@TOME V2.3
(Nov 2016)
Ref.
-
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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 : ROCK2_HUMAN: (2015-10-18 )
MSRPPPTGKMPGAPETAPGDGAGASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGFYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPVVPELSSDIDSSNFDDIEDDKGDVETFPIPKAFVGNQLPFIGFTYYRENLLLSDSPSCRETDSIQSRKNEESQEIQKKLYTLEEHLSNEMQAKEELEQKCKSVNTRLEKTAKELEEEITLRKSVESALRQLEREKALLQHKNAEYQRKADHEADKKRNLENDVNSLKDQLEDLKKRNQNSQISTEKVNQLQRQLDETNALLRTESDTAARLRKTQAESSKQIQQLESNNRDLQDKNCLLETAKLKLEKEFINLQSALESERRDRTHGSEIINDLQGRICGLEEDLKNGKILLAKVELEKRQLQERFTDLEKEKSNMEIDMTYQLKVIQQSLEQEEAEHKATKARLADKNKIYESIEEAKSEAMKEMEKKLLEERTLKQKVENLLLEAEKRCSLLDCDLKQSQQKINELLKQKDVLNEDVRNLTLKIEQETQKRCLTQNDLKMQTQQVNTLKMSEKQLKQENNHLMEMKMNLEKQNAELRKERQDADGQMKELQDQLEAEQYFSTLYKTQVRELKEECEEKTKLGKELQQKKQELQDERDSLAAQLEITLTKADSEQLARSIAEEQYSDLEKEKIMKELEIKEMMARHKQELTEKDATIASLEETNRTLTSDVANLANEKEELNNKLKDVQEQLSRLKDEEISAAAIKAQFEKQLLTERTLKTQAVNKLAEIMNRKEPVKRGNDTDVRRKEKENRKLHMELKSEREKLTQQMIKYQKELNEMQAQIAEESQIRIELQMTLDSKDSDIEQLRSQLQALHIGLDSSSIGSGPGDAEADDGFPESRLEGWLSLPVRNNTKKFGWVKKYVIVSSKKILFYDSEQDKEQSNPYMVLDIDKLFHVRPVTQTDVYRADAKEIPRIFQILYANEGESKKEQEFPVEPVGEKSNYICHKGHEFIPTLYHFPTNCEACMKPLWHMFKPPPALECRRCHIKCHKDHMDKKEEIIAPCKVYYDISTAKNLLLLANSTEEQQKWVSRLVKKIPKKPPAPDPFARSSPRTSMKIQQNQSIRRPSRQLAPNKPS
Atome Classification :
(38 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.....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSRPPPTGKMPGAPETAPGDGAG
A
S
R
Q
R
K
L
E
A
L
I
RDP----RSPI
N
-----
V
E
S
L
L
D
G
L
N
S
L
V
LDLD
F
P
A
LRKNK
N
I
D
N
F
L
N
R
Y
E
K
I
V
K
K
I
RGLQMKAED
Y
D
V
V
K
V
I
GRGAFG
E
V
Q
L
V
R
H
KASQ
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
KRSDS
A
F
F
W
EER
D
I
M
AFA-NS
P
W
V
V
Q
L
F
Y
A
FQDD
R
Y
L
Y
M
V
M
E
YMPG
G
D
L
V
-
N
L
M
SNYD--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
IHRDVKPD
N
M
L
LDKHG
H
L
K
L
ADFGTCMKMDET
G
M
V
H
CDTAVGTPDYI
S
P
E
V
L
KS-QGGDGFYGREC
D
W
W
S
V
G
V
F
L
Y
E
M
L
VGDTPF
Y
A
D
S
L
V
G
T
Y
S
K
I
M
DHKNSLCFP-E
D
A
-
E
I
S
K
H
A
K
N
L
I
C
AFL-T-DR
E
V
RLG---R
N
G
--
V
E
E
I
R
QHPFFKNDQWHWD
N
I
R
E
TAAPVV
P
E
L
SSDIDSSNFDDIEDDKGDVETFPI
P
K
--
A
F
VGNQLPFI
G
F
T
Y
Y
R
ENLLLSDSPSCRE
T
D
S
I
Q
SRKN
E
E
S
Q
E
I
Q
K
K
L
Y
T
L
E
E
H
L
S
N
E
M
Q
A
K
E
E
L
E
Q
K
C
K
S
V
N
T
R
L
E
K
T
A
K
E
L
E
E
E
I
T
L
R
K
S
V
E
S
A
L
R
Q
L
E
R
E
K
A
L
L
Q
HKN
A
E
Y
Q
RKADH
E
A
D
K
KR
N
L
E
N
D
V
N
S
L
K
D
Q
L
E
D
L
K
KRNQNSQI
S
T
E
K
V
N
Q
L
Q
R
Q
L
D
E
T
N
A
L
L
RTES
D
T
A
A
R
L
R
K
TQ
A
E
S
S
K
Q
I
Q
Q
L
ESNNRDLQ
D
K
N
C
L
L
E
T
A
K
L
K
L
E
K
E
F
I
N
L
Q
S
A
L
E
S
E
RRDRTH
G
S
E
I
I
N
D
L
Q
G
RICG
L
E
E
DLKN
G
K
I
L
L
A
K
V
E
L
E
K
R
Q
L
Q
E
R
F
T
D
L
E
K
EKSN
M
E
I
D
M
T
Y
Q
L
K
V
I
Q
Q
S
L
E
Q
E
E
A
E
H
K
A
T
K
A
RLA
D
K
N
K
I
Y
E
S
I
E
E
A
K
S
E
A
M
K
E
M
E
K
K
L
L
E
E
R
T
L
K
Q
K
V
E
N
L
L
L
E
A
E
K
RCSLLDC
D
L
K
Q
S
Q
Q
K
I
N
E
L
L
K
Q
K
D
V
L
N
E
D
V
R
N
L
T
L
K
I
E
Q
E
T
Q
K
RCLTQNDL
K
M
Q
T
Q
QV
N
T
L
K
M
S
E
K
Q
L
K
Q
ENNH
L
M
E
M
K
MN
L
E
K
Q
N
A
E
L
R
K
E
RQDADG
Q
M
K
E
L
Q
D
Q
L
E
A
E
Q
Y
F
S
T
L
Y
K
T
Q
V
R
E
L
K
E
E
C
E
E
K
T
K
L
G
K
E
L
Q
Q
K
K
Q
E
L
Q
D
E
R
D
S
L
A
A
Q
L
E
I
T
L
TKA
D
S
E
Q
L
A
R
S
I
A
E
E
Q
Y
S
D
L
E
K
E
K
I
M
K
E
L
E
I
K
E
M
M
A
R
H
K
Q
E
L
T
EKDAT
I
A
S
L
E
E
TN
R
T
L
T
S
D
V
A
N
L
A
N
E
K
E
E
L
N
N
K
L
K
D
V
Q
E
Q
L
S
R
L
K
D
EEI
S
A
A
A
I
K
A
Q
F
E
K
Q
L
L
T
E
RT
L
K
T
Q
A
V
N
K
L
A
E
I
MNRKEPVKRGND
T
D
V
R
R
K
E
KEN
R
K
L
H
M
E
L
K
S
E
R
E
K
L
T
Q
Q
M
I
K
Y
Q
K
E
L
N
E
M
Q
A
Q
IAEE
S
Q
I
R
I
E
L
Q
M
T
LDSKD
S
D
I
E
Q
L
R
S
Q
L
Q
A
L
HIGLDSSSIGSGPGDAEADDGF
P
E
S
R
L
E
G
W
LSLPVRNNT
K
K
F
G
W
V
K
K
Y
V
I
V
SS
K
K
I
L
F
YDSEQDKEQSNP
Y
M
V
L
D
I
D
K
L
F
HVRPVT
Q
T
D
V
YRA
D
A
K
E
I
P
R
I
F
Q
I
L
YANEGESKKEQEFPVEPVGEKS
N
Y
I
C
HKGHEF
I
P
T
L
YHFPT
N
C
E
A
C
M
K
P
L
W
H
MFKPPP
A
L
E
C
R
R
C
H
I
K
CHKDHMD
K
K
E
E
IIA
P
C
K
V
Y
Y
D
ISTAK
N
L
L
L
L
ANS
T
E
E
Q
Q
K
W
V
S
R
L
V
K
KIPKKPPAPDPFARSSPRT
S
M
K
I
QQNQSIRRP
S
R
QLAPNKPS
21
PsiBlast_CBE
66.09
99%
-89
- C2 -
4L6Q
1
ROCK2_HUMAN
B:
[12-402]
--------------------------
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
D
Q
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
65.84
98%
-95
- C2 -
2F2U
1
ROCK2_BOVIN
A:
[12-402]
--------------------------
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
D
Q
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
65.43
99%
-95
- C2 -
4L6Q
1
ROCK2_HUMAN
A:
[12-402]
--------------------------
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
D
Q
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
64.63
98%
-85
- C2 -
2H9V
1
ROCK2_BOVIN
A:
[10-402]
------------------------
S
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
D
Q
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
64.41
83%
-88
- C2 -
4YVC
1
ROCK1_HUMAN
B:
[9-402]
------------------------
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
D
Q
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
64.10
83%
-86
- C2 -
2ETR
1
ROCK1_HUMAN
B:
[9-402]
------------------------
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
D
Q
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
63.96
98%
-90
- C2 -
2F2U
1
ROCK2_BOVIN
B:
[12-402]
--------------------------
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
D
Q
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
63.85
83%
-83
- C2 -
2ESM
1
ROCK1_HUMAN
A:
[9-405]
------------------------
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
D
Q
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
63.81
83%
-86
- C2 -
3D9V
1
ROCK1_HUMAN
B:
[9-402]
------------------------
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
D
Q
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
63.77
83%
-88
- C2 -
5BML
1
ROCK1_HUMAN
B:
[9-402]
------------------------
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
D
Q
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
63.66
83%
-87
- C2 -
4YVC
1
ROCK1_HUMAN
A:
[9-405]
------------------------
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
D
Q
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
63.64
83%
-87
- C2 -
2ETK
1
ROCK1_HUMAN
A:
[9-405]
------------------------
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
D
Q
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
63.62
83%
-89
- C2 -
5BML
1
ROCK1_HUMAN
A:
[9-405]
------------------------
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
D
Q
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
63.58
83%
-87
- C2 -
2ETK
1
ROCK1_HUMAN
B:
[9-402]
------------------------
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
D
Q
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
63.52
83%
-86
- C2 -
2ESM
1
ROCK1_HUMAN
B:
[9-402]
------------------------
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
D
Q
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
63.51
83%
-86
- C2 -
3D9V
1
ROCK1_HUMAN
A:
[9-405]
------------------------
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
D
Q
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
63.37
83%
-86
- C2 -
2ETR
1
ROCK1_HUMAN
A:
[9-405]
------------------------
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
D
Q
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
63.28
83%
-91
- C2 -
4YVE
1
ROCK1_HUMAN
A:
[9-405]
------------------------
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
D
Q
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
62.77
83%
-90
- C2 -
4YVE
1
ROCK1_HUMAN
B:
[9-402]
------------------------
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
D
Q
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
62.51
85%
-88
- C2 -
2V55
1
ROCK1_HUMAN
A:
[9-400]
------------------------
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
D
Q
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
59.80
46%
-88
- C2 -
4UAL
2
MRCKB_HUMAN
A:
[1-411]
------------------
G
G
S
S
A
K
V
R
L
K
K
L
E
Q
L
L
L
D
G
PWRN
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
DK
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
--HT
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
58.94
46%
-87
- C2 -
4UAK
2
MRCKB_HUMAN
A:
[1-411]
------------------
G
G
S
S
A
K
V
R
L
K
K
L
E
Q
L
L
L
D
G
PWRN
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
DK
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
HT
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
58.67
48%
-76
- 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
GQCFS
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
DR
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
58.18
47%
-85
- C2 -
3QFV
3
MRCKB_HUMAN
B:
[6-409]
-------------------------
R
L
K
K
L
E
Q
L
L
L
D
G
PWRN
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
DK
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
57.51
47%
-85
- C2 -
3QFV
2
MRCKB_HUMAN
A:
[6-409]
-------------------------
R
L
K
K
L
E
Q
L
L
L
D
G
PWRN
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
DK
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
57.40
46%
-85
- C2 -
3TKU
3
MRCKB_HUMAN
B:
[18-425]
---------------------
S
A
K
V
R
L
K
K
L
E
Q
L
L
L
D
G
PWRN
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
DK
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
57.03
46%
-82
- C2 -
3TKU
3
MRCKB_HUMAN
A:
[18-425]
---------------------
S
A
K
V
R
L
K
K
L
E
Q
L
L
L
D
G
PWRN
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
DK
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
44.75
34%
-61
- C2 -
2OH0
1
KAPCA_BOVIN
E:
[25-334]
-----------------------------------------------------------------------------
E
D
F
L
K
K
W
E
N
P
A
Q
N
T
A
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
N
L
----
K
N
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
PsiBlast_CBE
44.25
34%
-57
- C2 -
2F7X
1
KAPCA_BOVIN
E:
[25-334]
-----------------------------------------------------------------------------
E
D
F
L
K
K
W
E
N
P
A
Q
N
T
A
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
N
L
----
K
N
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
44.21
34%
-57
- C2 -
2F7E
1
KAPCA_BOVIN
E:
[25-334]
-----------------------------------------------------------------------------
E
D
F
L
K
K
W
E
N
P
A
Q
N
T
A
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
N
L
----
K
N
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
43.55
34%
-57
- C2 -
2OJF
1
KAPCA_BOVIN
E:
[25-334]
-----------------------------------------------------------------------------
E
D
F
L
K
K
W
E
N
P
A
Q
N
T
A
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
N
L
----
K
N
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
43.24
34%
-58
* C2 *
2UZW
1
KAPCA_BOVIN
E:
[10-319]
-----------------------------------------------------------------------------
E
D
F
L
K
K
W
E
N
P
A
Q
N
T
A
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
N
L
----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
43.14
34%
-67
- C2 -
4EJN
3
AKT1_HUMAN
A:
[144-438]
----------------------------------------------------------------------------------------------
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
-------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
43.08
34%
-61
- C2 -
2UZT
1
KAPCA_BOVIN
A:
[10-319]
-----------------------------------------------------------------------------
E
D
F
L
K
K
W
E
N
P
A
Q
N
T
A
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
N
L
----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
43.03
34%
-56
- C2 -
2UZU
1
KAPCA_BOVIN
E:
[10-319]
-----------------------------------------------------------------------------
E
D
F
L
K
K
W
E
N
P
A
Q
N
T
A
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
N
L
----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
42.87
34%
-62
- C2 -
2F7Z
1
KAPCA_BOVIN
E:
[25-334]
-----------------------------------------------------------------------------
E
D
F
L
K
K
W
E
N
P
A
Q
N
T
A
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
N
L
----
K
N
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
41.17
37%
-60
- C2 -
3TXO
1
A:
[23-315]
--------------------------------------------------------------------------------------------------
D
N
F
E
F
I
R
V
L
G
K
G
S
F
G
K
V
M
L
A
R
V
K
E
T
G
D
L
Y
A
V
K
V
L
K
K
D
V
I
L
Q
D
D
D
V
E
C
T
M
T
E
K
R
I
L
S
L
A
R
N
H
P
F
L
T
Q
L
F
C
C
F
Q
T
P
D
R
L
F
F
V
M
E
F
V
N
G
G
D
L
M
F
H
I
Q
K
S
R
R
--
F
D
E
A
R
A
R
F
Y
A
A
E
I
I
S
A
L
M
F
L
H
D
-
K
G
I
I
Y
R
D
L
K
L
D
N
V
L
L
D
H
E
G
H
C
K
L
A
D
F
G
M
C
K
E
G
I
C
----------
G
T
P
D
Y
I
A
P
E
I
L
Q
E
-
M
----
L
Y
G
P
A
V
D
W
W
A
M
G
V
L
L
Y
E
M
L
C
G
H
A
P
F
E
A
E
N
E
D
D
L
F
E
A
I
L
N
--
D
E
V
V
Y
P
---
T
-
W
L
H
E
D
A
T
G
I
L
K
S
F
M
-
T
K
N
P
T
M
R
L
G
SLT
Q
G
G
--
E
H
A
I
L
R
H
P
F
F
K
E
I
D
W
A
Q
L
N
H
R
Q
I
E
P
P
F
R
P
R
I
K
S
R
E
D
V
S
N
F
D
P
D
F
I
K
E
E
P
V
L
T
P
I
D
E
G
--
H
L
P
M
I
N
Q
D
E
F
R
N
F
E
Y
V
S
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
32.81
34%
24
- C2 -
2UZV
1
KAPCA_BOVIN
A:
[10-319]
-----------------------------------------------------------------------------
E
D
F
L
K
K
W
E
N
P
A
Q
N
T
A
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
N
L
----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------