@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 : SIK2_HUMAN: (2015-10-19 )
MVMADGPRHLQRGPVRVGFYDIEGTLGKGNFAVVKLGRHRITKTEVAIKIIDKSQLDAVNLEKIYREVQIMKMLDHPHIIKLYQVMETKSMLYLVTEYAKNGEIFDYLANHGRLNESEARRKFWQILSAVDYCHGRKIVHRDLKAENLLLDNNMNIKIADFGFGNFFKSGELLATWCGSPPYAAPEVFEGQQYEGPQLDIWSMGVVLYVLVCGALPFDGPTLPILRQRVLEGRFRIPYFMSEDCEHLIRRMLVLDPSKRLTIAQIKEHKWMLIEVPVQRPVLYPQEQENEPSIGEFNEQVLRLMHSLGIDQQKTIESLQNKSYNHFAAIYFLLVERLKSHRSSFPVEQRLDGRQRRPSTIAEQTVAKAQTVGLPVTMHSPNMRLLRSALLPQASNVEAFSFPASGCQAEAAFMEEECVDTPKVNGCLLDPVPPVLVRKGCQSLPSNMMETSIDEGLETEGEAEEDPAHAFEAFQSTRSGQRRHTLSEVTNQLVVMPGAGKIFSMNDSPSLDSVDSEYDMGSVQRDLNFLEDNPSLKDIMLANQPSPRMTSPFISLRPTNPAMQALSSQKREVHNRSPVSFREGRRASDTSLTQGIVAFRQHLQNLARTKGILELNKVQLLYEQIGPEADPNLAPAAPQLQDLASSCPQEEVSQQQESVSTLPASVHPQLSPRQSLETQYLQHRLQKPSLLSKAQNTCQLYCKEPPRSLEQQLQEHRLQQKRLFLQKQSQLQAYFNQMQIAESSYPQPSQQLPLPRQETPPPSQQAPPFSLTQPLSPVLEPSSEQMQYSPFLSQYQEMQLQPLPSTSGPRAAPPLPTQLQQQQPPPPPPPPPPRQPGAAPAPLQFSYQTCELPSAASPAPDYPTPCQYPVDGAQQSDLTGPDCPRSPGLQEAPSSYDPLALSELPGLFDCEMLDAVDPQHNGYVLVN
Atome Classification :
(30 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....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MVMADG
P
R
H
LQRG
P
V
R
V
G
F
Y
D
IEGTLGKG
N
F
A
V
V
KLGRHRITK
T
E
V
A
I
K
I
IDKS-------Q-L-D
A
V
N
L
-
E
-
K
I
Y
R
E
V
Q
I
M
K
M
L-DH
P
H
I
I
K
L
Y
Q
V
M
E
T
K
S
M
L
Y
L
V
T
E
YAKNG
E
I
F
D
Y
L
A
NHGRL
N
E
S
E
A
R
R
K
F
W
Q
I
L
S
A
V
D
Y
CHG
R
K
I
V
H
R
DLKAE
N
L
L
---LDN---NM
N
I
K
I
A
DFGF---GNF---FKSG
E
L
L
A
T
WCGSPPYAAPEVFEGQQYE-----GPQL
D
I
W
S
M
G
V
V
L
Y
V
L
V
CGALPF-DGP
T
L
P
I
L
R
Q
R
V
L--EGR--FRI--P
Y
F
--
M
S
E
D
C
E
H
L
I
R
R
M
L
VLDPSK
R
L
T
I
A
Q
IKEH
K
W
M
L
--
I
E
VPVQRPVLYPQEQENEPSI
G
E
F
N
E
Q
V
L
R
L
M
H
SLGI
D
Q
Q
K
T
I
E
S
L
Q
NKSY
N
H
F
A
A
I
Y
F
L
L
V
E
R
L
K
S
H
R
SSF
P
V
E
Q
RLDGRQRR
P
S
T
I
A
E
Q
T
V
AKAQTVG
L
P
V
T
MHSP
N
M
R
L
L
R
S
A
LLPQASNV
E
A
FSFPASGC
Q
A
E
A
A
F
M
E
E
ECVDTPKVN
G
C
LLDPV
P
P
V
L
V
R
K
G
C
Q
SL
P
S
N
M
M
E
T
S
I
DEGLETEGEAEE
D
P
A
H
A
F
E
A
F
Q
S
TRSGQRRH
T
L
S
E
VTN
Q
L
V
VMPGA
G
K
I
F
SMNDSPSLDSVDSEYD
M
G
S
V
Q
R
D
L
N
FLEDNPSL
K
D
I
M
LANQPSPRMTS
P
F
I
S
LRPT
N
P
A
M
Q
A
L
S
S
Q
K
R
E
VHNRSPV
S
F
REGRRASD
T
S
L
T
Q
G
I
V
A
F
R
Q
H
L
Q
N
L
A
R
TKG
I
L
E
L
N
K
V
Q
L
L
Y
E
Q
IGPEADPNLAPA
A
P
Q
L
Q
D
L
A
S
SC
P
Q
E
E
V
S
Q
Q
Q
E
S
V
S
TLPASVHPQLS
P
R
Q
S
L
E
T
Q
Y
L
Q
H
R
LQK
P
S
L
L
S
K
A
Q
N
T
C
Q
L
Y
CKEP
P
R
S
L
E
Q
Q
L
Q
E
H
R
L
Q
Q
K
R
L
F
L
Q
K
Q
S
Q
L
Q
A
Y
F
N
Q
M
Q
I
AESSYPQ
P
S
QQLPLPRQETPPPSQQAPPFSLTQPL
S
P
VLEPSSEQMQY
S
P
F
L
S
Q
Y
Q
E
M
QLQPLPSTSGPRAAPPLP
T
Q
LQQQQPPPPPPPPPPRQPGAAPA
P
L
Q
F
S
Y
QTCELPSAASPAPDYPTPCQYPVDGAQQSDLTGPDCPRSPGLQEAPSSYDP
L
A
L
S
ELPGLF
D
C
E
M
L
DAVDPQHN
G
Y
V
L
VN
14
PsiBlast_PDB
80.08
49%
-112
- C2 -
3AQV
1
AAPK2_HUMAN
A:
[4-276]
--------
H
--
D
G
R
V
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
74.89
41%
-104
- C2 -
4CZU
3
CIPKN_ARATH
D:
[3-268]
---------
I
H
S
G
R
T
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
PQQ
V
R
E
D
G
L
L
H
D
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
-----
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
--
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
--
K
G
Y
K
A
P
K
F
E
N
A
D
V
S
L
D
D
V
D
A
I
F
D
D
S
N
L
V
V
E
R
R
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
73.31
42%
-104
- C2 -
4CZT
4
CIPKN_ARATH
D:
[3-268]
---------
I
H
S
G
R
T
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
PQQ
V
R
E
D
G
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
71.63
42%
-104
- C2 -
4CZT
3
CIPKN_ARATH
A:
[3-268]
---------
I
H
S
G
R
T
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
PQQ
V
R
E
D
G
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
71.48
42%
-106
- C2 -
4CZT
2
CIPKN_ARATH
B:
[4-268]
----------
H
S
G
R
T
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
PQQ
V
R
E
D
G
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
71.27
41%
-104
- C2 -
4CZU
3
CIPKN_ARATH
B:
[3-268]
---------
I
H
S
G
R
T
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
PQQ
V
R
E
D
G
L
L
H
D
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
-----
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
--
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
--
K
G
Y
K
A
P
K
F
E
D
D
V
D
A
I
F
D
D
S
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
71.02
41%
-106
- C2 -
4CZU
3
CIPKN_ARATH
A:
[3-268]
---------
I
H
S
G
R
T
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
PQQ
V
R
E
D
G
L
L
H
D
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
-----
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
--
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
--
K
G
Y
K
A
P
K
F
E
N
D
D
V
D
A
I
F
D
D
S
G
E
S
K
N
L
V
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
70.80
42%
-111
- C2 -
4CZT
3
CIPKN_ARATH
C:
[10-268]
----------------
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
PQQ
V
R
E
D
G
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
70.46
40%
-106
- C2 -
3MA6
1
?
A:
[34-291]
-------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
69.83
39%
-103
- C2 -
2WEI
1
?
A:
[24-280]
-------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
109
PsiBlast_CBE
69.44
35%
-111
- C2 -
4FG8
1
KCC1A_HUMAN
B:
[14-286]
------------
E
D
I
R
-
D
I
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
D
S
--
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
A
L
D
K
N
I
H
Q
S
V
S
E
Q
I
K
K
N
F
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
69.16
41%
-113
- C2 -
4CZU
3
CIPKN_ARATH
C:
[9-268]
---------------
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
PQQ
V
R
E
D
G
L
L
H
D
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
-----
G
A
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
G
Y
L
P
F
-
E
D
S
N
L
T
S
L
Y
K
K
I
F
--
K
A
E
--
F
T
C
--
P
P
W
--
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
--
K
G
Y
K
A
P
K
F
E
N
A
D
V
D
A
I
F
D
D
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
100
PsiBlast_CBE
69.08
37%
-114
- C2 -
4FG7
1
KCC1A_HUMAN
A:
[9-276]
-------
R
W
K
Q
A
E
D
I
R
-
D
I
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
D
S
--
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
68.78
40%
-109
- C2 -
4CQG
1
MELK_MOUSE
A:
[10-291]
------------------
Y
Y
E
L
Y
E
T
I
G
T
G
G
F
A
K
V
K
L
A
C
H
V
L
T
G
E
M
V
A
I
K
I
M
D
K
N
-------
A
-
L
-
G
S
-
D
L
-
P
-
R
V
K
T
E
I
D
A
L
K
S
L
-
R
H
Q
H
I
C
Q
L
Y
H
V
L
E
T
K
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
L
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
---
N
H
K
L
K
L
I
D
F
G
L
CAK----------------
C
G
S
L
A
Y
A
A
P
E
L
I
Q
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
E
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
R
N
L
L
N
H
P
W
V
M
QD
Y
S
C
P
V
E
W
Q
S
K
T
P
L
T
H
L
D
E
D
C
V
T
E
L
S
V
H
H
R
S
S
R
Q
T
M
E
D
L
I
S
S
W
Q
Y
D
H
L
T
A
T
Y
L
L
L
L
A
K
K
A
R
L
E
H
H
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
98
PsiBlast_CBE
68.61
36%
-107
- C2 -
3D14
1
AURKA_MOUSE
A:
[14-264]
-------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
93
PsiBlast_CBE
68.02
36%
-109
- C2 -
3DJ7
1
AURKA_MOUSE
A:
[14-264]
-------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
104
PsiBlast_CBE
67.99
37%
-109
- C2 -
2Y7J
1
PHKG2_HUMAN
A:
[96-360]
-------------------
Y
D
P
K
D
V
I
G
R
G
V
S
S
V
V
R
R
C
V
H
R
A
T
G
H
E
F
A
V
K
I
M
E
V
T
A
E
R
L
S
P
E
Q
-
L
-
E
E
V
R
--
E
-
A
T
R
R
E
T
H
I
L
R
Q
V
A
G
H
P
H
I
I
T
L
I
D
S
Y
E
S
S
S
F
M
F
L
V
F
D
L
M
R
K
G
E
L
F
D
Y
L
T
E
K
V
A
L
S
E
K
E
T
R
S
I
M
R
S
L
L
E
A
V
S
F
L
H
A
N
N
I
V
H
R
D
L
K
P
E
N
I
L
---
L
D
D
---
N
M
Q
I
R
L
S
D
F
G
F
---
S
C
H
---
L
E
P
G
E
K
L
R
E
L
C
G
T
P
G
Y
L
A
P
E
I
L
K
C
S
M
D
E
THPGY
G
K
E
V
D
L
W
A
C
G
V
I
L
F
T
L
L
A
G
S
P
P
F
-
W
H
R
R
Q
I
L
M
L
R
M
I
M
--
E
G
Q
--
Y
Q
F
SS
P
E
W
DD
R
S
S
T
V
K
D
L
I
S
R
L
L
Q
V
D
P
E
A
R
L
T
A
E
Q
A
L
Q
H
P
F
F
E
--
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
96
PsiBlast_CBE
67.79
36%
-113
- C2 -
3D2I
1
AURKA_MOUSE
A:
[14-264]
-------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
106
PsiBlast_CBE
67.64
34%
-121
- C2 -
3EFW
1
AURKA_HUMAN
A:
[133-383]
-------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
67.56
40%
-106
- C2 -
3MA6
1
?
B:
[34-291]
-------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
110
PsiBlast_CBE
67.09
35%
-116
- C2 -
4FG8
1
KCC1A_HUMAN
A:
[10-286]
--------
W
K
Q
A
E
D
I
R
-
D
I
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
D
S
--
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
A
L
D
K
N
I
H
Q
S
V
S
E
Q
I
K
K
N
F
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
105
PsiBlast_CBE
66.82
34%
-119
* C2 *
3EFW
1
AURKA_HUMAN
B:
[133-383]
-------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
107
PsiBlast_CBE
66.68
35%
-113
- C2 -
4FG9
1
KCC1A_HUMAN
B:
[14-286]
------------
E
D
I
R
-
D
I
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
D
S
--
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
103
PsiBlast_CBE
66.68
37%
-109
- C2 -
2Y7J
1
PHKG2_HUMAN
C:
[96-360]
-------------------
Y
D
P
K
D
V
I
G
R
G
V
S
S
V
V
R
R
C
V
H
R
A
T
G
H
E
F
A
V
K
I
M
E
V
T
AERLSPE
Q
-
L
-
E
E
V
R
--
E
-
A
T
R
R
E
T
H
I
L
R
Q
V
A
G
H
P
H
I
I
T
L
I
D
S
Y
E
S
S
S
F
M
F
L
V
F
D
L
M
R
K
G
E
L
F
D
Y
L
T
E
K
V
A
L
S
E
K
E
T
R
S
I
M
R
S
L
L
E
A
V
S
F
L
H
A
N
N
I
V
H
R
D
L
K
P
E
N
I
L
---
L
D
D
---
N
M
Q
I
R
L
S
D
F
G
F
---
S
C
H
---
L
E
P
G
E
K
L
R
E
L
C
G
T
P
G
Y
L
A
P
E
I
L
K
C
S
M
D
E
THPGY
G
K
E
V
D
L
W
A
C
G
V
I
L
F
T
L
L
A
G
S
P
P
F
-
W
H
R
R
Q
I
L
M
L
R
M
I
M
--
E
G
Q
--
Y
Q
F
SS
P
E
W
DD
R
S
S
T
V
K
D
L
I
S
R
L
L
Q
V
D
P
E
A
R
L
T
A
E
Q
A
L
Q
H
P
F
F
E
--
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
108
PsiBlast_CBE
66.58
35%
-117
- C2 -
4FG9
1
KCC1A_HUMAN
A:
[10-286]
--------
W
K
Q
A
E
D
I
R
-
D
I
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
D
S
--
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
102
PsiBlast_CBE
65.85
37%
-110
- C2 -
2Y7J
1
PHKG2_HUMAN
D:
[96-360]
-------------------
Y
D
P
K
D
V
I
G
R
G
V
S
S
V
V
R
R
C
V
H
R
A
T
G
H
E
F
A
V
K
I
M
E
V
-RLSPE--
Q
-
L
-
E
E
V
R
--
E
-
A
T
R
R
E
T
H
I
L
R
Q
V
A
G
H
P
H
I
I
T
L
I
D
S
Y
E
S
S
S
F
M
F
L
V
F
D
L
M
R
K
G
E
L
F
D
Y
L
T
E
K
V
A
L
S
E
K
E
T
R
S
I
M
R
S
L
L
E
A
V
S
F
L
H
A
N
N
I
V
H
R
D
L
K
P
E
N
I
L
---
L
D
D
---
N
M
Q
I
R
L
S
D
F
G
F
---
S
C
H
---
L
E
P
G
E
K
L
R
E
L
C
G
T
P
G
Y
L
A
P
E
I
L
K
C
S
M
D
E
THPGY
G
K
E
V
D
L
W
A
C
G
V
I
L
F
T
L
L
A
G
S
P
P
F
-
W
H
R
R
Q
I
L
M
L
R
M
I
M
--
E
G
Q
--
Y
Q
F
SS
P
E
W
DD
R
S
S
T
V
K
D
L
I
S
R
L
L
Q
V
D
P
E
A
R
L
T
A
E
Q
A
L
Q
H
P
F
F
E
--
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
97
PsiBlast_CBE
65.52
36%
-108
- C2 -
3D15
1
AURKA_MOUSE
A:
[14-264]
-------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
94
PsiBlast_CBE
64.85
36%
-115
- C2 -
3DJ6
1
AURKA_MOUSE
A:
[14-264]
-------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
95
PsiBlast_CBE
63.38
36%
-115
- C2 -
3DJ5
1
AURKA_MOUSE
A:
[14-264]
-------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
99
PsiBlast_CBE
60.74
37%
-112
- C2 -
2W4O
1
KCC4_HUMAN
A:
[54-309]
------------------
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
A
T
PAP
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
I
S
--
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------