@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 : PF00069_CDK1_Y: (2014-08-15 )
MSGELANYKRLEKVGEGTYGVVYKALDLRPGQGQRVVALKKIRLESEDEGVPSTAIREISLLKELKDDNIVRLYDIVHSDAHKLYLVFEFLDLDLKRYMEGIPKDQPLGADIVKKFMMQLCKGIAYCHSHRILHRDLKPQNLLINKDGNLKLGDFGLARAFGVPLRAYTHEIVTLWYRAPEVLLGGKQYSTGVDTWSIGCIFAEMCNRKPIFSGDSEIDQIFKIFRVLGTPNEAIWPDIVYLPDFKPSFPQWRRKDLSQVVPSLDPRGIDLLDKLLAYDPINRISARRAAIHPYFQES
Atome Classification :
(25 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......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSGE
L
A
N
Y
K
R
L
E
K
VGEGT
Y
G
V
V
Y
K
A
L
DLRPGQG
Q
R
V
V
A
L
K
K
I
RLESEDEGV
P
S
T
A
I
R
E
I
S
L
L
K
E
LKDD
N
I
V
R
L
Y
D
I
V
H-----S-----D----A-----
H
K
L
Y
L
V
F
E
F
L
D
L
D
L
K
R
Y
M
E
-----GI----P-KDQPL
G
A
D
I
V
K
K
F
M
M
Q
L
C
K
G
I
A
Y
C
H
S
H
R
I
L
H
RDLKPQ
N
L
L
I----NKDG-
N
L
K
LG
D
F
G
L
A
R
AFG--V
P
L
----
R
A
Y
T
H
E
I
V
T
L
W
YRA
P
E
V
L
LGGKQYSTGVDT
W
S
I
G
C
I
F
A
E
M
CN-----------RKPIFSGD
S
-------
E
----
I
D
Q
I
F
K
I
F
R
V
LGTPNEAIWP
D
---
I
V
--Y--LPDFKP-S
F
P
Q
W
R
-
R
-
K
-----
D
L
----
S
Q
V
V-PSLDPR
G
I
D
L
L
D
K
L
LAYDP
I
N
R
I
S
A
R
R
A
AIHPYFQES
7
PsiBlast_PDB
93.86
61%
-120
- C1 -
4EOJ
1
CDK2_HUMAN
A:
[3-292]
--
G
S
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
----
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
S
M
D
L
K
D
F
M
D
A
S
A
LT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
11
PsiBlast_PDB
93.67
61%
-122
- C1 -
1H1P
1
CDK2_HUMAN
A:
[5-293]
---
S
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
D
T
E
T
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
H
Q
D
L
K
K
F
M
D
A
S
ALT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
9
PsiBlast_PDB
93.18
61%
-120
- C1 -
3QHW
3
CDK2_HUMAN
A:
[1-290]
--
G
H
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
D
T
E
T
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
H
Q
D
L
K
K
F
M
D
A
S
A
LT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
6
PsiBlast_PDB
93.09
61%
-124
- C1 -
4EOM
1
CDK2_HUMAN
A:
[3-292]
--
G
S
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
--
E
T
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
S
M
D
L
K
K
F
M
D
A
S
ALT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
E
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
4
PsiBlast_PDB
93.02
61%
-121
- C1 -
4EOK
1
CDK2_HUMAN
A:
[3-291]
---
S
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
----
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
S
M
D
L
K
D
F
M
D
A
S
A
LT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
5
PsiBlast_PDB
92.99
61%
-119
- C1 -
4EOL
1
CDK2_HUMAN
A:
[3-291]
---
S
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
--
E
T
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
S
M
D
L
K
D
F
M
D
A
SLT-
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
8
PsiBlast_PDB
92.94
61%
-119
- C1 -
3QHR
7
CDK2_HUMAN
A:
[1-290]
--
G
H
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
D
T
E
T
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
H
Q
D
L
K
K
F
M
D
A
S
ALT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
3
PsiBlast_PDB
92.87
61%
-120
- C1 -
4EON
1
CDK2_HUMAN
A:
[1-290]
--
G
S
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
D
T
E
T
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
S
M
D
L
K
K
F
M
D
A
S
ALT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
E
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
10
PsiBlast_PDB
92.80
61%
-121
- C1 -
4EOS
1
CDK2_HUMAN
A:
[2-291]
--
G
S
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
D
---
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
H
Q
D
L
K
K
F
M
D
A
SALT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
13
PsiBlast_PDB
92.40
61%
-120
- C1 -
1H1R
1
CDK2_HUMAN
A:
[5-293]
---
S
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
D
T
E
T
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
H
Q
D
L
K
K
F
M
D
A
S
A
LT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
14
PsiBlast_PDB
91.61
61%
-119
- C1 -
1H1S
1
CDK2_HUMAN
A:
[5-293]
---
S
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
D
T
E
T
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
H
Q
D
L
K
K
F
M
D
A
S
A
LT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
47
HHSearch
90.68
60%
-116
- C1 -
3NIZ
1
?
A:
[18-306]
--
G
L
M
E
K
Y
Q
K
L
E
K
V
G
E
G
T
Y
G
V
V
Y
K
A
K
D
S
----
Q
G
R
I
V
A
L
K
R
I
R
------
G
I
P
S
T
A
I
R
E
I
S
L
L
K
E
L
H
H
P
N
I
V
S
L
I
D
V
I
H
-----
S
-----
E
----------
R
C
L
T
L
V
F
E
F
M
E
K
D
L
K
K
V
L
D
-----
E
N
-------
K
T
G
L
Q
D
S
Q
I
K
I
Y
L
Y
Q
L
L
R
G
V
A
H
C
H
Q
H
R
I
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
S
D
G
-
A
L
K
L
A
D
F
G
L
A
R
A
F
G
--
I
P
V
----
R
---
H
E
V
V
T
L
W
Y
R
A
P
D
V
L
M
G
S
K
K
Y
S
T
S
V
D
I
W
S
I
G
C
I
F
A
E
M
I
T
-----------
G
K
P
L
F
P
G
V
T
-------
D
----
D
D
Q
L
P
K
I
F
S
I
L
G
T
P
N
P
R
E
W
P
Q
---
V
Q
--
E
--
L
P
L
W
K
Q
R
T
F
Q
V
F
E
-
K
-
K
-----
P
W
----
S
S
I
I
-
P
G
F
C
Q
E
G
I
D
L
L
S
N
M
L
C
F
D
P
N
K
R
I
S
A
R
D
A
M
N
H
P
Y
F
K
D
-
12
PsiBlast_PDB
90.35
61%
-121
- C1 -
1H1Q
1
CDK2_HUMAN
A:
[5-293]
---
S
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
L
D
T
E
T
E
G
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
H
Q
D
L
K
K
F
M
D
A
S
ALT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
1
PsiBlast_PDB
89.65
62%
-124
- C1 -
3EZR
2
CDK2_HUMAN
A:
[3-290]
----
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
-------
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
H
Q
D
L
K
K
F
M
D
A
S
ALT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
------------------------
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
2
PsiBlast_PDB
88.02
62%
-123
- C1 -
3EZV
1
CDK2_HUMAN
A:
[3-290]
----
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
E
---
V
V
A
L
K
K
I
R
-------
V
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
H
Q
D
L
K
K
F
M
D
A
S
ALT
G
I
----
P
-------
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
--------------------
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-
40
HHSearch
86.15
57%
-114
- C1 -
4AU8
2
CDK5_HUMAN
A:
[5-292]
----
S
Q
K
Y
E
K
L
E
K
I
G
E
G
T
Y
G
T
V
F
K
A
K
N
R
E
T
H
---
E
I
V
A
L
K
R
V
---------
P
S
S
A
L
R
E
I
C
L
L
K
E
L
K
H
K
N
I
V
R
L
H
D
V
L
H
-----------------------
K
L
T
L
V
F
E
F
C
D
Q
D
L
K
K
Y
F
D
-----
S
C
-------
N
G
D
L
D
P
E
I
V
K
S
F
L
F
Q
L
L
K
G
L
G
F
C
H
S
R
N
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
R
N
G
-
E
L
K
L
A
D
F
G
L
A
R
A
F
G
--
I
P
V
----
R
--
S
A
E
V
V
T
L
W
Y
R
P
P
D
V
L
F
G
A
K
L
Y
S
T
S
I
D
M
W
S
A
G
C
I
F
A
E
L
A
N
A
----------
G
R
P
L
F
P
G
N
D
-------
V
----
D
D
Q
L
K
R
I
F
R
L
L
G
T
P
T
E
E
Q
W
P
S
---
M
T
--
K
--
L
P
D
Y
K
P
--
Y
P
M
Y
P
A
T
-
T
-----
S
L
----
V
N
V
V
-
P
K
L
N
A
T
G
R
D
L
L
Q
N
L
L
K
C
N
P
V
Q
R
I
S
A
E
E
A
L
Q
H
P
Y
F
S
D
-
41
HHSearch
75.49
36%
-111
- C1 -
4IC7
1
MK07_HUMAN
A:
[55-351]
-----
D
E
Y
E
I
I
E
T
I
G
N
G
A
Y
G
V
V
S
S
A
R
R
R
L
T
G
---
Q
Q
V
A
I
K
K
I
P
N
A
F
D
V
V
T
N
A
K
R
T
L
R
E
L
K
I
L
K
H
F
K
H
D
N
I
I
A
I
K
D
I
L
R
PTVPY
G
-----
E
----
F
-----
K
S
V
Y
V
V
L
D
L
M
E
S
D
L
H
Q
I
I
H
-----
S
--------
S
Q
P
L
T
L
E
H
V
R
Y
F
L
Y
Q
L
L
R
G
L
K
Y
M
H
S
A
Q
V
I
H
R
D
L
K
P
S
N
L
L
V
----
N
E
N
C
-
E
L
K
I
G
D
F
G
M
A
R
G
L
C
--
T
S
P
AEHQ
Y
F
M
T
E
Y
V
A
T
R
W
Y
R
A
P
E
L
M
L
S
L
H
E
Y
T
Q
A
I
D
L
W
S
V
G
C
I
F
G
E
M
L
A
-----------
R
R
Q
L
F
P
G
K
N
-------
Y
----
V
H
Q
L
Q
L
I
M
M
V
L
G
T
P
S
P
A
V
I
Q
A
---
V
G
AE
R
--
V
R
A
Y
I
Q
-
S
L
P
P
R
Q
-
P
-
V
-----
P
W
----
E
T
V
Y
-
P
G
A
D
R
Q
A
L
S
L
L
G
R
M
L
R
F
E
P
S
A
R
I
S
A
A
A
A
L
R
H
P
F
L
A
K
-
54
HHSearch
74.78
38%
-119
- C1 -
1J1B
1
GSK3B_HUMAN
A:
[55-342]
------
S
Y
T
D
T
K
V
I
G
N
G
S
F
G
V
V
Y
Q
A
K
L
C
D
S
G
---
E
L
V
A
I
K
K
V
L
Q
D
K
R
------
F
K
N
R
E
L
Q
I
M
R
K
L
D
H
C
N
I
V
R
L
R
Y
F
F
Y
-----
S
S
GEKK
D
----
E
-----
V
Y
L
N
L
V
L
D
Y
V
P
E
T
V
Y
R
V
A
R
-----
H
Y
----
S
R
A
K
Q
T
L
P
V
I
Y
V
K
L
Y
M
Y
Q
L
F
R
S
L
A
Y
I
H
S
F
G
I
C
H
R
D
I
K
P
Q
N
L
L
L
----
D
P
D
T
A
V
L
K
L
C
D
F
G
S
A
K
Q
L
V
RG
E
P
N
----
V
---
S
Y
I
C
S
R
Y
Y
R
A
P
E
L
I
F
G
A
T
D
Y
T
S
S
I
D
V
W
S
A
G
C
V
L
A
E
L
L
L
-----------
G
Q
P
I
F
P
G
D
S
-------
G
----
V
D
Q
L
V
E
I
I
K
V
L
G
T
P
T
R
E
Q
I
R
E
---
M
N
------
P
N
Y
T
E
F
K
F
P
Q
I
K
-
A
-
H
-----
P
W
----
T
K
V
F
R
P
R
T
P
P
E
A
I
A
L
C
S
R
L
L
E
Y
T
P
T
A
R
L
T
P
L
E
A
C
A
H
S
F
F
D
E
-
52
HHSearch
73.53
37%
-109
- C1 -
2B9H
2
FUS3_YEAST
A:
[10-311]
----
S
S
D
F
Q
L
K
S
L
L
G
E
G
A
Y
G
V
V
C
S
A
T
H
K
P
T
G
---
E
I
V
A
I
K
K
I
E
P
F
D
-
K
P
L
F
A
L
R
T
L
R
E
I
K
I
L
K
H
F
K
H
E
N
I
I
T
I
F
N
I
Q
R
-----
P
-----
D
SFEN
F
-----
N
E
V
Y
I
I
Q
E
L
M
Q
T
D
L
H
R
V
I
S
-----
T
---------
Q
M
L
S
D
D
H
I
Q
Y
F
I
Y
Q
T
L
R
A
V
K
V
L
H
G
S
N
V
I
H
R
D
L
K
P
S
N
L
L
I
----
N
S
N
C
-
D
L
K
V
C
D
F
G
L
A
R
I
I
D
------------
V
E
F
V
A
T
R
W
Y
R
A
P
E
V
M
L
T
S
A
K
Y
S
R
A
M
D
V
W
S
C
G
C
I
L
A
E
L
F
L
-----------
R
R
P
I
F
P
G
R
D
-------
Y
----
R
H
Q
L
L
L
I
F
G
I
I
G
T
P
H
S
D
N
D
L
R
CIE
S
P
--
R
--
A
R
E
Y
I
K
-
S
L
P
M
Y
P
-
A
-
A
-----
P
L
----
E
K
M
F
-
P
R
V
N
P
K
G
I
D
L
L
Q
R
M
L
V
F
D
P
A
K
R
I
T
A
K
E
A
L
E
H
P
Y
L
Q
T
-
37
HHSearch
73.50
40%
-102
- C1 -
3N9X
2
?
A:
[26-367]
-----
D
N
Y
I
I
K
H
L
I
G
R
G
S
Y
G
Y
V
Y
L
A
Y
D
K
N
T
E
---
K
N
V
A
I
K
K
V
N
R
M
F
E
D
L
I
D
C
K
R
I
L
R
E
I
T
I
L
N
R
L
K
S
D
Y
I
I
R
L
Y
D
L
I
I
-----
P
-----
D
----
D
LLKF-
D
E
L
Y
I
V
L
E
I
A
D
S
D
L
K
K
L
F
K
-----
T
--------
P
I
F
L
T
E
E
H
I
K
T
I
L
Y
N
L
L
L
G
E
N
F
I
H
E
S
G
I
I
H
R
D
L
K
P
A
N
C
L
L
----
N
Q
D
C
-
S
V
K
V
C
D
F
G
L
A
R
T
I
---------------
H
V
V
T
R
W
Y
R
A
P
E
L
I
L
L
Q
E
N
Y
T
K
S
I
D
I
W
S
T
G
C
I
F
A
E
L
L
N
MLQSHINDPTN
R
F
P
L
F
P
G
S
S
CFPH
E
K
S
N
----
R
D
Q
L
N
I
I
F
N
I
I
G
T
P
T
E
D
D
L
K
N
---
I
N
--
K
P
E
V
I
K
Y
I
K
-
L
F
P
H
R
K
-
P
-
I
-----
N
L
----
K
Q
K
Y
-
P
S
I
S
D
D
G
I
N
L
L
E
S
M
L
K
F
N
P
N
K
R
I
T
I
D
Q
A
L
D
H
P
Y
L
K
D
-
48
HHSearch
69.74
37%
-113
- C1 -
2FST
3
MK14_HUMAN
X:
[28-317]
----
P
E
R
Y
Q
N
L
S
P
V
G
----
G
S
V
C
A
A
F
D
T
K
T
G
---
L
R
V
A
V
K
K
L
S
R
P
F
Q
S
I
I
H
A
K
R
T
Y
R
E
L
R
L
L
K
H
M
K
H
E
N
V
I
G
L
L
D
V
F
T
-----
P
-----
A
----
R
SLEEF
N
D
V
Y
L
V
T
H
L
M
G
A
D
L
N
-------------------
Q
K
L
T
D
D
H
V
Q
F
L
I
Y
Q
I
L
R
G
L
K
Y
I
H
S
A
D
I
I
H
R
D
L
K
P
S
N
L
A
V
----
N
E
D
C
-
E
L
K
I
L
D
------------------------
A
T
R
W
Y
R
A
P
E
I
M
L
N
W
M
H
Y
N
Q
T
V
D
I
W
S
V
G
C
I
M
A
E
L
L
T
-----------
G
R
T
L
F
P
G
T
D
-------
H
----
I
D
Q
L
K
L
I
L
R
L
V
G
T
P
G
A
E
L
L
K
K
---
I
S
--
S
ES
A
R
N
Y
I
Q
-
S
L
T
Q
M
P
-
K
-
M
-----
N
F
----
A
N
V
F
-
I
G
A
N
P
L
A
V
D
L
L
E
K
M
L
V
L
D
S
D
K
R
I
T
A
A
Q
A
L
A
H
A
Y
F
A
Q
-
33
HHSearch
68.96
43%
-104
- C1 -
1UA2
1
CDK7_HUMAN
A:
[13-297]
--------
E
K
L
D
F
L
G
E
G
Q
F
A
T
V
Y
K
A
R
D
K
N
T
N
---
Q
I
V
A
I
K
K
I
---------
N
R
T
A
L
R
E
I
K
L
L
Q
E
L
S
H
P
N
I
I
G
L
L
D
A
F
G
-----
H
-----
K
----------
S
N
I
S
L
V
F
D
F
M
E
T
D
L
E
V
I
I
K
-----
D
N
-------
S
L
V
L
T
P
S
H
I
K
A
Y
M
L
M
T
L
Q
G
L
E
Y
L
H
Q
H
W
I
L
H
R
D
L
K
P
N
N
L
L
L
----
D
E
N
G
-
V
L
K
L
A
D
F
G
L
A
K
S
F
G
--
S
P
N
----
R
A
Y
T
H
Q
V
V
T
R
W
Y
R
A
P
E
L
L
F
G
A
R
M
Y
G
V
G
V
D
M
W
A
V
G
C
I
L
A
E
L
L
L
-----------
R
V
P
F
L
P
G
D
S
-------
D
----
L
D
Q
L
T
R
I
F
E
T
L
G
T
P
T
E
E
Q
W
P
D
---
M
C
--
S
--
L
P
D
Y
V
--
T
F
K
S
F
P
-
G
-
I
-----
P
L
----
H
H
I
F
-
S
A
A
G
D
D
L
L
D
L
I
Q
G
L
F
L
F
N
P
C
A
R
I
T
A
T
Q
A
L
K
M
K
Y
F
S
N
-
49
HHSearch
67.34
41%
-113
- C1 -
4F6U
10
CDK8_HUMAN
A:
[27-339]
-----------
C
K
V
G
R
G
T
Y
G
H
V
Y
K
A
K
R
K
D
G
-
K
D
D
K
D
Y
A
L
K
Q
I
E
----
G
T
G
I
S
M
S
A
C
R
E
I
A
L
L
R
E
L
K
H
P
N
V
I
S
L
Q
K
V
F
L
-----
S
H----
A
----
D
-----
R
K
V
W
L
L
F
D
Y
A
E
H
D
L
W
H
I
I
K
-----
F
H
R
A
S
K----
V
Q
L
P
R
G
M
V
K
S
L
L
Y
Q
I
L
D
G
I
H
Y
L
H
A
N
W
V
L
H
R
D
L
K
P
A
N
I
L
V
M
G
EG
P
E
R
G
-
R
V
K
I
A
D
M
G
F
--------------------
V
V
T
F
W
Y
R
A
P
E
L
L
L
G
A
R
H
Y
T
K
A
I
D
I
W
A
I
G
C
I
F
A
E
L
L
T
-----------
S
E
P
I
F
H
C
R
Q
-------
E
NPYH
H
D
Q
L
D
R
I
F
N
V
M
G
F
P
A
D
K
D
W
E
D
---
I
K
--
K
--
M
P
E
H
S
T
-
L
M
K
D
F
R
-
R
-
N
TYTNC
S
L
I
K
Y
M
E
K
H
K
-
V
K
P
D
S
K
A
F
H
L
L
Q
K
L
L
T
M
D
P
I
K
R
I
T
S
E
Q
A
M
Q
D
P
Y
F
L
E
-
51
HHSearch
67.08
39%
-115
- C1 -
4BGQ
3
CDKL5_HUMAN
A:
[10-300]
---
V
M
N
K
F
E
I
L
G
V
V
G
E
G
A
Y
G
V
V
L
K
C
R
H
K
E
T
H
---
E
I
V
A
I
K
K
F
K
-------
V
K
E
T
T
L
R
E
L
K
M
L
R
T
L
K
Q
E
N
I
V
E
L
K
E
A
F
R
-----
R
-----
R
----
G
------
K
L
Y
L
V
F
E
Y
V
E
K
N
M
L
E
L
L
E
-----
E
M
----
P
---
N
G
V
P
P
E
K
V
K
S
Y
I
Y
Q
L
I
K
A
I
H
W
C
H
K
N
D
I
V
H
R
D
I
K
P
E
N
L
L
I
----
S
H
N
D
-
V
L
K
L
C
D
F
G
F
A
R
N
L
S
--
E
--------------
T
R
W
Y
R
S
P
E
L
L
L
G
-
A
P
Y
G
K
S
V
D
M
W
S
V
G
C
I
L
G
E
L
S
D
-----------
G
Q
P
L
F
P
G
E
S
-------
E
----
I
D
Q
L
F
T
I
Q
K
V
L
G
P
L
P
S
E
Q
M
K
L
---
F
Y
--
S
--
N
P
R
F
H
G
L
R
F
P
A
V
N
-
H
P
Q
-----
S
L
E
---
R
R
Y
L
-
G
I
L
N
S
V
L
L
D
L
M
K
N
L
L
K
L
D
P
A
D
R
Y
L
T
E
Q
C
L
N
H
P
T
F
Q
T
-
31
HHSearch
45.84
63%
13
- C1 -
4EK4
1
CDK2_HUMAN
A:
[3-289]
---
E
M
E
N
F
Q
K
V
E
K
I
G
E
G
T
Y
G
V
V
Y
K
A
R
N
K
L
T
G
---
E
V
V
A
L
K
K
I
---------
P
S
T
A
I
R
E
I
S
L
L
K
E
L
N
H
P
N
I
V
K
L
L
D
V
I
H
-----
T
-----
E
----------
N
K
L
Y
L
V
F
E
F
L
H
Q
D
L
K
K
F
M
D
-----
A
S
----
A
-
L
-
T
G
I
P
L
P
L
I
K
S
Y
L
F
Q
L
L
Q
G
L
A
F
C
H
S
H
R
V
L
H
R
D
L
K
P
Q
N
L
L
I
----
N
T
E
G
-
A
I
K
L
A
D
F
G
L
A
R
A
F
G
--
V
P
V
----
R
T
Y
T
H
E
V
V
T
L
W
Y
R
A
P
E
I
L
L
G
C
K
Y
Y
S
T
A
V
D
I
W
S
L
G
C
I
F
A
E
M
V
T
-----------
R
R
A
L
F
P
G
D
S
-------
E
----
I
D
Q
L
F
R
I
F
R
T
L
G
T
P
D
E
V
V
W
P
G
---
V
T
--
S
--
M
P
D
Y
K
P
-
S
F
P
K
W
A
-
R
-
Q
-----
D
F
----
S
K
V
V
-
P
P
L
D
E
D
G
R
S
L
L
S
Q
M
L
H
Y
D
P
N
K
R
I
S
A
K
A
A
L
A
H
P
F
F
Q
D
-