@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 : ROCK1_HUMAN: (2013-07-24 )
MSTGDSFETRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNKNIDNFLSRYKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKSTRKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKSGHLKLADFGTCMKMNKEGMVRCDTAVGTPDYISPEVLKSQGGDGYYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISKEAKNLICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSSDIDTSNFDDLEEDKGEEETFPIPKAFVGNQLPFVGFTYYSNRRYLSSANPNDNRTSSNADKSLQESLQKTIYKLEEQLHNEMQLKDEMEQKCRTSNIKLDKIMKELDEEGNQRRNLESTVSQIEKEKMLLQHRINEYQRKAEQENEKRRNVENEVSTLKDQLEDLKKVSQNSQLANEKLSQLQKQLEEANDLLRTESDTAVRLRKSHTEMSKSISQLESLNRELQERNRILENSKSQTDKDYYQLQAILEAERRDRGHDSEMIGDLQARITSLQEEVKHLKHNLEKVEGERKEAQDMLNHSEKEKNNLEIDLNYKLKSLQQRLEQEVNEHKVTKARLTDKHQSIEEAKSVAMCEMEKKLKEEREAREKAENRVVQIEKQCSMLDVDLKQSQQKLEHLTGNKERMEDEVKNLTLQLEQESNKRLLLQNELKTQAFEADNLKGLEKQMKQEINTLLEAKRLLEFELAQLTKQYRGNEGQMRELQDQLEAEQYFSTLYKTQVKELKEEIEEKNRENLKKIQELQNEKETLATQLDLAETKAESEQLARGLLEEQYFELTQESKKAASRNRQEITDKDHTVSRLEEANSMLTKDIEILRRENEELTEKMKKAEEEYKLEKEEEISNLKAAFEKNINTERTLKTQAVNKLAEIMNRKDFKIDRKKANTQDLRKKEKENRKLQLELNQEREKFNQMVVKHQKELNDMQAQLVEECAHRNELQMQLASKESDIEQLRAKLLDLSDSTSVASFPSADETDGNLPESRIEGWLSVPNRGNIKRYGWKKQYVVVSSKKILFYNDEQDKEQSNPSMVLDIDKLFHVRPVTQGDVYRAETEEIPKIFQILYANEGECRKDVEMEPVQQAEKTNFQNHKGHEFIPTLYHFPANCDACAKPLWHVFKPPPALECRRCHVKCHRDHLDKKEDLICPCKVSYDVTSARDMLLLACSQDEQKKWVTHLVKKIPKNPPSGFVRASPRTLSTRSTANQSFRKVVKNTSGKTS
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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSTGDSFETRFEKMDNLLRDP----KSEVNSDC-----LLDGLDALVYDLDFPALRKNKNIDNFLSRYKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKS---TRK----VYAMKLLSKFEMIKRSDSAFFWEERDIMA-F---ANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLV-NLMSN-YD--VPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKSGHLKLADFGTCMKMNKEGMVRCDTA---VGTPDYISPEVLKS-QGGDGYYGRECDWWSVGVFLYEMLVGDTPFYADSLVGT----YSKIMNHKNSLTFPD--D-NDISKEAKNLI-CA-FL-T-DREVRLG---R--NGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSSDIDTSNFDDLEEDKGEEETFPIPKAFVGNQLPFVGFTY-----YSNRRYLSSANPNDNRTSSNADKSLQESLQKTIYKLEEQLHNEMQLKDEMEQKCRTSNIKLDKIMKELDEEGNQRRNLESTVSQIEKEKMLLQHRINEYQRKAEQENEKRRNVENEVSTLKDQLEDLKKVSQNSQLANEKLSQLQKQLEEANDLLRTESDTAVRLRKSHTEMSKSISQLESLNRELQERNRILENSKSQTDKDYYQLQAILEAERRDRGHDSEMIGDLQARITSLQEEVKHLKHNLEKVEGERKEAQDMLNHSEKEKNNLEIDLNYKLKSLQQRLEQEVNEHKVTKARLTDKHQSIEEAKSVAMCEMEKKLKEEREAREKAENRVVQIEKQCSMLDVDLKQSQQKLEHLTGNKERMEDEVKNLTLQLEQESNKRLLLQNELKTQAFEADNLKGLEKQMKQEINTLLEAKRLLEFELAQLTKQYRGNEGQMRELQDQLEAEQYFSTLYKTQVKELKEEIEEKNRENLKKIQELQNEKETLATQLDLAETKAESEQLARGLLEEQYFELTQESKKAASRNRQEITDKDHTVSRLEEANSMLTKDIEILRRENEELTEKMKKAEEEYKLEKEEEISNLKAAFEKNINTERTLKTQAVNKLAEIMNRKDFKIDRKKANTQDLRKKEKENRKLQLELNQEREKFNQMVVKHQKELNDMQAQLVEECAHRNELQMQLASKESDIEQLRAKLLDLSDSTSVASFPSADETDGNLPESRIEGWLSVPNRGNIKRYGWKKQYVVVSSKKILFYNDEQDKEQSNPSMVLDIDKLFHVRPVTQGDVYRAETEEIPKIFQILYANEGECRKDVEMEPVQQAEKTNFQNHKGHEFIPTLYHFPANCDACAKPLWHVFKPPPALECRRCHVKCHRDHLDKKEDLICPCKVSYDVTSARDMLLLACSQDEQKKWVTHLVKKIPKNPPSGFVRASPRTLSTRSTANQSFRKVVKNTSGKTS
36
PsiBlast_CBE
81.59
100%
-90
- C2 -
2ETK
1
ROCK1_HUMAN
B:
[6-402]
-----
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
----
K
S
E
V
N
S
D
C
-----
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
---
T
R
K
----
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
---
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
-
N
L
M
S
N
-
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
---
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
----
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
--
D
-
N
D
I
S
K
E
A
K
N
L
I
-
C
A
-
F
L
-
T
-
D
R
E
V
R
L
G
---
R
--
N
G
V
E
E
I
K
R
H
L
F
F
K
N
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
81.38
100%
-89
- C2 -
3D9V
1
ROCK1_HUMAN
B:
[6-402]
-----
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
----
K
S
E
V
N
S
D
C
-----
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
---
T
R
K
----
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
---
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
-
N
L
M
S
N
-
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
---
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
----
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
--
D
-
N
D
I
S
K
E
A
K
N
L
I
-
C
A
-
F
L
-
T
-
D
R
E
V
R
L
G
---
R
--
N
G
V
E
E
I
K
R
H
L
F
F
K
N
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
81.19
100%
-89
- C2 -
2ESM
1
ROCK1_HUMAN
A:
[6-405]
-----
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
----
K
S
E
V
N
S
D
C
-----
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
---
T
R
K
----
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
---
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
-
N
L
M
S
N
-
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
---
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
----
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
--
D
-
N
D
I
S
K
E
A
K
N
L
I
-
C
A
-
F
L
-
T
-
D
R
E
V
R
L
G
---
R
--
N
G
V
E
E
I
K
R
H
L
F
F
K
N
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
81.04
100%
-89
- C2 -
2ETR
1
ROCK1_HUMAN
B:
[6-402]
-----
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
----
K
S
E
V
N
S
D
C
-----
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
---
T
R
K
----
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
---
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
-
N
L
M
S
N
-
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
---
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
----
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
--
D
-
N
D
I
S
K
E
A
K
N
L
I
-
C
A
-
F
L
-
T
-
D
R
E
V
R
L
G
---
R
--
N
G
V
E
E
I
K
R
H
L
F
F
K
N
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
80.85
100%
-91
- C2 -
2ETR
1
ROCK1_HUMAN
A:
[6-405]
-----
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
----
K
S
E
V
N
S
D
C
-----
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
---
T
R
K
----
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
---
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
-
N
L
M
S
N
-
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
---
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
----
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
--
D
-
N
D
I
S
K
E
A
K
N
L
I
-
C
A
-
F
L
-
T
-
D
R
E
V
R
L
G
---
R
--
N
G
V
E
E
I
K
R
H
L
F
F
K
N
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
80.72
100%
-90
- C2 -
3D9V
1
ROCK1_HUMAN
A:
[6-405]
-----
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
----
K
S
E
V
N
S
D
C
-----
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
---
T
R
K
----
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
---
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
-
N
L
M
S
N
-
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
---
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
----
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
--
D
-
N
D
I
S
K
E
A
K
N
L
I
-
C
A
-
F
L
-
T
-
D
R
E
V
R
L
G
---
R
--
N
G
V
E
E
I
K
R
H
L
F
F
K
N
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
80.71
100%
-92
- C2 -
2ETK
1
ROCK1_HUMAN
A:
[6-405]
-----
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
----
K
S
E
V
N
S
D
C
-----
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
---
T
R
K
----
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
---
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
-
N
L
M
S
N
-
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
---
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
----
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
--
D
-
N
D
I
S
K
E
A
K
N
L
I
-
C
A
-
F
L
-
T
-
D
R
E
V
R
L
G
---
R
--
N
G
V
E
E
I
K
R
H
L
F
F
K
N
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
79.79
100%
-89
- C2 -
2ESM
1
ROCK1_HUMAN
B:
[6-402]
-----
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
----
K
S
E
V
N
S
D
C
-----
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
---
T
R
K
----
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
---
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
-
N
L
M
S
N
-
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
---
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
----
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
--
D
-
N
D
I
S
K
E
A
K
N
L
I
-
C
A
-
F
L
-
T
-
D
R
E
V
R
L
G
---
R
--
N
G
V
E
E
I
K
R
H
L
F
F
K
N
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
78.37
100%
-91
- C2 -
2V55
1
ROCK1_HUMAN
A:
[6-404]
-----
S
F
E
T
R
F
E
K
M
D
N
L
L
R
D
P
----
K
S
E
V
N
S
D
C
-----
L
L
D
G
L
D
A
L
V
Y
D
L
D
F
P
A
L
R
K
N
K
N
I
D
N
F
L
S
R
Y
K
D
T
I
N
K
I
R
D
L
R
M
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
K
S
---
T
R
K
----
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
-
F
---
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
-
N
L
M
S
N
-
Y
D
--
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
G
H
L
K
L
A
D
F
G
T
C
M
K
M
N
K
E
G
M
V
R
C
D
T
A
---
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
-
Q
G
G
D
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
P
F
Y
A
D
S
L
V
G
T
----
Y
S
K
I
M
N
H
K
N
S
L
T
F
P
D
--
D
-
N
D
I
S
K
E
A
K
N
L
I
-
C
A
-
F
L
-
T
-
D
R
E
V
R
L
G
---
R
--
N
G
V
E
E
I
K
R
H
L
F
F
K
N
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
76.28
83%
-93
- C2 -
2F2U
1
ROCK2_BOVIN
A:
[12-401]
----------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
75.45
83%
-89
- C2 -
2F2U
1
ROCK2_BOVIN
B:
[12-401]
----------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
74.45
83%
-83
- C2 -
2H9V
1
ROCK2_BOVIN
A:
[10-401]
--------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
70.65
49%
-83
- C2 -
4AW2
5
MRCKA_RAT
A:
[1-406]
-----
S
G
E
V
R
L
R
Q
L
E
Q
F
I
L
D
G
----
P
A
Q
T
N
G
Q
C
FS
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
69.94
48%
-85
- C2 -
3QFV
3
MRCKB_HUMAN
B:
[2-403]
-----
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
----------------
G
F
S
G
L
H
L
P
F
I
G
F
T
F
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
69.80
48%
-84
- C2 -
3QFV
2
MRCKB_HUMAN
A:
[2-403]
-----
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
68.69
47%
-81
- C2 -
3TKU
3
MRCKB_HUMAN
B:
[18-431]
-----
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
TTESC
F
S
D
R
G
S
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
68.47
47%
-79
- C2 -
3TKU
3
MRCKB_HUMAN
A:
[18-431]
-----
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
TTESC
F
S
D
R
G
S
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
55.73
39%
-54
- C2 -
2GNH
2
KAPCA_BOVIN
A:
[41-333]
----------------------------------------------------------------------------------
D
Q
F
E
R
I
K
T
I
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
M
P
G
G
D
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
K
V
A
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
55.27
38%
-56
- C2 -
2F7X
1
KAPCA_BOVIN
E:
[42-334]
----------------------------------------------------------------------------------
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
55.04
39%
-57
- C2 -
2GNF
1
KAPCA_BOVIN
A:
[41-333]
----------------------------------------------------------------------------------
D
Q
F
E
R
I
K
T
I
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
M
P
G
G
D
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
K
V
A
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
54.94
38%
-62
- C2 -
2OH0
1
KAPCA_BOVIN
E:
[42-334]
----------------------------------------------------------------------------------
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
54.16
35%
-65
- C2 -
4DC2
1
KPCI_MOUSE
A:
[49-353]
-------------------------------------------------------------------------------
L
G
L
Q
D
F
D
L
L
R
V
I
G
R
G
S
Y
A
K
V
L
L
V
R
L
K
K
---
T
D
R
----
I
Y
A
M
R
V
V
K
K
-
E
L
V
N
-----
I
D
W
V
Q
T
E
K
H
V
-
F
E
Q
A
S
N
H
P
F
L
V
G
L
H
S
C
F
Q
T
E
S
R
L
F
F
V
I
E
Y
V
N
G
G
D
L
M
F
H
M
Q
R
Q
-
R
K
--
L
P
E
E
H
A
R
F
Y
S
A
E
I
S
L
A
L
N
Y
L
H
E
R
G
I
I
Y
R
D
L
K
L
D
N
V
L
L
D
S
E
G
H
I
K
L
T
D
Y
G
M
C
----
K
E
G
L
R
P
G
D
T
T
S
T
F
C
G
T
P
N
Y
I
A
P
E
I
L
R
G
-
E
D
----
Y
G
F
S
V
D
W
W
A
L
G
V
L
M
F
E
M
M
A
G
R
S
P
F
---
D
I
V
G
S
NT
E
D
Y
L
F
Q
V
I
L
E
K
Q
I
R
I
P
-----
R
S
L
S
V
K
A
A
S
V
L
-
K
S
-
F
L
-
N
K
D
P
K
E
R
L
G
CHP
Q
--
T
G
F
A
D
I
Q
G
H
P
F
F
R
N
V
D
W
D
M
M
E
Q
K
Q
V
V
P
P
F
K
P
N
I
S
G
E
F
G
L
D
N
F
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
53.99
37%
-61
- C2 -
2UZT
1
KAPCA_BOVIN
A:
[27-319]
----------------------------------------------------------------------------------
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
53.50
38%
-58
- C2 -
2OJF
1
KAPCA_BOVIN
E:
[42-334]
----------------------------------------------------------------------------------
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
53.49
38%
-57
- C2 -
2F7E
1
KAPCA_BOVIN
E:
[42-334]
----------------------------------------------------------------------------------
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
53.29
37%
-57
- C2 -
2UZW
1
KAPCA_BOVIN
E:
[27-319]
----------------------------------------------------------------------------------
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
52.62
37%
-57
- C2 -
2UZU
1
KAPCA_BOVIN
E:
[27-319]
----------------------------------------------------------------------------------
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
52.62
37%
-58
- C2 -
2UZV
1
KAPCA_BOVIN
A:
[27-319]
----------------------------------------------------------------------------------
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
52.47
40%
-63
- C2 -
2Z7S
1
KS6A1_HUMAN
A:
[30-308]
------------------------------------------------------------------------------------
F
E
L
L
K
V
L
G
Q
G
S
F
G
K
V
F
L
V
R
-
K
V
---
T
R
P
DSG
H
L
Y
A
M
K
V
L
K
------------------
I
L
A
-
D
---
V
N
H
P
F
V
V
K
L
H
Y
A
F
Q
T
E
G
K
L
Y
L
I
L
D
F
L
R
G
G
D
L
F
-
T
R
L
S
K
E
V
M
--
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
G
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
G
H
I
K
L
T
D
F
G
----
L
S
K
E
------------
G
T
V
E
Y
M
A
P
E
V
V
N
R
-
Q
G
----
H
S
H
S
A
D
W
W
S
Y
G
V
L
M
F
E
M
L
T
G
S
L
P
F
Q
G
K
D
R
K
E
T
----
M
T
L
I
L
--
K
A
K
L
G
M
P
-----
Q
F
L
S
T
E
A
Q
S
L
L
-
R
A
L
F
K
-
R
-
N
P
A
N
R
L
G
---
S
GP
D
G
A
E
E
I
K
R
H
V
F
Y
S
T
I
D
W
N
K
L
Y
R
R
E
I
K
P
P
F
K
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
52.04
38%
-62
- C2 -
2F7Z
1
KAPCA_BOVIN
E:
[42-334]
----------------------------------------------------------------------------------
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
HF
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
51.79
38%
-64
- C2 -
2R5T
1
SGK1_HUMAN
A:
[36-320]
--------------------------------------------------------------------------------
K
P
S
D
F
H
F
L
K
V
I
G
K
G
S
F
G
K
V
L
L
A
R
H
K
A
---
E
E
V
----
F
Y
A
V
K
V
L
Q
K
K
A
I
L
-------------
V
L
L
K
N
---
V
K
H
P
F
L
V
G
L
H
F
S
F
Q
T
A
D
K
L
Y
F
V
L
D
Y
I
N
G
G
E
L
F
Y
H
L
Q
R
E
-
R
C
--
F
L
E
P
R
A
R
F
Y
A
A
E
I
A
S
A
L
G
Y
L
H
S
L
N
I
V
Y
R
D
L
K
P
E
N
I
L
L
D
S
Q
G
H
I
V
L
T
D
F
G
L
C
-
K
E
N
I
E
H
N
S
T
T
S
T
F
---
C
G
T
P
E
Y
L
A
P
E
V
L
H
K
-
Q
P
----
Y
D
R
T
V
D
W
W
C
L
G
A
V
L
Y
E
M
L
Y
G
L
P
P
F
Y
S
R
N
T
A
E
M
----
Y
D
N
I
L
N
K
P
L
Q
L
------
K
-
P
N
I
T
N
S
A
R
H
L
L
-
E
G
-
L
L
Q
K
-
D
R
T
K
R
L
G
A--
K
--
D
D
F
M
E
I
K
S
H
V
F
F
S
L
I
N
W
D
D
L
I
N
K
K
I
T
P
P
F
N
P
N
V
S
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
51.12
38%
-65
- C2 -
3HDM
1
SGK1_HUMAN
A:
[36-320]
--------------------------------------------------------------------------------
K
P
S
D
F
H
F
L
K
V
I
G
K
G
S
F
G
K
V
L
L
A
R
H
K
A
---
E
E
V
----
F
Y
A
V
K
V
L
Q
K
K
A
I
L
-------------
V
L
L
K
N
---
V
K
H
P
F
L
V
G
L
H
F
S
F
Q
T
A
D
K
L
Y
F
V
L
D
Y
I
N
G
G
E
L
F
Y
H
L
Q
R
E
-
R
C
--
F
L
E
P
R
A
R
F
Y
A
A
E
I
A
S
A
L
G
Y
L
H
S
L
N
I
V
Y
R
D
L
K
P
E
N
I
L
L
D
S
Q
G
H
I
V
L
T
D
F
G
L
C
-
K
E
N
I
E
H
N
S
T
T
S
T
F
---
C
G
T
P
E
Y
L
A
P
E
V
L
H
K
-
Q
P
----
Y
D
R
T
V
D
W
W
C
L
G
A
V
L
Y
E
M
L
Y
G
L
P
P
F
Y
S
R
N
T
A
E
M
----
Y
D
N
I
L
N
K
P
L
Q
L
------
K
-
P
N
I
T
N
S
A
R
H
L
L
-
E
G
-
L
L
Q
K
-
D
R
T
K
R
L
G
A--
K
--
D
D
F
M
E
I
K
S
H
V
F
F
S
L
I
N
W
D
D
L
I
N
K
K
I
T
P
P
F
N
P
N
V
S
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
50.69
40%
-61
- C2 -
2Z7R
1
KS6A1_HUMAN
A:
[30-308]
------------------------------------------------------------------------------------
F
E
L
L
K
V
L
G
Q
G
S
F
G
K
V
F
L
V
R
-
K
V
---
T
R
P
DSG
H
L
Y
A
M
K
V
L
K
K
-
A
T
L
K
V
-----------
I
L
A
-
D
---
V
N
H
P
F
V
V
K
L
H
Y
A
F
Q
T
E
G
K
L
Y
L
I
L
D
F
L
R
G
G
D
L
F
-
T
R
L
S
K
E
V
M
--
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
G
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
G
H
I
K
L
T
D
F
G
----
L
S
K
E
------------
G
T
V
E
Y
M
A
P
E
V
V
N
R
-
Q
G
----
H
S
H
S
A
D
W
W
S
Y
G
V
L
M
F
E
M
L
T
G
S
L
P
F
Q
G
K
D
R
K
E
T
----
M
T
L
I
L
--
K
A
K
L
G
M
P
-----
Q
F
L
S
T
E
A
Q
S
L
L
-
R
A
L
F
K
-
R
-
N
P
A
N
R
L
G
---
S
GP
D
G
A
E
E
I
K
R
H
V
F
Y
S
T
I
D
W
N
K
L
Y
R
R
E
I
K
P
P
F
K
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
50.23
40%
-64
- C2 -
2Z7Q
1
KS6A1_HUMAN
A:
[30-308]
------------------------------------------------------------------------------------
F
E
L
L
K
V
L
G
Q
G
S
F
G
K
V
F
L
V
R
-
K
V
---
T
R
P
DSG
H
L
Y
A
M
K
V
L
-------------------
I
L
A
-
D
---
V
N
H
P
F
V
V
K
L
H
Y
A
F
Q
T
E
G
K
L
Y
L
I
L
D
F
L
R
G
G
D
L
F
-
T
R
L
S
K
E
V
M
--
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
G
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
G
H
I
K
L
T
D
F
G
----
L
S
K
E
------------
G
T
V
E
Y
M
A
P
E
V
V
N
R
-
Q
G
----
H
S
H
S
A
D
W
W
S
Y
G
V
L
M
F
E
M
L
T
G
S
L
P
F
Q
G
K
D
R
K
E
T
----
M
T
L
I
L
--
K
A
K
L
G
M
P
-----
Q
F
L
S
T
E
A
Q
S
L
L
-
R
A
L
F
K
-
R
-
N
P
A
N
R
L
G
---
S
GP
D
G
A
E
E
I
K
R
H
V
F
Y
S
T
I
D
W
N
K
L
Y
R
R
E
I
K
P
P
F
K
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
49.01
38%
-61
- C2 -
3HDN
1
SGK1_HUMAN
A:
[36-316]
--------------------------------------------------------------------------------
K
P
S
D
F
H
F
L
K
V
I
G
K
G
S
F
G
K
V
L
L
A
R
H
K
A
---
E
E
V
----
F
Y
A
V
K
V
L
Q
K
K
A
I
L
-------------
V
L
L
K
N
---
V
K
H
P
F
L
V
G
L
H
F
S
F
Q
T
A
D
K
L
Y
F
V
L
D
Y
I
N
G
G
E
L
F
Y
H
L
Q
R
E
-
R
C
--
F
L
E
P
R
A
R
F
Y
A
A
E
I
A
S
A
L
G
Y
L
H
S
L
N
I
V
Y
R
D
L
K
P
E
N
I
L
L
D
S
Q
G
H
I
V
L
T
D
F
G
L
C
-
K
E
N
I
E
H
N
S
T
T
S
T
F
---
C
G
T
P
E
Y
L
A
P
E
V
L
H
K
-
Q
P
----
Y
D
R
T
V
D
W
W
C
L
G
A
V
L
Y
E
M
L
Y
G
L
P
P
F
Y
S
R
N
T
A
E
M
----
Y
D
N
I
L
N
K
P
L
Q
L
------
K
-
P
N
I
T
N
S
A
R
H
L
L
-
E
G
-
L
L
Q
K
-
D
R
T
K
R
L
G
A--
K
--
D
D
F
M
E
I
K
S
H
V
F
F
S
L
I
N
W
D
D
L
I
N
K
K
I
T
P
P
F
N
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
PsiBlast_CBE
48.19
39%
-65
- C2 -
3G51
1
KS6A3_MOUSE
A:
[26-304]
------------------------------------------------------------------------------------
F
E
L
L
K
V
L
G
Q
G
S
F
G
K
V
F
L
V
K
K
I
S
GSD
A
R
Q
----
L
Y
A
M
K
V
L
K
K
-
A
T
L
K
V
R
D
---------
I
L
V
-
E
---
V
N
H
P
F
I
V
K
L
H
Y
A
F
Q
T
E
G
K
L
Y
L
I
L
D
F
L
R
G
G
D
L
F
-
T
R
L
S
K
E
V
M
--
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
A
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
G
H
I
K
L
T
D
F
G
----
L
S
K
E
S
I
-----------
T
V
E
Y
M
A
P
E
V
V
N
R
-
R
G
----
H
T
Q
S
A
D
W
W
S
F
G
V
L
M
F
E
M
L
T
G
T
L
P
F
Q
G
K
D
R
K
E
T
----
M
T
M
I
L
--
K
A
K
L
G
M
P
-----
Q
F
L
S
P
E
A
Q
S
L
L
R
M
L
-
F
K
-
R
-
N
P
A
N
R
L
G
---
A
GP
D
G
V
E
E
I
K
R
H
S
F
F
S
T
I
D
W
N
K
L
Y
R
R
E
I
H
P
P
F
K
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------