@TOME V2.3
(Mar 2018)
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 : LinJ_20_0310: (2018-03-09 )
MRRLLPIKKLLGSTAGFRLASTKSSGTERLERLVEEVNGIKSKLKVLEESKAANGLVDLYASRKMKRLDIKRILSIFNDRAYHAPIFCHKALPIILAHFITGLDKLPSGLNAMPSILAVRATLLRSFQKLINCKIPATDDQVQHFRRVLEDIDEEHAERDLLQTMAFGILELKEYVSSHRRALVDLKKTSERWASIPMTEENVLTYAEIQDIQAPLDSVNRCMITYNFISRMFLNHDPDMTMGSNPRRIGMVDLEMNLEHVVRNAVDEAKQICTDHYGDCPDTEFEFTSDSKAFRFPYMSTTIRYIILELMKNAFRATVDSHMKRNDVGMVTCADMPPVRVLINLQEGTEHACICISDEGMGMTDEALAMAMAYSYTSVSKPALQLGDSGEGCASTAPSPLAGYGYGLPMSRVYAQSLGGDLFLQTMEGYGTRAYYYIKIADAQPLCDEETK
Atome Classification :
(20 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
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MRRLL
P
I
K
K
L
LGSTAG
F
R
L
ASTKSS
G
T
E
R
L
E
R
L
V
E
E
V
N
G
I
K
S
K
L
K
V
L
E
E
S
KAAN
G
L
V
D
L
Y
A
SR
K
M
K
R
L
D
I
K
R
I
L
S
I
FNDR---AYH--A
P
--
I
F
C
H
K
A
L
P
I
I
L
A
H
F
I
T
G
L
D
K
LP
S
G
L
N
A
M
P
S
I
L
A
V
R
A
T
L
L
R
S
F
Q
K
L
INC--KI--P--AT
D
D
Q
--
V
Q
H
F
R
R
V
L
E
D
I
D
E
E
H
A
E
R
D
L
L
Q
T
M
A
F
G
I
L
E
L
K
E
Y
V
S
S
H
R
R
A
L
V
D
L
K
K
T
S
E
R
WASIPMTEEN
V
L
T
Y
A
E
I
Q
D
I
Q
A
P
L
D
S
V
N
R
C
M
I
T
Y
N
F
I
S
R
M
-
F
L-NHDPDMTMGS----NP
R
R
---
I
G
M
V
D
LEM
N
L
E
H
V
V
R
N
A
V
D
E
A
K
Q
I
C
T
D
HYGDCPD---T
E
F
---
E
---F---T---S---D---SK
A
F
RFP
Y
M
S
T
T
I
R
Y
I
I
L
E
L
M
K
N
A
F
R
A
T
V
D
S
H
MKRNDV
G
M
V
T
CADMP
P
V
R
V
L
I
N
LQEGT
E
H
A
C
I
C
ISDEGMGM
T
D
E
A
L
A
M
A
M
A
Y
SYTSVSK
P
A
LQLGDSGEGCASTAPSPLAGYGYGL
P
M
S
R
V
Y
A
Q
SLG
G
D
L
F
L
Q
T
M
EGYG
T
R
A
Y
Y
Y
I
K
IADAQPLCDEETK
23
HHSearch
81.78
30%
-24
- C1 -
-
3CRL
1
PDK2_RAT
B:
[13-366]
-------------------------------------------------
L
A
G
A
P
K
Y
I
E
H
F
S
K
F
S
P
S
P
L
S
M
K
Q
F
L
D
-
F
G
S
S
NAC
E
K
T
--
S
F
--
T
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
--
L
D
--
K
DP
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
N
D
--
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
T
Y
G
D
D
--------------------------
P
V
S
N
Q
N
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
----
I
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
G
S
TNPA
H
P
K
H
---
I
G
S
I
D
P
N
C
S
V
S
D
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
---
E
---
V
---
N
---
A
TNA
T
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
S
--------
S
L
T
L
P
P
I
K
I
M
V
A
--
L
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
T
A
P
--------------------
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
A
L
S
T
D
--------
43
Fugue
81.41
28%
-24
- C1 -
-
1JM6
1
PDK2_RAT
A:
[11-374]
-----------------------------------------------
A
S
L
A
G
A
P
K
Y
I
E
H
F
S
K
F
S
P
S
P
L
S
M
K
Q
F
L
D
-
F
G
A
C
---
E
K
T
--
S
F
--
T
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
L
D
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
D
P
V
S
N
--------------------------------
Q
N
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
R
M
L
I
N
Q
-
H
T
-
L
I
F
-----------
D
P
K
H
---
I
G
S
I
D
P
N
C
S
V
S
D
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
---
E
---
V
N
AT
N
---
A
---
T
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
S
S
L
T
L
P
----------
P
I
K
I
M
V
A
L
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
T
A
P
T
P
A
-------------------
G
F
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
A
L
S
T
D
S
V
E
R
L
P
V
Y
1
PsiBlast_PDB
81.31
28%
-30
- C1 -
-
2Q8G
1
PDK1_HUMAN
A:
[12-364]
---------------------------------------------------
G
V
P
G
Q
V
D
F
Y
A
R
F
S
P
S
P
L
S
M
K
Q
F
L
D
F
G
S
V
N
---
A
C
E
--
K
T
S
F
M
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
S
L
L
P
D
N
L
L
R
T
P
S
V
Q
L
V
Q
S
W
Y
I
Q
S
L
Q
E
L
L
D
F
--
K
D
--
K
--
S
A
E
D
A
K
A
I
Y
D
F
T
D
T
V
I
R
I
R
N
R
H
--
N
D
V
I
P
T
M
A
Q
G
V
I
E
Y
K
E
S
F
--------
D
-----------
P
V
T
S
Q
N
V
---------
Q
Y
F
L
D
R
F
Y
M
S
R
I
S
I
----
R
M
-
L
L
-
N
Q
H
S
L
L
F
G
--------
K
H
---
I
G
S
I
N
P
N
C
N
V
L
E
V
I
K
D
G
Y
E
N
A
R
R
L
C
D
L
Y
Y
I
N
S
P
E
---
L
E
L
---
E
E
L
N
A
---
K
---
S
---
P
---
G
Q
P
I
Q
V
V
Y
V
P
S
H
L
Y
H
M
V
F
E
L
F
K
N
A
M
R
A
T
M
E
H
H
A
N
R
--------
G
V
Y
P
P
I
Q
V
H
V
T
L
--
G
N
E
D
L
T
V
K
M
S
D
R
G
G
G
V
P
L
R
K
I
D
R
L
F
N
Y
M
Y
S
T
A
P
R
P
R
V
E
---------
T
S
R
A
V
P
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
Q
Y
F
Q
G
D
L
K
L
Y
S
L
E
G
Y
G
T
D
A
V
I
Y
I
K
-------------
44
Fugue
80.96
27%
-119
- C1 -
-
1GKZ
3
BCKD_RAT
A:
[38-378]
V
R
L
T
P
T
M
M
L
Y
S
G
R
S
Q
D
-------------------------------------------------------------
G
S
H
---
L
L
K
--
S
G
--
R
Y
L
Q
Q
E
L
P
V
R
I
A
H
R
I
K
G
F
R
S
L
P
F
I
I
G
C
N
P
T
I
L
H
V
H
E
L
Y
I
R
A
F
Q
K
L
T
D
F
--
P
P
--
I
--
K
D
Q
A
D
--
E
A
Q
Y
C
Q
L
V
R
Q
L
L
D
D
H
--
K
D
V
V
T
L
L
A
E
G
L
R
E
S
R
K
H
I
E
D
E
K
L
V
R
Y
F
L
D
K
T
L
T
S
R
L
G
I
R
M
L
A
T
H
H
L
A
L
H
E
-------------------------------------
D
----
K
P
D
F
---
V
G
I
I
C
T
R
L
S
P
K
K
I
I
E
K
W
V
D
F
A
R
R
L
C
E
H
K
Y
G
N
A
P
R
---
V
R
I
---
N
---
G
---
H
---
V
---
A
---
A
R
---
F
P
F
I
P
M
P
L
D
Y
I
L
P
E
L
L
K
N
A
M
R
A
T
M
E
S
H
L
D
T
P
Y
---------
N
V
P
D
V
V
I
T
I
A
N
N
D
V
D
L
I
I
R
I
S
D
R
G
G
G
I
A
H
K
D
L
D
R
V
M
D
Y
H
F
T
T
--------------------
A
P
M
H
G
F
G
F
G
L
P
T
S
R
A
Y
A
E
Y
L
G
G
S
L
Q
L
Q
S
L
Q
G
I
G
T
D
V
Y
L
R
L
R
H
I
D
G
R
E
E
------
2
PsiBlast_PDB
80.36
29%
-21
- C1 -
-
1Y8P
2
PDK3_HUMAN
A:
[29-372]
--------------------------------------------------------
I
E
R
Y
S
R
F
S
P
S
P
L
S
I
K
Q
F
L
D
F
G
R
D
N
---
A
C
E
K
T
S
Y
--
M
F
L
R
K
E
L
P
V
R
L
A
N
T
M
R
E
V
N
L
L
P
D
N
L
L
N
R
P
S
V
G
L
V
Q
S
W
Y
M
Q
S
F
L
E
L
L
E
Y
EN
K
S
--
P
--
E
D
P
Q
V
--
L
D
N
F
L
Q
V
L
I
K
V
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
I
E
Y
K
E
-----------------
K
F
G
F
D
P
F
I
S
T
N
---------
I
Q
Y
F
L
D
R
F
Y
T
N
R
I
S
F
----
R
M
-
L
I
-
N
Q
H
T
L
L
F
G
G
D
TNPV
H
P
K
H
---
I
G
S
I
D
P
T
C
N
V
A
D
V
V
K
D
A
Y
E
T
A
K
M
L
C
E
Q
Y
Y
L
V
A
P
E
L
E
V
E
E
F
---
N
---
A
---
K
---
A
---
P
---
D
K
P
I
Q
V
V
Y
V
P
S
H
L
F
H
M
L
F
E
L
F
K
N
S
M
R
A
T
V
E
L
Y
E
D
R
K
E
-------
G
Y
P
A
V
K
T
L
V
T
L
--
G
K
E
D
L
S
I
K
I
S
D
L
G
G
G
V
P
L
R
K
I
D
R
L
F
N
Y
M
Y
S
T
A
P
R
------------------
P
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
R
Y
F
Q
G
D
L
K
L
Y
S
M
E
G
V
G
T
D
A
V
I
Y
L
K
-------------
3
PsiBlast_PDB
79.01
29%
-27
- C1 -
-
2Q8I
3
PDK3_HUMAN
A:
[29-372]
--------------------------------------------------------
I
E
R
Y
S
R
F
S
P
S
P
L
S
I
K
Q
F
L
D
F
G
R
D
N
---
A
C
E
K
T
S
Y
--
M
F
L
R
K
E
L
P
V
R
L
A
N
T
M
R
E
V
N
L
L
P
D
N
L
L
N
R
P
S
V
G
L
V
Q
S
W
Y
M
Q
S
F
L
E
L
L
E
Y
EN
K
S
--
P
--
E
D
P
Q
V
--
L
D
N
F
L
Q
V
L
I
K
V
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
I
E
Y
K
E
-----------------
K
F
G
F
D
P
F
I
S
T
N
---------
I
Q
Y
F
L
D
R
F
Y
T
N
R
I
S
F
----
R
M
-
L
I
-
N
Q
H
T
L
L
F
G
--TNPV
H
P
K
H
---
I
G
S
I
D
P
T
C
N
V
A
D
V
V
K
D
A
Y
E
T
A
K
M
L
C
E
Q
Y
Y
L
V
A
P
E
L
E
V
E
E
F
---
N
---
A
---
K
---
A
---
P
---
D
K
P
I
Q
V
V
Y
V
P
S
H
L
F
H
M
L
F
E
L
F
K
N
S
M
R
A
T
V
E
L
Y
E
D
R
K
E
-------
G
Y
P
A
V
K
T
L
V
T
L
--
G
K
E
D
L
S
I
K
I
S
D
L
G
G
G
V
P
L
R
K
I
D
R
L
F
N
Y
M
Y
S
---------------------------
G
Y
G
L
P
I
S
R
L
Y
A
R
Y
F
Q
G
D
L
K
L
Y
S
M
E
G
V
G
T
D
A
V
I
Y
L
K
-------------
4
PsiBlast_PDB
78.92
29%
-31
- C1 -
-
2PNR
-
PDK3_HUMAN
A:
[29-372]
--------------------------------------------------------
I
E
R
Y
S
R
F
S
P
S
P
L
S
I
K
Q
F
L
D
F
G
R
D
N
---
A
C
E
K
T
S
Y
--
M
F
L
R
K
E
L
P
V
R
L
A
N
T
M
R
E
V
N
L
L
P
D
N
L
L
N
R
P
S
V
G
L
V
Q
S
W
Y
M
Q
S
F
L
E
L
L
E
Y
EN
K
S
--
P
--
E
D
P
Q
V
--
L
D
N
F
L
Q
V
L
I
K
V
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
I
E
Y
K
E
-----------------
K
F
G
F
D
P
F
I
S
T
N
---------
I
Q
Y
F
L
D
R
F
Y
T
N
R
I
S
F
----
R
M
-
L
I
-
N
Q
H
T
L
L
F
G
G
D
TNPV
H
P
K
H
---
I
G
S
I
D
P
T
C
N
V
A
D
V
V
K
D
A
Y
E
T
A
K
M
L
C
E
Q
Y
Y
L
V
A
P
E
L
E
V
E
E
F
---
N
---
A
---
K
---
A
---
P
---
D
K
P
I
Q
V
V
Y
V
P
S
H
L
F
H
M
L
F
E
L
F
K
N
S
M
R
A
T
V
E
L
Y
E
D
R
K
E
-------
G
Y
P
A
V
K
T
L
V
T
L
--
G
K
E
D
L
S
I
K
I
S
D
L
G
G
G
V
P
L
R
K
I
D
R
L
F
N
Y
-----------------------
A
A
P
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
R
Y
F
Q
G
D
L
K
L
Y
S
M
E
G
V
G
T
D
A
V
I
Y
L
K
-------------
24
HHSearch
78.53
31%
-20
- C1 -
-
5J71
2
PDK2_HUMAN
A:
[6-366]
-------------------------------------------------
L
A
G
A
P
K
Y
I
E
H
F
S
K
F
S
P
S
P
L
S
M
K
Q
F
L
D
-----C--
E
K
T
--
S
F
--
T
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
--
L
D
KD
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
N
D
--
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
T
Y
G
D
D
--------------------------
P
V
S
N
Q
N
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
----
I
R
M
-
L
I
-
N
Q
H
T
L
I
F
----------
H
---
I
G
S
I
D
P
N
C
N
V
S
E
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
---
E
---
I
---
N
AAN
S
----
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
S
--------
S
L
I
L
P
P
I
K
V
M
V
A
--
L
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
-----------------------------
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
A
L
S
T
D
--------
25
HHSearch
74.99
27%
-37
- C1 -
-
2E0A
1
PDK4_HUMAN
B:
[4-353]
-----------------------------------------------------
P
R
E
V
E
H
F
S
R
Y
S
P
S
P
L
S
M
K
Q
L
L
D
-
F
G
S
-C--
E
R
T
--
S
F
--
A
F
L
R
Q
E
L
P
V
R
L
A
N
I
L
K
E
I
D
I
L
P
T
Q
L
V
N
T
S
S
V
Q
L
V
K
S
W
Y
I
Q
S
L
M
D
L
V
E
F
--
H
E
--
K
SP
D
D
Q
K
A
--
L
S
D
F
V
D
T
L
I
K
V
R
N
R
H
H
N
--
V
V
P
T
M
A
Q
G
I
I
E
Y
K
D
A
C
T
V
D
--------------------------
P
V
T
N
Q
N
L
Q
Y
F
L
D
R
F
Y
M
N
R
I
S
----
T
R
M
-
L
M
N
Q
H
I
L
I
F
S
D
S
-----
Q
T
G
N
PSH
I
G
S
I
D
P
N
C
D
V
V
A
V
V
Q
D
A
F
E
C
S
R
M
L
C
D
Q
Y
Y
L
S
S
P
E
---
L
K
L
TQV
N
---
G
---
K
---
F
---
P
---
D
Q
P
I
H
I
V
Y
V
P
S
H
L
H
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
H
Q
E
N
--------
Q
P
S
L
T
P
I
E
V
I
V
V
--
L
G
K
E
D
L
T
I
K
I
S
D
R
G
G
G
V
P
L
R
I
I
D
R
L
F
S
Y
T
Y
S
T
A
P
--------------------
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
N
L
Y
S
L
S
G
Y
G
T
D
A
I
I
Y
L
K
A
L
S
S
E
--------
19
PsiBlast_PDB
74.18
29%
-26
- C1 -
-
1JM6
1
PDK2_RAT
A:
[52-361]
---------------------------------------------------------------------------------------------
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
L
D
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
-----------------------
D
P
V
S
N
Q
N
---------
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
----
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
-------
P
K
H
---
I
G
S
I
D
P
N
C
S
V
S
D
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
E
V
N
A
---
T
---
N
---
A
---
T
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
--------
S
S
L
T
L
P
P
I
K
I
M
V
A
L
--
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
T
A
P
T
P
-------------------
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
-------------
26
HHSearch
73.00
27%
-26
- C1 -
-
3D2R
2
PDK4_HUMAN
B:
[3-361]
----------------------------------------------------
V
P
R
E
V
E
H
F
S
R
Y
S
P
S
P
L
S
M
K
Q
L
L
D
-
F
G
S
E
NAC
E
R
T
--
S
F
--
A
F
L
R
Q
E
L
P
V
R
L
A
N
I
L
K
E
I
D
I
L
P
T
Q
L
V
N
T
S
S
V
Q
L
V
K
S
W
Y
I
Q
S
L
M
D
L
V
E
F
--
H
E
--
K
SP
D
D
Q
K
A
--
L
S
D
F
V
D
T
L
I
K
V
R
N
R
H
H
N
--
V
V
P
T
M
A
Q
G
I
I
E
Y
K
-
A
C
T
V
D
--------------------------
P
V
T
N
Q
N
L
Q
Y
F
L
D
R
F
Y
M
N
R
I
S
----
T
R
M
L
M
N
-
Q
H
I
L
I
F
S
D
S
-----
Q
T
G
N
PSH
I
G
S
I
D
P
N
C
D
V
V
A
V
V
Q
D
A
F
E
C
S
R
M
L
C
D
Q
Y
Y
L
S
S
P
E
---
L
K
L
---
T
---
Q
V
NG
K
---
F
---
P
---
D
Q
P
I
H
I
V
Y
V
P
S
H
L
H
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
H
Q
E
N
--------
Q
P
S
L
T
P
I
E
V
I
V
V
--
L
G
K
E
D
L
T
I
K
I
S
D
R
G
G
G
V
P
L
R
I
I
D
R
L
F
S
Y
T
Y
S
T
A
P
T
P
-----------------
P
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
N
L
Y
S
L
S
G
Y
G
T
D
A
I
I
Y
L
K
A
L
S
S
E
S
-------
18
PsiBlast_PDB
72.89
29%
-40
- C1 -
-
2BU8
2
PDK2_HUMAN
A:
[39-348]
---------------------------------------------------------------------------------------------
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
LD
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
-----------------
T
Y
G
D
D
P
V
S
N
Q
N
---------
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
----
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
G
S
TNPA
H
P
K
H
---
I
G
S
I
D
P
N
C
N
V
S
E
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
E
I
N
A
---
A
---
N
---
S
---
K
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
--------
S
S
L
I
L
P
P
I
K
V
M
V
A
L
--
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
---------------------
T
P
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
-------------
6
PsiBlast_PDB
72.15
29%
-28
- C1 -
-
4MP2
2
PDK2_HUMAN
A:
[45-354]
---------------------------------------------------------------------------------------------
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
L
D
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
-----------------
T
Y
G
D
D
P
V
S
N
Q
N
---------
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
----
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
--PA--
H
P
K
H
---
I
G
S
I
D
P
N
C
N
V
S
E
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
E
I
N
A
---
A
---
N
---
S
---
K
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
--------
S
S
L
I
L
P
P
I
K
V
M
V
A
L
--
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
---------------------------
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
-------------
12
PsiBlast_PDB
70.08
29%
-7
- C1 -
-
5M4P
2
PDK2_HUMAN
A:
[53-362]
---------------------------------------------------------------------------------------------
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
L
D
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
-----------------
T
Y
G
D
D
P
V
S
N
Q
N
---------
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
----
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
-------
P
K
H
---
I
G
S
I
D
P
N
C
N
V
S
E
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
E
I
N
A
---
A
---
N
---
S
---
K
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
--------
S
S
L
I
L
P
P
I
K
V
M
V
A
L
--
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
T
A
P
--------------------
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
-------------
10
PsiBlast_PDB
70.07
29%
-6
- C1 -
-
5M4M
2
PDK2_HUMAN
A:
[53-362]
---------------------------------------------------------------------------------------------
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
L
D
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
-----------------
T
Y
G
D
D
P
V
S
N
Q
N
---------
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
----
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
-------
P
K
H
---
I
G
S
I
D
P
N
C
N
V
S
E
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
E
I
N
A
---
A
---
N
---
S
---
K
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
--------
S
S
L
I
L
P
P
I
K
V
M
V
A
L
--
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
T
A
P
-------------------
P
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
-------------
5
PsiBlast_PDB
68.93
29%
-6
- C1 -
-
4V26
2
PDK2_HUMAN
A:
[52-361]
---------------------------------------------------------------------------------------------
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
L
D
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
-----------------
T
Y
G
D
D
P
V
S
N
Q
N
---------
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
----
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
-------
P
K
H
---
I
G
S
I
D
P
N
C
N
V
S
E
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
E
I
N
A
---
A
---
N
---
S
---
K
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
--------
S
S
L
I
L
P
P
I
K
V
M
V
A
L
--
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
T
A
P
-------------------
P
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
-------------
17
PsiBlast_PDB
68.33
29%
-3
- C1 -
-
2BU7
1
PDK2_HUMAN
A:
[39-348]
---------------------------------------------------------------------------------------------
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
LD
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
-----------------
T
Y
G
D
D
P
V
S
N
Q
N
---------
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
----
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
-------
P
K
H
---
I
G
S
I
D
P
N
C
N
V
S
E
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
E
I
N
A
---
A
---
N
---
S
---
K
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
--------
S
S
L
I
L
P
P
I
K
V
M
V
A
L
--
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
T
A
P
------------------------
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
-------------
9
PsiBlast_PDB
68.14
29%
-10
- C1 -
-
5M4K
2
PDK2_HUMAN
A:
[53-362]
---------------------------------------------------------------------------------------------
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
L
D
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
-----------------
T
Y
G
D
D
P
V
S
N
Q
N
---------
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
----
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
-------
P
K
H
---
I
G
S
I
D
P
N
C
N
V
S
E
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
E
I
N
A
---
A
---
N
---
S
---
K
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
--------
S
S
L
I
L
P
P
I
K
V
M
V
A
L
--
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
T
A
P
-------------------------
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
-------------
8
PsiBlast_PDB
68.04
29%
-7
- C1 -
-
4V25
2
PDK2_HUMAN
A:
[53-362]
---------------------------------------------------------------------------------------------
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
L
D
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
-----------------
T
Y
G
D
D
P
V
S
N
Q
N
---------
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
----
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
-------
P
K
H
---
I
G
S
I
D
P
N
C
N
V
S
E
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
E
I
N
A
---
A
---
N
---
S
---
K
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
--------
S
S
L
I
L
P
P
I
K
V
M
V
A
L
--
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
T
A
P
-------------------
P
L
A
G
F
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
-------------
20
PsiBlast_PDB
67.20
29%
-4
- C1 -
-
3CRK
-
PDK2_RAT
A:
[52-361]
---------------------------------------------------------------------------------------------
F
L
R
Q
E
L
P
V
R
L
A
N
I
M
K
E
I
N
L
L
P
D
R
V
L
S
T
P
S
V
Q
L
V
Q
S
W
Y
V
Q
S
L
L
D
I
M
E
F
L
D
K
D
--
P
--
E
D
H
R
T
--
L
S
Q
F
T
D
A
L
V
T
I
R
N
R
H
--
N
D
V
V
P
T
M
A
Q
G
V
L
E
Y
K
D
-----------------
T
Y
G
D
D
P
V
S
N
Q
N
---------
I
Q
Y
F
L
D
R
F
Y
L
S
R
I
S
I
----
R
M
-
L
I
-
N
Q
H
T
L
I
F
D
-------
P
K
H
---
I
G
S
I
D
P
N
C
S
V
S
D
V
V
K
D
A
Y
D
M
A
K
L
L
C
D
K
Y
Y
M
A
S
P
D
---
L
E
I
---
Q
E
V
N
A
---
T
---
N
---
A
---
T
Q
P
I
H
M
V
Y
V
P
S
H
L
Y
H
M
L
F
E
L
F
K
N
A
M
R
A
T
V
E
S
H
E
--------
S
S
L
T
L
P
P
I
K
I
M
V
A
L
--
G
E
E
D
L
S
I
K
M
S
D
R
G
G
G
V
P
L
R
K
I
E
R
L
F
S
Y
M
Y
S
T
A
P
------------------------
G
Y
G
L
P
I
S
R
L
Y
A
K
Y
F
Q
G
D
L
Q
L
F
S
M
E
G
F
G
T
D
A
V
I
Y
L
K
-------------