@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 : MAST1_HUMAN: (2015-10-13 )
MSDSLWTALSNFSMPSFPGGSMFRRTKSCRTSNRKSLILTSTSPTLPRPHSPLPGHLGSSPLDSPRNFSPNTPAHFSFASSRRADGRRWSLASLPSSGYGTNTPSSTVSSSCSSQERLHQLPYQPTVDELHFLSKHFGSTESITDEDGGRRSPAVRPRSRSLSPGRSPSSYDNEIVMMNHVYKERFPKATAQMEEKLRDFTRAYEPDSVLPLADGVLSFIHHQIIELARDCLTKSRDGLITTVYFYELQENLEKLLQDAYERSESLEVAFVTQLVKKLLIIISRPARLLECLEFNPEEFYHLLEAAEGHAKEGHLVKTDIPRYIIRQLGLTRDPFPDVVHLEEQDSGGSNTPEQDDLSEGRSSKAKKPPGENDFDTIKLISNGAYGAVYLVRHRDTRQRFAMKKINKQNLILRNQIQQAFVERDILTFAENPFVVGMFCSFETRRHLCMVMEYVEGGDCATLLKNIGALPVEMARMYFAETVLALEYLHNYGIVHRDLKPDNLLITSMGHIKLTDFGLSKMGLMSLTTNLYEGHIEKDAREFLDKQVCGTPEYIAPEVILRQGYGKPVDWWAMGIILYEFLVGCVPFFGDTPEELFGQVISDDILWPEGDEALPTEAQLLISSLLQTNPLVRLGAGGAFEVKQHSFFRDLDWTGLLRQKAEFIPHLESEDDTSYFDTRSDRYHHVNSYDEDDTTEEEPVEIRQFSSCSPRFSKVYSSMEQLSQHEPKTPVAAAGSSKREPSTKGPEEKVAGKREGLGGLTLREKTWRGGSPEIKRFSASEASFLEGEASPPLGARRRFSALLEPSRFSAPQEDEDEARLRRPPRPSSDPAGSLDARAPKEETQGEGTSSAGDSEATDRPRPGDLCPPSKDGDASGPRATNDLVLRRARHQQMSGDVAVEKRPSRTGGKVIKSASATALSVMIPAVDPHGSSPLASPMSPRSLSSNPSSRDSSPSRDYSPAVSGLRSPITIQRSGKKYGFTLRAIRVYMGDTDVYSVHHIVWHVEEGGPAQEAGLCAGDLITHVNGEPVHGMVHPEVVELILKSGNKVAVTTTPFENTSIRIGPARRSSYKAKMARRNKRPSAKEGQESKKRSSLFRKITKQSNLLHTSRSLSSLNRSLSSSDSLPGSPTHGLPARSPTHSYRSTPDSAYLGASSQSSSPASSTPNSPASSASHHIRPSTLHGLSPKLHRQYRSARCKSAGNIPLSPLAHTPSPTQASPPPLPGHTVGSSHTTQSFPAKLHSSPPVVRPRPKSAEPPRSPLLKRVQSAEKLGASLSADKKGALRKHSLEVGHPDFRKDFHGELALHSLAESDGETPPVEGLGAPRQVAVRRLGRQESPLSLGADPLLPEGASRPPVSSKEKESPGGAEACTPPRATTPGGRTLERDVGCTRHQSVQTEDGTGGMARAVAKAALSPVQEHETGRRSSSGEAGTPLVPIVVEPARPGAKAVVPQPLGADSKGLQEPAPLAPSVPEAPRGRERWVLEVVEERTTLSGPRSKPASPKLSPEPQTPSLAPAKCSAPSSAVTPVPPASLLGSGTKPQVGLTSRCPAEAVPPAGLTKKGVSSPAPPGP
Atome Classification :
(36 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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MS
D
S
L
W
T
A
L
S
NFSMPSFPG
G
S
M
F
R
R
T
K
SCRTSNR
K
S
L
I
L
TSTSPTLPRPHSPLPGHLGSSPLDSPRNFSPNTP
A
H
F
SFASSRRADGRRWSLASLPSSGYGTNTPS
S
T
V
S
SSC
S
S
Q
E
R
L
H
QLPYQP
T
V
D
E
L
H
F
L
S
K
HFGSTESITDEDGGRRSPAVRPRSRSLSPGRSPSSYD
N
E
I
V
M
M
N
H
V
Y
K
E
RFP
K
A
T
A
Q
M
E
E
K
L
R
D
F
T
R
AYEPDSVL
P
L
A
D
G
V
L
S
F
I
H
H
Q
I
I
E
L
A
R
D
C
L
TKSRDG
L
I
T
T
V
Y
F
Y
E
L
Q
E
N
L
E
K
L
L
Q
D
A
Y
E
R
SES
L
E
V
A
F
V
T
Q
L
V
K
K
L
L
I
I
ISR
P
A
R
L
L
E
C
LEF
N
P
E
E
F
Y
H
L
L
E
A
AEGHAKEG
H
L
VKTD
I
P
R
Y
I
I
R
QLGLTRDPFP
D
V
V
H
L
EEQDSGGSNTPE
Q
D
D
L
S
EGRSSKAKKPPGENDF
D
T
I
K
L
ISNGA
Y
G
A
V
Y
L
V
RHR---
D
T
R
Q
R
F
A
M
K
K
INKQ
N
L
I
L
-
R
N
Q
I
Q
Q
A
F
V
E
R
D
I
L
T
FA-EN
P
F
V
V
G
M
F
CS
F
E
T
R
R
H
L
C
M
V
M
E
Y
VEGG
D
C
A
T
L
L
K
NIGA
L
P
V
E
M
A
R
M
Y
F
A
E
T
V
L
A
L
E
Y
L
H
NYGIVHRDLKPD
N
L
L
I
T
SMG
H
I
K
L
TDFG----
L
S
KM
G
L
M
S
L
T
T
N
L
Y
EG
H
I
E
K
D
--------------
A
R
E
F
L
D
K
QVCGTPEYI
A
P
E
V
I
L
RQG----YGK
P
V
D
W
W
A
M
G
I
I
L
Y
E
F
L
V
G
C
VPFFGD
T
P
E
E
L
F
G
Q
V
I
--S--DDILWPEGDEALP
T
E
A
Q
L
L
I
S
S
L
LQTNP
L
V
R
LG--A--GG
A
F
E
V
K
Q
H
S
FFRD--L
D
W
T
--
G
L
L
R
Q
K
--
A
E
--FIPHLESEDDTSYFDTRSDRYHHVNSYDEDDTTEEEP
V
E
I
R
QFSSCS
P
R
F
S
K
V
Y
S
S
M
E
Q
L
S
QHEPKTPVAAAGSSKREPSTKG
P
E
E
K
VAGKREGLGGLTLREKTWRGGSPE
I
K
RFSASEASFLEGEASPPL
G
A
R
R
R
F
S
A
LLEPSRFSAPQED
E
D
E
A
RLRRPPRPSSDPAGSLDARAPKEETQGEGTSSAGDSEATDRPRPGDLCPPSKDGDASGPR
A
T
N
D
L
V
L
R
R
A
R
H
Q
QMSG
D
V
A
V
EKRPSRTG
G
K
V
I
KSASA
T
A
L
S
V
M
IPAVDPHGSSPLASPMSPRSLSSNPSSRDSSPSRDY
S
P
A
V
SGLRS
P
I
T
I
QRSGKKY
G
F
T
L
R
A
I
R
V
YMGDT
D
V
Y
S
V
H
H
I
V
W
H
VEEGGP
A
Q
E
AGL
C
A
G
D
L
I
THVNGEPVHGMV
H
P
E
V
V
E
L
I
L
KSG
N
K
V
A
V
T
TTPFEN
T
S
I
R
I
GPARR
S
S
Y
K
A
K
M
A
RRNKRPSAKE
G
Q
E
S
K
K
R
S
S
L
F
R
K
I
T
K
QSN
L
L
H
T
S
R
S
L
S
S
L
N
R
SLSSSDSLPGSPTHGLPARSPTHSYRSTPDS
A
Y
LGASSQSSSPASSTPNSPASSASHHIRPSTLHGL
S
P
K
L
H
R
Q
Y
R
S
A
RCKSAGNIPLSPLAHTPSPTQASPPPLPGHTVGSSHTTQS
F
P
A
KLHSSPPVVRPRPKSAEP
P
R
S
P
L
L
K
R
V
Q
S
A
E
K
LGASLSADKKGALRKHSLEVGH
P
D
F
R
K
D
F
H
G
E
L
A
L
H
S
L
A
ESDGETPPVEGLGA
P
R
Q
V
A
V
R
R
LGRQESPLSLGADPLLPEGASRPPVSSKEKESPGGAEACTPPRATTPGGR
T
L
E
R
DVGCTRHQSVQTEDGT
G
G
M
A
R
A
V
A
K
A
A
LS
P
V
Q
E
H
ETGRRSSSGEAGT
P
L
V
P
I
V
VEPARPGAKAVVPQPLGADSKGLQEPAPLAPSVPEAPRG
R
E
R
W
V
L
E
V
V
E
E
RTTLSGPRSKPASPKLSPEPQTPSLAPAKCSAPSSAVTPVP
P
A
S
LLGSGTKPQVGLTSRCPAEAVPPAGLTKKGVSSPAPPGP
31
PsiBlast_CBE
84.95
39%
-101
- C3 -
5BML
1
ROCK1_HUMAN
B:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GD
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
HK
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
WE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
84.49
39%
-101
- C3 -
2ETK
1
ROCK1_HUMAN
A:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GDGY
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
HK
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
WE
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
84.34
39%
-97
- C3 -
2ETK
1
ROCK1_HUMAN
B:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GD
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
HK
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
WE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
84.16
39%
-99
- C3 -
3D9V
1
ROCK1_HUMAN
A:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GDGY
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
HK
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
WE
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
83.19
39%
-94
- C3 -
3D9V
1
ROCK1_HUMAN
B:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GD
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
HK
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
WE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
82.96
39%
-98
- C3 -
2ETR
1
ROCK1_HUMAN
A:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GDGY
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
HK
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
WE
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
82.63
34%
-96
- C3 -
4L46
1
KS6B1_HUMAN
A:
[20-345]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
V
TGA
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
G
--
A
GP
G
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
--
E
L
L
A
R
K
VE
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
82.58
39%
-97
- C3 -
2ESM
1
ROCK1_HUMAN
A:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GDGY
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
HK
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
WE
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
82.46
39%
-97
- C3 -
2ESM
1
ROCK1_HUMAN
B:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GD
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
HK
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
WE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
82.45
34%
-85
- C3 -
3OWP
1
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
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
K
---
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
Y
Q
R
K
--
V
E
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
82.36
39%
-96
- C3 -
2ETR
1
ROCK1_HUMAN
B:
[75-383]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GD
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
HK
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
WE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
82.32
34%
-85
- C3 -
3VQH
2
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
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
K
---
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
Y
Q
R
K
--
V
E
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
81.69
35%
-85
- C3 -
4LQS
1
CBK1_YEAST
A:
[103-454]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
F
H
T
V
K
V
I
G
K
G
A
F
G
E
V
R
L
V
Q
K
K
---
D
T
G
K
I
Y
A
M
K
T
L
L
K
S
E
M
Y
K
-
K
---------------
S
-
D
S
P
W
V
V
S
L
Y
Y
S
F
Q
D
A
Q
Y
L
Y
L
I
M
E
F
L
P
G
G
D
L
M
T
M
L
I
R
W
Q
L
F
T
E
D
V
T
R
F
Y
M
A
E
C
I
L
A
I
E
T
I
H
K
L
G
F
I
H
R
A
I
K
P
D
N
I
L
I
D
I
R
G
H
I
K
L
S
D
F
G
----
L
S
T
G
F
H
K
T
H
D
S
N
Y
--------NRQQ
I
Q
T
W
R
K----
S
R
R
L
M
A
Y
S
T
V
G
T
P
D
Y
I
A
P
E
I
F
L
Y
Q
G
----
Y
G
Q
E
C
D
W
W
S
L
G
A
I
M
Y
E
C
L
I
G
W
P
P
F
C
S
E
T
P
Q
E
T
Y
R
K
I
M
--
N
F-
E
Q
T
L
Q
F
P
D
D
I
H
I
S
Y
E
A
E
D
L
I
R
R
L
L
-
T
H
A
D
Q
R
L
G
R-
H
--
G
G
A
D
E
I
K
S
H
P
F
F
R
G
--
V
D
W
N
--
T
I
R
Q
V
E
--
A
P
--
Y
I
P
K
L
S
S
I
T
D
T
R
F
F
P
T
D
E
L
E
N
V
P
D
S
P
A
M
I
G
Y
T
Y
S
R
F
D
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
81.52
34%
-82
- C3 -
3OXT
1
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
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
K
---
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
Y
Q
R
K
--
V
E
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
81.50
34%
-85
- C3 -
3OVV
2
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
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
K
---
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
Y
Q
R
K
--
V
E
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
81.43
34%
-83
- C3 -
3AGM
1
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
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
K
---
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
Y
Q
R
K
--
V
E
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
81.40
37%
-104
- C3 -
4L6Q
1
ROCK2_HUMAN
B:
[76-382]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
TCMK
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
GDGF
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
DH
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
81.37
34%
-91
- C3 -
4L44
1
KS6B1_HUMAN
A:
[20-345]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
V
TGA
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
G
--
A
GP
G
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
--
E
L
L
A
R
K
VE
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
81.20
34%
-85
- C3 -
3OOG
1
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
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
K
---
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
81.09
37%
-104
- C3 -
4L6Q
1
ROCK2_HUMAN
A:
[76-382]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GDGF
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
80.92
34%
-79
- C3 -
3AGL
1
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
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
K
---
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
Y
Q
R
K
--
V
E
AP
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
80.84
34%
-100
- C3 -
4L42
1
KS6B1_HUMAN
A:
[20-344]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
V
TGA
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
G
--
A
GP
G
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
--
E
L
L
A
R
K
VE
P
P
--
F
K
-----------------------------------
E
M
F
R
D
F
E
Y
I
A
D
W
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
80.62
34%
-87
- C3 -
2UZT
1
KAPCA_BOVIN
A:
[9-335]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
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
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
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
80.54
34%
-87
- C3 -
2UZW
1
KAPCA_BOVIN
E:
[9-335]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
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
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
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
80.46
34%
-82
- C3 -
3L9L
1
KAPCA_HUMAN
A:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
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
K
---
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
Y
Q
R
K
--
V
E
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
80.39
34%
-95
- C3 -
4L43
1
KS6B1_HUMAN
A:
[20-345]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
L
L
R
V
L
G
K
G
G
Y
G
K
V
F
Q
V
R
K
V
TGA
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
G
--
A
GP
G
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
--
E
L
L
A
R
K
VE
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
80.26
34%
-88
- C3 -
2OH0
1
KAPCA_BOVIN
E:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
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
NL
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
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
80.22
34%
-90
- C3 -
2F7Z
1
KAPCA_BOVIN
E:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
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
NL
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
AP
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
80.06
34%
-85
- C3 -
2F7E
1
KAPCA_BOVIN
E:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
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
NL
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
AP
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
79.36
34%
-83
- C3 -
2F7X
1
KAPCA_BOVIN
E:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
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
NL
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
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
79.28
34%
-85
- C3 -
2OJF
1
KAPCA_BOVIN
E:
[24-350]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
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
NL
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
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
78.94
34%
-85
- C3 -
2UZU
1
KAPCA_BOVIN
E:
[9-335]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
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
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
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
78.86
35%
-85
- C3 -
4LQQ
1
CBK1_YEAST
A:
[103-454]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
F
H
T
V
K
V
I
G
K
G
A
F
G
E
V
R
L
V
Q
K
K
---
D
T
G
K
I
Y
A
M
K
T
L
L
K
S
E
M
Y
K
-
K
---------------
S
-
D
S
P
W
V
V
S
L
Y
Y
S
F
Q
D
A
Q
Y
L
Y
L
I
M
E
F
L
P
G
G
D
L
M
T
M
L
I
R
W
Q
L
F
T
E
D
V
T
R
F
Y
M
A
E
C
I
L
A
I
E
T
I
H
K
L
G
F
I
H
R
A
I
K
P
D
N
I
L
I
D
I
R
G
H
I
K
L
S
D
F
G
----
L
S
T
G
F
H
K
T
H
D
S
N
Y
--------L
T
M
S
N
RQQ
I
Q
T
W
R
K
S
R
R
L
M
A
Y
S
T
V
G
T
P
D
Y
I
A
P
E
I
F
L
Y
Q
G
----
Y
G
Q
E
C
D
W
W
S
L
G
A
I
M
Y
E
C
L
I
G
W
P
P
F
C
S
E
T
P
Q
E
T
Y
R
K
I
M
--
N
F-
E
Q
T
L
Q
F
P
D
D
I
H
I
S
Y
E
A
E
D
L
I
R
R
L
L
-
T
H
A
D
Q
R
L
G
R-
H
--
G
G
A
D
E
I
K
S
H
P
F
F
R
G
--
V
D
W
N
--
T
I
R
Q
V
E
--
A
P
--
Y
I
P
K
L
S
S
I
T
D
T
R
F
F
P
T
D
E
L
E
N
V
P
D
S
P
A
M
I
G
Y
E
Y
S
R
F
D
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
75.56
37%
-90
- C3 -
4Q9Z
1
B:
[6-292]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
F
E
L
H
K
M
L
G
K
G
S
F
G
K
V
F
L
A
E
F
K
---
K
T
N
Q
F
F
A
I
K
A
L
K
K
D
V
V
L
M
-
D
D
D
V
E
C
T
M
V
E
K
R
V
L
S
L
A
W
E
H
P
F
L
T
H
M
F
C
T
F
Q
T
K
E
N
L
F
F
V
M
E
Y
L
N
G
G
D
L
M
Y
H
I
Q
S
C
H
K
F
D
L
S
R
A
T
F
Y
A
A
E
I
I
L
G
L
Q
F
L
H
S
K
G
I
V
Y
R
D
L
K
L
D
N
I
L
L
D
K
D
G
H
I
K
I
A
D
F
G
----
M
C
K
E
N
M
L
G
------------
D
--------------
A
K
T
---
N
E
F
C
G
T
P
D
Y
I
A
P
E
I
L
L
G
Q
K
----
Y
N
H
S
V
D
W
W
S
F
G
V
L
L
Y
E
M
L
I
G
Q
S
P
F
H
G
Q
D
E
E
E
L
F
H
S
I
R
--
M
--
D
N
P
F
Y
P
R
W
---
L
E
K
E
A
K
D
L
L
V
K
L
F
V
R
E
P
E
K
R
L
G
--
V
--
R
G
--
D
I
R
Q
H
P
L
F
R
E
--
I
N
W
E
--
E
L
E
R
K
E
--
I
D
PP
F
R
P
K
V
K
S
P
F
D
C
S
N
F
D
K
N
M
F
R
N
F
S
F
M
N
P
G
M
E
R
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
75.39
35%
-84
- C3 -
4LQP
1
CBK1_YEAST
A:
[103-454]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
F
H
T
V
K
V
I
G
K
G
A
F
G
E
V
R
L
V
Q
K
K
---
D
T
G
K
I
Y
A
M
K
T
L
L
K
S
E
M
Y
K
-
K
------------
L
A
G
S
-
D
S
P
W
V
V
S
L
Y
Y
S
F
Q
D
A
Q
Y
L
Y
L
I
M
E
F
L
P
G
G
D
L
M
T
M
L
I
R
W
Q
L
F
T
E
D
V
T
R
F
Y
M
A
E
C
I
L
A
I
E
T
I
H
K
L
G
F
I
H
R
A
I
K
P
D
N
I
L
I
D
I
R
G
H
I
K
L
S
D
F
G
----
L
S
T
G
F
H
K
T
H
D
S
N
Y
--------QTWRK---------
S
R
R
L
M
A
Y
S
T
V
G
T
P
D
Y
I
A
P
E
I
F
L
Y
Q
G
----
Y
G
Q
E
C
D
W
W
S
L
G
A
I
M
Y
E
C
L
I
G
W
P
P
F
C
S
E
T
P
Q
E
T
Y
R
K
I
M
--
N
F-
E
Q
T
L
Q
F
P
D
D
I
H
I
S
Y
E
A
E
D
L
I
R
R
L
L
-
T
H
A
D
Q
R
L
G
R-
H
--
G
G
A
D
E
I
K
S
H
P
F
F
R
G
--
V
D
W
N
--
T
I
R
Q
V
E
--
A
P
--
Y
I
P
K
L
S
S
I
T
D
T
R
F
F
P
T
D
E
L
E
N
V
P
D
S
P
A
M
F
I
G
Y
E
Y
S
R
F
D
Y
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
55.72
34%
-28
- C3 -
4WB8
2
KAPCA_HUMAN
A:
[10-336]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
D
F
L
K
K
W
E
S
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
K
---
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
Y
Q
R
K
--
V
E
AP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------