@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 : ULK2_HUMAN: (2015-10-21 )
MEVVGDFEYSKRDLVGHGAFAVVFRGRHRQKTDWEVAIKSINKKNLSKSQILLGKEIKILKELQHENIVALYDVQELPNSVFLVMEYCNGGDLADYLQAKGTLSEDTIRVFLHQIAAAMRILHSKGIIHRDLKPQNILLSYANRRKSSVSGIRIKIADFGFARYLHSNMMAATLCGSPMYMAPEVIMSQHYDAKADLWSIGTVIYQCLVGKPPFQANSPQDLRMFYEKNRSLMPSIPRETSPYLANLLLGLLQRNQKDRMDFEAFFSHPFLEQGPVKKSCPVPVPMYSGSVSGSSCGSSPSCRFASPPSLPDMQHIQEENLSSPPLGPPNYLQVSKDSASTSSKNSSCDTDDFVLVPHNISSDHSCDMPVGTAGRRASNEFLVCGGQCQPTVSPHSETAPIPVPTQIRNYQRIEQNLTSTASSGTNVHGSPRSAVVRRSNTSPMGFLRPGSCSPVPADTAQTVGRRLSTGSSRPYSPSPLVGTIPEQFSQCCCGHPQGHDSRSRNSSGSPVPQAQSPQSLLSGARLQSAPTLTDIYQNKQKLRKQHSDPVCPSHTGAGYSYSPQPSRPGSLGTSPTKHLGSSPRSSDWFFKTPLPTIIGSPTKTTAPFKIPKTQASSNLLALVTRHGPAEEQSKDGNEPRECAHCLLVQGSERQRAEQQSKAVFGRSVSTGKLSDQQGKTPICRHQGSTDSLNTERPMDIAPAGACGGVLAPPAGTAASSKAVLFTVGSPPHSAAAPTCTHMFLRTRTTSVGPSNSGGSLCAMSGRVCVGSPPGPGFGSSPPGAEAAPSLRYVPYGASPPSLEGLITFEAPELPEETLMEREHTDTLRHLNVMLMFTECVLDLTAMRGGNPELCTSAVSLYQIQESVVVDQISQLSKDWGRVEQLVLYMKAAQLLAASLHLAKAQIKSGKLSPSTAVKQVVKNLNERYKFCITMCKKLTEKLNRFFSDKQRFIDEINSVTAEKLIYNCAVEMVQSAALDEMFQQTEDIVYRYHKAALLLEGLSRILQDPADIENVHKYKCSIERRLSALCHSTATV
Atome Classification :
(72 SA)
.........10........20........30........40....-------....50--.--.--....-----...60........70........80........90........100-.......110.......120.......130.......140.......150.......160---.....-..170.......180......---.190-.-......200.......210......-----.220-.-----.-......230...--....240.......250.......260.......270----........280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580.......590.......600.......610.......620.......630.......640.......650.......660.......670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850.......860.......870.......880.......890.......900.......910.......920.......930.......940.......950.......960.......970.......980.......990.......1000......1010......1020......1030...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MEVVGDFEYSKRDLVGH
G
A
F
A
V
V
FRGRHRQKT
D
W
E
V
A
I
K
SINKKN-------LSK
S
Q
---I--L--LG
K
E
-----
I
K
I
L
K
E
L
QHE
N
I
V
A
L
Y
D
V
Q
ELPN
S
V
F
L
V
M
E
YCNGG
D
L
A
D
Y
L
Q
AKGT-L
S
E
D
T
I
R
V
F
L
H
Q
I
A
A
A
M
R
I
L
H
SKGIIHRDLKP
Q
N
I
L
L
S
Y
A
NRRKSSVS
G
I
R
I
K
I
A
D
F
G
F
A
---
R
Y
L
H
S-N
M
M
A
A
TLCGSPMYM
A
P
E
V
I
M
S
---QHYD-A-KA
D
L
W
S
I
G
T
V
I
Y
Q
C
LVGKPPFQANS-----
P
Q
-
D
-
L
-----
R
-
M
F
Y
E
KNRSLMPS--IPRET
S
P
Y
L
A
N
L
L
L
G
L
L
QRNQKDRM
D
F
E
A
F
FSHPFL-----EQGPVKKSCPVPVPMYSGSVSGSSCGSSPSCRFASPPSL
P
D
M
Q
H
I
Q
E
ENLSSPPLGPPN
Y
L
Q
VSKDSASTSSKNSSCDTD
D
F
V
L
VPHNISSDHSCDMPVGTAGRRASN
E
F
L
V
CGGQCQPTVSPHSETAPIPV
P
T
Q
I
R
N
Y
Q
R
I
E
Q
N
L
T
STASSGTNVHGSP
R
S
A
V
V
RRSNTSPM
G
F
LRPGSCSPVPA
D
T
A
Q
T
V
G
R
RLSTGSSRPYSPSPLVGT
I
P
E
Q
F
S
Q
C
CCGHPQGHDSRSRNSSGSPVPQAQ
S
P
Q
S
L
L
SGARLQSAP
T
L
T
D
I
Y
Q
N
K
Q
K
L
R
K
QHSDPVCPSHTGAGYSYSPQPSRPGSLGT
S
P
T
K
HLGSSPRSSD
W
F
FKTP
L
P
T
IIGSPTKTTAPFKIPKTQASS
N
L
L
A
L
V
TRHGPAEEQSKDGN
E
P
R
E
C
A
H
C
LLVQGS
E
R
Q
R
A
E
Q
Q
S
K
A
V
FGRSVSTGKLSDQQGKT
P
I
CRHQGSTDSLNTERPMDIAPAGACGGVLAPPAGTAASS
K
A
V
L
F
T
VGSPPHSAAA
P
T
C
T
H
M
F
L
R
T
R
TTSVGPSNSGG
S
L
C
A
MSG
R
V
C
VGSPPGPGFGSSPPGAEAAPS
L
R
YVPYGASPPSL
E
G
L
I
T
FEAPEL
P
E
E
T
L
M
E
R
EH
T
D
T
L
R
H
L
N
V
M
L
M
F
T
E
C
V
L
D
L
T
AMRGG
N
P
E
L
C
T
S
A
V
S
L
Y
Q
I
Q
E
S
V
V
V
D
Q
I
S
Q
L
S
K
D
W
G
R
V
E
Q
L
V
L
Y
M
K
A
A
Q
L
L
A
A
S
L
H
L
A
K
A
Q
IKSGKLS
P
S
T
A
V
K
Q
V
V
K
N
L
N
E
R
Y
K
F
C
I
T
M
C
K
K
L
T
E
K
L
N
R
F
F
S
D
K
Q
R
F
I
D
E
I
N
S
V
T
A
E
K
L
I
Y
N
C
A
V
E
M
V
Q
S
A
A
L
D
E
M
F
Q
Q
T
E
D
I
V
Y
R
Y
H
K
A
A
L
L
L
E
G
L
S
R
I
LQDPA
D
I
E
N
V
H
K
Y
K
C
S
I
E
R
R
L
S
A
L
C
HSTATV
1
PsiBlast_PDB
68.63
77%
-81
- C3 -
4WNO
1
ULK1_HUMAN
A:
[13-284]
-
E
T
V
G
K
F
E
F
S
R
K
D
L
I
G
H
G
A
F
A
V
V
F
K
G
R
H
R
A
A
H
D
L
E
V
A
V
K
C
I
N
K
K
N
-------
L
A
K
S
Q
---
T
--
L
--
L
G
K
E
-----
I
K
I
L
K
E
L
K
H
E
N
I
V
A
L
Y
D
F
Q
E
M
A
N
S
V
Y
L
V
M
E
Y
C
N
G
G
D
L
A
D
Y
L
H
A
M
R
T
-
L
S
E
D
T
I
R
L
F
L
Q
Q
I
A
G
A
M
R
L
L
H
S
K
G
I
I
H
R
D
L
K
P
Q
N
I
L
L
S
N
P
A
G
R
R
A
N
P
N
S
I
R
V
K
I
A
D
F
G
F
A
---
R
Y
L
Q
S
-
N
M
M
A
A
T
L
C
G
S
P
M
Y
M
A
P
E
V
I
M
S
---
Q
H
Y
D
-
G
-
K
A
D
L
W
S
I
G
T
I
V
Y
Q
C
L
T
G
K
A
P
F
Q
A
S
S
-----
P
Q
-
D
-
L
-----
R
-
L
F
Y
E
K
N
K
T
L
V
P
T
--
I
P
R
E
T
S
A
P
L
R
Q
L
L
L
A
L
L
Q
R
N
H
K
D
R
M
D
F
D
E
F
F
H
H
P
F
L
-----
D
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
68.01
77%
-81
- C3 -
4WNP
3
ULK1_HUMAN
A:
[13-284]
-
E
T
V
G
K
F
E
F
S
R
K
D
L
I
G
H
G
A
F
A
V
V
F
K
G
R
H
R
A
A
H
D
L
E
V
A
V
K
C
I
N
K
K
N
-------
L
A
K
S
Q
---
T
--
L
--
L
G
K
E
-----
I
K
I
L
K
E
L
K
H
E
N
I
V
A
L
Y
D
F
Q
E
M
A
N
S
V
Y
L
V
M
E
Y
C
N
G
G
D
L
A
D
Y
L
H
A
M
R
T
-
L
S
E
D
T
I
R
L
F
L
Q
Q
I
A
G
A
M
R
L
L
H
S
K
G
I
I
H
R
D
L
K
P
Q
N
I
L
L
S
N
P
A
G
R
R
A
N
P
N
S
I
R
V
K
I
A
D
F
G
F
A
---
R
Y
L
Q
S
-
N
M
M
A
A
T
L
C
G
S
P
M
Y
M
A
P
E
V
I
M
S
---
Q
H
Y
D
-
G
-
K
A
D
L
W
S
I
G
T
I
V
Y
Q
C
L
T
G
K
A
P
F
Q
A
S
S
-----
P
Q
-
D
-
L
-----
R
-
L
F
Y
E
K
N
K
T
L
V
P
T
--
I
P
R
E
T
S
A
P
L
R
Q
L
L
L
A
L
L
Q
R
N
H
K
D
R
M
D
F
D
E
F
F
H
H
P
F
L
-----
D
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
67.92
77%
-79
- C3 -
4WNP
1
ULK1_HUMAN
D:
[13-284]
-
E
T
V
G
K
F
E
F
S
R
K
D
L
I
G
H
G
A
F
A
V
V
F
K
G
R
H
R
A
A
H
D
L
E
V
A
V
K
C
I
N
K
K
N
-------
L
A
K
S
Q
---
T
--
L
--
L
G
K
E
-----
I
K
I
L
K
E
L
K
H
E
N
I
V
A
L
Y
D
F
Q
E
M
A
N
S
V
Y
L
V
M
E
Y
C
N
G
G
D
L
A
D
Y
L
H
A
M
R
T
-
L
S
E
D
T
I
R
L
F
L
Q
Q
I
A
G
A
M
R
L
L
H
S
K
G
I
I
H
R
D
L
K
P
Q
N
I
L
L
S
N
P
A
G
R
R
A
N
P
N
S
I
R
V
K
I
A
D
F
G
F
A
---
R
Y
L
Q
S
-
N
M
M
A
A
T
L
C
G
S
P
M
Y
M
A
P
E
V
I
M
S
---
Q
H
Y
D
-
G
-
K
A
D
L
W
S
I
G
T
I
V
Y
Q
C
L
T
G
K
A
P
F
Q
A
S
S
-----
P
Q
-
D
-
L
-----
R
-
L
F
Y
E
K
N
K
T
L
V
P
T
--
I
P
R
E
T
S
A
P
L
R
Q
L
L
L
A
L
L
Q
R
N
H
K
D
R
M
D
F
D
E
F
F
H
H
P
F
L
-----
D
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
67.85
77%
-80
- C3 -
4WNP
2
ULK1_HUMAN
B:
[13-284]
-
E
T
V
G
K
F
E
F
S
R
K
D
L
I
G
H
G
A
F
A
V
V
F
K
G
R
H
R
A
A
H
D
L
E
V
A
V
K
C
I
N
K
K
N
-------
L
A
K
S
Q
---
T
--
L
--
L
G
K
E
-----
I
K
I
L
K
E
L
K
H
E
N
I
V
A
L
Y
D
F
Q
E
M
A
N
S
V
Y
L
V
M
E
Y
C
N
G
G
D
L
A
D
Y
L
H
A
M
R
T
-
L
S
E
D
T
I
R
L
F
L
Q
Q
I
A
G
A
M
R
L
L
H
S
K
G
I
I
H
R
D
L
K
P
Q
N
I
L
L
S
N
P
A
G
R
R
A
N
P
N
S
I
R
V
K
I
A
D
F
G
F
A
---
R
Y
L
Q
S
-
N
M
M
A
A
T
L
C
G
S
P
M
Y
M
A
P
E
V
I
M
S
---
Q
H
Y
D
-
G
-
K
A
D
L
W
S
I
G
T
I
V
Y
Q
C
L
T
G
K
A
P
F
Q
A
S
S
-----
P
Q
-
D
-
L
-----
R
-
L
F
Y
E
K
N
K
T
L
V
P
T
--
I
P
R
E
T
S
A
P
L
R
Q
L
L
L
A
L
L
Q
R
N
H
K
D
R
M
D
F
D
E
F
F
H
H
P
F
L
-----
D
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
67.34
77%
-82
- C3 -
4WNP
1
ULK1_HUMAN
C:
[13-283]
-
E
T
V
G
K
F
E
F
S
R
K
D
L
I
G
H
G
A
F
A
V
V
F
K
G
R
H
R
A
A
H
D
L
E
V
A
V
K
C
I
N
K
K
N
-------
L
A
K
S
Q
---
T
--
L
--
L
G
K
E
-----
I
K
I
L
K
E
L
K
H
E
N
I
V
A
L
Y
D
F
Q
E
M
A
N
S
V
Y
L
V
M
E
Y
C
N
G
G
D
L
A
D
Y
L
H
A
M
R
T
-
L
S
E
D
T
I
R
L
F
L
Q
Q
I
A
G
A
M
R
L
L
H
S
K
G
I
I
H
R
D
L
K
P
Q
N
I
L
L
S
N
P
A
G
R
R
A
N
P
N
S
I
R
V
K
I
A
D
F
G
F
A
---
R
Y
L
Q
S
-
N
M
M
A
A
T
L
C
G
S
P
M
Y
M
A
P
E
V
I
M
S
---
Q
H
Y
D
-
G
-
K
A
D
L
W
S
I
G
T
I
V
Y
Q
C
L
T
G
K
A
P
F
Q
A
S
S
-----
P
Q
-
D
-
L
-----
R
-
L
F
Y
E
K
N
K
T
L
V
P
T
--
I
P
R
E
T
S
A
P
L
R
Q
L
L
L
A
L
L
Q
R
N
H
K
D
R
M
D
F
D
E
F
F
H
H
P
F
L
-----
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
65.00
32%
-123
- C3 -
3EFW
1
AURKA_HUMAN
B:
[132-383]
-----
D
F
E
I
G
R
P
--
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
K
Q
-
S
K
F
I
L
A
L
K
V
L
F
K
A
Q
-------
L
E
K
A
G
---
V
E
H
Q
--
L
R
R
E
-----
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
K
-
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
L
G
S
A
G
---------
E
L
K
I
A
D
F
----------------------
L
D
Y
L
P
P
E
M
I
E
---------
E
-
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
K
P
P
F
E
A
N
T
-----
Y
Q
-
E
-
T
---------
Y
K
R
I
S
R
V
E
F
T
--
F
P
D
F
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
P
S
Q
R
P
M
L
R
E
V
L
E
H
P
W
I
-----
T
A
N
S
S
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
63.85
32%
-121
- C3 -
3EFW
1
AURKA_HUMAN
A:
[132-383]
-----
D
F
E
I
G
R
P
--
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
K
Q
-
S
K
F
I
L
A
L
K
V
L
F
K
A
Q
-------
L
E
K
A
G
---
V
E
H
Q
--
L
R
R
E
-----
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
K
-
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
L
G
S
A
G
---------
E
L
K
I
A
D
F
----------------------
L
D
Y
L
P
P
E
M
I
E
-----------
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
K
P
P
F
E
A
N
T
-----
Y
Q
-
E
-
T
---------
Y
K
R
I
S
R
V
E
F
T
--
F
P
D
F
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
P
S
Q
R
P
M
L
R
E
V
L
E
H
P
W
I
-----
T
A
N
S
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
102
PsiBlast_CBE
60.16
33%
-117
- C3 -
2YIT
1
CHK2_HUMAN
A:
[11-285]
-------
E
Y
I
M
S
K
T
L
G
S
G
A
C
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
-----------------
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
101
PsiBlast_CBE
60.00
32%
-110
- C3 -
2WTW
1
AURKA_HUMAN
A:
[14-265]
-----
D
F
E
I
G
R
P
--
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
K
Q
-
S
K
F
I
L
A
L
K
V
L
F
K
A
Q
-------
L
E
K
A
G
---
V
E
H
Q
--
L
R
R
E
-----
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
R
G
E
V
Y
K
E
L
Q
K
L
S
K
-
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
L
G
S
A
G
---------
E
L
K
I
A
D
F
G
W
S
---
V
H
A
P
S
--------
C
G
T
L
D
Y
L
P
P
E
M
I
E
G
---
R
M
H
D
-
E
-
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
K
P
P
F
E
A
N
T
-----
Y
Q
-
E
-
T
---------
Y
K
R
I
S
R
V
E
F
T
--
F
P
D
F
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
P
S
Q
R
P
M
L
R
E
V
L
E
H
P
W
I
-----
T
A
N
S
S
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
59.12
33%
-102
- C3 -
3DFC
1
DAPK1_HUMAN
B:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
K
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
DIERE
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
59.04
35%
-130
- C3 -
3COK
1
PLK4_HUMAN
A:
[8-267]
-
E
K
I
E
D
F
K
V
G
--
N
L
L
G
K
G
S
F
A
G
V
Y
R
A
E
S
I
H
-
T
G
L
E
V
A
I
K
M
I
D
K
K
A
-------
M
Y
K
A
G
---
M
--
V
Q
R
V
Q
N
E
-----
V
K
I
H
C
Q
L
K
H
P
S
I
L
E
L
Y
N
Y
F
E
D
S
N
Y
V
Y
L
V
L
E
M
C
H
N
G
E
M
N
R
Y
L
K
N
R
V
K
P
F
S
E
N
E
A
R
H
F
M
H
Q
I
I
T
G
M
L
Y
L
H
S
H
G
I
L
H
R
D
L
T
L
S
N
L
L
L
T
---------
R
N
M
N
I
K
I
A
D
F
G
L
A
---
T
Q
L
K
---------------------------------
E
S
D
V
W
S
L
G
C
M
F
Y
T
L
L
I
G
R
P
P
F
D
T
D
T
-----
V
K
------------------
V
V
L
A
D
YE
M
P
S
F
L
S
I
E
A
K
D
L
I
H
Q
L
L
R
R
N
P
A
D
R
L
S
L
S
S
V
L
D
H
P
F
M
-----
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
97
PsiBlast_CBE
58.98
33%
-100
- C3 -
1JKL
1
DAPK1_HUMAN
A:
[6-275]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
105
PsiBlast_CBE
58.97
33%
-113
- C3 -
2YCS
1
CHK2_HUMAN
A:
[11-285]
-------
E
Y
I
M
S
K
T
L
G
S
---
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
---
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
85
PsiBlast_CBE
58.70
33%
-114
- C3 -
2WTI
3
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
----
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------P
A
-
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
-
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
58.59
33%
-101
- C3 -
3GU6
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
V
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
94
PsiBlast_CBE
58.55
33%
-101
- C3 -
3EHA
1
DAPK1_HUMAN
A:
[6-275]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
-
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
76
PsiBlast_CBE
58.55
33%
-113
- C3 -
4BDC
2
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
----
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
-
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
87
PsiBlast_CBE
58.52
33%
-112
- C3 -
2WTC
1
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
----
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------P
A
-
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
---
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
V
G
T
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
58.46
33%
-102
- C3 -
3GU7
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
V
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
84
PsiBlast_CBE
58.39
33%
-113
- C3 -
2WTJ
5
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
----
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------P
A
-
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
-
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
73
PsiBlast_CBE
58.38
33%
-116
- C3 -
4BDF
3
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
----
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
58.36
35%
-125
- C3 -
4YUR
1
PLK4_HUMAN
A:
[10-269]
-
E
K
I
E
D
F
K
V
G
--
N
L
L
G
K
G
S
F
A
G
V
Y
R
A
E
S
I
H
-
T
G
L
E
V
A
I
K
M
I
D
K
K
A
-------
M
Y
K
A
G
---
M
--
V
Q
R
V
Q
N
E
-----
V
K
I
H
C
Q
L
K
H
P
S
I
L
E
L
Y
N
Y
F
E
D
S
N
Y
V
Y
L
V
L
E
M
C
H
N
G
E
M
N
R
Y
L
K
N
R
V
K
P
F
S
E
N
E
A
R
H
F
M
H
Q
I
I
T
G
M
L
Y
L
H
S
H
G
I
L
H
R
D
L
T
L
S
N
L
L
L
T
---------
R
N
M
N
I
K
I
A
D
F
---------------------------------------
G
-
L
-
E
S
D
V
W
S
L
G
C
M
F
Y
T
L
L
I
G
R
P
P
F
---
T
-----
V
K
-
N
------------
T
L
N
K
V
V
L
A
D
Y
E
M
P
S
F
L
S
I
E
A
K
D
L
I
H
Q
L
L
R
R
N
P
A
D
R
L
S
L
S
S
V
L
D
H
P
F
M
-----
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
58.26
33%
-103
- C3 -
2W4J
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
58.25
33%
-114
- C3 -
4BDJ
1
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
-----
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
-
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
80
PsiBlast_CBE
58.10
33%
-108
- C3 -
4A9T
4
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
---
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------P
A
-
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
106
PsiBlast_CBE
58.09
33%
-113
- C3 -
2YCQ
1
CHK2_HUMAN
A:
[11-285]
-------
E
Y
I
M
S
K
T
L
G
S
G
A
C
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
57.99
33%
-118
- C3 -
4BDH
4
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
------
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
100
PsiBlast_CBE
57.91
33%
-114
* C3 *
2YCR
1
CHK2_HUMAN
A:
[11-285]
-------
E
Y
I
M
S
K
T
L
G
S
---
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
K
P
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
57.84
33%
-100
- C3 -
3GU4
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
V
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
57.82
33%
-102
- C3 -
3GU5
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
V
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
91
PsiBlast_CBE
57.50
33%
-101
- C3 -
4YPD
1
DAPK1_HUMAN
A:
[6-275]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
99
PsiBlast_CBE
57.48
33%
-101
- C3 -
1IG1
1
DAPK1_HUMAN
A:
[6-275]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
77
PsiBlast_CBE
57.31
33%
-115
- C3 -
4BDB
10
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
------
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
-----------------
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
-
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
86
PsiBlast_CBE
57.29
33%
-114
- C3 -
2WTD
4
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
----
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------P
A
-
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
---
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
83
PsiBlast_CBE
57.27
33%
-113
- C3 -
2XM9
1
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
---
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------P
A
-
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
57.20
33%
-111
- C3 -
2JAM
3
KCC1G_HUMAN
A:
[15-266]
------------
E
V
L
G
S
G
A
F
S
E
V
F
L
V
K
Q
R
L
-
T
G
K
L
F
A
L
K
C
I
-
K
K
S
------------------
S
--
L
E
N
E
-----
I
A
V
L
K
K
I
K
H
E
N
I
V
T
L
E
D
I
Y
E
S
T
T
H
Y
Y
L
V
M
Q
L
V
S
G
G
E
L
F
D
R
I
L
E
R
G
V
-
Y
T
E
K
D
A
S
L
V
I
Q
Q
V
L
S
A
V
K
Y
L
H
E
N
G
I
V
H
R
D
L
K
P
E
N
L
L
--
Y
L
T
P
E
E
N
S
----
K
I
M
I
T
D
F
G
L
S
---
K
-
M
E
Q
-
N
G
I
M
S
T
A
C
G
T
P
G
Y
V
A
P
E
V
L
A
Q
---
K
P
Y
S
-
K
-
A
V
D
C
W
S
I
G
V
I
T
Y
I
L
L
C
G
Y
P
P
F
Y
E
E
T
-----
E
S
-
K
-
L
F
E
K
I
K
E
-
G
Y
Y
E
F
E
S
P
F
W
D
D
--
I
S
E
S
A
K
D
F
I
C
H
----
L
L
E
K
D
P
N
E
R
Y
T
C
E
K
A
L
S
H
P
W
I
-----
D
G
N
T
A
L
H
R
D
I
Y
P
S
V
S
L
Q
I
Q
K
N
F
A
K
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
57.18
33%
-115
- C3 -
4BDG
2
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
---
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
81
PsiBlast_CBE
57.16
33%
-111
- C3 -
4A9S
1
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
------
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------P
A
-
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
---
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
79
PsiBlast_CBE
57.07
33%
-109
- C3 -
4A9U
10
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
----
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------DP
A
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
---
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
95
PsiBlast_CBE
57.00
33%
-103
- C3 -
3EH9
1
DAPK1_HUMAN
A:
[6-275]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
------
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
-
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
89
PsiBlast_CBE
56.93
33%
-113
- C3 -
2CN5
1
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
G
A
C
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
R
-------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
104
PsiBlast_CBE
56.90
33%
-108
- C3 -
2YIQ
1
CHK2_HUMAN
A:
[11-285]
-------
E
Y
I
M
S
K
T
L
G
----
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
-----------------------
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
98
PsiBlast_CBE
56.88
33%
-100
- C3 -
1JKK
1
DAPK1_HUMAN
A:
[6-275]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
F
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
75
PsiBlast_CBE
56.77
33%
-118
- C3 -
4BDD
3
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
------
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
---
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
56.69
33%
-116
- C3 -
3ZXT
1
DAPK1_HUMAN
D:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
-------------------------
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
-----
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
-----------
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
56.60
35%
-121
- C3 -
4JXF
2
PLK4_HUMAN
A:
[4-264]
-
E
K
I
E
D
F
K
V
G
--
N
L
L
G
K
G
S
F
A
G
V
Y
R
A
E
-
S
I
H
T
G
L
E
V
A
I
K
M
I
D
K
K
A
-------
M
Y
K
A
G
---
M
--
V
Q
R
V
Q
N
E
-----
V
K
I
H
C
Q
L
K
H
P
S
I
L
E
L
Y
N
Y
F
E
D
S
N
Y
V
Y
L
V
L
E
M
C
H
N
G
E
M
N
R
Y
L
K
N
R
V
K
P
F
S
E
N
E
A
R
H
F
M
H
Q
I
I
T
G
M
L
Y
L
H
S
H
G
I
L
H
R
D
L
T
L
S
N
L
L
L
T
---------
R
N
M
N
I
K
I
A
D
F
G
L
A
---
T
Q
L
K
M
P
H
E
------------------------------
S
D
V
W
S
L
G
C
M
F
Y
T
L
L
I
G
R
P
P
F
---------
V
K
-
N
------------
T
L
N
K
V
V
L
A
D
Y
E
M
P
S
F
L
S
I
E
A
K
D
L
I
H
Q
L
L
R
R
N
P
A
D
R
L
S
L
S
S
V
L
D
H
P
F
M
-----
S
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
78
PsiBlast_CBE
56.57
33%
-114
- C3 -
4BDA
8
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
----
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
-
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
56.35
33%
-98
- C3 -
1WVY
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
PsiBlast_CBE
56.31
33%
-114
- C3 -
4BDE
5
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
------
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------A--
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
---
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
88
PsiBlast_CBE
56.24
33%
-110
- C3 -
2CN8
1
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
S
----
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------------
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
---
T
S
L
M
R
T
L
C
--
P
T
Y
L
A
P
E
V
L
V
S
V
G
T
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
--------V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
82
PsiBlast_CBE
55.79
33%
-109
- C3 -
4A9R
2
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
------
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------P
A
-
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
92
PsiBlast_CBE
55.75
33%
-102
- C3 -
4YO4
1
DAPK1_HUMAN
A:
[6-275]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
Q
F
E
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
90
PsiBlast_CBE
55.66
33%
-98
- C3 -
3F5U
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
-
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
P
Q
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
55.42
33%
-101
- C3 -
4TXC
7
DAPK1_HUMAN
A:
[26-295]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
103
PsiBlast_CBE
55.20
33%
-112
- C3 -
2YIR
1
CHK2_HUMAN
A:
[11-285]
-------
E
Y
I
M
S
K
T
L
G
S
G
A
C
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
-----------------
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
54.77
33%
-107
- C3 -
2JAM
3
KCC1G_HUMAN
B:
[15-266]
------------
E
V
L
G
S
G
A
F
S
E
V
F
L
V
K
Q
R
L
-
T
G
K
L
F
A
L
K
C
I
-
K
K
S
------------------
S
--
L
E
N
E
-----
I
A
V
L
K
K
I
K
H
E
N
I
V
T
L
E
D
I
Y
E
S
T
T
H
Y
Y
L
V
M
Q
L
V
S
G
G
E
L
F
D
R
I
L
E
R
G
V
-
Y
T
E
K
D
A
S
L
V
I
Q
Q
V
L
S
A
V
K
Y
L
H
E
N
G
I
V
H
R
D
L
K
P
E
N
L
L
--
Y
L
T
P
E
E
N
S
----
K
I
M
I
T
D
F
G
L
S
---
K
-
M
E
Q
-
N
G
I
M
S
T
A
C
G
T
P
G
Y
V
A
P
E
V
L
A
Q
---
K
P
Y
S
-
K
-
A
V
D
C
W
S
I
G
V
I
T
Y
I
L
L
C
G
Y
P
P
F
Y
E
E
T
-----
E
S
-
K
-
L
F
E
K
I
K
E
-
G
Y
Y
E
F
E
S
P
F
W
D
D
--
I
S
E
S
A
K
D
F
I
C
H
----
L
L
E
K
D
P
N
E
R
Y
T
C
E
K
A
L
S
H
P
W
I
-----
D
G
N
T
A
L
H
R
D
I
Y
P
S
V
S
L
Q
I
Q
K
N
F
A
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
54.76
33%
-114
- C3 -
4BDK
4
CHK2_HUMAN
A:
[17-291]
-------
E
Y
I
M
S
K
T
L
G
----
G
E
V
K
L
A
F
E
R
-
K
T
C
K
K
V
A
I
K
I
I
S
K
--------------A--
L
--
N
--
V
E
T
E
-----
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
-
A
E
D
Y
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
V
G
N
K
R
-
L
K
E
A
T
C
K
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
------
S
Q
E
E
D
C
L
I
K
I
T
D
F
G
H
S
---
K
I
L
G
E
-
T
S
L
M
R
T
L
C
G
T
P
T
Y
L
A
P
E
V
L
V
S
VGT
A
G
Y
N
-
R
-
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
G
Y
P
P
F
S
E
H
R
-----
T
Q
V
S
-
L
-----
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
--
V
W
A
E
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
-----
Q
D
E
D
M
K
R
K
F
Q
D
L
L
S
E
E
N
E
S
T
A
L
P
Q
V
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
54.46
33%
-104
- C3 -
2YAK
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
54.32
33%
-107
- C3 -
4FG9
1
KCC1A_HUMAN
A:
[20-276]
--------
Y
D
F
R
D
V
L
G
T
G
A
F
S
E
V
I
L
A
E
D
K
-
R
T
Q
K
L
V
A
I
K
C
I
A
K
E
-----------------------
E
N
E
-----
I
A
V
L
H
K
I
K
H
P
N
I
V
A
L
D
D
I
Y
E
S
G
G
H
L
Y
L
I
M
Q
L
V
S
G
G
E
L
F
D
R
I
V
E
K
G
F
-
Y
T
E
R
D
A
S
R
L
I
F
Q
V
L
D
A
V
K
Y
L
H
D
L
G
I
V
H
R
D
L
K
P
E
N
-
L
L
Y
Y
S
L
D
E
D
S
-----
K
I
M
I
S
D
F
----------------------
P
G
Y
V
A
P
E
V
L
A
Q
---
K
P
Y
S
-
K
-
A
V
D
C
W
S
I
G
V
I
A
Y
I
L
L
C
G
Y
P
P
F
Y
D
E
N
D
A
K
L
F
E
Q
-
I
-
L
-----
K
-
A
E
Y
E
F
D
S
P
Y
W
D
D
--
I
S
D
S
A
K
D
F
I
R
H
----
L
M
E
K
D
P
E
K
R
F
T
C
E
Q
A
L
Q
H
P
W
I
-----
A
G
D
T
A
L
D
K
N
I
H
Q
S
V
S
E
Q
I
K
K
N
F
A
K
S
K
W
K
Q
A
F
N
A
T
A
V
V
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
54.19
31%
-108
- C3 -
4CZU
3
CIPKN_ARATH
C:
[10-271]
---
V
G
K
Y
E
L
G
R
--
T
L
G
E
G
T
F
A
K
V
K
F
A
R
N
V
E
N
G
D
-
N
V
A
I
K
V
I
D
K
E
K
-------
V
L
K
N
K
---
M
--
I
A
Q
I
K
R
E
-----
I
S
T
M
K
L
I
K
H
P
N
V
I
R
M
F
E
V
M
A
S
K
T
K
I
Y
F
V
L
E
F
V
T
G
G
E
L
F
D
K
I
S
S
N
G
R
-
L
K
E
D
E
A
R
K
Y
F
Q
Q
L
I
N
A
V
D
Y
C
H
S
R
G
V
Y
H
R
D
L
K
P
E
N
L
L
L
D
-
A
N
G
--------
A
L
K
V
S
D
F
G
L
S
ALP
Q
Q
V
R
E
-
D
G
L
L
H
D
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
---
K
G
Y
D
G
A
-
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
E
--------
D
S
-
N
-
L
-----
T
-
S
L
Y
K
K
I
F
K
A
E
F
T
--
C
P
P
W
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
-----
K
K
G
Y
K
A
P
K
F
E
N
A
D
V
D
A
I
F
D
D
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
54.14
33%
-106
- C3 -
2Y0A
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
K
D
T
Q
Q
A
L
S
R
K
A
S
A
V
N
M
E
K
F
K
K
F
A
A
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
54.02
33%
-109
- C3 -
3ZXT
1
DAPK1_HUMAN
C:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
--
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
------------
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
54.00
33%
-104
- C3 -
4FG9
1
KCC1A_HUMAN
B:
[20-276]
--------
Y
D
F
R
D
V
L
G
T
G
A
F
S
E
V
I
L
A
E
D
K
-
R
T
Q
K
L
V
A
I
K
C
I
A
K
--------------------------
E
-----
I
A
V
L
H
K
I
K
H
P
N
I
V
A
L
D
D
I
Y
E
S
G
G
H
L
Y
L
I
M
Q
L
V
S
G
G
E
L
F
D
R
I
V
E
K
G
F
-
Y
T
E
R
D
A
S
R
L
I
F
Q
V
L
D
A
V
K
Y
L
H
D
L
G
I
V
H
R
D
L
K
P
E
N
-
L
L
Y
Y
S
L
D
E
D
S
-----
K
I
M
I
S
D
F
--------------
V
L
S
T
A
C
G
T
P
G
Y
V
A
P
E
V
L
A
Q
---
K
P
Y
S
-
K
-
A
V
D
C
W
S
I
G
V
I
A
Y
I
L
L
C
G
Y
P
P
F
Y
D
E
N
D
A
K
L
F
E
Q
-
I
-
L
-----
K
-
A
E
Y
E
F
D
S
P
Y
W
D
D
--
I
S
D
S
A
K
D
F
I
R
H
----
L
M
E
K
D
P
E
K
R
F
T
C
E
Q
A
L
Q
H
P
W
I
-----
A
G
D
T
A
L
D
K
N
I
H
Q
S
V
S
E
Q
I
K
K
N
F
A
K
S
K
W
K
Q
A
F
N
A
T
A
V
V
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
53.93
32%
-107
- C3 -
3AQV
1
AAPK2_HUMAN
A:
[13-267]
--------
Y
V
L
G
D
T
L
G
V
G
T
F
G
K
V
K
I
G
E
H
-
Q
L
T
G
H
K
V
A
V
K
I
L
N
R
Q
K
-------
I
R
S
L
D
---
V
--
V
G
K
I
K
R
E
-----
I
Q
N
L
K
L
F
R
H
P
H
I
I
K
L
Y
Q
V
I
S
T
P
T
D
F
F
M
V
M
E
Y
V
S
G
G
E
L
F
D
Y
I
C
K
H
G
R
-
V
E
E
M
E
A
R
R
L
F
Q
Q
I
L
S
A
V
D
Y
C
H
R
H
M
V
V
H
R
D
L
K
P
E
N
V
L
L
D
---------
A
H
M
N
A
K
I
A
D
F
G
L
S
---
N
M
M
S
D
-
G
E
F
L
------
P
N
Y
A
A
P
E
V
I
S
G
---
R
L
Y
A
-
G
P
E
V
D
I
W
S
C
G
V
I
L
Y
A
L
L
C
G
T
L
P
F
---
D
-----
D
E
-
H
-
V
-----
P
-
T
L
F
K
K
I
R
G
G
V
F
Y
--
I
P
E
Y
L
N
R
S
V
A
T
L
L
M
H
M
L
Q
V
D
P
L
K
R
A
T
I
K
D
I
R
E
H
E
W
F
-----
K
Q
D
L
P
S
Y
L
F
P
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
53.14
33%
-102
- C3 -
2W4K
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
K
D
T
Q
Q
A
L
S
R
K
A
S
A
V
N
M
E
K
F
K
K
F
A
A
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
52.91
33%
-99
- C3 -
4UV0
1
?
A:
[9-293]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
TKSSRRG
V
S
R
E
D
---
I
------
E
R
E
-----
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
-----
V
P
K
P
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
KPKD
T
Q
Q
A
L
S
R
K
A
C
A
V
N
M
E
K
F
K
K
F
A
A
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
52.89
33%
-101
- C3 -
4FG8
1
KCC1A_HUMAN
A:
[20-276]
--------
Y
D
F
R
D
V
L
G
T
G
A
F
S
E
V
I
L
A
E
D
K
-
R
T
Q
K
L
V
A
I
K
C
I
A
K
E
------------------------
N
E
-----
I
A
V
L
H
K
I
K
H
P
N
I
V
A
L
D
D
I
Y
E
S
G
G
H
L
Y
L
I
M
Q
L
V
S
G
G
E
L
F
D
R
I
V
E
K
G
F
-
Y
T
E
R
D
A
S
R
L
I
F
Q
V
L
D
A
V
K
Y
L
H
D
L
G
I
V
H
R
D
L
K
P
E
N
-
L
L
Y
Y
S
L
D
E
D
S
-----
K
I
M
I
S
D
F
---------------------
T
P
G
Y
V
A
P
E
V
L
A
Q
---
K
P
Y
S
-
K
-
A
V
D
C
W
S
I
G
V
I
A
Y
I
L
L
C
G
Y
P
P
F
Y
D
E
N
D
A
K
L
F
E
Q
-
I
-
L
-----
K
-
A
E
Y
E
F
D
S
P
Y
W
D
D
--
I
S
D
S
A
K
D
F
I
R
H
----
L
M
E
K
D
P
E
K
R
F
T
C
E
Q
A
L
Q
H
P
W
I
-----
A
G
D
T
A
L
D
K
N
I
H
Q
S
V
S
E
Q
I
K
K
N
F
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
52.55
33%
-105
- C3 -
3ZXT
1
DAPK1_HUMAN
A:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
---------------
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
E
S
-
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
-
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
-------------
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
96
PsiBlast_CBE
52.29
33%
-103
- C3 -
1P4F
1
DAPK1_HUMAN
A:
[6-275]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
S
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
--------
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
-------
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
F
-
G
N
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
N
T
S
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
P
Q
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
52.15
33%
-102
- C3 -
4FG8
1
KCC1A_HUMAN
B:
[20-276]
--------
Y
D
F
R
D
V
L
G
T
G
A
F
S
E
V
I
L
A
E
D
K
-
R
T
Q
K
L
V
A
I
K
C
I
A
K
-------------------------
N
E
-----
I
A
V
L
H
K
I
K
H
P
N
I
V
A
L
D
D
I
Y
E
S
G
G
H
L
Y
L
I
M
Q
L
V
S
G
G
E
L
F
D
R
I
V
E
K
G
F
-
Y
T
E
R
D
A
S
R
L
I
F
Q
V
L
D
A
V
K
Y
L
H
D
L
G
I
V
H
R
D
L
K
P
E
N
-
L
L
Y
Y
S
L
D
E
D
S
-----
K
I
M
I
S
D
F
G
-----------
G
S
V
L
S
T
A
C
G
T
P
G
Y
V
A
P
E
V
L
A
Q
---
K
P
Y
S
-
K
-
A
V
D
C
W
S
I
G
V
I
A
Y
I
L
L
C
G
Y
P
P
F
Y
D
E
N
D
A
K
L
F
E
Q
-
I
-
L
-----
K
-
A
E
Y
E
F
D
S
P
Y
W
D
D
--
I
S
D
S
A
K
D
F
I
R
H
----
L
M
E
K
D
P
E
K
R
F
T
C
E
Q
A
L
Q
H
P
W
I
-----
A
G
D
T
A
L
D
K
N
I
H
Q
S
V
S
E
Q
I
K
K
N
F
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
51.07
33%
-104
- C3 -
4FG7
1
KCC1A_HUMAN
A:
[20-276]
--------
Y
D
F
R
D
V
L
G
T
G
A
F
S
E
V
I
L
A
E
D
K
-
R
T
Q
K
L
V
A
I
K
C
I
A
---------------------
S
--
M
E
N
E
-----
I
A
V
L
H
K
I
K
H
P
N
I
V
A
L
D
D
I
Y
E
S
G
G
H
L
Y
L
I
M
Q
L
V
S
G
G
E
L
F
D
R
I
V
E
K
G
F
-
Y
T
E
R
D
A
S
R
L
I
F
Q
V
L
D
A
V
K
Y
L
H
D
L
G
I
V
H
R
D
L
K
P
E
N
-
L
L
Y
Y
S
L
D
E
D
S
-----
K
I
M
I
S
D
F
G
L
S
---
K
M
E
D
P
---------
G
T
P
G
Y
V
A
P
E
V
L
A
Q
---
K
--
S
-
K
-
A
V
D
C
W
S
I
G
V
I
A
Y
I
L
L
C
G
Y
P
P
F
Y
D
E
N
D
A
K
L
F
E
Q
-
I
-
L
-----
K
-
A
E
Y
E
F
D
S
P
Y
W
D
D
--
I
S
D
S
A
K
D
F
I
R
H
----
L
M
E
K
D
P
E
K
R
F
T
C
E
Q
A
L
Q
H
P
W
I
-----
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
48.43
33%
-98
- C3 -
3ZXT
1
DAPK1_HUMAN
B:
[7-276]
-
E
N
V
D
D
Y
-
Y
D
T
G
E
E
L
G
S
G
Q
F
A
V
V
K
K
C
R
E
K
S
-
T
G
L
Q
Y
A
A
K
F
I
K
K
R
R
-------
T
K
S
-
R
---
R
--
G
--
V
S
R
E
D
I
E
R
E
V
S
I
L
K
E
I
Q
H
P
N
V
I
T
L
H
E
V
Y
E
N
K
T
D
V
I
L
I
L
E
L
V
A
G
G
E
L
F
D
F
L
A
E
K
---
L
T
E
E
E
A
T
E
F
L
K
Q
I
L
N
G
V
Y
Y
L
H
S
L
Q
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
R
N
V
P
K
P
-----
R
I
K
I
I
D
F
G
L
A
---
H
K
I
D
-----------
T
P
E
F
V
A
P
E
I
V
N
Y
---
E
P
L
G
-
L
-
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
-
S
G
A
S
P
F
L
G
D
T
-----
K
Q
-
E
T
L
-----
A
-
N
V
S
A
V
N
Y
E
F
E
D
E
--
Y
F
S
---
A
L
A
K
D
F
I
R
R
L
L
V
K
D
P
K
K
R
M
T
I
Q
D
S
L
Q
H
P
W
I
-----
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------