@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : MRCKB_HUMAN: (2015-10-14 )
MSAKVRLKKLEQLLLDGPWRNESALSVETLLDVLVCLYTECSHSALRRDKYVAEFLEWAKPFTQLVKEMQLHREDFEIIKVIGRGAFGEVAVVKMKNTERIYAMKILNKWEMLKRAETACFREERDVLVNGDCQWITALHYAFQDENHLYLVMDYYVGGDLLTLLSKFEDKLPEDMARFYIGEMVLAIDSIHQLHYVHRDIKPDNVLLDVNGHIRLADFGSCLKMNDDGTVQSSVAVGTPDYISPEILQAMEDGMGKYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHEERFQFPSHVTDVSEEAKDLIQRLICSRERRLGQNGIEDFKKHAFFEGLNWENIRNLEAPYIPDVSSPSDTSNFDVDDDVLRNTEILPPGSHTGFSGLHLPFIGFTFTTESCFSDRGSLKSIMQSNTLTKDEDVQRDLEHSLQMEAYERRIRRLEQEKLELSRKLQESTQTVQSLHGSSRALSNSNRDKEIKKLNEEIERLKNKIADSNRLERQLEDTVALRQEREDSTQRLRGLEKQHRVVRQEKEELHKQLVEASERLKSQAKELKDAHQQRKLALQEFSELNERMAELRAQKQKVSRQLRDKEEEMEVATQKVDAMRQEMRRAEKLRKELEAQLDDAVAEASKERKLREHSENFCKQMESELEALKVKQGGRGAGATLEHQQEISKIKSELEKKVLFYEEELVRREASHVLEVKNVKKEVHDSESHQLALQKEILMLKDKLEKSKRERHNEMEEAVGTIKDKYERERAMLFDENKKLTAENEKLCSFVDKLTAQNRQLEDELQDLAAKKESVAHWEAQIAEIIQWVSDEKDARGYLQALASKMTEELEALRSSSLGSRTLDPLWKVRRSQKLDMSARLELQSALEAEIRAKQLVQEELRKVKDANLTLESKLKDSEAKNRELLEEMEILKKKMEEKFRADTGLKLPDFQDSIFEYFNTAPLAHDLTFRTSSASEQETQAPKPEASPSMSVAASEQQEDMARPPQRPSAVPLPTTQALALAGPKPKAHQFSIKSFSSPTQCSHCTSLMVGLIRQGYACEVCSFACHVSCKDGAPQVCPIPPEQSKRPLGVDVQRGIGTAYKGHVKVPKPTGVKKGWQRAYAVVCDCKLFLYDLPEGKSTQPGVIASQVLDLRDDEFSVSSVLASDVIHATRRDIPCIFRVTASLLGAPSKTSSLLILTENENEKRKWVGILEGLQSILHKNRLRNQVVHVPLEAYDSSLPLIKAILTAAIVDADRIAVGLEEGLYVIEVTRDVIVRAADCKKVHQIELAPREKIVILLCGRNHHVHLYPWSSLDGAEGSFDIKLPETKGCQLMATATLKRNSGTCLFVAVKRLILCYEIQRTKPFHRKFNEIVAPGSVQCLAVLRDRLCVGYPSGFCLLSIQGDGQPLNLVNPNDPSLAFLSQQSFDALCAVELESEEYLLCFSHMGLYVDPQGRRARAQELMWPAAPVACSCSPTHVTVYSEYGVDVFDVRTMEWVQTIGLRRIRPLNSEGTLNLLNCEPPRLIYFKSKFSGAVLNVPDTSDNSKKQMLRTRSKRRFVFKVPEEERLQQRREMLRDPELRSKMISNPTNFNHVAHMGPGDGMQVLMDLPLSAVPPSQEERPGPAPTNLARQPPSRNKPYISWPSSGGSEPSVTVPLRSMSDPDQDFDKEPDSDSTKHSTPSNSSNPSGPPSPNSPHRSQLPLEGLEQPACDT
Atome Classification :
(72 SA)
.........10........20.........30........40........50........60........70........80........90....---....100.......110...-....120.......-130.......140.......150.......160.......170.......180.......190-.-......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320...-..-..--.--330-......---..340..--.....350..--.......360.......370.......380.......390....--.----..400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580.......590.......600.......610.......620.......630.......640.......650.......660.......670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850.......860.......870.......880.......890.......900.......910.......920.......930.......940.......950.......960.......970.......980.......990.......1000......1010......1020......1030......1040......1050......1060......1070......1080......1090......1100......1110......1120......1130......1140......1150......1160......1170......1180......1190......1200......1210......1220......1230......1240......1250......1260......1270......1280......1290......1300......1310......1320......1330......1340......1350......1360......1370......1380......1390......1400......1410......1420......1430......1440......1450......1460......1470......1480......1490......1500......1510......1520......1530......1540......1550......1560......1570......1580......1590......1600......1610......1620......1630......1640......1650......1660......1670......1680......1690......1700......1710
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSA
K
V
R
L
K
K
L
E
Q
L
L
LDGPWR-NESAL
S
V
E
T
L
L
D
V
L
V
C
L
Y
T
EC
S
H
S
A
L
R
R
D
K
Y
V
A
E
F
L
E
W
A
K
P
F
T
Q
L
V
K
E
M
Q
L
H
R
E
D
F
E
I
I
K
V
I
GRGAFG
E
V
A
V
V
K
M---KNT
E
R
I
Y
A
M
K
I
L
N
K
W
E
M
L
K
R
-
A
E
T
A
C
F
R
EER
D
V
L
V-NGD
C
Q
W
I
T
A
L
H
Y
AFQDEN
H
L
Y
L
V
M
DYYVG
G
D
L
L
T
L
L
S
K
F
E
D
K
L
P
E
D
M
A
R
F
Y
I
G
E
M
V
L
A
I
D
S
I
H
-
Q
-
L
H
Y
V
H
RDIKPD
N
V
L
L
DVNG
H
I
R
L
ADF
G
S
C
L
KMNDDG
T
V
QS
S
V
AVGTPDYI
S
P
E
I
L
Q
A
M
E
D
G
M
GKYGPEC
D
W
W
S
L
G
V
C
M
Y
E
M
LYGETP
F
Y
A
E
S
L
V
E
T
Y
G
K
IM
N
H
E
E
R
FQFPSHV
T
D
V
S
E
E
A
K
D
L
I
Q
R
L
I
-
C
S
R
-
E
R
-RL--G--QN--
G
I
E
D
F
K
---
K
H
A
FFEG--L
N
W
E
NI--RN--LEAPYIPDVSSPSDTSNFDV
D
D
D
V
LRNTEILPPGSHTGFSG
L
H
L
--
P
----
F
I
G
F
T
FT
T
E
S
C
FSD
R
G
S
L
K
S
I
M
Q
SNTLT
K
D
E
D
V
Q
R
D
L
E
H
S
L
Q
M
E
A
Y
E
R
R
I
R
R
L
E
Q
E
K
L
E
L
S
R
K
L
Q
E
S
T
Q
T
V
Q
S
L
HGSSRALSNSN
R
D
K
E
I
K
K
L
N
E
E
I
E
R
L
K
N
KIA
D
S
N
R
L
E
R
Q
L
E
D
T
V
A
L
R
Q
ERE
D
S
T
Q
R
L
R
G
L
E
K
Q
H
R
V
V
R
Q
E
K
E
E
L
H
K
Q
L
V
E
A
S
E
R
L
K
S
Q
A
K
E
L
K
D
A
H
Q
Q
R
K
L
A
L
Q
E
F
S
E
L
N
E
R
M
A
E
L
R
A
Q
K
Q
K
V
S
R
Q
L
R
D
K
E
E
E
M
E
V
A
T
Q
K
V
D
A
M
R
Q
E
M
R
R
A
E
K
L
R
K
E
L
E
A
Q
L
D
D
A
V
A
E
A
S
K
E
R
K
L
R
E
H
S
E
N
F
C
K
Q
M
E
S
E
L
E
A
L
K
VKQGGRGAGA
T
L
E
H
Q
Q
E
I
S
K
I
K
S
E
L
E
K
K
V
L
F
Y
E
E
E
L
V
R
R
E
A
S
H
V
L
E
V
K
N
V
K
K
E
VHDSE
S
H
Q
L
A
L
Q
K
E
I
L
M
L
K
D
K
L
E
K
S
K
R
E
R
H
N
E
M
E
E
A
V
G
T
I
K
D
K
Y
E
R
E
R
A
M
LFDENKKLTA
E
N
E
K
L
C
S
F
V
D
K
L
TAQN
R
Q
L
E
D
E
L
Q
D
L
A
A
K
K
E
S
V
A
H
W
E
A
Q
I
A
E
I
I
Q
W
VSDE
K
D
A
R
G
Y
L
Q
A
L
A
S
K
M
T
E
E
L
E
A
L
R
SSSLGSR
T
L
D
P
L
W
K
V
R
R
SQKL
D
M
S
A
R
L
E
L
Q
S
A
L
E
A
E
I
R
A
K
Q
L
V
Q
E
E
L
R
K
V
KDAN
L
T
L
ESKLKDSEAK
N
R
E
L
L
E
E
M
E
I
L
K
K
K
M
E
E
K
FRADTGLKLPD
F
Q
D
S
I
F
E
Y
FNTAPLAH
D
L
T
FRTSSASEQETQAPKPEASPSMSVAA
S
E
Q
Q
E
D
MARPPQRPSAVPLPTT
Q
A
L
ALAGPKPKA
H
Q
F
S
IKSFSSPTQ
C
S
H
C
T
S
L
M
V
G
L
I
RQGY
A
C
E
V
C
S
F
A
C
H
V
S
CKDGAPQVCPIPPEQSKRPLGV
D
V
Q
RGIGTAYKGHVKVPKPT
G
V
K
K
G
W
Q
R
A
Y
A
V
V
C
D
C
K
L
F
L
Y
DLPEGKSTQP
G
V
I
A
S
Q
V
L
DLRDDEF
S
V
S
S
V
L
A
S
D
V
I
H
A
T
RRDI
P
C
I
F
R
V
T
A
S
L
LGAPSKT
S
S
L
L
I
L
TENEN
E
K
R
K
W
V
G
I
L
E
G
L
Q
S
I
L
H
K
N
R
LRNQ
V
V
H
V
P
L
E
AYDSS
L
P
L
I
K
A
I
L
T
A
A
I
V
D
A
D
R
I
A
V
G
L
EE
G
L
Y
V
I
E
V
T
R
D
V
I
V
R
A
ADC
K
K
V
H
Q
I
ELAPR
E
K
I
V
I
L
L
CGRN
H
H
V
H
L
Y
PWSSLDGAEG
S
F
D
I
KLPETKG
C
Q
L
M
A
T
A
T
L
KRNSGT
C
L
F
V
A
V
K
R
L
I
L
C
Y
EIQRT
K
P
F
H
R
K
F
N
E
IVAPG
S
V
Q
C
L
A
V
L
R
D
R
LCVGYPS
G
F
C
L
L
S
IQGDGQ
P
L
N
L
VNPNDP
S
L
A
F
L
SQQSF
D
A
L
C
A
V
E
LESE
E
Y
L
L
C
F
S
HM
G
L
Y
VDPQG
R
R
A
R
A
Q
E
LMWPAAPVACSCSP
T
H
V
T
V
Y
SEYG
V
D
V
F
D
V
R
T
M
E
W
V
Q
T
IGLRRIRPLNSEG
T
L
N
L
LNCEP
P
R
L
I
Y
F
KSKFS
G
A
V
L
NVPDTSD
N
S
K
K
Q
M
L
R
T
RSKR
R
F
V
F
KVP
E
E
E
R
L
Q
Q
R
R
E
M
LR
D
P
E
L
R
S
K
MISNPTNFNHVAHMGPG
D
G
M
Q
V
L
M
DLPLSAVPPSQEERPGPAPTNLARQPPSRNK
P
Y
I
SWPSSGGSEP
S
V
T
V
PLRSMSDPDQDFDKEPDSDSTKHSTPSNSSNPSGPPSPNSPHRSQLPLEGLEQPACDT
3
PsiBlast_PDB
97.26
100%
-94
- C2 -
4UAL
2
MRCKB_HUMAN
A:
[4-419]
-
S
A
K
V
R
L
K
K
L
E
Q
L
L
L
D
G
P
W
R
-
N
E
S
A
L
S
V
E
T
L
L
D
V
L
V
C
L
Y
T
E
C
S
H
S
A
L
R
R
D
K
Y
V
A
E
F
L
E
W
A
K
P
F
T
Q
L
V
K
E
M
Q
L
H
R
E
D
F
E
I
I
K
V
I
G
R
G
A
F
G
E
V
A
V
V
K
M
---
K
N
T
E
R
I
Y
A
M
K
I
L
N
K
W
E
M
L
K
R
-
A
E
T
A
C
F
R
E
E
R
D
V
L
V
-
N
G
D
C
Q
W
I
T
A
L
H
Y
A
F
Q
D
E
N
H
L
Y
L
V
M
D
Y
Y
V
G
G
D
L
L
T
L
L
S
K
F
E
D
K
L
P
E
D
M
A
R
F
Y
I
G
E
M
V
L
A
I
D
S
I
H
-
Q
-
L
H
Y
V
H
R
D
I
K
P
D
N
V
L
L
D
V
N
G
H
I
R
L
A
D
F
G
S
C
L
K
M
N
D
D
G
T
V
---
V
A
V
G
T
P
D
Y
I
S
P
E
I
L
Q
A
M
E
D
--
G
K
Y
G
P
E
C
D
W
W
S
L
G
V
C
M
Y
E
M
L
Y
G
E
T
P
F
Y
A
E
S
L
V
E
T
Y
G
K
I
M
N
H
E
E
R
F
Q
F
P
S
H
V
T
D
V
S
E
E
A
K
D
L
I
Q
R
L
I
-
C
S
R
-
E
R
-
R
L
--
G
--
Q
N
--
G
I
E
D
F
K
---
K
H
A
F
F
E
G
--
L
N
W
E
N
I
--
R
N
--
L
E
A
P
Y
I
P
D
V
S
S
P
S
D
T
S
N
F
D
V
---------
I
L
P
P
--
H
T
G
F
S
G
L
H
L
--
P
----
F
I
G
F
T
F
T
T
E
S
C
F
S
D
R
G
S
L
K
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
97.04
100%
-93
- C2 -
4UAK
2
MRCKB_HUMAN
A:
[4-419]
-
S
A
K
V
R
L
K
K
L
E
Q
L
L
L
D
G
P
W
R
-
N
E
S
A
L
S
V
E
T
L
L
D
V
L
V
C
L
Y
T
E
C
S
H
S
A
L
R
R
D
K
Y
V
A
E
F
L
E
W
A
K
P
F
T
Q
L
V
K
E
M
Q
L
H
R
E
D
F
E
I
I
K
V
I
G
R
G
A
F
G
E
V
A
V
V
K
M
---
K
N
T
E
R
I
Y
A
M
K
I
L
N
K
W
E
M
L
K
R
-
A
E
T
A
C
F
R
E
E
R
D
V
L
V
-
N
G
D
C
Q
W
I
T
A
L
H
Y
A
F
Q
D
E
N
H
L
Y
L
V
M
D
Y
Y
V
G
G
D
L
L
T
L
L
S
K
F
E
D
K
L
P
E
D
M
A
R
F
Y
I
G
E
M
V
L
A
I
D
S
I
H
-
Q
-
L
H
Y
V
H
R
D
I
K
P
D
N
V
L
L
D
V
N
G
H
I
R
L
A
D
F
G
S
C
L
K
M
N
D
D
G
T
V
Q
S
S
V
A
V
G
T
P
D
Y
I
S
P
E
I
L
Q
A
M
E
D
G
M
G
K
Y
G
P
E
C
D
W
W
S
L
G
V
C
M
Y
E
M
L
Y
G
E
T
P
F
Y
A
E
S
L
V
E
T
Y
G
K
I
M
N
H
E
E
R
F
Q
F
P
S
H
V
T
D
V
S
E
E
A
K
D
L
I
Q
R
L
I
-
C
S
R
-
E
R
-
R
L
--
G
--
Q
N
--
G
I
E
D
F
K
---
K
H
A
F
F
E
G
--
L
N
W
E
N
I
--
R
N
--
L
E
A
P
Y
I
P
D
V
S
S
P
S
D
T
S
N
F
D
---------------
S
H
T
G
F
S
G
L
H
L
--
P
----
F
I
G
F
T
F
T
T
E
S
C
F
S
D
R
G
S
L
K
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
95.38
100%
-89
- C2 -
3TKU
3
MRCKB_HUMAN
B:
[18-431]
-
S
A
K
V
R
L
K
K
L
E
Q
L
L
L
D
G
P
W
R
-
N
E
S
A
L
S
V
E
T
L
L
D
V
L
V
C
L
Y
T
E
C
S
H
S
A
L
R
R
D
K
Y
V
A
E
F
L
E
W
A
K
P
F
T
Q
L
V
K
E
M
Q
L
H
R
E
D
F
E
I
I
K
V
I
G
R
G
A
F
G
E
V
A
V
V
K
M
---
K
N
T
E
R
I
Y
A
M
K
I
L
N
K
W
E
M
L
K
R
-
A
E
T
A
C
F
R
E
E
R
D
V
L
V
-
N
G
D
C
Q
W
I
T
A
L
H
Y
A
F
Q
D
E
N
H
L
Y
L
V
M
D
Y
Y
V
G
G
D
L
L
T
L
L
S
K
F
E
D
K
L
P
E
D
M
A
R
F
Y
I
G
E
M
V
L
A
I
D
S
I
H
-
Q
-
L
H
Y
V
H
R
D
I
K
P
D
N
V
L
L
D
V
N
G
H
I
R
L
A
D
F
G
S
C
L
K
M
N
D
D
G
T
V
Q
S
S
V
A
V
G
T
P
D
Y
I
S
P
E
I
L
Q
A
M
E
D
G
M
G
K
Y
G
P
E
C
D
W
W
S
L
G
V
C
M
Y
E
M
L
Y
G
E
T
P
F
Y
A
E
S
L
V
E
T
Y
G
K
I
M
N
H
E
E
R
F
Q
F
P
S
H
V
T
D
V
S
E
E
A
K
D
L
I
Q
R
L
I
-
C
S
R
-
E
R
-
R
L
--
G
--
Q
N
--
G
I
E
D
F
K
---
K
H
A
F
F
E
G
--
L
N
W
E
N
I
--
R
N
--
L
E
A
P
Y
I
P
D
V
S
S
P
S
D
T
S
N
F
D
-------------------
F
S
G
L
H
L
--
P
----
F
I
G
F
T
F
T
T
E
S
C
F
S
D
R
G
S
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
94.96
100%
-85
- C2 -
3TKU
3
MRCKB_HUMAN
A:
[18-431]
-
S
A
K
V
R
L
K
K
L
E
Q
L
L
L
D
G
P
W
R
-
N
E
S
A
L
S
V
E
T
L
L
D
V
L
V
C
L
Y
T
E
C
S
H
S
A
L
R
R
D
K
Y
V
A
E
F
L
E
W
A
K
P
F
T
Q
L
V
K
E
M
Q
L
H
R
E
D
F
E
I
I
K
V
I
G
R
G
A
F
G
E
V
A
V
V
K
M
---
K
N
T
E
R
I
Y
A
M
K
I
L
N
K
W
E
M
L
K
R
-
A
E
T
A
C
F
R
E
E
R
D
V
L
V
-
N
G
D
C
Q
W
I
T
A
L
H
Y
A
F
Q
D
E
N
H
L
Y
L
V
M
D
Y
Y
V
G
G
D
L
L
T
L
L
S
K
F
E
D
K
L
P
E
D
M
A
R
F
Y
I
G
E
M
V
L
A
I
D
S
I
H
-
Q
-
L
H
Y
V
H
R
D
I
K
P
D
N
V
L
L
D
V
N
G
H
I
R
L
A
D
F
G
S
C
L
K
M
N
D
D
G
T
V
Q
S
S
V
A
V
G
T
P
D
Y
I
S
P
E
I
L
Q
A
M
E
D
G
M
G
K
Y
G
P
E
C
D
W
W
S
L
G
V
C
M
Y
E
M
L
Y
G
E
T
P
F
Y
A
E
S
L
V
E
T
Y
G
K
I
M
N
H
E
E
R
F
Q
F
P
S
H
V
T
D
V
S
E
E
A
K
D
L
I
Q
R
L
I
-
C
S
R
-
E
R
-
R
L
--
G
--
Q
N
--
G
I
E
D
F
K
---
K
H
A
F
F
E
G
--
L
N
W
E
N
I
--
R
N
--
L
E
A
P
Y
I
P
D
V
S
S
P
S
D
T
S
N
F
D
V
-------------------
S
G
L
H
L
--
P
----
F
I
G
F
T
F
T
T
E
S
C
F
S
D
R
G
S
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
93.37
100%
-88
- C2 -
3QFV
2
MRCKB_HUMAN
A:
[2-415]
-
S
A
K
V
R
L
K
K
L
E
Q
L
L
L
D
G
P
W
R
-
N
E
S
A
L
S
V
E
T
L
L
D
V
L
V
C
L
Y
T
E
C
S
H
S
A
L
R
R
D
K
Y
V
A
E
F
L
E
W
A
K
P
F
T
Q
L
V
K
E
M
Q
L
H
R
E
D
F
E
I
I
K
V
I
G
R
G
A
F
G
E
V
A
V
V
K
M
---
K
N
T
E
R
I
Y
A
M
K
I
L
N
K
W
E
M
L
K
R
-
A
E
T
A
C
F
R
E
E
R
D
V
L
V
-
N
G
D
C
Q
W
I
T
A
L
H
Y
A
F
Q
D
E
N
H
L
Y
L
V
M
D
Y
Y
V
G
G
D
L
L
T
L
L
S
K
F
E
D
K
L
P
E
D
M
A
R
F
Y
I
G
E
M
V
L
A
I
D
S
I
H
-
Q
-
L
H
Y
V
H
R
D
I
K
P
D
N
V
L
L
D
V
N
G
H
I
R
L
A
D
F
G
S
C
L
K
M
N
D
D
G
T
V
Q
S
S
V
A
V
G
T
P
D
Y
I
S
P
E
I
L
Q
A
M
E
D
G
M
G
K
Y
G
P
E
C
D
W
W
S
L
G
V
C
M
Y
E
M
L
Y
G
E
T
P
F
Y
A
E
S
L
V
E
T
Y
G
K
I
M
N
H
E
E
R
F
Q
F
P
S
H
V
T
D
V
S
E
E
A
K
D
L
I
Q
R
L
I
-
C
S
R
-
E
R
-
R
L
--
G
--
Q
N
--
G
I
E
D
F
K
---
K
H
A
F
F
E
G
--
L
N
W
E
N
I
--
R
N
--
L
E
A
P
Y
I
P
D
V
S
S
P
S
D
T
S
N
F
D
V
-------------------
S
G
L
H
L
--
P
----
F
I
G
F
T
F
T
T
E
S
C
F
S
D
R
G
S
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
93.21
100%
-88
- C2 -
3QFV
3
MRCKB_HUMAN
B:
[2-415]
-
S
A
K
V
R
L
K
K
L
E
Q
L
L
L
D
G
P
W
R
-
N
E
S
A
L
S
V
E
T
L
L
D
V
L
V
C
L
Y
T
E
C
S
H
S
A
L
R
R
D
K
Y
V
A
E
F
L
E
W
A
K
P
F
T
Q
L
V
K
E
M
Q
L
H
R
E
D
F
E
I
I
K
V
I
G
R
G
A
F
G
E
V
A
V
V
K
M
---
K
N
T
E
R
I
Y
A
M
K
I
L
N
K
W
E
M
L
K
R
-
A
E
T
A
C
F
R
E
E
R
D
V
L
V
-
N
G
D
C
Q
W
I
T
A
L
H
Y
A
F
Q
D
E
N
H
L
Y
L
V
M
D
Y
Y
V
G
G
D
L
L
T
L
L
S
K
F
E
D
K
L
P
E
D
M
A
R
F
Y
I
G
E
M
V
L
A
I
D
S
I
H
-
Q
-
L
H
Y
V
H
R
D
I
K
P
D
N
V
L
L
D
V
N
G
H
I
R
L
A
D
F
G
S
C
L
K
M
N
D
D
G
T
V
Q
S
S
V
A
V
G
T
P
D
Y
I
S
P
E
I
L
Q
A
M
E
D
G
M
G
K
Y
G
P
E
C
D
W
W
S
L
G
V
C
M
Y
E
M
L
Y
G
E
T
P
F
Y
A
E
S
L
V
E
T
Y
G
K
I
M
N
H
E
E
R
F
Q
F
P
S
H
V
T
D
V
S
E
E
A
K
D
L
I
Q
R
L
I
-
C
S
R
-
E
R
-
R
L
--
G
--
Q
N
--
G
I
E
D
F
K
---
K
H
A
F
F
E
G
--
L
N
W
E
N
I
--
R
N
--
L
E
A
P
Y
I
P
D
V
S
S
P
S
D
T
S
N
F
D
------------------
G
F
S
G
L
H
L
--
P
----
F
I
G
F
T
F
T
T
E
S
C
F
S
D
R
G
S
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
92.56
78%
-89
- C2 -
4AW2
5
MRCKA_RAT
A:
[1-416]
-
S
G
E
V
R
L
R
Q
L
E
Q
F
I
L
D
G
P
A
Q
T
N
G
Q
C
F
S
V
E
T
L
L
D
I
L
I
C
L
Y
D
E
C
N
N
S
P
L
R
R
E
K
N
I
L
E
Y
L
E
W
A
K
P
F
T
S
K
V
K
Q
M
R
L
H
R
E
D
F
E
I
L
K
V
I
G
R
G
A
F
G
E
V
A
V
V
K
L
---
K
N
A
D
K
V
F
A
M
K
I
L
N
K
W
E
M
L
K
R
-
A
E
T
A
C
F
R
E
E
R
D
V
L
V
-
N
G
D
S
K
W
I
T
T
L
H
Y
A
F
Q
D
D
N
N
L
Y
L
V
M
D
Y
Y
V
G
G
D
L
L
T
L
L
S
K
F
E
D
R
L
P
E
E
M
A
R
F
Y
L
A
E
M
V
I
A
I
D
S
V
H
-
Q
-
L
H
Y
V
H
R
D
I
K
P
D
N
I
L
M
D
M
N
G
H
I
R
L
A
D
F
G
S
C
L
K
L
M
E
D
G
T
V
Q
S
S
V
A
V
G
T
P
D
Y
I
S
P
E
I
L
Q
A
M
E
G
G
K
G
R
Y
G
P
E
C
D
W
W
S
L
G
V
C
M
Y
E
M
L
Y
G
E
T
P
F
Y
A
E
S
L
V
E
T
Y
G
K
I
M
N
H
K
E
R
F
Q
F
P
T
Q
V
T
D
V
S
E
N
A
K
D
L
I
R
R
L
I
-
C
S
R
-
E
H
-
R
L
--
G
--
Q
N
--
G
I
E
D
F
K
---
K
H
P
F
F
S
G
--
I
D
W
D
N
I
--
R
N
--
C
E
A
P
Y
I
P
E
V
S
S
P
T
D
T
S
N
F
D
V
D
------------------
S
G
H
H
L
--
P
----
F
V
G
F
T
Y
T
S
S
C
V
L
S
D
R
S
C
L
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
78.59
47%
-83
- C2 -
4YVC
1
ROCK1_HUMAN
A:
[6-405]
-
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
------
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
-------
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
R
R
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
75.00
47%
-80
- C2 -
2H9V
1
ROCK2_BOVIN
A:
[11-400]
-----
R
Q
R
K
L
E
A
L
I
R
D
-----
P
R
S
P
I
N
V
E
S
L
L
D
G
L
N
S
L
V
L
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
N
R
Y
E
K
I
V
K
K
I
R
G
L
Q
M
K
A
E
D
Y
D
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
A
S
Q
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
C
A
F
Q
D
D
K
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
K
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
L
I
H
R
D
V
K
P
D
N
M
L
L
D
K
H
G
H
L
K
L
A
D
F
G
T
C
M
K
M
D
E
T
G
M
V
H
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
F
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
D
H
K
N
S
L
C
F
P
E
D
-
A
E
I
S
K
H
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
Q
H
P
F
F
K
N
DQ
W
N
W
D
N
I
--
R
E
--
T
A
A
P
V
V
P
E
L
S
S
D
I
D
S
S
N
F
D
D
I
E
------------
I
P
K
A
F
V
G
N
Q
L
--
P
----
F
I
G
F
T
Y
Y
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
74.91
47%
-82
- C2 -
2F2U
1
ROCK2_BOVIN
B:
[12-400]
------
Q
R
K
L
E
A
L
I
R
D
-----
P
R
S
P
I
N
V
E
S
L
L
D
G
L
N
S
L
V
L
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
N
R
Y
E
K
I
V
K
K
I
R
G
L
Q
M
K
A
E
D
Y
D
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
A
S
Q
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
C
A
F
Q
D
D
K
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
K
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
L
I
H
R
D
V
K
P
D
N
M
L
L
D
K
H
G
H
L
K
L
A
D
F
G
T
C
M
K
M
D
E
T
G
M
V
H
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
F
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
D
H
K
N
S
L
C
F
P
E
D
-
A
E
I
S
K
H
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
Q
H
P
F
F
K
N
DQ
W
N
W
D
N
I
--
R
E
--
T
A
A
P
V
V
P
E
L
S
S
D
I
D
S
S
N
F
D
D
I
--------
T
F
P
--
I
P
K
A
F
V
G
N
Q
L
--
P
----
F
I
G
F
T
Y
Y
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
74.50
47%
-81
- C2 -
2ESM
1
ROCK1_HUMAN
A:
[6-405]
-
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
R
R
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
74.47
47%
-85
- C2 -
5BML
1
ROCK1_HUMAN
A:
[6-405]
-
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
---
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
-----
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
R
R
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
74.41
47%
-87
- C2 -
2F2U
1
ROCK2_BOVIN
A:
[12-400]
------
Q
R
K
L
E
A
L
I
R
D
-----
P
R
S
P
I
N
V
E
S
L
L
D
G
L
N
S
L
V
L
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
N
R
Y
E
K
I
V
K
K
I
R
G
L
Q
M
K
A
E
D
Y
D
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
A
S
Q
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
C
A
F
Q
D
D
K
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
K
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
L
I
H
R
D
V
K
P
D
N
M
L
L
D
K
H
G
H
L
K
L
A
D
F
G
T
C
M
K
M
D
E
T
G
M
V
H
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
F
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
D
H
K
N
S
L
C
F
P
E
D
-
A
E
I
S
K
H
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
Q
H
P
F
F
K
N
DQ
W
N
W
D
N
I
--
R
E
--
T
A
A
P
V
V
P
E
L
S
S
D
I
D
S
S
N
F
D
D
I
E
-----
V
E
T
F
P
--
I
P
K
A
F
V
G
N
Q
L
--
P
----
F
I
G
F
T
Y
Y
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
74.32
47%
-80
- C2 -
2ETR
1
ROCK1_HUMAN
B:
[5-402]
M
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
74.06
47%
-84
- C2 -
5BML
1
ROCK1_HUMAN
B:
[5-402]
M
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
---
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
73.69
47%
-88
- C2 -
4L6Q
1
ROCK2_HUMAN
A:
[12-400]
------
Q
R
K
L
E
A
L
I
R
D
-----
P
R
S
P
I
N
V
E
S
L
L
D
G
L
N
S
L
V
L
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
N
R
Y
E
K
I
V
K
K
I
R
G
L
Q
M
K
A
E
D
Y
D
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
A
S
Q
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
K
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
L
I
H
R
D
V
K
P
D
N
M
L
L
D
K
H
G
H
L
K
L
A
D
F
G
T
C
M
K
M
D
E
T
G
M
V
H
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
F
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
D
H
K
N
S
L
C
F
P
E
D
-
A
E
I
S
K
H
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
R
---
Q
H
P
F
F
K
N
DQ
W
H
W
D
N
I
--
R
E
--
T
A
A
P
V
V
P
E
L
S
S
D
I
D
S
S
N
F
D
D
I
E
D
D
---
V
E
T
F
P
--
I
P
K
A
F
V
G
N
Q
L
--
P
----
F
I
G
F
T
Y
Y
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
73.68
47%
-85
- C2 -
4YVE
1
ROCK1_HUMAN
A:
[6-405]
-
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-----
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
------
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
R
R
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
73.54
47%
-83
- C2 -
4YVC
1
ROCK1_HUMAN
B:
[5-402]
M
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
------
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
73.01
47%
-83
- C2 -
3D9V
1
ROCK1_HUMAN
A:
[6-405]
-
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
R
R
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
72.98
47%
-83
- C2 -
2ETR
1
ROCK1_HUMAN
A:
[6-405]
-
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
R
R
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
72.91
47%
-82
- C2 -
4L6Q
1
ROCK2_HUMAN
B:
[12-400]
------
Q
R
K
L
E
A
L
I
R
D
-----
P
R
S
P
I
N
V
E
S
L
L
D
G
L
N
S
L
V
L
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
N
R
Y
E
K
I
V
K
K
I
R
G
L
Q
M
K
A
E
D
Y
D
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
A
S
Q
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
K
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
L
I
H
R
D
V
K
P
D
N
M
L
L
D
K
H
G
H
L
K
L
A
D
F
G
T
C
M
K
M
D
E
T
G
M
V
H
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
F
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
D
H
K
N
S
L
C
F
P
E
D
-
A
E
I
S
K
H
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
R
---
Q
H
P
F
F
K
N
DQ
W
H
W
D
N
I
--
R
E
--
T
A
A
P
V
V
P
E
L
S
S
D
I
D
S
S
N
F
D
D
I
E
D
D
---
V
E
T
F
P
--
I
P
K
A
F
V
G
N
Q
L
--
P
----
F
I
G
F
T
Y
Y
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
72.77
47%
-82
- C2 -
2ETK
1
ROCK1_HUMAN
B:
[5-402]
M
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
72.63
47%
-82
- C2 -
3D9V
1
ROCK1_HUMAN
B:
[5-402]
M
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
72.05
47%
-81
- C2 -
2ESM
1
ROCK1_HUMAN
B:
[5-402]
M
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
71.57
47%
-83
- C2 -
2ETK
1
ROCK1_HUMAN
A:
[6-405]
-
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
R
R
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
70.55
47%
-83
- C2 -
4YVE
1
ROCK1_HUMAN
B:
[5-402]
M
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
-----
E
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
-----
Y
S
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
69.45
48%
-80
- C2 -
2V55
1
ROCK1_HUMAN
A:
[6-401]
-
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
-----
K
S
E
V
N
S
D
C
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
-
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
-
S
-
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
D
-
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
-
T
D
R
-
E
V
-
R
L
--
G
--
R
N
--
G
V
E
E
I
K
---
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
--
R
D
--
T
V
A
P
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
------
E
E
T
F
P
I
P
K
--
A
F
V
G
N
Q
L
--
P
----
F
V
G
F
T
Y
Y
S
N
R
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
88
PsiBlast_CBE
63.36
35%
-68
- C2 -
4EKK
1
AKT1_HUMAN
A:
[5-338]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
S
E
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
---------------
S
--
E
R
R
P
H
F
P
Q
F
D
Y
S
A
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
85
PsiBlast_CBE
62.72
35%
-73
- C2 -
4GV1
5
AKT1_HUMAN
A:
[4-337]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
S
E
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
T
I
T
P
-----
S
M
E
C
V
D
S
--
E
RRPH
F
P
Q
F
D
Y
S
A
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
75
PsiBlast_CBE
62.31
36%
-70
- C2 -
2X39
1
AKT2_HUMAN
A:
[6-340]
----------------------------------------------------------------------
K
V
T
M
N
D
F
D
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
R
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
A
K
-
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
-
N
T
R
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
-
S
-
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
R
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
P
S
D
A
K
E
V
M
---
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
--
L
L
P
P
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
-
D
E
F
T
A
Q
S
I
T
---------------QE
M
----
F
E
D
F
D
Y
I
A
D
W
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
94
PsiBlast_CBE
62.27
35%
-71
- C2 -
3OCB
1
AKT1_HUMAN
B:
[5-339]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
SE
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
YE
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
T
I
T
----------------RPH-
F
P
Q
F
D
Y
S
A
S
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
96
PsiBlast_CBE
61.91
35%
-71
* C2 *
3MVH
1
AKT1_HUMAN
A:
[7-338]
-----------------------------------------------------------------------
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
S
E
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
---------------------RPH-
F
P
Q
F
D
Y
S
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
61.84
37%
-74
- C2 -
2F7E
1
KAPCA_BOVIN
E:
[40-329]
------------------------------------------------------------------------
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
---
M
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
-
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
-
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
-
S
-
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
R
V
K
G
----
R
T
W
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
--
L
S
K
G
---
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
G
K
V
R
--
F
P
S
H
---
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
-
T
K
-
R
F
--
G
NL
K
N
--
G
V
N
D
I
K
---
N
H
K
W
F
A
T
--
T
D
W
I
A
I
YQ
R
K
--
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
92
PsiBlast_CBE
61.76
35%
-73
- C2 -
3OW4
1
AKT1_HUMAN
B:
[5-339]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
SE
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
YE
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
T
------------------RPH-
F
P
Q
F
D
Y
S
A
S
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
90
PsiBlast_CBE
61.29
35%
-71
- C2 -
3QKL
1
AKT1_HUMAN
A:
[5-339]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
SE
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
T
------------------RPH-
F
P
Q
F
D
Y
S
A
S
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
87
PsiBlast_CBE
61.22
35%
-68
- C2 -
4EKK
1
AKT1_HUMAN
B:
[5-338]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
SE
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
YE
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
---------------
S
--
E
RRPH
F
P
Q
F
D
Y
S
A
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
97
PsiBlast_CBE
60.95
35%
-68
- C2 -
3MV5
1
AKT1_HUMAN
A:
[6-339]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
S
E
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
-------------------RPH-
F
P
Q
F
D
Y
S
A
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
93
PsiBlast_CBE
60.81
35%
-69
- C2 -
3OW4
1
AKT1_HUMAN
A:
[5-339]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
S
E
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
T
------------------
R
P
H
-
F
P
Q
F
D
Y
S
A
S
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
98
PsiBlast_CBE
60.62
35%
-71
- C2 -
3CQW
1
AKT1_HUMAN
A:
[6-340]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
S
E
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
------------------
E
R
R
P
H
F
P
Q
F
D
Y
S
A
S
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
60.15
37%
-74
- C2 -
2OJF
1
KAPCA_BOVIN
E:
[40-329]
------------------------------------------------------------------------
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
---
M
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
-
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
-
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
-
S
-
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
R
V
K
G
----
R
T
W
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
--
L
S
K
G
---
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
G
K
V
R
--
F
P
S
H
---
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
-
T
K
-
R
F
--
G
NL
K
N
--
G
V
N
D
I
K
---
N
H
K
W
F
A
T
--
T
D
W
I
A
I
YQ
R
K
--
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
95
PsiBlast_CBE
60.13
35%
-69
- C2 -
3OCB
1
AKT1_HUMAN
A:
[5-339]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
S
E
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
--------------------
R
P
H
-
F
P
Q
F
D
Y
S
A
S
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
89
PsiBlast_CBE
60.10
35%
-67
- C2 -
3QKM
1
AKT1_HUMAN
A:
[5-339]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
S
E
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
T
I
T
P
-----
S
M
E
C
V
D
S
--
E
RRPH
F
P
Q
F
D
Y
S
A
S
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
78
PsiBlast_CBE
59.97
36%
-68
- C2 -
2JDO
2
AKT2_HUMAN
A:
[6-340]
----------------------------------------------------------------------
K
V
T
M
N
D
F
D
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
R
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
A
K
-
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
-
N
T
R
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
-
S
-
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
R
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
P
S
D
A
K
E
V
M
---
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
--
L
L
P
P
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
-
D
E
F
T
A
Q
S
I
T
-----------------
M
----
F
E
D
F
D
Y
I
A
D
W
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
91
PsiBlast_CBE
59.93
35%
-69
- C2 -
3QKK
1
AKT1_HUMAN
A:
[5-339]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
S
E
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
T
I
--------
M
E
C
V
D
S
--
E
RRPH
F
P
Q
F
D
Y
S
A
S
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
59.72
36%
-80
- C2 -
2UZT
1
KAPCA_BOVIN
A:
[25-314]
------------------------------------------------------------------------
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
---
M
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
-
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
-
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
-
S
-
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
R
V
K
G
----
R
T
W
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
--
L
S
K
G
---
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
G
K
V
R
--
F
P
S
H
---
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
-
T
K
-
R
F
--
G
NL
K
D
--
G
V
N
D
I
K
---
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
80
PsiBlast_CBE
59.58
36%
-68
- C2 -
1O6K
1
AKT2_HUMAN
A:
[1-333]
----------------------------------------------------------------------
K
V
T
M
N
D
F
D
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
R
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
A
K
-
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
-
N
T
R
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
-
S
-
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
R
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
PS
D
A
K
E
V
M
---
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
--
L
L
P
P
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
-
D
E
F
T
A
Q
S
I
T
------------------QRTH
F
P
Q
F
D
Y
S
A
S
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
82
PsiBlast_CBE
59.50
36%
-70
- C2 -
3E8D
1
AKT2_HUMAN
B:
[1-333]
----------------------------------------------------------------------
K
V
T
M
N
D
F
D
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
R
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
A
K
-
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
-
N
T
R
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
-
S
-
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
R
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
PS
D
A
K
E
V
M
---
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
VQ
K
K
--
L
L
P
P
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
--
D
E
F
T
A
Q
S
I
------------------QRTH
F
P
Q
F
D
Y
S
A
S
I
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
59.42
37%
-73
- C2 -
2F7X
1
KAPCA_BOVIN
E:
[40-329]
------------------------------------------------------------------------
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
---
M
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
-
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
-
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
-
S
-
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
R
V
K
G
----
R
T
W
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
--
L
S
K
G
---
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
G
K
V
R
--
F
P
S
H
---
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
-
T
K
-
R
F
--
G
NL
K
N
--
G
V
N
D
I
K
---
N
H
K
W
F
A
T
--
T
D
W
I
A
I
YQ
R
K
--
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
83
PsiBlast_CBE
59.10
36%
-70
- C2 -
3E8D
1
AKT2_HUMAN
A:
[1-333]
----------------------------------------------------------------------
K
V
T
M
N
D
F
D
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
R
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
A
K
-
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
-
N
T
R
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
-
S
-
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
R
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
PS
D
A
K
E
V
M
---
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
--
L
L
P
P
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
--
D
E
F
T
A
Q
S
I
T
-----------------H---
F
P
Q
F
D
Y
S
A
S
I
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
81
PsiBlast_CBE
59.03
34%
-65
- C2 -
4L46
1
KS6B1_HUMAN
A:
[14-346]
----------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
VTG
A
N
T
G
K
I
F
A
M
K
V
L
K
K
A
M
I
V
R
N
A
K
D
T
A
H
T
K
A
E
R
N
I
L
E
-
E
V
K
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
-
E
R
E
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
-
Q
-
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
G
H
V
K
L
T
D
F
G
L
C
K
E
S
I
H
D
----
H
T
-
F
C
G
T
I
E
Y
M
A
P
E
I
L
M
R
-----
S
G
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
P
F
T
G
E
N
R
K
K
T
I
D
K
I
L
K
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
-
K
R
N
-
A
A
S
R
L
GA
G
--
P
G
--
D
A
G
E
V
Q
---
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
E
P
P
F
K
P
L
---
E
E
D
V
S
Q
F
D
S
--
K
F
T
R
Q
T
P
V
-------------
Q
--
V
----
F
L
G
F
T
Y
V
A
P
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
77
PsiBlast_CBE
59.00
36%
-66
- C2 -
2JDR
1
AKT2_HUMAN
A:
[6-340]
----------------------------------------------------------------------
K
V
T
M
N
D
F
D
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
R
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
A
K
-
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
-
N
T
R
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
-
S
-
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
R
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
PS
D
A
K
E
V
M
---
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
--
L
L
P
P
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
-
D
E
F
T
A
Q
S
I
T
---------------QE
M
----
F
E
D
F
D
Y
I
A
D
W
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
79
PsiBlast_CBE
58.82
36%
-67
- C2 -
1O6L
1
AKT2_HUMAN
A:
[1-335]
----------------------------------------------------------------------
K
V
T
M
N
D
F
D
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
R
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
A
K
-
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
-
N
T
R
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
-
S
-
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
R
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
PS
D
A
K
E
V
M
---
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
--
L
L
P
P
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
-
D
E
F
T
A
Q
S
I
T
---------------QE
M
----
F
E
D
F
D
Y
I
A
D
W
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
58.63
38%
-71
- C2 -
2R5T
1
SGK1_HUMAN
A:
[39-320]
---------------------------------------------------------------------------
D
F
H
F
L
K
V
I
G
K
G
S
F
G
K
V
L
L
A
R
H
---
K
A
E
E
V
F
Y
A
V
K
V
L
Q
K
K
A
I
L
--------------
V
L
L
K
N
V
K
H
P
F
L
V
G
L
H
F
S
F
Q
T
A
D
K
L
Y
F
V
L
D
Y
I
N
G
G
E
L
F
Y
H
L
Q
R
-
E
R
C
F
L
E
P
R
A
R
F
Y
A
A
E
I
A
S
A
L
G
Y
L
H
-
S
-
L
N
I
V
Y
R
D
L
K
P
E
N
I
L
L
D
S
Q
G
H
I
V
L
T
D
F
G
L
C
-
K
E
N
I
E
H
N
S
T
T
S
T
F
C
G
T
P
E
Y
L
A
P
E
V
L
H
K
Q
-----
P
Y
D
R
T
V
D
W
W
C
L
G
A
V
L
Y
E
M
L
Y
G
L
P
P
F
Y
S
R
N
T
A
E
M
Y
D
N
I
L
N
K
P
L
Q
L
K
-----
P
N
I
T
N
S
A
R
H
L
L
E
G
L
L
Q
K
D
R
-
T
K
-
R
L
--
G
A-
K
D
--
D
F
M
E
I
K
---
S
H
V
F
F
S
L
--
I
N
W
D
D
L
--
I
N
KK
I
T
P
P
F
N
P
N
V
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
58.57
36%
-74
- C2 -
2UZU
1
KAPCA_BOVIN
E:
[25-314]
------------------------------------------------------------------------
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
---
M
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
-
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
-
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
-
S
-
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
R
V
K
G
----
R
T
W
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
--
L
S
K
G
---
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
G
K
V
R
--
F
P
S
H
---
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
-
T
K
-
R
F
--
G
NL
K
D
--
G
V
N
D
I
K
---
N
H
K
W
F
A
T
--
T
D
W
I
A
I
YQ
R
K
--
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
76
PsiBlast_CBE
58.51
36%
-67
- C2 -
2UW9
1
AKT2_HUMAN
A:
[6-340]
----------------------------------------------------------------------
K
V
T
M
N
D
F
D
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
R
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
A
K
-
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
-
N
T
R
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
-
S
-
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
R
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
P
S
D
A
K
E
V
M
---
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
--
L
L
P
P
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
-
D
E
F
T
A
Q
S
I
T
---------------QE
M
----
F
E
D
F
D
Y
I
A
D
W
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
58.38
36%
-74
- C2 -
2UZW
1
KAPCA_BOVIN
E:
[25-314]
------------------------------------------------------------------------
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
---
M
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
-
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
-
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
-
S
-
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
R
V
K
G
----
R
T
W
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
--
L
S
K
G
---
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
G
K
V
R
--
F
P
S
H
---
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
-
T
K
-
R
F
--
G
NL
K
D
--
G
V
N
D
I
K
---
N
H
K
W
F
A
T
--
T
D
W
I
A
I
YQ
R
K
--
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
102
PsiBlast_CBE
58.16
34%
-69
- C2 -
3WF9
2
KS6B1_HUMAN
A:
[15-302]
----------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
VTG
A
N
T
G
K
I
F
A
M
K
V
L
K
K
A
M
I
V
R
N
A
K
D
T
A
H
T
K
A
E
R
N
I
L
E
-
E
V
K
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
-
E
R
E
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
-
Q
-
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
G
H
V
K
L
T
D
F
G
L
C
K
E
S
I
H
D
G
T
V
T
H
T
-
F
C
G
T
I
E
Y
M
A
P
E
I
L
M
R
-----
S
G
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
P
F
T
G
E
N
R
K
K
T
I
D
K
I
L
K
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
-
K
R
N
-
A
A
S
R
L
GA
G
--
P
G
--
D
A
G
E
V
Q
---
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
E
P
P
F
K
P
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
86
PsiBlast_CBE
57.98
35%
-69
- C2 -
4EKL
1
AKT1_HUMAN
A:
[5-339]
----------------------------------------------------------------------
R
V
T
M
N
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
K
-
D
E
V
A
H
T
L
T
E
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
-
S
E
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
S
E
D
A
K
E
I
M
---
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
D
-
E
E
F
T
A
Q
M
I
T
I
T
P
-----
S
M
E
C
V
D
S
--
E
RRPH
F
P
Q
F
D
Y
S
A
S
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
57.67
38%
-70
- C2 -
3HDM
1
SGK1_HUMAN
A:
[39-320]
---------------------------------------------------------------------------
D
F
H
F
L
K
V
I
G
K
G
S
F
G
K
V
L
L
A
R
H
---
K
A
E
E
V
F
Y
A
V
K
V
L
Q
K
K
A
I
L
--------------
V
L
L
K
N
V
K
H
P
F
L
V
G
L
H
F
S
F
Q
T
A
D
K
L
Y
F
V
L
D
Y
I
N
G
G
E
L
F
Y
H
L
Q
R
-
E
R
C
F
L
E
P
R
A
R
F
Y
A
A
E
I
A
S
A
L
G
Y
L
H
-
S
-
L
N
I
V
Y
R
D
L
K
P
E
N
I
L
L
D
S
Q
G
H
I
V
L
T
D
F
G
L
C
-
K
E
N
I
E
H
N
S
T
T
S
T
F
C
G
T
P
E
Y
L
A
P
E
V
L
H
K
Q
-----
P
Y
D
R
T
V
D
W
W
C
L
G
A
V
L
Y
E
M
L
Y
G
L
P
P
F
Y
S
R
N
T
A
E
M
Y
D
N
I
L
N
K
P
L
Q
L
K
-----
P
N
I
T
N
S
A
R
H
L
L
E
G
L
L
Q
K
D
R
-
T
K
-
R
L
--
G
A-
K
D
--
D
F
M
E
I
K
---
S
H
V
F
F
S
L
--
I
N
W
D
D
L
--
I
N
KK
I
T
P
P
F
N
P
N
V
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
57.63
40%
-65
- C2 -
4EJN
3
AKT1_HUMAN
A:
[149-438]
---------------------------------------------------------------------------
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
--------------
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
S
E
-
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
K
-----
K
T
F
C
-
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
P
-----
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
P
K
Q
-
R
L
--
G
---
G
--
G
S
E
D
A
K
E
I
M
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
T
S
E
T
D
T
R
Y
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
57.53
34%
-65
- C2 -
4L44
1
KS6B1_HUMAN
A:
[14-346]
----------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
VTG
A
N
T
G
K
I
F
A
M
K
V
L
K
K
A
M
I
V
R
N
A
K
D
T
A
H
T
K
A
E
R
N
I
L
E
-
E
V
K
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
-
E
R
E
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
-
Q
-
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
G
H
V
K
L
T
D
F
G
L
C
K
E
S
I
H
-----
H
T
-
F
C
G
T
I
E
Y
M
A
P
E
I
L
M
R
-----
S
G
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
P
F
T
G
E
N
R
K
K
T
I
D
K
I
L
K
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
-
K
R
N
-
A
A
S
R
L
GA
G
--
P
G
--
D
A
G
E
V
Q
---
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
E
P
P
F
K
P
L
L
Q
S
E
E
D
V
S
Q
-
D
S
--
K
F
T
R
Q
T
----------
S
E
S
A
N
Q
--
V
----
F
L
G
F
A
Y
V
A
P
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
PsiBlast_CBE
57.34
36%
-66
- C2 -
2XH5
1
AKT2_HUMAN
A:
[6-340]
----------------------------------------------------------------------
K
V
T
M
N
D
F
D
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
R
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
A
K
-
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
-
N
T
R
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
-
S
-
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
K
T
-
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
R
L
F
E
L
I
L
M
E
E
I
R
F
-----
P
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
-
K
K
D
-
P
K
Q
R
L
--
G
--
G
G
P
S
D
A
K
E
V
M
---
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
VQ
K
K
--
L
L
P
P
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
-
D
E
F
T
A
Q
S
I
T
---------------QE
M
----
F
E
D
F
D
Y
I
A
D
W
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
73
PsiBlast_CBE
57.02
34%
-66
- C2 -
4L43
1
KS6B1_HUMAN
A:
[14-346]
----------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
VTG
A
N
T
G
K
I
F
A
M
K
V
L
K
K
A
M
I
V
R
N
A
K
D
T
A
H
T
K
A
E
R
N
I
L
E
-
E
V
K
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
-
E
R
E
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
-
Q
-
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
G
H
V
K
L
T
D
F
G
L
C
K
E
S
------------
G
T
I
E
Y
M
A
P
E
I
L
M
R
-----
S
G
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
P
F
T
G
E
N
R
K
K
T
I
D
K
I
L
K
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
-
K
R
N
-
A
A
S
R
L
GA
G
--
P
G
--
D
A
G
E
V
Q
---
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
E
P
P
F
K
P
L
L
Q
S
E
E
D
V
S
Q
F
D
S
--
K
F
T
R
Q
T
P
V
----------
S
A
N
Q
--
V
----
F
L
G
F
A
Y
V
A
P
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
PsiBlast_CBE
56.47
37%
-77
- C2 -
2OH0
1
KAPCA_BOVIN
E:
[40-329]
------------------------------------------------------------------------
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
---
M
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
-
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
-
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
-
S
-
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
R
V
K
G
----
R
T
W
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
--
L
S
K
G
---
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
G
K
V
R
--
F
P
S
H
---
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
-
T
K
-
R
F
--
G
NL
K
N
--
G
V
N
D
I
K
---
N
H
K
W
F
A
T
--
T
D
W
I
A
I
YQ
R
K
--
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
84
PsiBlast_CBE
56.08
33%
-69
- C2 -
4L42
1
KS6B1_HUMAN
A:
[14-344]
----------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
VTG
A
N
T
G
K
I
F
A
M
K
V
L
K
K
A
M
I
V
R
N
A
K
D
T
A
H
T
K
A
E
R
N
I
L
E
-
E
V
K
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
-
E
R
E
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
-
Q
-
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
G
H
V
K
L
T
D
F
G
L
C
K
E
S
I
H
D
G
T
V
T
H
T
-
F
C
G
T
I
E
Y
M
A
P
E
I
L
M
R
-----
S
G
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
P
F
T
G
E
N
R
K
K
T
I
D
K
I
L
K
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
-
K
R
N
-
A
A
S
R
L
GA
G
--
P
G
--
D
A
G
E
V
Q
---
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
E
P
P
F
K
-------------------------------------
E
--
M
----
F
R
D
F
E
Y
I
A
D
W
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
56.06
37%
-77
- C2 -
2F7Z
1
KAPCA_BOVIN
E:
[40-329]
------------------------------------------------------------------------
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
---
M
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
-
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
-
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
-
S
-
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
R
V
K
G
----
R
T
W
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
--
L
S
K
G
---
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
G
K
V
R
--
F
P
S
H
---
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
-
T
K
-
R
F
--
G
NL
K
N
--
G
V
N
D
I
K
---
N
H
K
W
F
A
T
--
T
D
W
I
A
I
YQ
R
K
--
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
55.94
36%
-69
- C2 -
2UZV
1
KAPCA_BOVIN
A:
[25-314]
------------------------------------------------------------------------
H
L
D
Q
F
E
R
I
K
T
L
G
T
G
S
F
G
R
V
M
L
V
K
H
---
M
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
K
L
-
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
-
A
V
N
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
-
S
-
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
G
Y
I
Q
V
T
D
F
G
F
A
K
R
V
K
G
----
R
T
W
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
--
L
S
K
G
---
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
P
F
F
A
D
Q
P
I
Q
I
Y
E
K
I
V
S
G
K
V
R
--
F
P
S
H
---
F
S
S
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
-
T
K
-
R
F
--
G
NL
K
D
--
G
V
N
D
I
K
---
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
N
E
K
C
G
K
E
F
S
E
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
101
PsiBlast_CBE
55.38
34%
-67
- C2 -
3A60
1
KS6B1_HUMAN
A:
[13-299]
----------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
V
T
G
A
N
T
G
K
I
F
A
M
K
V
L
K
K
A
M
-----------
K
A
E
R
N
I
L
E
-
E
V
K
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
-
E
R
E
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
-
Q
-
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
G
H
V
K
L
T
D
F
G
L
C
K
E
--------------
T
I
E
Y
M
A
P
E
I
L
M
R
-----
S
G
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
P
F
T
G
E
N
R
K
K
T
I
D
K
I
L
K
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
-
K
R
N
-
A
A
S
R
L
GA
G
--
P
G
--
D
A
G
E
V
Q
---
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
E
P
P
F
K
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
53.46
40%
-67
- C2 -
3O96
1
AKT1_HUMAN
A:
[152-432]
---------------------------------------------------------------------------
E
F
E
Y
L
K
L
L
G
K
G
T
F
G
K
V
I
L
V
K
E
---
K
A
T
G
R
Y
Y
A
M
K
I
L
K
K
E
V
I
V
A
-----------
N
R
V
L
Q
-
N
S
R
H
P
F
L
T
A
L
K
Y
S
F
Q
T
H
D
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
-
E
R
V
F
S
E
D
R
A
R
F
Y
G
A
E
I
V
S
A
L
D
Y
L
H
S
E
-
K
N
V
V
Y
R
D
L
K
L
E
N
L
M
L
D
K
D
G
H
I
K
I
T
D
F
G
L
C
K
E
---------------
P
E
Y
L
A
P
E
V
L
E
D
N
D
-----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
P
F
Y
N
Q
D
H
E
K
L
F
E
L
I
L
M
E
E
I
R
F
P
-----
R
T
L
G
P
E
A
K
S
L
L
S
G
L
L
-
K
K
D
P
K
Q
-
R
L
--
G
---
G
--
G
S
E
D
A
K
E
I
M
Q
H
R
F
F
A
G
--
I
V
W
Q
H
V
Y
E
K
K
--
L
S
P
P
F
K
P
Q
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
53.01
38%
-65
- C2 -
3HDN
1
SGK1_HUMAN
A:
[39-316]
---------------------------------------------------------------------------
D
F
H
F
L
K
V
I
G
K
G
S
F
G
K
V
L
L
A
R
H
---
K
A
E
E
V
F
Y
A
V
K
V
L
Q
K
K
A
I
L
--------------
V
L
L
K
N
V
K
H
P
F
L
V
G
L
H
F
S
F
Q
T
A
D
K
L
Y
F
V
L
D
Y
I
N
G
G
E
L
F
Y
H
L
Q
R
-
E
R
C
F
L
E
P
R
A
R
F
Y
A
A
E
I
A
S
A
L
G
Y
L
H
-
S
-
L
N
I
V
Y
R
D
L
K
P
E
N
I
L
L
D
S
Q
G
H
I
V
L
T
D
F
G
L
C
-
K
E
N
I
E
H
N
S
T
T
S
T
F
C
G
T
P
E
Y
L
A
P
E
V
L
H
K
Q
-----
P
Y
D
R
T
V
D
W
W
C
L
G
A
V
L
Y
E
M
L
Y
G
L
P
P
F
Y
S
R
N
T
A
E
M
Y
D
N
I
L
N
K
P
L
Q
L
K
-----
P
N
I
T
N
S
A
R
H
L
L
E
G
L
L
Q
K
D
R
-
T
K
-
R
L
--
G
A-
K
D
--
D
F
M
E
I
K
---
S
H
V
F
F
S
L
--
I
N
W
D
D
L
--
I
N
KK
I
T
P
P
F
N
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
99
PsiBlast_CBE
52.08
34%
-69
- C2 -
3A61
1
KS6B1_HUMAN
A:
[15-299]
------------------------------------------------------------------------
R
P
E
C
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
V
T
G
A
N
T
G
K
I
F
A
M
K
V
L
K
---------------
A
E
R
N
I
L
E
-
E
V
K
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
-
E
R
E
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
-
Q
-
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
G
H
V
K
L
T
D
F
G
-----------------
G
T
I
E
Y
M
A
P
E
I
L
M
R
-----
S
G
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
P
F
T
G
E
N
R
K
K
T
I
D
K
I
L
K
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
-
K
R
N
-
A
A
S
R
L
GA
G
--
P
G
--
D
A
G
E
V
Q
---
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
E
P
P
F
K
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
100
PsiBlast_CBE
47.73
34%
-69
- C2 -
3A60
1
KS6B1_HUMAN
B:
[13-300]
----------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
VTG
A
N
T
G
K
I
F
A
M
K
V
L
K
K
------------------------
K
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
-
E
R
E
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
-
Q
-
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
G
H
V
K
L
T
D
F
G
L
C
K
E
S
-----------
C
G
T
I
E
Y
M
A
P
E
I
L
M
R
-----
S
G
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
P
F
T
G
E
N
R
K
K
T
I
D
K
I
L
K
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
-
K
R
N
-
A
A
S
R
L
GA
G
--
P
G
--
D
A
G
E
V
Q
---
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
E
P
P
F
K
P
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------