@TOME V2.3
(Nov 2016)
Ref.
-
-
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 : SIK3_HUMAN: (2015-10-19 )
MPARIGYYEIDRTIGKGNFAVVKRATHLVTKAKVAIKIIDKTQLDEENLKKIFREVQIMKMLCHPHIIRLYQVMETERMIYLVTEYASGGEIFDHLVAHGRMAEKEARRKFKQIVTAVYFCHCRNIVHRDLKAENLLLDANLNIKIADFGFSNLFTPGQLLKTWCGSPPYAAPELFEGKEYDGPKVDIWSLGVVLYVLVCGALPFDGSTLQNLRARVLSGKFRIPFFMSTECEHLIRHMLVLDPNKRLSMEQICKHKWMKLGDADPNFDRLIAECQQLKEERQVDPLNEDVLLAMEDMGLDKEQTLQSLRSDAYDHYSAIYSLLCDRHKRHKTLRLGALPSMPRALAFQAPVNIQAEQAGTAMNISVPQVQLINPENQIVEPDGTLNLDSDEGEEPSPEALVRYLSMRRHTVGVADPRTEVMEDLQKLLPGFPGVNPQAPFLQVAPNVNFMHNLLPMQNLQPTGQLEYKEQSLLQPPTLQLLNGMGPLGRRASDGGANIQLHAQQLLKRPRGPSPLVTMTPAVPAVTPVDEESSDGEPDQEAVQSSTYKDSNTLHLPTERFSPVRRFSDGAASIQAFKAHLEKMGNNSSIKQLQQECEQLQKMYGGQIDERTLEKTQQQHMLYQQEQHHQILQQQIQDSICPPQPSPPLQAACENQPALLTHQLQRLRIQPSSPPPNHPNNHLFRQPSNSPPPMSSAMIQPHGAASSSQFQGLPSRSAIFQQQPENCSSPPNVALTCLGMQQPAQSQQVTIQVQEPVDMLSNMPGTAAGSSGRGISISPSAGQMQMQHRTNLMATLSYGHRPLSKQLSADSAEAHSLNVNRFSPANYDQAHLHPHLFSDQSRGSPSSYSPSTGVGFSPTQALKVPPLDQFPTFPPSAHQQPPHYTTSALQQALLSPTPPDYTRHQQVPHILQGLLSPRHSLTGHSDIRLPPTEFAQLIKRQQQQRQQQQQQQQQQEYQELFRHMNQGDAGSLAPSLGGQSMTERQALSYQNADSYHHHTSPQHLLQIRAQECVSQASSPTPPHGYAHQPALMHSESMEEDCSCEGAKDGFQDSKSSSTLTKGCHDSPLLLSTGGPGDPESLLGTVSHAQELGIHPYGHQPTAAFSKNKVPSREPVIGNCMDRSSPGQAVELPDHNGLGYPARPSVHEHHRPRALQRHHTIQNSDDAYVQLDNLPGMSLVAGKALSSARMSDAVLSQSSLMGSQQFQDGENEECGASLGGHEHPDLSDGSQHLNSSCYPSTCITDILLSYKHPEVSFSMEQAGV
Atome Classification :
(31 SA)
....---.....10........20........30........40..-...-...50.-........60........70........80........90........100.......110.......120.......130.....---.-----.140-.........150.......-----160.......170.......180.......190.......200...-....210.......220-...--...--..230.......240.......250.......260..--.....270.......280.......290.......300.......310-.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580.......590.......600.......610.......620.......630.......640.......650.......660.......670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850.......860.......870.......880.......890.......900.......910.......920.......930.......940.......950.......960.......970.......980.......990.......1000......1010......1020......1030......1040......1050......1060......1070......1080......1090......1100......1110......1120......1130......1140......1150......1160......1170......1180......1190......1200......1210......1220......1230......1240......1250......1260
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MPAR---
I
G
Y
Y
E
I
D
R
T
IGKG
N
F
A
V
V
K
R
A
T
H
L
V
T
K
A
K
V
A
I
K
I
I
DKTQ-L
D
E
-
E
N
L
K
-
K
-
I
F
R
E
V
Q
I
M
K
M
LC
H
P
H
I
I
R
L
Y
Q
V
M
ETE
R
M
I
Y
L
V
T
EYAS
G
G
E
I
F
D
H
L
V
AHGR
M
A
E
K
E
A
R
R
K
F
K
Q
I
V
T
A
V
Y
F
C
H
C
R
N
I
V
H
R
D
LKAE
N
L
L
---
L
-----DA---NL
N
I
K
I
ADFGFSNLFT
P
G
Q
-----
L
L
K
T
W
CGSPPYAAPELFEGKEYDGPKV
D
I
W
S
L
G
V
V
L
Y
V
L
V
CGALPF-DG
S
T
L
Q
N
L
R
A
R
V
LSGK--
F
R
I
--
P
F
F
--MST
E
C
E
H
L
I
R
H
M
L
V
LDPNKRL
S
M
E
Q
I
C
K
H
K
W
M
KLGDA--DP
N
F
D
R
L
I
A
E
C
Q
Q
L
K
E
ERQVDPLN
E
D
V
L
L
A
M
E
D
MGL
D
K
E
Q
T
L
Q
S
L
R
S
D
-
A
Y
D
H
Y
S
A
I
Y
S
L
L
C
D
R
H
KRH
K
T
L
RLGALPSMP
R
A
L
A
FQAPV
N
I
Q
AEQAG
T
A
M
N
I
SV
P
Q
V
Q
L
INPEN
Q
I
VEPDG
T
L
NLDSDEGEEP
S
P
E
A
L
V
R
Y
L
S
M
R
RHTVGVAD
P
R
T
E
V
M
E
D
L
Q
K
LLPGFPGVNPQA
P
F
L
Q
VAPN
V
N
F
M
H
N
LLPMQNLQPTGQ
L
E
Y
K
E
Q
SLLQP
P
T
L
Q
L
L
NGMGPLGRRASDGGA
N
I
Q
L
H
A
Q
Q
L
L
KRPRGPS
P
L
V
T
MTPAVPAVTPVDEESSDGEP
D
Q
E
A
V
Q
SSTYKDSN
T
L
HLP
T
E
R
F
S
P
V
R
RFSDG
A
A
S
I
Q
A
F
K
A
H
L
E
KMGN
N
S
S
I
K
Q
L
Q
Q
E
C
E
Q
L
Q
K
M
YGGQI
D
E
R
T
L
E
K
T
Q
Q
Q
H
M
L
Y
Q
Q
E
Q
H
H
Q
I
L
Q
Q
Q
I
Q
D
SICPPQPSPP
L
Q
A
ACENQ
P
A
L
L
T
H
Q
L
Q
R
LRIQPSSPPPNHPNNHLFRQPSNSPPPMSS
A
M
IQPHGAASS
S
Q
FQGLP
S
R
S
A
I
F
QQQPENCSSPP
N
V
A
L
T
C
LGMQQPAQS
Q
Q
V
T
I
Q
VQE
P
V
D
M
L
SNMPGTAAGSSGR
G
I
S
ISPSAG
Q
M
Q
M
Q
H
R
T
N
L
M
A
T
LSYGHR
P
L
S
K
QLSADSAEA
H
S
L
NVNRFSPANY
D
Q
A
HLHPHLFSDQSRGSPSSYSPSTGVGFSPTQALKVPPLDQFPTFPPSAHQQPPHY
T
T
S
A
L
Q
Q
A
LLSPTPPD
Y
T
R
HQ
Q
V
P
H
I
L
Q
G
L
LSPRHSLTGHSDIRL
P
P
T
E
F
A
Q
L
I
K
R
Q
Q
Q
Q
R
Q
Q
Q
Q
Q
Q
Q
Q
Q
Q
E
Y
Q
E
L
F
R
HMNQGDAGSLAPSLGGQ
S
M
T
E
R
Q
A
LSYQNADSYHHHT
S
P
Q
H
L
L
Q
I
R
A
Q
E
C
V
S
QASSPTPPHGYAHQ
P
A
L
M
H
S
E
SMEEDCSCEGAKDGFQDSKSSSTLTKGCHDS
P
L
L
L
STGGPG
D
P
E
S
L
L
G
T
V
S
H
A
Q
E
LGIHPYGHQPTAAFSKNKVPSREPVIGNCMDRSSPG
Q
A
V
ELPDHNGLGYPARPS
V
H
E
HHR
P
R
A
L
Q
R
HHTIQNSDD
A
Y
V
Q
LDNLPG
M
S
L
V
A
G
K
A
L
S
S
A
R
M
S
D
A
V
L
S
Q
S
SLMG
S
Q
QFQDGENEECGASLGGHEHPDLSD
G
S
Q
HLNSSCY
P
S
T
C
I
T
D
I
L
L
SYKHPE
V
S
F
S
M
E
QAGV
32
PsiBlast_CBE
77.82
39%
-101
- C2 -
4BKY
1
MELK_HUMAN
A:
[11-333]
---------
Y
Y
E
L
H
E
T
I
G
T
G
G
F
A
K
V
K
L
A
C
H
I
L
T
G
E
M
V
A
I
K
I
M
D
K
N
T
-
L
---
D
-
L
P
-
R
-
I
K
T
E
I
E
A
L
K
N
L
R
H
Q
H
I
C
Q
L
Y
H
V
L
E
T
A
N
K
I
F
M
V
L
E
Y
C
P
G
G
E
L
F
D
Y
I
I
S
Q
D
R
L
S
E
E
E
T
R
V
V
F
R
Q
I
V
S
A
V
A
Y
V
H
S
Q
G
Y
A
H
R
D
L
K
P
E
N
L
L
---
F
-----
D
E
---
Y
H
K
L
K
L
I
D
F
G
L
C
A
------------------
S
L
A
Y
A
A
P
E
L
I
Q
G
K
---
G
S
E
A
D
V
W
S
M
G
I
L
L
Y
V
L
M
C
G
F
L
P
F
-
D
D
D
N
V
M
A
L
Y
K
K
I
M
R
G
K
--
Y
D
V
--
P
K
W
--
L
S
P
S
S
I
L
L
L
Q
Q
M
L
Q
V
D
P
K
K
R
I
S
M
K
N
L
L
N
H
P
W
I
M
---
Q
--
D
Y
N
Y
P
------
V
E
W
Q
S
K
N
P
F
I
H
L
D
D
D
C
V
T
E
L
S
V
H
H
R
N
N
R
Q
T
M
E
D
L
I
S
L
W
Q
Y
D
H
L
T
A
T
Y
L
L
L
L
A
K
K
A
R
G
K
P
V
R
L
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
75.42
39%
-102
- C2 -
4BKZ
1
MELK_HUMAN
A:
[11-333]
---------
Y
Y
E
L
H
E
T
I
G
T
G
--
A
K
V
K
L
A
C
H
I
L
T
G
E
M
V
A
I
K
I
M
D
K
N
T
-
L
-----
L
P
-
R
-
I
K
T
E
I
E
A
L
K
N
L
R
H
Q
H
I
C
Q
L
Y
H
V
L
E
T
A
N
K
I
F
M
V
L
E
Y
C
P
G
G
E
L
F
D
Y
I
I
S
Q
D
R
L
S
E
E
E
T
R
V
V
F
R
Q
I
V
S
A
V
A
Y
V
H
S
Q
G
Y
A
H
R
D
L
K
P
E
N
L
L
---
F
-----
D
E
---
Y
H
K
L
K
L
I
D
F
G
L
C
A
------------------
S
L
A
Y
A
A
P
E
L
I
Q
G
----
G
S
E
A
D
V
W
S
M
G
I
L
L
Y
V
L
M
C
G
F
L
P
F
-
D
D
D
N
V
M
A
L
Y
K
K
I
M
R
G
K
--
Y
D
V
--
P
K
W
--
L
S
P
S
S
I
L
L
L
Q
Q
M
L
Q
V
D
P
K
K
R
I
S
M
K
N
L
L
N
H
P
W
I
M
---
Q
--
D
Y
N
Y
P
------
V
E
W
Q
S
K
N
P
F
I
H
L
D
D
D
C
V
T
E
L
S
V
H
H
R
N
N
R
Q
T
M
E
D
L
I
S
L
W
Q
Y
D
H
L
T
A
T
Y
L
L
L
L
A
K
K
A
R
G
K
P
V
R
L
R
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
72.88
39%
-98
- C2 -
4BL1
1
MELK_HUMAN
A:
[11-333]
---------
Y
Y
E
L
H
E
T
I
G
T
G
G
F
A
K
V
K
L
A
C
H
I
L
T
G
E
M
V
A
I
K
I
M
D
K
N
T
-
L
-----
L
P
-
R
-
I
K
T
E
I
E
A
L
K
N
L
R
H
Q
H
I
C
Q
L
Y
H
V
L
E
T
A
N
K
I
F
M
V
L
E
Y
C
P
G
G
E
L
F
D
Y
I
I
S
Q
D
R
L
S
E
E
E
T
R
V
V
F
R
Q
I
V
S
A
V
A
Y
V
H
S
Q
G
Y
A
H
R
D
L
K
P
E
N
L
L
---
F
-----
D
E
---
Y
H
K
L
K
L
I
D
F
G
L
C
A
K
-----------------
S
L
A
Y
A
A
P
E
L
I
Q
G
K
---
G
S
E
A
D
V
W
S
M
G
I
L
L
Y
V
L
M
C
G
F
L
P
F
-
D
D
D
N
V
M
A
L
Y
K
K
I
M
R
G
K
--
Y
D
V
--
P
K
W
--
L
S
P
S
S
I
L
L
L
Q
Q
M
L
Q
V
D
P
K
K
R
I
S
M
K
N
L
L
N
H
P
W
I
M
---
Q
--
D
Y
N
Y
P
------
V
E
W
Q
S
K
N
P
F
I
H
L
D
D
D
C
V
T
E
L
S
V
H
H
R
N
N
R
Q
T
M
E
D
L
I
S
L
W
Q
Y
D
H
L
T
A
T
Y
L
L
L
L
A
K
K
A
R
G
K
P
V
R
L
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
69.82
43%
-102
- C2 -
4CZU
3
CIPKN_ARATH
B:
[9-278]
---
R
---
V
G
K
Y
E
L
G
R
T
L
G
E
G
T
F
A
K
V
K
F
A
R
N
V
E
N
G
D
N
V
A
I
K
V
I
D
K
E
K
V
L
K
N
-
K
M
I
A
-
Q
-
I
K
R
E
I
S
T
M
K
L
I
K
H
P
N
V
I
R
M
F
E
V
M
A
S
K
T
K
I
Y
F
V
L
E
F
V
T
G
G
E
L
F
D
K
I
S
S
N
G
R
L
K
E
D
E
A
R
K
Y
F
Q
Q
L
I
N
A
V
D
Y
C
H
S
R
G
V
Y
H
R
D
L
K
P
E
N
L
L
---
L
-----
D
A
---
N
G
A
L
K
V
S
D
F
G
L
S
A
L
--
P
Q
Q
VREDG
L
L
H
D
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
K
G
Y
K
--
A
P
K
F
E
D
D
V
D
A
I
F
D
D
S
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
69.82
43%
-107
- C2 -
4CZU
3
CIPKN_ARATH
C:
[9-278]
---
R
---
V
G
K
Y
E
L
G
R
T
L
G
E
G
T
F
A
K
V
K
F
A
R
N
V
E
N
G
D
N
V
A
I
K
V
I
D
K
E
K
V
L
K
N
-
K
M
I
A
-
Q
-
I
K
R
E
I
S
T
M
K
L
I
K
H
P
N
V
I
R
M
F
E
V
M
A
S
K
T
K
I
Y
F
V
L
E
F
V
T
G
G
E
L
F
D
K
I
S
S
N
G
R
L
K
E
D
E
A
R
K
Y
F
Q
Q
L
I
N
A
V
D
Y
C
H
S
R
G
V
Y
H
R
D
L
K
P
E
N
L
L
---
L
-----
D
A
---
N
G
A
L
K
V
S
D
F
G
L
S
A
L
--
P
Q
Q
VREDG
L
L
H
D
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
K
G
Y
K
--
A
P
K
F
E
N
A
D
V
D
A
I
F
D
D
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
69.29
43%
-102
- C2 -
4CZU
3
CIPKN_ARATH
A:
[9-278]
---
R
---
V
G
K
Y
E
L
G
R
T
L
G
E
G
T
F
A
K
V
K
F
A
R
N
V
E
N
G
D
N
V
A
I
K
V
I
D
K
E
K
V
L
K
N
-
K
M
I
A
-
Q
-
I
K
R
E
I
S
T
M
K
L
I
K
H
P
N
V
I
R
M
F
E
V
M
A
S
K
T
K
I
Y
F
V
L
E
F
V
T
G
G
E
L
F
D
K
I
S
S
N
G
R
L
K
E
D
E
A
R
K
Y
F
Q
Q
L
I
N
A
V
D
Y
C
H
S
R
G
V
Y
H
R
D
L
K
P
E
N
L
L
---
L
-----
D
A
---
N
G
A
L
K
V
S
D
F
G
L
S
A
L
--
P
Q
Q
VREDG
L
L
H
D
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
K
G
Y
K
--
A
P
K
F
E
N
D
D
V
D
A
I
F
D
D
S
G
E
S
K
N
L
V
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
69.16
43%
-105
- C2 -
4CZT
3
CIPKN_ARATH
C:
[10-278]
-------
V
G
K
Y
E
L
G
R
T
L
G
E
G
T
F
A
K
V
K
F
A
R
N
V
E
N
G
D
N
V
A
I
K
V
I
D
K
E
K
V
L
K
N
-
K
M
I
A
-
Q
-
I
K
R
E
I
S
T
M
K
L
I
K
H
P
N
V
I
R
M
F
E
V
M
A
S
K
T
K
I
Y
F
V
L
E
F
V
T
G
G
E
L
F
D
K
I
S
S
N
G
R
L
K
E
D
E
A
R
K
Y
F
Q
Q
L
I
N
A
V
D
Y
C
H
S
R
G
V
Y
H
R
D
L
K
P
E
N
L
L
---
L
-----
D
A
---
N
G
A
L
K
V
S
D
F
G
L
S
A
L
--
P
Q
Q
VREDG
L
L
H
T
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
K
G
Y
K
--
A
P
K
F
E
N
A
D
V
S
L
D
D
V
D
A
I
F
D
D
S
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
68.86
43%
-101
- C2 -
4CZU
3
CIPKN_ARATH
D:
[9-278]
---
R
---
V
G
K
Y
E
L
G
R
T
L
G
E
G
T
F
A
K
V
K
F
A
R
N
V
E
N
G
D
N
V
A
I
K
V
I
D
K
E
K
V
L
K
N
-
K
M
I
A
-
Q
-
I
K
R
E
I
S
T
M
K
L
I
K
H
P
N
V
I
R
M
F
E
V
M
A
S
K
T
K
I
Y
F
V
L
E
F
V
T
G
G
E
L
F
D
K
I
S
S
N
G
R
L
K
E
D
E
A
R
K
Y
F
Q
Q
L
I
N
A
V
D
Y
C
H
S
R
G
V
Y
H
R
D
L
K
P
E
N
L
L
---
L
-----
D
A
---
N
G
A
L
K
V
S
D
F
G
L
S
A
L
--
P
Q
Q
VREDG
L
L
H
D
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
K
G
Y
K
--
A
P
K
F
E
N
A
D
V
S
L
D
D
V
D
A
I
F
D
D
S
N
L
V
V
E
R
R
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
68.67
43%
-102
- C2 -
4CZT
2
CIPKN_ARATH
B:
[9-278]
---
R
---
V
G
K
Y
E
L
G
R
T
L
G
E
G
T
F
A
K
V
K
F
A
R
N
V
E
N
G
D
N
V
A
I
K
V
I
D
K
E
K
V
L
K
N
-
K
M
I
A
-
Q
-
I
K
R
E
I
S
T
M
K
L
I
K
H
P
N
V
I
R
M
F
E
V
M
A
S
K
T
K
I
Y
F
V
L
E
F
V
T
G
G
E
L
F
D
K
I
S
S
N
G
R
L
K
E
D
E
A
R
K
Y
F
Q
Q
L
I
N
A
V
D
Y
C
H
S
R
G
V
Y
H
R
D
L
K
P
E
N
L
L
---
L
-----
D
A
---
N
G
A
L
K
V
S
D
F
G
L
S
A
L
--
P
Q
Q
VREDG
L
L
H
T
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
K
G
Y
K
--
A
P
K
F
E
D
D
V
D
A
I
F
D
D
S
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
68.64
43%
-100
- C2 -
4CZT
3
CIPKN_ARATH
A:
[9-278]
---
R
---
V
G
K
Y
E
L
G
R
T
L
G
E
G
T
F
A
K
V
K
F
A
R
N
V
E
N
G
D
N
V
A
I
K
V
I
D
K
E
K
V
L
K
N
-
K
M
I
A
-
Q
-
I
K
R
E
I
S
T
M
K
L
I
K
H
P
N
V
I
R
M
F
E
V
M
A
S
K
T
K
I
Y
F
V
L
E
F
V
T
G
G
E
L
F
D
K
I
S
S
N
G
R
L
K
E
D
E
A
R
K
Y
F
Q
Q
L
I
N
A
V
D
Y
C
H
S
R
G
V
Y
H
R
D
L
K
P
E
N
L
L
---
L
-----
D
A
---
N
G
A
L
K
V
S
D
F
G
L
S
A
L
--
P
Q
Q
VREDG
L
L
H
T
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
K
G
Y
K
--
A
P
K
F
E
N
V
S
L
D
D
V
D
A
I
F
D
D
S
G
E
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
68.61
48%
-108
- C2 -
3AQV
1
AAPK2_HUMAN
A:
[9-266]
---
K
---
I
G
H
Y
V
L
G
D
T
L
G
V
G
T
F
G
K
V
K
I
G
E
H
Q
L
T
G
H
K
V
A
V
K
I
L
N
R
Q
K
-
I
R
S
L
D
V
V
G
-
K
-
I
K
R
E
I
Q
N
L
K
L
F
R
H
P
H
I
I
K
L
Y
Q
V
I
S
T
P
T
D
F
F
M
V
M
E
Y
V
S
G
G
E
L
F
D
Y
I
C
K
H
G
R
V
E
E
M
E
A
R
R
L
F
Q
Q
I
L
S
A
V
D
Y
C
H
R
H
M
V
V
H
R
D
L
K
P
E
N
V
L
---
L
-----
D
A
---
H
M
N
A
K
I
A
D
F
G
L
S
N
M
M
S
D
G
E
-----
F
L
------
P
N
Y
A
A
P
E
V
I
S
G
R
L
Y
A
G
P
E
V
D
I
W
S
C
G
V
I
L
Y
A
L
L
C
G
T
L
P
F
-
D
D
E
H
V
P
T
L
F
K
K
I
R
G
G
V
--
F
Y
I
--
P
E
Y
--
L
N
R
S
V
A
T
L
L
M
H
M
L
Q
V
D
P
L
K
R
A
T
I
K
D
I
R
E
H
E
W
F
K
Q
D
L
P
--
S
Y
L
F
P
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
68.60
43%
-100
- C2 -
4CZT
4
CIPKN_ARATH
D:
[9-278]
---
R
---
V
G
K
Y
E
L
G
R
T
L
G
E
G
T
F
A
K
V
K
F
A
R
N
V
E
N
G
D
N
V
A
I
K
V
I
D
K
E
K
V
L
K
N
-
K
M
I
A
-
Q
-
I
K
R
E
I
S
T
M
K
L
I
K
H
P
N
V
I
R
M
F
E
V
M
A
S
K
T
K
I
Y
F
V
L
E
F
V
T
G
G
E
L
F
D
K
I
S
S
N
G
R
L
K
E
D
E
A
R
K
Y
F
Q
Q
L
I
N
A
V
D
Y
C
H
S
R
G
V
Y
H
R
D
L
K
P
E
N
L
L
---
L
-----
D
A
---
N
G
A
L
K
V
S
D
F
G
L
S
A
L
--
P
Q
Q
VREDG
L
L
H
T
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
K
G
Y
K
--
A
P
K
F
E
N
A
D
V
S
L
D
D
V
D
A
I
F
D
D
S
N
L
V
V
E
R
R
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
99
PsiBlast_CBE
64.92
36%
-114
- C2 -
4FG8
1
KCC1A_HUMAN
B:
[20-296]
----------
Y
D
F
R
D
V
L
G
T
G
A
F
S
E
V
I
L
A
E
D
K
R
T
Q
K
L
V
A
I
K
C
I
A
K
----------------
N
E
I
A
V
L
H
K
I
K
H
P
N
I
V
A
L
D
D
I
Y
E
S
G
G
H
L
Y
L
I
M
Q
L
V
S
G
G
E
L
F
D
R
I
V
E
K
G
F
Y
T
E
R
D
A
S
R
L
I
F
Q
V
L
D
A
V
K
Y
L
H
D
L
G
I
V
H
R
D
L
K
P
E
N
L
L
YYS
L
-----
D
E
---
D
S
K
I
M
I
S
D
F
G
-------
G
S
-----
V
L
S
T
A
C
G
T
P
G
Y
V
A
P
E
V
L
A
Q
K
P
Y
S
-
K
A
V
D
C
W
S
I
G
V
I
A
Y
I
L
L
C
G
Y
P
P
F
-
Y
D
E
N
D
A
K
L
F
E
Q
I
L
K
A
E
--
Y
E
F
DS
P
Y
W
DD
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
AL
D
K
N
I
H
Q
S
V
S
E
--
Q
I
K
K
N
F
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
100
PsiBlast_CBE
64.07
36%
-118
- C2 -
4FG8
1
KCC1A_HUMAN
A:
[20-296]
----------
Y
D
F
R
D
V
L
G
T
G
A
F
S
E
V
I
L
A
E
D
K
R
T
Q
K
L
V
A
I
K
C
I
A
K
E
---------------
N
E
I
A
V
L
H
K
I
K
H
P
N
I
V
A
L
D
D
I
Y
E
S
G
G
H
L
Y
L
I
M
Q
L
V
S
G
G
E
L
F
D
R
I
V
E
K
G
F
Y
T
E
R
D
A
S
R
L
I
F
Q
V
L
D
A
V
K
Y
L
H
D
L
G
I
V
H
R
D
L
K
P
E
N
L
L
YYS
L
-----
D
E
---
D
S
K
I
M
I
S
D
F
----------------------
T
P
G
Y
V
A
P
E
V
L
A
Q
K
P
Y
S
-
K
A
V
D
C
W
S
I
G
V
I
A
Y
I
L
L
C
G
Y
P
P
F
-
Y
D
E
N
D
A
K
L
F
E
Q
I
L
K
A
E
--
Y
E
F
DS
P
Y
W
DD
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
AL
D
K
N
I
H
Q
S
V
S
E
--
Q
I
K
K
N
F
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
91
PsiBlast_CBE
63.22
37%
-110
- C2 -
3MA6
1
?
A:
[34-292]
----------
Y
K
G
Q
R
V
L
G
K
G
S
F
G
E
V
I
L
C
K
D
K
I
T
G
Q
E
C
A
V
K
V
I
S
K
R
Q
-
V
K
Q
-
K
T
D
K
-
E
S
L
L
R
E
V
Q
L
L
K
Q
L
D
H
P
N
I
M
K
L
Y
E
F
F
E
D
K
G
Y
F
Y
L
V
G
E
V
Y
T
G
G
E
L
F
D
E
I
I
S
R
K
R
F
S
E
V
D
A
A
R
I
I
R
Q
V
L
S
G
I
T
Y
M
H
K
N
K
I
V
H
R
D
L
K
P
E
N
L
L
---
L
-----
E
S
KSK
D
A
N
I
R
I
I
D
F
G
L
S
T
H
F
E
-
S
K
-----
K
M
K
D
K
I
G
T
A
Y
Y
I
A
P
E
V
L
H
G
T
-
Y
D
-
E
K
C
D
V
W
S
T
G
V
I
L
Y
I
L
L
S
G
C
P
P
F
-
N
G
A
N
E
Y
D
I
L
K
K
V
E
K
G
K
YT
F
E
L
--
P
Q
W
K
K
V
S
E
S
A
K
D
L
I
R
K
M
L
T
Y
V
P
S
M
R
I
S
A
R
D
A
L
D
H
E
W
I
Q
T
Y
T
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
113
PsiBlast_CBE
62.89
34%
-98
- C2 -
2J4Z
2
AURKA_HUMAN
B:
[36-294]
----------
F
E
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
K
Q
S
K
F
I
L
A
L
K
V
L
F
K
A
Q
-
L
E
K
-
A
G
V
E
H
Q
-
L
R
R
E
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
K
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
---
L
-----
G
S
---
A
G
E
L
K
I
A
D
F
G
W
S
-
V
H
A
P
S
S
-----
R
R
T
T
L
C
G
T
L
D
Y
L
P
P
E
M
I
E
G
R
M
H
D
-
E
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
K
P
P
F
-
E
A
N
T
Y
Q
E
T
Y
K
R
I
S
R
V
E
--
F
T
F
--
P
D
F
--
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
P
S
Q
R
P
M
L
R
E
V
L
E
H
P
W
I
T
A
N
S
S
--
K
P
S
N
C
Q
N
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
112
PsiBlast_CBE
61.49
35%
-112
- C2 -
4B8L
1
AUKBA_XENLA
A:
[11-268]
----KFT
I
D
D
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
K
Q
N
K
F
I
M
A
L
K
V
L
F
K
S
Q
-
L
E
K
-
E
G
V
E
H
Q
-
L
R
R
E
I
E
I
Q
S
H
L
R
H
P
N
I
L
R
M
Y
N
Y
F
H
D
R
K
R
I
Y
L
M
L
E
F
A
P
R
G
E
L
Y
K
E
L
Q
K
H
G
R
F
D
E
Q
R
S
A
T
F
M
E
E
L
A
D
A
L
H
Y
C
H
E
R
K
V
I
H
R
D
I
K
P
E
N
L
L
---
M
-----
G
Y
---
K
G
E
L
K
I
A
D
F
----------------------
T
L
D
Y
L
P
P
E
M
I
E
G
K
T
H
D
-
E
K
V
D
L
W
C
A
G
V
L
C
Y
E
F
L
V
G
M
P
P
F
-
D
S
P
S
H
T
E
T
H
R
R
I
V
N
V
D
--
L
K
F
--
P
P
F
--
L
S
D
G
S
K
D
L
I
S
K
L
L
R
Y
H
P
P
Q
R
L
P
L
K
G
V
M
E
H
P
W
V
K
A
N
S
R
--
R
V
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
61.39
37%
-105
- C2 -
2WEI
1
?
A:
[24-281]
----------
Y
N
I
V
C
M
L
G
K
G
S
F
G
E
V
L
K
C
K
D
R
I
T
Q
Q
E
Y
A
V
K
V
I
N
K
A
S
-
A
K
N
-
K
D
T
S
-
T
-
I
L
R
E
V
E
L
L
K
K
L
D
H
P
N
I
M
K
L
F
E
I
L
E
D
S
S
S
F
Y
I
V
G
E
L
Y
T
G
G
E
L
F
D
E
I
I
K
R
K
R
F
S
E
H
D
A
A
R
I
I
K
Q
V
F
S
G
I
T
Y
M
H
K
H
N
I
V
H
R
D
L
K
P
E
N
I
L
---
L
-----
E
S
KEK
D
C
D
I
K
I
I
D
F
G
L
S
T
C
F
Q
Q
N
T
-----
K
M
K
D
R
I
G
T
A
Y
Y
I
A
P
E
V
L
R
G
T
-
Y
D
-
E
K
C
D
V
W
S
A
G
V
I
L
Y
I
L
L
S
G
T
P
P
F
-
Y
G
K
N
E
Y
D
I
L
K
R
V
E
T
G
K
YA
F
D
L
--
P
Q
W
RT
I
S
D
D
A
K
D
L
I
R
K
M
L
T
F
H
P
S
L
R
I
T
A
T
Q
C
L
E
H
P
W
I
Q
K
Y
S
S
--
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
108
PsiBlast_CBE
60.60
35%
-100
- C2 -
3D14
1
AURKA_MOUSE
A:
[14-269]
----------
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
Q
-
L
E
K
-
A
G
V
E
H
Q
-
L
R
R
E
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
R
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
---
L
-----
G
S
---
N
G
E
L
K
I
A
D
F
G
W
S
-
V
H
A
P
S
-----------
C
G
T
L
D
Y
L
P
P
E
M
I
E
G
R
M
H
D
-
E
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
M
P
P
F
-
E
A
H
T
Y
Q
E
T
Y
R
R
I
S
R
V
E
--
F
T
F
--
P
D
F
--
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
A
S
Q
R
L
T
L
A
E
V
L
E
H
P
W
I
K
A
N
S
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
110
PsiBlast_CBE
60.24
36%
-117
- C2 -
4FG9
1
KCC1A_HUMAN
A:
[20-292]
----------
Y
D
F
R
D
V
L
G
T
G
A
F
S
E
V
I
L
A
E
D
K
R
T
Q
K
L
V
A
I
K
C
I
A
K
E
--------------
E
N
E
I
A
V
L
H
K
I
K
H
P
N
I
V
A
L
D
D
I
Y
E
S
G
G
H
L
Y
L
I
M
Q
L
V
S
G
G
E
L
F
D
R
I
V
E
K
G
F
Y
T
E
R
D
A
S
R
L
I
F
Q
V
L
D
A
V
K
Y
L
H
D
L
G
I
V
H
R
D
L
K
P
E
N
L
L
YYS
L
-----
D
E
---
D
S
K
I
M
I
S
D
F
-----------------------
P
G
Y
V
A
P
E
V
L
A
Q
K
P
Y
S
-
K
A
V
D
C
W
S
I
G
V
I
A
Y
I
L
L
C
G
Y
P
P
F
-
Y
D
E
N
D
A
K
L
F
E
Q
I
L
K
A
E
--
Y
E
F
DS
P
Y
W
DD
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
AL
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
106
PsiBlast_CBE
60.14
35%
-107
- C2 -
3D2I
1
AURKA_MOUSE
A:
[14-269]
----------
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
Q
-
L
E
K
-
A
G
V
E
H
Q
-
L
R
R
E
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
R
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
---
L
-----
G
S
---
N
G
E
L
K
I
A
D
F
G
W
S
-
V
H
A
P
------------
C
G
T
L
D
Y
L
P
P
E
M
I
E
G
R
M
H
D
-
E
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
M
P
P
F
-
E
A
H
T
Y
Q
E
T
Y
R
R
I
S
R
V
E
--
F
T
F
--
P
D
F
--
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
A
S
Q
R
L
T
L
A
E
V
L
E
H
P
W
I
K
A
N
S
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
105
PsiBlast_CBE
60.07
35%
-102
- C2 -
3DJ5
1
AURKA_MOUSE
A:
[14-269]
----------
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
Q
-
L
E
K
-
A
G
V
E
H
Q
-
L
R
R
E
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
R
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
---
L
-----
G
S
---
N
G
E
L
K
I
A
D
F
G
W
---------------
T
T
L
C
G
T
L
D
Y
L
P
P
E
M
I
E
G
R
M
H
D
-
E
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
M
P
P
F
-
E
A
H
T
Y
Q
E
T
Y
R
R
I
S
R
V
E
--
F
T
F
--
P
D
F
--
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
A
S
Q
R
L
T
L
A
E
V
L
E
H
P
W
I
K
A
N
S
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
97
PsiBlast_CBE
59.99
34%
-108
- C2 -
3EFW
1
AURKA_HUMAN
B:
[133-389]
----------
F
E
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
K
Q
S
K
F
I
L
A
L
K
V
L
F
K
A
Q
-
L
E
K
-
A
G
V
E
H
Q
-
L
R
R
E
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
K
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
---
L
-----
G
S
---
A
G
E
L
K
I
A
D
F
-----------------------
L
D
Y
L
P
P
E
M
I
E
------
E
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
K
P
P
F
-
E
A
N
T
Y
Q
E
T
Y
K
R
I
S
R
V
E
--
F
T
F
--
P
D
F
--
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
P
S
Q
R
P
M
L
R
E
V
L
E
H
P
W
I
T
A
N
S
S
--
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
103
PsiBlast_CBE
59.64
35%
-101
- C2 -
3DJ7
1
AURKA_MOUSE
A:
[14-269]
----------
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
Q
-
L
E
K
-
A
G
V
E
H
Q
-
L
R
R
E
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
R
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
---
L
-----
G
S
---
N
G
E
L
K
I
A
D
F
G
W
S
-
V
H
A
P
S
-----------
C
G
T
L
D
Y
L
P
P
E
M
I
E
G
R
M
H
D
-
E
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
M
P
P
F
-
E
A
H
T
Y
Q
E
T
Y
R
R
I
S
R
V
E
--
F
T
F
--
P
D
F
--
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
A
S
Q
R
L
T
L
A
E
V
L
E
H
P
W
I
K
A
N
S
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
111
PsiBlast_CBE
59.48
36%
-117
* C2 *
4FG7
1
KCC1A_HUMAN
A:
[20-277]
----------
Y
D
F
R
D
V
L
G
T
G
A
F
S
E
V
I
L
A
E
D
K
R
T
Q
K
L
V
A
I
K
C
I
A
-------------
S
-
M
E
N
E
I
A
V
L
H
K
I
K
H
P
N
I
V
A
L
D
D
I
Y
E
S
G
G
H
L
Y
L
I
M
Q
L
V
S
G
G
E
L
F
D
R
I
V
E
K
G
F
Y
T
E
R
D
A
S
R
L
I
F
Q
V
L
D
A
V
K
Y
L
H
D
L
G
I
V
H
R
D
L
K
P
E
N
L
L
YYS
L
-----
D
E
---
D
S
K
I
M
I
S
D
F
G
L
S
K
M
E
D
P
G
-------------
T
P
G
Y
V
A
P
E
V
L
A
Q
K
--
S
-
K
A
V
D
C
W
S
I
G
V
I
A
Y
I
L
L
C
G
Y
P
P
F
-
Y
D
E
N
D
A
K
L
F
E
Q
I
L
K
A
E
--
Y
E
F
DS
P
Y
W
DD
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
109
PsiBlast_CBE
59.43
36%
-111
- C2 -
4FG9
1
KCC1A_HUMAN
B:
[20-292]
----------
Y
D
F
R
D
V
L
G
T
G
A
F
S
E
V
I
L
A
E
D
K
R
T
Q
K
L
V
A
I
K
C
I
A
K
-----------------
E
I
A
V
L
H
K
I
K
H
P
N
I
V
A
L
D
D
I
Y
E
S
G
G
H
L
Y
L
I
M
Q
L
V
S
G
G
E
L
F
D
R
I
V
E
K
G
F
Y
T
E
R
D
A
S
R
L
I
F
Q
V
L
D
A
V
K
Y
L
H
D
L
G
I
V
H
R
D
L
K
P
E
N
L
L
YYS
L
-----
D
E
---
D
S
K
I
M
I
S
D
F
---------------
V
L
S
T
A
C
G
T
P
G
Y
V
A
P
E
V
L
A
Q
K
P
Y
S
-
K
A
V
D
C
W
S
I
G
V
I
A
Y
I
L
L
C
G
Y
P
P
F
-
Y
D
E
N
D
A
K
L
F
E
Q
I
L
K
A
E
--
Y
E
F
DS
P
Y
W
DD
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
AL
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
59.26
39%
-105
- C2 -
2W4O
1
KCC4_HUMAN
A:
[54-328]
---------
F
F
E
V
E
S
E
L
G
R
G
A
T
S
I
V
Y
R
C
K
Q
K
G
T
Q
K
P
Y
A
L
K
V
L
K
K
------------------
I
G
V
L
L
R
L
S
H
P
N
I
I
K
L
K
E
I
F
E
T
P
T
E
I
S
L
V
L
E
L
V
T
G
G
E
L
F
D
R
I
V
E
K
G
Y
Y
S
E
R
D
A
A
D
A
V
K
Q
I
L
E
A
V
A
Y
L
H
E
N
G
I
V
H
R
D
L
K
P
E
N
L
L
---
Y
ATPAP
D
A
---
P
L
--
K
I
A
D
F
---------------------
G
T
P
G
Y
C
A
P
E
I
L
R
G
C
A
Y
-
G
P
E
V
D
M
W
S
V
G
I
I
T
Y
I
L
L
C
G
F
E
P
F
Y
D
E
R
G
D
Q
F
M
F
R
R
I
L
N
C
E
--
Y
Y
F
IS
P
W
W
DE
V
S
L
N
A
K
D
L
V
R
K
L
I
V
L
D
P
K
K
R
L
T
T
F
Q
A
L
Q
H
P
W
V
T
-
G
K
A
---
A
N
F
V
H
M
D
T
A
Q
K
K
L
Q
E
F
N
A
R
R
K
L
K
A
A
V
K
A
V
V
A
S
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
90
PsiBlast_CBE
59.09
37%
-104
- C2 -
3MA6
1
?
B:
[34-292]
----------
Y
K
G
Q
R
V
L
G
K
G
S
F
G
E
V
I
L
C
K
D
K
I
T
G
Q
E
C
A
V
K
V
I
S
K
R
Q
-
V
K
Q
--
T
D
K
-
E
S
L
L
R
E
V
Q
L
L
K
Q
L
D
H
P
N
I
M
K
L
Y
E
F
F
E
D
K
G
Y
F
Y
L
V
G
E
V
Y
T
G
G
E
L
F
D
E
I
I
S
R
K
R
F
S
E
V
D
A
A
R
I
I
R
Q
V
L
S
G
I
T
Y
M
H
K
N
K
I
V
H
R
D
L
K
P
E
N
L
L
---
L
-----
E
S
KSK
D
A
N
I
R
I
I
D
F
G
L
S
T
H
F
E
A
S
K
-----
K
M
K
D
K
I
G
T
A
Y
Y
I
A
P
E
V
L
H
G
T
-
Y
D
-
E
K
C
D
V
W
S
T
G
V
I
L
Y
I
L
L
S
G
C
P
P
F
-
N
G
A
N
E
Y
D
I
L
K
K
V
E
K
G
K
YT
F
E
L
--
P
Q
W
KK
V
S
E
S
A
K
D
L
I
R
K
M
L
T
Y
V
P
S
M
R
I
S
A
R
D
A
L
D
H
E
W
I
Q
T
Y
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
107
PsiBlast_CBE
58.68
35%
-100
- C2 -
3D15
1
AURKA_MOUSE
A:
[14-269]
----------
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
Q
-
L
E
K
-
A
G
V
E
H
Q
-
L
R
R
E
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
R
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
---
L
-----
G
S
---
N
G
E
L
K
I
A
D
F
G
W
S
-
V
H
A
P
S
------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
104
PsiBlast_CBE
58.60
35%
-101
- C2 -
3DJ6
1
AURKA_MOUSE
A:
[14-269]
----------
F
D
I
G
R
P
L
G
K
G
K
F
G
N
V
Y
L
A
R
E
R
Q
S
K
F
I
L
A
L
K
V
L
F
K
T
Q
-
L
E
K
-
A
G
V
E
H
Q
-
L
R
R
E
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
R
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
---
L
-----
G
S
---
N
G
E
L
K
I
A
D
F
G
W
---------------
T
T
L
C
G
T
L
D
Y
L
P
P
E
M
I
E
G
R
M
H
D
-
E
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
M
P
P
F
-
E
A
H
T
Y
Q
E
T
Y
R
R
I
S
R
V
E
--
F
T
F
--
P
D
F
--
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
A
S
Q
R
L
T
L
A
E
V
L
E
H
P
W
I
K
A
N
S
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
98
PsiBlast_CBE
58.25
34%
-112
- C2 -
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
G
V
E
H
Q
-
L
R
R
E
V
E
I
Q
S
H
L
R
H
P
N
I
L
R
L
Y
G
Y
F
H
D
A
T
R
V
Y
L
I
L
E
Y
A
P
L
G
T
V
Y
R
E
L
Q
K
L
S
K
F
D
E
Q
R
T
A
T
Y
I
T
E
L
A
N
A
L
S
Y
C
H
S
K
R
V
I
H
R
D
I
K
P
E
N
L
L
---
L
-----
G
S
---
A
G
E
L
K
I
A
D
F
-----------------------
L
D
Y
L
P
P
E
M
I
E
-------
K
V
D
L
W
S
L
G
V
L
C
Y
E
F
L
V
G
K
P
P
F
-
E
A
N
T
Y
Q
E
T
Y
K
R
I
S
R
V
E
--
F
T
F
--
P
D
F
--
V
T
E
G
A
R
D
L
I
S
R
L
L
K
H
N
P
S
Q
R
P
M
L
R
E
V
L
E
H
P
W
I
T
A
N
S
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------