@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 : ULK1_HUMAN: (2015-10-21 )
MEPGRGGTETVGKFEFSRKDLIGHGAFAVVFKGRHREKHDLEVAVKCINKKNLAKSQTLLGKEIKILKELKHENIVALYDFQEMANSVYLVMEYCNGGDLADYLHAMRTLSEDTIRLFLQQIAGAMRLLHSKGIIHRDLKPQNILLSNPAGRRANPNSIRVKIADFGFARYLQSNMMAATLCGSPMYMAPEVIMSQHYDGKADLWSIGTIVYQCLTGKAPFQASSPQDLRLFYEKNKTLVPTIPRETSAPLRQLLLALLQRNHKDRMDFDEFFHHPFLDASPSVRKSPPVPVPSYPSSGSGSSSSSSSTSHLASPPSLGEMQQLQKTLASPADTAGFLHSSRDSGGSKDSSCDTDDFVMVPAQFPGDLVAEAPSAKPPPDSLMCSGSSLVASAGLESHGRTPSPSPPCSSSPSPSGRAGPFSSSRCGASVPIPVPTQVQNYQRIERNLQSPTQFQTPRSSAIRRSGSTSPLGFARASPSPPAHAEHGGVLARKMSLGGGRPYTPSPQVGTIPERPGWSGTPSPQGAEMRGGRSPRPGSSAPEHSPRTSGLGCRLHSAPNLSDLHVVRPKLPKPPTDPLGAVFSPPQASPPQPSHGLQSCRNLRGSPKLPDFLQRNPLPPILGSPTKAVPSFDFPKTPSSQNLLALLARQGVVMTPPRNRTLPDLSEVGPFHGQPLGPGLRPGEDPKGPFGRSFSTSRLTDLLLKAAFGTQAPDPGSTESLQEKPMEIAPSAGFGGSLHPGARAGGTSSPSPVVFTVGSPPSGSTPPQGPRTRMFSAGPTGSASSSARHLVPGPCSEAPAPELPAPGHGCSFADPITANLEGAVTFEAPDLPEETLMEQEHTEILRGLRFTLLFVQHVLEIAALKGSASEAAGGPEYQLQESVVADQISLLSREWGFAEQLVLYLKVAELLSSGLQSAIDQIRAGKLCLSSTVKQVVRRLNELYKASVVSCQGLSLRLQRFFLDKQRLLDRIHSITAERLIFSHAVQMVQSAALDEMFQHREGCVPRYHKALLLLEGLQHMLSDQADIENVTKCKLCIERRLSALLTGICA
Atome Classification :
(70 SA)
.........10...--.....20........30........40........50.....--...--60........70........80........90........100..-.....110.......120.......130.......140.......150.......160.......170.-......180.......190.......200.......210.......220.......230-------.....----..240-........250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580.......590.......600.......610.......620.......630.......640.......650.......660.......670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850.......860.......870.......880.......890.......900.......910.......920.......930.......940.......950.......960.......970.......980.......990.......1000......1010......1020......1030......1040......1050
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MEPGRGGTETVGKF--EFSRKDLIGH
G
A
F
A
V
V
FKGRHRE
K
H
D
L
E
V
A
V
K
C
I
N
K
K
NLA
K
S
--
Q
T
L
--
L
G
K
E
I
K
I
L
K
E
LKHE
N
I
V
A
L
Y
D
F
Q
E
MANS
V
Y
L
V
M
E
YCNG
G
D
L
A
D
Y
L
-
H
A
M
R
TL
S
E
D
T
I
R
L
F
L
Q
Q
I
A
G
A
M
R
L
L
H
SKGIIHRDLKPQ
N
I
L
LSNPAGRRANP
N
S
I
R
V
K
I
A
D
F
G
F
A
R
Y
L
Q
-SNM
M
A
ATLCGSPMYM
A
P
E
V
I
M
SQHYDGKA
D
L
W
S
I
G
T
I
V
Y
Q
C
LTGKAPFQASSP
Q
D
L
R
L
F
-------
Y
EKN
K
----
T
LVP--TIPRETS
A
P
L
R
Q
L
L
L
A
L
L
QRNHKDRM
D
F
D
E
F
FHHPFLDASPSVRKSPPVPVPSYPSSGSGSSSSSSSTSHLASPPS
L
G
E
M
Q
Q
L
Q
K
T
LASPADTAG
F
L
HSSRDSGGSKDSSCDTD
D
F
V
M
V
PAQFP
G
D
L
V
AEAPSAKPPP
D
S
LMCSG
S
S
L
V
A
SAGLESHGRTPSPSPPCSSSPSPSGRAGPFSSSRCGASVPIPV
P
T
Q
V
Q
N
Y
Q
R
I
E
R
NLQSPTQFQT
P
R
S
S
A
I
RRSGSTSPLGFARASPSPPAHAEHGG
V
L
A
R
K
MSLGGGRPYTPSPQVGTIPERPGWSGTPSPQGAEMRGGRSPRPGSSAPEHSPRTSGL
G
C
R
LHSAPNLS
D
L
H
VVRPKLPKPPTDPLGAVFSPPQASPPQP
S
H
G
L
Q
S
C
R
NLRGSPKL
P
D
F
L
QRNPLPPILGSPTKAVPSFDFPKTPSS
Q
N
L
L
A
L
L
A
RQ
G
V
V
MTPPRNRTLP
D
L
S
EVGPFHGQPLGPGLRPGEDPKGPFGRSF
S
T
S
R
L
T
D
L
L
L
K
A
AFGTQAPDPGS
T
E
S
L
Q
EKPMEIAPSAGFGGSLHPGARAGGTSSPS
P
V
V
F
TVGSPPSGSTPPQGPRT
R
M
FSAGPTGSASSSARHLVPGPCSEAPAPELPAPGHGCSFADPITANLE
G
A
V
T
FEAPDL
P
E
E
T
L
M
E
Q
E
H
T
E
I
L
R
G
L
R
F
T
L
L
F
V
Q
H
V
L
E
I
A
A
LKGSASEAAGGP
E
Y
Q
L
Q
E
S
V
V
A
D
Q
I
S
L
L
S
R
EWG
F
A
E
Q
L
V
L
Y
L
K
V
A
E
L
L
S
S
G
L
Q
S
A
I
D
Q
I
R
AG
K
L
C
L
S
S
T
V
K
Q
V
V
R
R
L
N
E
L
Y
K
A
S
VVSCQ
G
L
S
L
R
L
Q
R
F
F
L
D
K
Q
R
L
L
D
R
I
H
S
I
T
A
E
R
L
I
F
S
H
A
V
Q
M
V
Q
S
A
A
L
D
E
M
F
Q
H
REGC
V
P
R
Y
H
K
A
L
L
L
L
E
G
L
Q
H
M
LSDQA
D
I
E
N
V
T
K
C
K
L
C
I
E
R
R
L
S
A
L
L
T
G
ICA
1
PsiBlast_PDB
78.61
98%
-80
- C3 -
4WNO
1
ULK1_HUMAN
A:
[12-284]
-------
T
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
78.16
98%
-81
- C3 -
4WNP
1
ULK1_HUMAN
C:
[12-283]
-------
T
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
77.33
98%
-81
- C3 -
4WNP
3
ULK1_HUMAN
A:
[11-284]
------
G
T
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
77.32
98%
-77
- C3 -
4WNP
1
ULK1_HUMAN
D:
[12-284]
-------
T
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
76.55
98%
-77
- C3 -
4WNP
2
ULK1_HUMAN
B:
[12-284]
-------
T
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
66.40
33%
-112
- C3 -
3EFW
1
AURKA_HUMAN
A:
[133-388]
-------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
65.05
33%
-112
- C3 -
3EFW
1
AURKA_HUMAN
B:
[133-388]
-------------
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
GV
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
101
PsiBlast_CBE
64.94
33%
-106
- C3 -
3UP7
1
AURKA_HUMAN
A:
[17-265]
-----------------------
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
GV
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
64.51
33%
-104
- C3 -
2WTW
1
AURKA_HUMAN
A:
[21-270]
-----------------------
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
GV
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
83
PsiBlast_CBE
64.44
33%
-109
- C3 -
2XNG
1
AURKA_HUMAN
A:
[19-268]
-----------------------
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
GV
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
------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
64.36
33%
-104
- C3 -
3H0Z
1
AURKA_HUMAN
C:
[16-265]
-----------------------
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
GV
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
-------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
81
PsiBlast_CBE
64.34
33%
-110
- C3 -
3W16
1
AURKA_HUMAN
A:
[14-263]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
64.29
32%
-108
- C3 -
3DJ7
1
AURKA_MOUSE
A:
[20-269]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
63.98
33%
-105
- C3 -
3H0Y
1
AURKA_HUMAN
A:
[16-265]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
87
PsiBlast_CBE
63.95
33%
-103
- C3 -
4UZD
1
AURKA_HUMAN
A:
[16-265]
-----------------------
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
GV
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
----------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
63.93
33%
-105
- C3 -
3H0Z
1
AURKA_HUMAN
A:
[16-265]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
63.74
32%
-107
- C3 -
3D14
1
AURKA_MOUSE
A:
[20-269]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
63.70
33%
-102
- C3 -
2J4Z
2
AURKA_HUMAN
B:
[36-291]
-------------
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
GV
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
P
S
N
C
Q
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
77
PsiBlast_CBE
63.62
32%
-105
- C3 -
3MYG
2
AURKA_HUMAN
A:
[20-269]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
63.47
33%
-106
- C3 -
4BYI
1
AURKA_HUMAN
A:
[21-270]
-----------------------
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
GV
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
-----------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
63.37
33%
-107
- C3 -
3P9J
1
AURKA_HUMAN
A:
[16-265]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
63.31
33%
-110
- C3 -
2X6D
1
AURKA_HUMAN
A:
[21-270]
-----------------------
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
----
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
63.14
32%
-107
- C3 -
3D2I
1
AURKA_MOUSE
A:
[20-269]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
82
PsiBlast_CBE
63.09
33%
-108
- C3 -
4B0G
1
AURKA_HUMAN
A:
[19-268]
-----------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
79
PsiBlast_CBE
62.96
32%
-102
- C3 -
1MQ4
1
AURKA_HUMAN
A:
[20-269]
-----------------------
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
GV
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
--
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
99
PsiBlast_CBE
62.84
33%
-105
- C3 -
4DEB
3
AURKA_HUMAN
A:
[17-266]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
62.82
33%
-114
- C3 -
4C3P
1
AURKA_HUMAN
D:
[18-267]
-----------------------
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
GV
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
--------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
62.52
32%
-104
- C3 -
2W1E
1
AURKA_HUMAN
A:
[13-268]
-------------
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
GV
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
K
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
84
PsiBlast_CBE
62.48
32%
-102
- C3 -
4JAJ
1
AURKA_HUMAN
A:
[27-276]
-----------------------
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
GV
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
62.39
33%
-107
- C3 -
2J50
1
AURKA_HUMAN
B:
[16-265]
-----------------------
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
GV
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
85
PsiBlast_CBE
62.38
32%
-107
- C3 -
4JAI
1
AURKA_HUMAN
A:
[27-276]
-----------------------
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
GV
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
96
PsiBlast_CBE
62.34
33%
-105
* C3 *
3O50
1
AURKA_HUMAN
A:
[15-264]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
62.17
33%
-97
- C3 -
2J4Z
4
AURKA_HUMAN
A:
[36-291]
-------------
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
GV
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
62.01
32%
-102
- C3 -
2W1D
1
AURKA_HUMAN
A:
[13-268]
-------------
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
GV
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
K
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
61.94
33%
-107
- C3 -
2J50
1
AURKA_HUMAN
A:
[16-265]
-----------------------
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
GV
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
61.88
32%
-105
- C3 -
3D15
1
AURKA_MOUSE
A:
[20-269]
-----------------------
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
GV
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
--------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
61.68
34%
-124
- C3 -
3COK
1
PLK4_HUMAN
A:
[12-267]
----------------
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
DY
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
61.64
32%
-111
- C3 -
3DJ6
1
AURKA_MOUSE
A:
[20-269]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
86
PsiBlast_CBE
61.63
33%
-102
- C3 -
4UZD
1
AURKA_HUMAN
B:
[16-265]
-----------------------
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
GV
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
---------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
61.56
33%
-100
- C3 -
3COH
1
AURKA_HUMAN
B:
[16-265]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
61.45
32%
-113
- C3 -
3DJ5
1
AURKA_MOUSE
A:
[20-269]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
61.33
33%
-100
- C3 -
3COH
1
AURKA_HUMAN
A:
[16-265]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
61.16
33%
-104
- C3 -
4O0S
1
AURKA_HUMAN
A:
[18-267]
-----------------------
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
GV
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
60.99
33%
-107
- C3 -
2X6E
1
AURKA_HUMAN
A:
[21-270]
-----------------------
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
GV
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
---
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
60.88
33%
-107
- C3 -
3O51
1
AURKA_HUMAN
A:
[15-264]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
PsiBlast_CBE
60.87
31%
-109
- C3 -
4FG8
1
KCC1A_HUMAN
B:
[23-285]
--------------------
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
AE
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
100
PsiBlast_CBE
60.77
33%
-101
- C3 -
4DEA
4
AURKA_HUMAN
A:
[17-266]
-----------------------
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
GV
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
60.51
33%
-105
- C3 -
4BYJ
1
AURKA_HUMAN
A:
[21-270]
-----------------------
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
GV
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
-------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
60.49
35%
-105
- C3 -
2JAM
3
KCC1G_HUMAN
B:
[15-273]
---------------------
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
GYY
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
60.47
35%
-108
- C3 -
2JAM
3
KCC1G_HUMAN
A:
[15-273]
---------------------
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
GYY
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
60.18
33%
-100
- C3 -
3H10
1
AURKA_HUMAN
A:
[16-265]
-----------------------
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
GV
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
97
PsiBlast_CBE
59.91
33%
-100
- C3 -
4DEE
1
AURKA_HUMAN
A:
[17-266]
-----------------------
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
GV
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
N
C
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
59.84
33%
-100
- C3 -
4UTD
1
?
A:
[18-267]
-----------------------
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
GV
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
P
S
N
C
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
59.82
33%
-116
- C3 -
4YUR
1
PLK4_HUMAN
A:
[8-269]
----------
I
G
E
K
IE
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
59.69
33%
-100
- C3 -
3H10
1
AURKA_HUMAN
D:
[16-265]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
59.34
32%
-100
- C3 -
3NRM
1
AURKA_HUMAN
A:
[19-268]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
98
PsiBlast_CBE
59.32
33%
-103
- C3 -
4DED
4
AURKA_HUMAN
A:
[17-266]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
59.17
33%
-102
- C3 -
3W10
1
AURKA_HUMAN
A:
[14-263]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
59.10
34%
-122
- C3 -
4JXF
2
PLK4_HUMAN
A:
[8-262]
----------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
58.55
31%
-114
- C3 -
4FG9
1
KCC1A_HUMAN
B:
[23-285]
--------------------
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
AE
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
80
PsiBlast_CBE
58.36
33%
-101
- C3 -
3W18
1
AURKA_HUMAN
B:
[14-263]
-----------------------
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
-------------
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
---------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
58.32
33%
-98
- C3 -
3H10
1
AURKA_HUMAN
B:
[16-265]
-----------------------
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
GV
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
58.06
33%
-106
- C3 -
1MUO
1
AURKA_HUMAN
A:
[33-282]
-----------------------
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
GV
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
------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
76
PsiBlast_CBE
57.87
31%
-113
- C3 -
4FG7
1
KCC1A_HUMAN
A:
[23-277]
--------------------
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
AE
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
57.55
33%
-109
- C3 -
4C3P
1
AURKA_HUMAN
A:
[18-267]
-----------------------
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
GV
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
95
PsiBlast_CBE
57.43
33%
-102
- C3 -
3O50
1
AURKA_HUMAN
B:
[15-264]
-----------------------
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
GV
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
56.87
32%
-104
- C3 -
3W2C
1
AURKA_HUMAN
A:
[6-261]
-------------
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
--------------
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
---------
I
K
P
E
N
L
L
L
G
S
A
G
---------
E
L
K
I
A
D
-------------------
T
L
D
Y
L
P
P
E
M
I
E
-------
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
------------
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
-----------
H
P
W
I
T
A
N
S
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
75
PsiBlast_CBE
56.61
31%
-108
- C3 -
4FG8
1
KCC1A_HUMAN
A:
[23-285]
--------------------
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
AE
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
73
PsiBlast_CBE
56.30
31%
-113
- C3 -
4FG9
1
KCC1A_HUMAN
A:
[23-285]
--------------------
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
AE
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
78
PsiBlast_CBE
37.93
32%
-91
- C3 -
2NP8
1
AURKA_HUMAN
A:
[20-166]
-----------------------
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
GV
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------