@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 : M3K9_HUMAN: (2015-10-12 )
MEPSRALLGCLASAAAAAPPGEDGAGAGAEEEEEEEEEAAAAVGPGELGCDAPLPYWTAVFEYEAAGEDELTLRLGDVVEVLSKDSQVSGDEGWWTGQLNQRVGIFPSNYVTPRSAFSSRCQPGGEDPSCYPPIQLLEIDFAELTLEEIIGIGGFGKVYRAFWIGDEVAVKAARHDPDEDISQTIENVRQEAKLFAMLKHPNIIALRGVCLKEPNLCLVMEFARGGPLNRVLSGKRIPPDILVNWAVQIARGMNYLHDEAIVPIIHRDLKSSNILILQKVENGDLSNKILKITDFGLAREWHRTTKMSAAGTYAWMAPEVIRASMFSKGSDVWSYGVLLWELLTGEVPFRGIDGLAVAYGVAMNKLALPIPSTCPEPFAKLMEDCWNPDPHSRPSFTNILDQLTTIEESGFFEMPKDSFHCLQDNWKHEIQEMFDQLRAKEKELRTWEEELTRAALQQKNQEELLRRREQELAEREIDILERELNIIIHQLCQEKPRVKKRKGKFRKSRLKLKDGNRISLPSDFQHKFTVQASPTMDKRKSLINSRSSPPASPTIIPRLRAIQLTPGESSKTWGRSSVVPKEEGEEEEKRAPKKKGRTWGPGTLGQKELASGDEGSPQRREKANGLSTPSESPHFHLGLKSLVDGYKQWSSSAPNLVKGPRSSPALPGFTSLMEMEDEDSEGPGSGESRLQHSPSQSYLCIPFPRGEDGDGPSSDGIHEEPTPVNSATSTPQLTPTNSLKRGGAHHRRCEVALLGCGAVLAATGLGFDLLEAGKCQLLPLEEPEPPAREEKKRREGLFQRSSRPRRSTSPPSRKLFKKEEPMLLLGDPSASLTLLSLSSISECNSTRSLLRSDSDEIVVYEMPVSPVEAPPLSPCTHNPLVNVRVERFKRDPNQSLTPTHVTLTTPSQPSSHRRTPSDGALKPETLLASRSPSSNGLSPSPGAGMLKTPSPSRDPGEFPRLPDPNVVFPPTPRRWNTQQDSTLERPKTLEFLPRPRPSANRQRLDPWWFVSPSHARSTSPANSSSTETPSNLDSCFASSSSTVEERPGLPALLPFQAGPLPPTERTLLDLDAEGQSQDSTVPLCRAELNTHRPAPYEIQQEFWS
Atome Classification :
(94 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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
ME
P
S
R
A
L
L
G
C
L
A
S
A
AAAAPPGEDGAGAGAE
E
E
E
E
E
E
E
E
A
A
AAVGPGELGCDAPL
P
Y
W
T
A
V
F
E
YEAAGE
D
E
L
T
L
R
L
G
D
V
V
E
V
LSKDSQVSGDEG
W
W
TGQLNQRVGIFPSNYV
T
P
R
S
A
F
S
SRCQPGGEDPSCY---PP
I
Q
L
L
E
I
D
F
A
E
L
T
L
E
E
I
IGIG
G
F
G
K
V
Y
R
A
FW--IG-
D
E
V
A
V
K
AARHD
P
D
E
D
I
-
S
Q
T
I
E
N
V
R
Q
E
A
K
L
F
A
M
LKHP
N
I
I
A
L
R
G
V
CLKEP
N
L
C
L
V
M
EFARGGP
L
N
---RVL---SGKR--I
P
P
D
--
I
L
----
V
N
W
A
V
Q
I
A
R
G
M
N
Y
L
H
DE
A
I
V
P
I
I
H
R
DLKSS
N
I
L
I
L
Q
KVENGDLSN
K
I
L
K
I
TDFG
L
A
R
--
E
W
H
RTTKMS--AAGT---YAW
M
A
P
E
V
I
R
A
S
M
FSKGS
D
V
W
S
Y
G
V
L
L
W
E
L
L
T-GEVPFRGID
G
L
A
V
A
Y
G
V
A
M
-
N
KLALPIPST
C
P
E
P
F
A
K
L
M
E
D
CWNPDPHSRP
S
F
T
N
I
L
D
Q
L
T
T
IEESGFFEMPK
D
S
F
H
C
L
Q
D
N
W
K
H
E
I
Q
E
M
F
D
Q
L
R
A
K
E
K
E
L
R
T
W
E
E
E
L
T
R
A
A
L
QQK
N
Q
E
E
L
L
R
R
R
E
Q
E
L
A
E
R
E
I
D
I
L
E
R
E
L
N
I
I
I
H
Q
L
C
Q
EKP
R
V
K
K
R
KG
K
F
R
K
S
R
L
KLKDGNRISLPSDF
Q
H
K
F
T
V
QASP
T
M
D
K
R
K
S
L
I
NSRSSPPASP
T
I
I
P
R
L
R
A
I
Q
LTPGESSKTWGRSSVVPKEEG
E
E
E
E
K
RAPKKKGRTWGPGTL
G
Q
K
E
LASGDEGSP
Q
R
R
E
KANGLSTPSESP
H
F
H
L
G
L
K
S
L
V
D
G
Y
K
Q
W
SSSAPNLVKGPRSSPAL
P
G
F
T
S
L
M
EMEDEDSEGPGSG
E
S
R
LQHSPSQ
S
Y
L
C
I
PFPRGEDGDGPSSDGIHEEPTPVNSATSTPQLTPTNSLKRGGAH
H
R
R
C
E
V
A
L
LGC
G
A
V
L
A
A
TGL
G
F
D
L
L
EAGK
C
Q
L
L
PLEEPEPP
A
R
E
E
K
K
R
R
E
G
L
F
Q
RSSRPRRSTSPP
S
R
KLFKKEE
P
M
L
L
LGDPSA
S
L
T
L
L
S
L
S
S
I
S
E
C
N
S
T
R
S
L
L
RSDSD
E
I
V
V
Y
EMPVSPVEAPPLSPCTHNPL
V
N
V
R
V
E
R
FKRDPNQSLTP
T
H
V
T
L
TTPSQPSSHRRTPSDGALK
P
E
T
LLASRSPSSNGLSPSPGAGMLKTPSPSRDPGEFPRLPDP
N
V
VFPPTPRRWNTQQDSTLERPKTLEFLPRPRPSANRQRLD
P
W
W
F
VSPSHARSTSPANSSSTETP
S
N
L
D
S
C
FASSSSTVEERPGL
P
A
LLPFQAGPLPPTE
R
T
L
L
DLDAEGQSQDSTV
P
L
C
R
AELNTHRPA
P
Y
E
I
Q
Q
E
FWS
94
PsiBlast_CBE
91.75
34%
-101
- C2 -
3QRK
1
ABL1_HUMAN
A:
[5-274]
-------------------------------------------------------------------------------------------------------------------------------
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
77
PsiBlast_CBE
91.62
33%
-103
- C2 -
2FO0
3
ABL1_HUMAN
A:
[195-473]
--------------------------------------------------------------------------------------------------------------------------
P
K
R
N
K
P
T
V
Y
GVS
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
N
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
91.52
38%
-110
- C2 -
4CSV
1
?
A:
[7-267]
--------------------------------------------------------------------------------------------------------------------------------------------
E
I
P
R
S
E
I
T
L
E
R
K
L
G
S
G
Q
F
G
E
V
Y
E
G
K
W
RN
Y
N
-
I
E
V
A
V
K
T
L
K
E
G
------
T
M
S
V
E
E
F
L
Q
E
A
Q
I
M
K
K
L
K
H
P
N
L
V
Q
L
Y
G
V
C
T
K
E
P
P
I
Y
I
I
T
E
Y
M
S
H
G
S
L
L
---
D
Y
L
R
D
C------
V
N
A
Q
--
A
L
----
L
D
M
A
A
Q
V
A
S
G
M
A
Y
L
E
S
Q
N
---
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
N
V
V
K
V
A
D
F
G
------------------
F
P
---
I
K
W
T
A
P
E
A
I
S
Y
N
R
F
S
I
K
S
D
V
W
A
F
G
I
L
L
W
E
I
F
T
Y
G
Q
V
P
Y
P
G
M
S
G
S
E
V
I
E
Q
V
E
--
R
G
Y
R
M
P
R
P
Q
G
C
P
E
E
I
Y
E
L
M
L
Q
C
W
N
K
S
P
E
E
R
P
T
F
A
E
T
L
H
A
L
E
T
M
F
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
76
PsiBlast_CBE
91.29
33%
-104
- C2 -
1OPL
2
ABL1_HUMAN
A:
[237-515]
--------------------------------------------------------------------------------------------------------------------------
P
K
R
N
K
P
T
V
Y
GVS
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
N
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
91.23
34%
-106
- C2 -
1OPJ
2
ABL1_MOUSE
B:
[3-274]
-----------------------------------------------------------------------------------------------------------------------------
M
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
95
PsiBlast_CBE
91.13
34%
-103
- C2 -
3QRI
1
ABL1_HUMAN
A:
[4-274]
------------------------------------------------------------------------------------------------------------------------------
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
K
F
P
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
92
PsiBlast_CBE
90.98
34%
-99
- C2 -
3QRJ
1
ABL1_HUMAN
B:
[11-274]
-----------------------------------------------------------------------------------------------------------------------------------------
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
I
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
90.45
37%
-101
- C2 -
3PPZ
1
CTR1_ARATH
A:
[32-298]
-------------------------------------------------------------------------------------------------------------------------------------------
M
D
I
P
W
C
D
L
N
I
K
E
K
I
G
A
G
S
F
G
T
V
H
R
A
E
W
--
H
G
-
S
D
V
A
V
K
I
L
M
---
E
----
A
E
R
V
N
E
F
L
R
E
V
A
I
M
K
R
L
R
H
P
N
I
V
L
F
M
G
A
V
T
Q
P
P
N
L
S
I
V
T
E
Y
L
S
R
G
S
L
Y
---
R
L
L
H
K-
S
G
A
R
--
E
Q
L
D
E
R
R
R
----
L
S
M
A
Y
D
V
A
K
G
M
N
Y
L
H
N
R
N
-
P
P
I
V
H
R
D
L
K
S
P
N
L
L
V
D
K
K
Y
T
--------
V
K
V
C
D
F
G
L
S
R
--
L
K
A
S
T
F
L
S
S
KS
A
A
G
T
---
P
E
W
M
A
P
E
V
L
R
D
E
P
S
N
E
K
S
D
V
Y
S
F
G
V
I
L
W
E
L
A
T
-
L
Q
Q
P
W
G
N
L
N
P
A
Q
V
V
A
A
V
G
F
-
K
C
K
R
L
E
I
P
R
N
L
N
P
Q
V
A
A
I
I
E
G
C
W
T
N
E
P
W
K
R
P
S
F
A
T
I
M
D
L
L
R
P
L
I
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
75
PsiBlast_CBE
90.37
33%
-103
- C2 -
1OPK
3
ABL1_MOUSE
A:
[198-476]
--------------------------------------------------------------------------------------------------------------------------
P
K
R
N
K
P
T
I
Y
GVS
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
N
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
89.60
34%
-101
- C2 -
3K5V
2
ABL1_MOUSE
A:
[2-274]
----------------------------------------------------------------------------------------------------------------------------
A
M
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
-
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
87
PsiBlast_CBE
89.17
34%
-99
- C2 -
3CS9
1
ABL1_HUMAN
D:
[10-273]
-----------------------------------------------------------------------------------------------------------------------------------------
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
------
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
DYL
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
PsiBlast_CBE
88.89
34%
-102
- C2 -
1IEP
1
ABL1_MOUSE
B:
[3-274]
-----------------------------------------------------------------------------------------------------------------------------
M
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
REC
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
PsiBlast_CBE
88.84
33%
-105
- C2 -
4XEY
1
ABL1_HUMAN
A:
[116-381]
---------------------------------------------------------------------------------------------------------------------------------------
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
----
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
88.49
34%
-97
- C2 -
1IEP
1
ABL1_MOUSE
A:
[3-274]
-----------------------------------------------------------------------------------------------------------------------------
M
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
88.32
34%
-102
- C2 -
3MS9
2
ABL1_MOUSE
A:
[2-274]
----------------------------------------------------------------------------------------------------------------------------
A
M
D
P
------
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
------------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
--
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
88.02
34%
-101
- C2 -
1OPJ
2
ABL1_MOUSE
A:
[2-274]
----------------------------------------------------------------------------------------------------------------------------
A
M
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
87.92
32%
-101
- C2 -
3QGW
1
B:
[24-282]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
K
E
G
------
S
M
S
E
D
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
---------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
98
PsiBlast_CBE
87.88
34%
-100
- C2 -
3OY3
1
ABL1_MOUSE
B:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
I
E
F
M
T
Y
G
N
L
L
DYL
R
E
C
---
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
88
PsiBlast_CBE
87.87
34%
-115
- C2 -
3CS9
1
ABL1_HUMAN
B:
[10-273]
-----------------------------------------------------------------------------------------------------------------------------------------
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
---
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
--------------------P--
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
87.87
33%
-94
- C2 -
4HCT
1
A:
[7-267]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
R
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
87.83
33%
-109
- C2 -
4L7S
1
ITK_HUMAN
A:
[4-266]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
87.55
33%
-95
- C2 -
4HCU
1
A:
[7-267]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
R
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
87.51
34%
-103
- C2 -
3MS9
2
ABL1_MOUSE
B:
[2-274]
----------------------------------------------------------------------------------------------------------------------------
A
M
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
---
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
87.38
34%
-102
- C2 -
3K5V
2
ABL1_MOUSE
B:
[3-274]
-----------------------------------------------------------------------------------------------------------------------------
M
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
---
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
85
PsiBlast_CBE
87.32
34%
-105
- C2 -
2QOH
1
ABL1_MOUSE
B:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
---
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
REC
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
87.32
33%
-110
- C2 -
4L7S
1
B:
[4-266]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
87.09
33%
-96
- C2 -
3T9T
3
A:
[5-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
T
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
R
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
87.00
33%
-107
- C2 -
4PP9
1
B:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
-------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
86.98
38%
-102
- C2 -
4UEU
1
?
A:
[7-267]
--------------------------------------------------------------------------------------------------------------------------------------------
E
I
P
R
S
E
I
T
L
E
R
K
L
G
S
G
Q
F
G
E
V
Y
E
G
K
W
RN
Y
N
-
I
E
V
A
V
K
T
L
K
E
G
------
T
M
S
V
E
E
F
L
Q
E
A
Q
I
M
K
K
L
K
H
P
N
L
V
Q
L
Y
G
V
C
T
K
E
P
P
I
Y
I
I
T
E
Y
M
S
H
G
S
L
L
---
D
Y
L
R
DC
E
G
H
T
--
V
N
A
Q
--
A
L
----
L
D
M
A
A
Q
V
A
S
G
M
A
Y
L
E
S
Q
N
---
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
N
V
V
K
V
A
D
F
G
L
A
R
LI-----------
A
K
F
P
---
I
K
W
T
A
P
E
A
I
S
Y
N
R
F
S
I
K
S
D
V
W
A
F
G
I
L
L
W
E
I
F
T
Y
G
Q
V
P
Y
P
G
M
S
G
S
E
V
I
E
Q
V
E
--
R
G
Y
R
M
P
R
P
Q
G
C
P
E
E
I
Y
E
L
M
L
Q
C
W
N
K
S
P
E
E
R
P
T
F
A
E
T
L
H
A
L
E
T
M
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
86.96
34%
-103
- C2 -
1FPU
1
ABL1_MOUSE
B:
[3-274]
-----------------------------------------------------------------------------------------------------------------------------
M
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
-------
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
86.79
34%
-102
- C2 -
1M52
3
ABL1_MOUSE
B:
[10-274]
----------------------------------------------------------------------------------------------------------------------------------------
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
REC
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
86.76
34%
-102
- C2 -
1M52
1
ABL1_MOUSE
A:
[10-274]
----------------------------------------------------------------------------------------------------------------------------------------
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
89
PsiBlast_CBE
86.51
34%
-105
- C2 -
3CS9
1
ABL1_HUMAN
A:
[10-273]
-----------------------------------------------------------------------------------------------------------------------------------------
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
----
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
99
PsiBlast_CBE
86.50
34%
-99
- C2 -
3OY3
1
ABL1_MOUSE
A:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
I
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
90
PsiBlast_CBE
86.43
34%
-108
- C2 -
2HZI
1
ABL1_HUMAN
B:
[10-273]
-----------------------------------------------------------------------------------------------------------------------------------------
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
----
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
86.40
33%
-92
- C2 -
4M0Z
2
A:
[7-267]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
R
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
96
PsiBlast_CBE
86.33
34%
-106
- C2 -
2HZ0
1
ABL1_HUMAN
B:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
------
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
----
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
-------------------P--
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
91
PsiBlast_CBE
86.17
34%
-99
- C2 -
2HZI
1
ABL1_HUMAN
A:
[10-273]
-----------------------------------------------------------------------------------------------------------------------------------------
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
81
PsiBlast_CBE
86.17
34%
-103
- C2 -
3KFA
1
ABL1_MOUSE
B:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
REC
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
80
PsiBlast_CBE
85.99
34%
-106
- C2 -
2Z60
1
ABL1_MOUSE
A:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
---
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
I
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
82
PsiBlast_CBE
85.89
34%
-103
- C2 -
3KFA
1
ABL1_MOUSE
A:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
73
PsiBlast_CBE
85.89
32%
-106
- C2 -
3QGW
1
ITK_HUMAN
A:
[24-284]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
K
E
G
------
S
M
S
E
D
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------FP-
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
85.82
37%
-104
- C2 -
3P86
1
CTR1_ARATH
A:
[32-298]
-------------------------------------------------------------------------------------------------------------------------------------------
M
D
I
P
W
C
D
L
N
I
K
E
K
I
G
A
G
S
F
G
T
V
H
R
A
E
W
--
H
G
-
S
D
V
A
V
K
I
L
M
---
E
Q
D
F
H
A
E
R
V
N
E
F
L
R
E
V
A
I
M
K
R
L
R
H
P
N
I
V
L
F
M
G
A
V
T
Q
P
P
N
L
S
I
V
T
E
Y
L
S
R
G
S
L
Y
---
R
L
L
H
K-
S
G
A
R
--
E
Q
L
D
E
R
R
R
----
L
S
M
A
Y
D
V
A
K
G
M
N
Y
L
H
N
R
N
-
P
P
I
V
H
R
N
L
K
S
P
N
L
L
V
D
K
K
Y
T
--------
V
K
V
C
D
F
-------------------
G
T
---
P
E
W
M
A
P
E
V
L
R
D
E
P
S
N
E
K
S
D
V
Y
S
F
G
V
I
L
W
E
L
A
T
-
L
Q
Q
P
W
G
N
L
N
P
A
Q
V
V
A
A
V
G
F
-
K
C
K
R
L
E
I
P
R
N
L
N
P
Q
V
A
A
I
I
E
G
C
W
T
N
E
P
W
K
R
P
S
F
A
T
I
M
D
L
L
R
P
L
I
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
85.72
33%
-95
- C2 -
4HCV
1
A:
[7-267]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
R
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
84
PsiBlast_CBE
85.65
34%
-107
- C2 -
3KF4
1
ABL1_MOUSE
A:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
-----------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
K
R
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
85.54
32%
-106
- C2 -
4RFM
1
A:
[4-264]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
S
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
-----------------FP-
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
A
I
A
A
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
85.47
33%
-109
- C2 -
4KIO
3
ITK_HUMAN
C:
[4-266]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------FP-
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
85.35
33%
-110
- C2 -
3V8T
1
B:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
---------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
85.30
36%
-102
- C2 -
2YIY
1
M3K7_HUMAN
A:
[2-261]
------------------------------------------------------------------------------------------------------------------------------------------
L
H
M
I
D
Y
K
E
I
E
V
E
E
V
V
G
R
G
A
F
G
V
V
C
K
A
K
W
--
R
A
-
K
D
V
A
I
K
Q
I
E
S
E
S
E
R
---
K
A
F
I
V
E
L
R
Q
L
S
R
V
----
N
H
P
N
I
V
K
L
Y
G
A
C
L
N
P
--
V
C
L
V
M
E
Y
A
E
G
G
S
L
Y
---
N
V
L
---
H
G
A
E
--
P
L
P
Y
--
Y
T
A
A
H
A
M
S
W
C
L
Q
C
S
Q
G
V
A
Y
L
H
S
M
Q
P
K
A
L
I
H
R
D
L
K
P
P
N
L
L
L
V
A
-------
G
G
T
V
L
K
I
C
D
F
G
------------------
G
S
---
A
A
W
M
A
P
E
V
F
E
G
S
N
Y
S
E
K
C
D
V
F
S
W
G
I
I
L
W
E
V
I
T
-
R
R
K
P
F
D
E
I
G
G
P
A
F
R
I
M
W
A
V
H
N
G
T
R
P
P
L
I
K
N
L
P
K
P
I
E
S
L
M
T
R
C
W
S
K
D
P
S
Q
R
P
S
M
E
E
I
V
K
I
M
T
H
L
M
R
Y
F
P
G
A
D
E
P
L
Q
Y
P
C
Q
H
S
L
P
P
G
E
D
G
R
V
E
P
Y
V
D
F
A
E
F
Y
R
L
W
S
V
D
H
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
78
PsiBlast_CBE
85.23
34%
-104
- C2 -
3IK3
1
ABL1_MOUSE
B:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
I
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
K
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
83
PsiBlast_CBE
85.16
34%
-106
- C2 -
3KF4
1
ABL1_MOUSE
B:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
---
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
85.11
33%
-106
- C2 -
1SNU
1
B:
[2-261]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
---------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
85.06
33%
-109
- C2 -
3V8T
1
ITK_HUMAN
A:
[4-264]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
---
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
-------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
------
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
85.03
34%
-102
- C2 -
1FPU
1
ABL1_MOUSE
A:
[3-274]
-----------------------------------------------------------------------------------------------------------------------------
M
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
84.92
33%
-90
- C2 -
4M12
1
A:
[7-267]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
R
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
79
PsiBlast_CBE
84.50
34%
-111
- C2 -
3IK3
1
ABL1_MOUSE
A:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
I
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
--------
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
D
E
V
E
K
E
L
G
K
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
84.50
32%
-103
- C2 -
4MF1
1
ITK_HUMAN
A:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
---
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
S
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
-------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
A
I
A
A
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
84.45
36%
-101
- C2 -
4O91
1
M3K7_HUMAN
A:
[2-261]
------------------------------------------------------------------------------------------------------------------------------------------
L
H
M
I
D
Y
K
E
I
E
V
E
E
V
V
G
R
G
A
F
G
V
V
C
K
A
K
W
--
R
A
-
K
D
V
A
I
K
Q
I
E
S
E
S
E
R
---
K
A
F
I
V
E
L
R
Q
L
S
R
V
----
N
H
P
N
I
V
K
L
Y
G
A
C
L
N
P
--
V
C
L
V
M
E
Y
A
E
G
G
S
L
Y
---
N
V
L
---
H
G
A
E
--
P
L
P
Y
--
Y
T
A
A
H
A
M
S
W
C
L
Q
C
S
Q
G
V
A
Y
L
H
S
M
Q
P
K
A
L
I
H
R
D
L
K
P
P
N
L
L
L
V
A
-------
G
G
T
V
L
K
I
C
D
F
G
------------------
G
S
---
A
A
W
M
A
P
E
V
F
E
G
S
N
Y
S
E
K
C
D
V
F
S
W
G
I
I
L
W
E
V
I
T
-
R
R
K
P
F
D
E
I
G
G
P
A
F
R
I
M
W
A
V
H
N
G
T
R
P
P
L
I
K
N
L
P
K
P
I
E
S
L
M
T
R
C
W
S
K
D
P
S
Q
R
P
S
M
E
E
I
V
K
I
M
T
H
L
M
R
Y
F
P
G
A
D
E
P
L
Q
Y
P
C
Q
H
S
L
P
P
G
E
D
G
R
V
E
P
Y
V
D
F
A
E
F
Y
R
L
W
S
V
D
H
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
84.44
33%
-92
- C2 -
4M14
2
A:
[7-266]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
R
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
84.39
33%
-102
- C2 -
1SM2
1
ITK_HUMAN
A:
[2-263]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
84.36
34%
-94
- C2 -
2HZN
1
ABL1_MOUSE
A:
[3-274]
-----------------------------------------------------------------------------------------------------------------------------
M
D
P
S
S
----
P
N
Y
D
K
W
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
---
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
--
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
93
PsiBlast_CBE
84.33
34%
-104
- C2 -
4TWP
1
ABL1_HUMAN
B:
[4-264]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
I
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
I
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
84.31
33%
-110
- C2 -
3V5L
1
ITK_HUMAN
C:
[4-262]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
---
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------FP-
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
84.22
33%
-95
- C2 -
4M13
1
A:
[7-267]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
R
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
84.22
33%
-111
- C2 -
3V5L
1
ITK_HUMAN
A:
[4-262]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
----------
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
84.19
33%
-112
- C2 -
4KIO
2
ITK_HUMAN
A:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
---
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
------------
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
84.16
32%
-103
- C2 -
3QGY
1
ITK_HUMAN
A:
[22-284]
-------------------------------------------------------------------------------------------------------------------------------------------
M
V
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
K
E
G
------
S
M
S
E
D
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
84.13
33%
-113
- C2 -
3V8W
1
B:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
---------
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
83.98
33%
-113
- C2 -
4KIO
2
ITK_HUMAN
B:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
---
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
-------------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
83.90
33%
-99
- C2 -
1SNU
1
ITK_HUMAN
A:
[2-263]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
83.89
33%
-91
- C2 -
4M0Y
2
A:
[7-267]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
R
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
83.71
33%
-114
- C2 -
3V5J
1
B:
[4-266]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
----------
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
---------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
83.71
33%
-105
- C2 -
4PP9
1
ITK_HUMAN
A:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
83.50
33%
-110
- C2 -
3V5L
1
D:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
-
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
--------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
-------------------FP-
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
83.37
33%
-111
- C2 -
3V5J
1
ITK_HUMAN
A:
[4-264]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
-
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
--------
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
-
R
S
N
S
E
V
V
E
D
I
S
--
T
G
-
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
83.36
33%
-91
- C2 -
4M15
2
A:
[7-266]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
R
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
86
PsiBlast_CBE
82.76
34%
-106
* C2 *
2QOH
1
ABL1_MOUSE
A:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
---
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
---
D
Y
L
R
E
C
N
R
Q
E
--
V
S
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
---
N
F
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
Q
E
S
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
82.66
32%
-100
- C2 -
4PQN
2
A:
[4-261]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
S
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------FP-
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
A
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
97
PsiBlast_CBE
82.63
34%
-93
- C2 -
2HZ0
1
ABL1_HUMAN
A:
[9-269]
--------------------------------------------------------------------------------------------------------------------------------------------
E
M
E
R
T
D
I
T
M
K
H
K
L
G
G
G
Q
Y
G
E
V
Y
E
G
V
W
KK
Y
S
-
L
T
V
A
V
K
T
L
K
E
D
T
M
E
------
V
E
E
F
L
K
E
A
A
V
M
K
E
I
K
H
P
N
L
V
Q
L
L
G
V
C
T
R
E
P
P
F
Y
I
I
T
E
F
M
T
Y
G
N
L
L
D
Y
L
R
E
C
---
N
R
Q
E
--
V
N
A
V
--
V
L
----
L
Y
M
A
T
Q
I
S
S
A
M
E
Y
L
E
K
K
N
F
---
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
H
L
V
K
V
A
D
F
G
L
S
R
--
L
M
T
G
D
T
Y
T
A
--
H
A
G
A
KFP
I
K
W
T
A
P
E
S
L
A
Y
N
K
F
S
I
K
S
D
V
W
A
F
G
V
L
L
W
E
I
A
T
Y
G
M
S
P
Y
P
G
I
D
-
L
S
Q
V
Y
E
L
L
E
-
K
D
Y
R
M
E
R
P
E
G
C
P
E
K
V
Y
E
L
M
R
A
C
W
Q
W
N
P
S
D
R
P
S
F
A
E
I
H
Q
A
F
E
T
M
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
81.89
33%
-111
- C2 -
3V8W
1
ITK_HUMAN
A:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
-
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
-
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
81.84
32%
-96
- C2 -
3MJ2
1
A:
[4-261]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
S
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
--
F
V
L
D
D
Q
Y
T
S
--
S
T
G
T
KFP
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
A
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
81.78
32%
-99
- C2 -
3QGY
1
B:
[22-282]
-------------------------------------------------------------------------------------------------------------------------------------------
M
V
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
K
E
G
------
S
M
S
E
D
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
80.81
33%
-107
- C2 -
1SM2
1
B:
[2-261]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
R
E
G
------
A
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
---------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
80.20
32%
-101
- C2 -
4MF1
1
B:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
---
A
M
S
E
------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
S
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
R
-----------------FP-
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
A
I
A
A
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
79.97
32%
-111
- C2 -
3MJ1
1
A:
[4-261]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
-----------------
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
S
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
---------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
-
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
A
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
77.77
33%
-113
- C2 -
4PPC
2
ITK_HUMAN
A:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
----------------
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
---------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
77.71
33%
-106
- C2 -
4PPC
2
B:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
--
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
----------------
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
--
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
---------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
77.47
33%
-113
- C2 -
4PPA
2
ITK_HUMAN
A:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
-------------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
76.97
33%
-109
- C2 -
4PPA
2
B:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
-------------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
76.29
33%
-107
- C2 -
4MF0
2
B:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
---
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
----------
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
---------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
75.70
33%
-106
- C2 -
4MF0
2
ITK_HUMAN
A:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
---
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
----------
M
S
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
75.64
33%
-108
- C2 -
4QD6
2
B:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
------------
E
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
M
T
------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
74.83
33%
-105
- C2 -
4PPB
2
B:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
-------------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
73.84
33%
-106
- C2 -
4PPB
2
ITK_HUMAN
A:
[4-265]
---------------------------------------------------------------------------------------------------------------------------------------------
I
D
P
S
E
L
T
F
V
Q
E
I
G
S
G
Q
F
G
L
V
H
L
G
Y
W
--
L
N
K
D
K
V
A
I
K
T
I
-------------
E
D
F
I
E
E
A
E
V
M
M
K
L
S
H
P
K
L
V
Q
L
Y
G
V
C
L
E
Q
A
P
I
C
L
V
F
E
F
M
E
H
G
C
L
S
---
D
Y
L
---
R
T
Q
R
GL
F
A
A
E
--
T
L
----
L
G
M
C
L
D
V
C
E
G
M
A
Y
L
E
E
A
C
---
V
I
H
R
D
L
A
A
R
N
C
L
V
G
E
--------
N
Q
V
I
K
V
S
D
F
G
--------------------P--
V
K
W
A
S
P
E
V
F
S
F
S
R
Y
S
S
K
S
D
V
W
S
F
G
V
L
M
W
E
V
F
S
E
G
K
I
P
Y
E
N
R
S
N
S
E
V
V
E
D
I
S
--
T
G
F
R
L
Y
K
P
R
L
A
S
T
H
V
Y
Q
I
M
N
H
C
W
K
E
R
P
E
D
R
P
A
F
S
R
L
L
R
Q
L
A
E
I
A
E
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------