@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 : PLK4_HUMAN: (2013-07-24 )
MATCIGEKIEDFKVGNLLGKGSFAGVYRAESIHTGLEVAIKMIDKKAMYKAGMVQRVQNEVKIHCQLKHPSILELYNYFEDSNYVYLVLEMCHNGEMNRYLKNRVKPFSENEARHFMHQIITGMLYLHSHGILHRDLTLSNLLLTRNMNIKIADFGLATQLKMPHEKHYTLCGTPNYISPEIATRSAHGLESDVWSLGCMFYTLLIGRPPFDTDTVKNTLNKVVLADYEMPSFLSIEAKDLIHQLLRRNPADRLSLSSVLDHPFMSRNSSTKSKDLGTVEDSIDSGHATISTAITASSSTSISGSLFDKRRLLIGQPLPNKMTVFPKNKSSTDFSSSGDGNSFYTQWGNQETSNSGRGRVIQDAEERPHSRYLRRAYSSDRSGTSNSQSQAKTYTMERCHSAEMLSVSKRSGGGENEERYSPTDNNANIFNFFKEKTSSSSGSFERPDNNQALSNHLCPGKTPFPFADPTPQTETVQQWFGNLQINAHLRKTTEYDSISPNRDFQGHPDLQKDTSKNAWTDTKVKKNSDASDNAHSVKQQNTMKYMTALHSKPEIIQQECVFGSDPLSEQSKTRGMEPPWGYQNRTLRSITSPLVAHRLKPIRQKTKKAVVSILDSEEVCVELVKEYASQEYVKEVLQISSDGNTITIYYPNGGRGFPLADRPPSPTDNISRYSFDNLPEKYWRKYQYASRFVQLVRSKSPKITYFTRYAKCILMENSPGADFEVWFYDGVKIHKTEDFIQVIEKTGKSYTLKSESEVNSLKEEIKMYMDHANEGHRICLALESIISEEERKTRSAPFFPIIIGRKPGSTSSPKALSPPPSVDSNYPTRERASFNRMVMHSAASPTQAPILNPSMVTNEGLGLTTTASGTDISSNSLKDCLPKSAQLLKSVFVKNVGWATQLTSGAVWVQFNDGSQLVVQAGVSSISYTSPNGQTTRYGENEKLPDYIKQKLQCLSSILLMFSNPTPNFH
Atome Classification :
(61 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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MATCIGEKIEDFKVGNLLGKGSFAGVYRAESIHTGLEVAIKMIDKKAMYKAGMVQRVQNEVKIHCQLKHPSILELYNYFEDSNYVYLVLEMCHNGEMNRYLKNRVKPFSENEARHFMHQIITGMLYLHS-HGILHRDLTLSNLLLTRNMNIKIADFGLATQLKMPHEKHYTLCGTPNYISPEIATRSAHGLESDVWSLGCMFYTLLIGRPPFDTDTVKNTLNKVVLADYEMPSFLSIEAKDLIHQLLRRNPADRL-----S-----LSSVLDHPFMSRNSSTKSKDLGTVEDSIDSGHATISTAITASSSTSISGSLFDKRRLLIGQPLPNKMTVFPKNKSSTDFSSSGDGNSFYTQWGNQETSNSGRGRVIQDAEERPHSRYLRRAYSSDRSGTSNSQSQAKTYTMERCHSAEMLSVSKRSGGGENEERYSPTDNNANIFNFFKEKTSSSSGSFERPDNNQALSNHLCPGKTPFPFADPTPQTETVQQWFGNLQINAHLRKTTEYDSISPNRDFQGHPDLQKDTSKNAWTDTKVKKNSDASDNAHSVKQQNTMKYMTALHSKPEIIQQECVFGSDPLSEQSKTRGMEPPWGYQNRTLRSITSPLVAHRLKPIRQKTKKAVVSILDSEEVCVELVKEYASQEYVKEVLQISSDGNTITIYYPNGGRGFPLADRPPSPTDNISRYSFDNLPEKYWRKYQYASRFVQLVRSKSPKITYFTRYAKCILMENSPGADFEVWFYDGVKIHKTEDFIQVIEKTGKSYTLKSESEVNSLKEEIKMYMDHANEGHRICLALESIISEEERKTRSAPFFPIIIGRKPGSTSSPKALSPPPSVDSNYPTRERASFNRMVMHSAASPTQAPILNPSMVTNEGLGLTTTASGTDISSNSLKDCLPKSAQLLKSVFVKNVGWATQLTSGAVWVQFNDGSQLVVQAGVSSISYTSPNGQTTRYGENEKLPDYIKQKLQCLSSILLMFSNPTPNFH
1
PsiBlast_PDB
85.94
99%
-136
- C2 -
3COK
1
PLK4_HUMAN
A:
[2-267]
L
A
T
C
I
G
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
87
PsiBlast_CBE
69.10
37%
-116
- C2 -
3K5U
1
AURKA_HUMAN
A:
[8-269]
--------
L
E
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
G
W
S
V
H
-----------
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
P
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
88
PsiBlast_CBE
68.30
37%
-112
- C2 -
3FDN
1
AURKA_HUMAN
A:
[8-269]
--------
L
E
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
G
W
S
V
H
--
A
--------
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
P
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
76
PsiBlast_CBE
67.78
38%
-111
- C2 -
3D14
1
AURKA_MOUSE
A:
[11-269]
--------
L
E
D
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
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
R
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
N
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
M
P
P
F
E
A
H
T
Y
Q
E
T
Y
R
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
A
S
Q
R
L
-----
T
-----
L
A
E
V
L
E
H
P
W
I
K
A
N
S
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
PsiBlast_CBE
67.21
38%
-117
- C2 -
3D2I
1
AURKA_MOUSE
A:
[11-269]
--------
L
E
D
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
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
R
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
N
G
E
L
K
I
A
D
F
G
W
S
V
H
--
A
P
-------
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
M
P
P
F
E
A
H
T
Y
Q
E
T
Y
R
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
A
S
Q
R
L
-----
T
-----
L
A
E
V
L
E
H
P
W
I
K
A
N
S
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
66.81
38%
-113
- C2 -
3DJ7
1
AURKA_MOUSE
A:
[11-269]
--------
L
E
D
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
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
R
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
N
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
M
P
P
F
E
A
H
T
Y
Q
E
T
Y
R
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
A
S
Q
R
L
-----
T
-----
L
A
E
V
L
E
H
P
W
I
K
A
N
S
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
66.76
37%
-118
- C2 -
2X81
1
AURKA_HUMAN
A:
[11-269]
--------
L
E
D
F
E
I
G
R
P
L
G
---
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
-------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
66.42
37%
-111
- C2 -
3UOD
3
AURKA_HUMAN
A:
[8-267]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
98
PsiBlast_CBE
66.26
37%
-117
- C2 -
3H0Y
1
AURKA_HUMAN
A:
[7-265]
--------
L
E
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
G
W
S
---------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
66.17
37%
-111
- C2 -
4JAJ
1
?
A:
[18-277]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
T
T
L
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
85
PsiBlast_CBE
65.97
37%
-113
- C2 -
4JBQ
1
?
A:
[8-269]
--------
L
E
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
G
W
S
V
H
-----------
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
P
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
65.68
37%
-111
- C2 -
3UP2
3
AURKA_HUMAN
A:
[8-267]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
65.67
37%
-108
- C2 -
3UO5
1
AURKA_HUMAN
A:
[8-268]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
65.59
37%
-114
- C2 -
3MYG
2
AURKA_HUMAN
A:
[11-269]
--------
L
E
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
G
W
S
V
H
-------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
91
PsiBlast_CBE
65.54
37%
-117
- C2 -
3P9J
1
AURKA_HUMAN
A:
[7-265]
--------
L
E
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
G
W
S
V
-------------
G
T
L
D
Y
L
P
P
E
M
I
E
G
---
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
82
PsiBlast_CBE
65.41
37%
-109
- C2 -
2W1E
1
AURKA_HUMAN
A:
[10-268]
--------
L
E
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
G
W
S
V
-------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
83
PsiBlast_CBE
65.39
37%
-109
- C2 -
2W1D
1
AURKA_HUMAN
A:
[10-268]
--------
L
E
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
G
W
S
V
-------------
G
T
L
D
Y
L
P
P
E
M
I
E
G
R
M
H
D
-
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
65.26
37%
-114
- C2 -
3UO4
4
AURKA_HUMAN
A:
[8-267]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
65.20
37%
-118
- C2 -
3EFW
1
AURKA_HUMAN
B:
[130-389]
--------
L
E
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
64.89
37%
-107
- C2 -
4DEE
1
AURKA_HUMAN
A:
[8-269]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
P
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
64.76
37%
-107
- C2 -
4DEA
4
AURKA_HUMAN
A:
[8-267]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
64.71
38%
-116
- C2 -
3DJ6
1
AURKA_MOUSE
A:
[11-269]
--------
L
E
D
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
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
R
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
N
G
E
L
K
I
A
D
F
G
W
-----------
T
T
L
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
M
P
P
F
E
A
H
T
Y
Q
E
T
Y
R
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
A
S
Q
R
L
-----
T
-----
L
A
E
V
L
E
H
P
W
I
K
A
N
S
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
73
PsiBlast_CBE
64.68
38%
-118
- C2 -
3DJ5
1
AURKA_MOUSE
A:
[11-269]
--------
L
E
D
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
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
R
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
N
G
E
L
K
I
A
D
F
G
W
-----------
T
T
L
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
M
P
P
F
E
A
H
T
Y
Q
E
T
Y
R
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
A
S
Q
R
L
-----
T
-----
L
A
E
V
L
E
H
P
W
I
K
A
N
S
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
100
PsiBlast_CBE
64.66
37%
-116
- C2 -
3LAU
1
AURKA_HUMAN
A:
[7-268]
--------
L
E
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
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
P
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
101
PsiBlast_CBE
64.50
37%
-110
- C2 -
4DHF
1
AURKA_HUMAN
B:
[10-269]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
64.47
37%
-113
- C2 -
4B0G
1
AURKA_HUMAN
A:
[10-271]
--------
L
E
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
----
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
G
W
S
V
--------------
T
L
D
Y
L
P
P
E
M
I
E
---
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
P
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
64.18
37%
-110
- C2 -
4DEB
3
AURKA_HUMAN
A:
[8-266]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
79
PsiBlast_CBE
64.16
37%
-116
- C2 -
3O50
1
AURKA_HUMAN
A:
[6-264]
--------
L
E
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
G
W
----------------
T
L
D
Y
L
P
P
E
M
I
E
---
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
93
PsiBlast_CBE
64.10
37%
-105
- C2 -
3H10
1
AURKA_HUMAN
B:
[7-268]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
A
A
L
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
P
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
63.88
37%
-117
- C2 -
3EFW
1
AURKA_HUMAN
A:
[130-388]
--------
L
E
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
92
PsiBlast_CBE
63.74
37%
-109
- C2 -
3H10
1
AURKA_HUMAN
D:
[7-265]
--------
L
E
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
G
W
S
V
H
--
A
P
S
--------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
94
PsiBlast_CBE
63.63
37%
-103
- C2 -
3H10
1
AURKA_HUMAN
A:
[7-268]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
A
A
L
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
P
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
63.34
37%
-108
- C2 -
4DED
4
AURKA_HUMAN
A:
[8-266]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
86
PsiBlast_CBE
63.33
37%
-101
- C2 -
4JBO
1
?
A:
[8-269]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
T
D
L
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
P
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
63.30
37%
-112
- C2 -
4JAI
1
?
A:
[18-278]
--------
L
E
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
------------------
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
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
63.27
37%
-102
- C2 -
3UOH
4
AURKA_HUMAN
A:
[8-267]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
80
PsiBlast_CBE
62.95
37%
-106
- C2 -
3NRM
1
AURKA_HUMAN
A:
[10-268]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
A
A
L
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
62.91
37%
-109
- C2 -
3UP7
1
AURKA_HUMAN
A:
[8-265]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
62.87
37%
-109
- C2 -
2WTW
1
AURKA_HUMAN
A:
[12-271]
--------
L
E
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
62.85
37%
-112
- C2 -
3COH
1
AURKA_HUMAN
B:
[7-265]
--------
L
E
D
F
E
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
K
N
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
S
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
K
V
I
H
R
D
I
K
P
E
N
L
L
L
G
S
A
G
E
L
K
I
A
D
----------------
L
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
D
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
89
PsiBlast_CBE
62.69
37%
-113
- C2 -
2C6E
1
AURKA_HUMAN
B:
[12-270]
--------
L
E
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
------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
62.36
37%
-112
- C2 -
3COH
1
AURKA_HUMAN
A:
[7-265]
--------
L
E
D
F
E
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
K
N
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
S
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
K
V
I
H
R
D
I
K
P
E
N
L
L
L
G
S
A
G
E
L
K
I
A
D
----------------
L
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
D
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
78
PsiBlast_CBE
62.35
37%
-115
- C2 -
3O50
1
AURKA_HUMAN
B:
[6-265]
--------
L
E
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
-------------
T
T
L
C
G
T
L
D
Y
L
P
P
E
M
I
E
----
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
62.24
37%
-100
- C2 -
3UOJ
1
AURKA_HUMAN
A:
[8-267]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
62.05
37%
-101
- C2 -
3UNZ
3
AURKA_HUMAN
B:
[8-267]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
62.05
37%
-103
- C2 -
3UOH
3
AURKA_HUMAN
B:
[8-267]
--------
L
E
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
G
W
S
V
H
--
A
P
S
S
R
R
D
T
L
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
61.96
37%
-100
- C2 -
3UNZ
3
AURKA_HUMAN
A:
[8-267]
--------
L
E
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
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K
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--
A
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-----
M
-----
L
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K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------