@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 : PF00294_ADK_RA: (2014-09-04 )
MAAADEPKPKKLKVEAPEALSENVLFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSMKVAQWMIQEPHRAATFFGCIGIDKFGEILKSKAADAHVDAHYYEQNEQPTGTCAACITGGNRSLVANLAAANCYKKEKHLDLENNWMLVEKARVYYIAGFFLTVSPESVLKVARYAAENNRTFTLNLSAPFISQFFKEALMEVMPYVDILFGNETEAATFAREQGFETKDIKEIARKTQALPKVNSKRQRTVIFTQGRDDTIVATGNDVTAFPVLDQNQEEIVDTNGAGDAFVGGFLSQLVSNKPLTECIRAGHYAASVIIRRTGCTFPEKPDFH
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MAAADEPKP
K
K
L
K
VEA
P
E
A
L
SEN
V
-
L
FGMGNP
L
L
D
I
S
A
VV
D
K
D
F
L
D
KYSLKPND
Q
I
L
A
E
D
K
H
K
E
L
F
D
E
L
V
K
K
F
K
V
E
Y
HAGGSTQ
N
S
M
K
V
A
Q
W
M
IQEPHR
A
--
A
T
F
F
G
CI
G
I
D
K
F
G
E
I
L
K
SKAADAHV
D
A
H
Y
YEQNEQ-P--TG
T
C
A
A
C
ITGG
N
R
S
L
V
A
N
L
A
A
A
N
C
YKKEKHLDLEN
N
W
M
-
L
V
E
K
A
R
V
Y
Y
I
A
G
F
F
L
T
V
S
P
E
S
V
L
K
V
A
R
Y
A-A-ENN
R
T
F
T
L
NLS
A
P
F
I
S
Q
F
F
K
E
A
L
M
E
VM
P
Y
V
D
I
L
FGNE
T
E
A
A
T
F
A
R
EQGF--
E
T
--
K
D
I
K
E
I
A
---
R
K
T
Q
ALPKV-----------NS-K-R
Q
R
T
V
I
F
TQGRD
D
T
I
V
A--T-----G--ND--
V
T
A
FPVLDQ
N
Q
---
E
E
IVDTNGA
G
D
A
F
V
G
G
F
L
S
Q
L
VSNK
P
L
T
E
C
I
RAG
H
Y
A
A
S
V
I
I
RRTGCTFPEKPDFH
22
PsiBlast_CBE
93.83
90%
-103
- C1 -
2I6B
1
ADK_HUMAN
A:
[3-330]
------------------
S
V
R
E
N
I
-
L
F
G
M
G
N
P
L
L
D
I
S
A
V
V
D
K
D
F
L
D
K
Y
S
L
K
P
N
D
Q
I
L
A
E
D
K
H
K
E
L
F
D
E
L
V
K
K
F
K
V
E
Y
H
A
G
G
S
T
Q
N
S
I
K
V
A
Q
W
M
I
Q
Q
P
H
K
A
--
A
T
F
F
G
C
I
G
I
D
K
F
G
E
I
L
K
R
K
A
A
E
A
H
V
D
A
H
Y
Y
E
Q
N
E
Q
-
P
--
T
G
T
C
A
A
C
I
T
G
D
N
R
S
L
I
A
N
L
A
A
A
N
C
Y
K
K
E
K
H
L
D
L
E
K
N
W
M
-
L
V
E
K
A
R
V
C
Y
I
A
G
F
F
L
T
V
S
P
E
S
V
L
K
V
A
H
H
A
-
S
-
E
N
N
R
I
F
T
L
N
L
S
A
P
F
I
S
Q
F
Y
K
E
S
L
M
K
V
M
P
Y
V
D
I
L
F
G
N
E
T
E
A
A
T
F
A
R
E
Q
G
F
--
E
T
--
K
D
I
K
E
I
A
---
K
K
T
Q
A
L
P
K
M
-----------
N
S
-
K
-
R
Q
R
I
V
I
F
T
Q
G
R
D
D
T
I
M
A
--
T
-----
E
--
S
E
--
V
T
A
F
A
V
L
D
Q
D
Q
---
K
E
I
I
D
T
N
G
A
G
D
A
F
V
G
G
F
L
S
Q
L
V
S
D
K
P
L
T
E
C
I
R
A
G
H
Y
A
A
S
I
I
---------------
21
PsiBlast_CBE
92.27
90%
-102
- C1 -
2I6B
1
ADK_HUMAN
B:
[3-328]
------------------
S
V
R
E
N
I
-
L
F
G
M
G
N
P
L
L
D
I
S
A
V
V
D
K
D
F
L
D
K
Y
S
L
K
P
N
D
Q
I
L
A
E
D
K
H
K
E
L
F
D
E
L
V
K
K
F
K
V
E
Y
H
A
G
G
S
T
Q
N
S
I
K
V
A
Q
W
M
I
Q
Q
P
H
K
A
--
A
T
F
F
G
C
I
G
I
D
K
F
G
E
I
L
K
R
K
A
A
E
A
H
V
D
A
H
Y
Y
E
Q
N
E
Q
-
P
--
T
G
T
C
A
A
C
I
T
G
D
N
R
S
L
I
A
N
L
A
A
A
N
C
Y
K
K
E
K
H
L
D
L
E
K
N
W
M
-
L
V
E
K
A
R
V
C
Y
I
A
G
F
F
L
T
V
S
P
E
S
V
L
K
V
A
H
H
A
-
S
-
E
N
N
R
I
F
T
L
N
L
S
A
P
F
I
S
Q
F
Y
K
E
S
L
M
K
V
M
P
Y
V
D
I
L
F
G
N
E
T
E
A
A
T
F
A
R
E
Q
G
F
--
E
T
--
K
D
I
K
E
I
A
---
K
K
T
Q
A
L
P
K
M
-----------
N
S
-
K
-
R
Q
R
I
V
I
F
T
Q
G
R
D
D
T
I
M
A
--
T
-----
E
--
S
E
--
V
T
A
F
A
V
L
D
Q
D
Q
---
K
E
I
I
D
T
N
G
A
G
D
A
F
V
G
G
F
L
S
Q
L
V
S
D
K
P
L
T
E
C
I
R
A
G
H
Y
A
A
S
-----------------
40
HHSearch
83.74
52%
-96
- C1 -
3LOO
1
?
A:
[22-361]
--------------------
R
D
G
M
-
L
V
G
L
G
N
P
L
L
D
I
S
A
V
V
E
K
D
L
L
N
K
Y
D
M
Q
P
N
N
A
I
L
A
E
E
K
H
M
P
M
Y
Q
E
L
I
E
K
Y
Q
A
E
Y
I
A
G
G
S
V
Q
N
S
L
R
V
A
Q
W
I
L
Q
R
P
-
R
T
--
A
I
F
F
G
C
V
G
Q
D
E
Y
A
R
I
L
E
E
R
A
T
S
N
G
V
N
V
Q
Y
Q
R
S
A
T
S
-
P
--
T
G
T
C
A
V
L
V
T
G
T
Q
R
S
L
C
A
N
L
A
A
A
N
D
F
T
P
E
-
H
L
R
S
D
G
N
R
A
-
Y
L
Q
G
A
Q
F
F
Y
V
S
G
F
F
F
T
V
S
F
E
S
A
L
S
V
A
K
E
A
-
A
-
A
T
G
R
M
F
M
M
N
L
S
A
P
F
V
P
Q
F
Y
K
N
N
L
E
E
I
F
P
Y
V
D
V
L
F
G
N
E
T
E
A
I
A
L
A
K
E
F
N
Y
--
G
T
--
E
D
L
R
E
I
G
---
K
R
I
A
A
L
P
K
E
-----------
N
G
-
K
-
R
K
R
I
V
I
I
T
Q
G
S
D
P
V
L
L
I
--
E
-----
A
GT
D
N
--
V
R
E
F
P
V
Q
K
L
A
---------
T
N
G
A
G
D
A
F
V
G
G
F
L
A
Q
L
L
Q
S
R
T
V
D
V
C
I
K
C
G
I
W
A
A
R
E
I
I
Q
R
S
G
C
T
F
E
G
E
P
S
F
-
27
PsiBlast_CBE
79.55
90%
-105
- C1 -
1BX4
2
ADK_HUMAN
A:
[4-345]
-------------------
V
R
E
N
I
-
L
F
G
M
G
N
P
L
L
D
I
S
A
V
V
D
K
D
F
L
D
K
Y
S
L
K
P
N
D
Q
I
L
A
E
D
K
H
K
E
L
F
D
E
L
V
K
K
F
K
V
E
Y
H
A
G
G
S
T
Q
N
S
I
K
V
A
Q
W
M
I
Q
Q
P
H
K
A
--
A
T
F
F
G
C
I
G
I
D
K
F
G
E
I
L
K
R
K
A
A
E
A
H
V
D
A
H
Y
Y
E
Q
N
E
Q
-
P
--
T
G
T
C
A
A
C
I
T
G
D
N
R
S
L
I
A
N
L
A
A
A
N
C
Y
K
K
E
K
H
L
D
L
E
K
N
W
M
-
L
V
E
K
A
R
V
C
Y
I
A
G
F
F
L
T
V
S
P
E
S
V
L
K
V
A
H
H
A
-
S
-
E
N
N
R
I
F
T
L
N
L
S
A
P
F
I
S
Q
F
Y
K
E
S
L
M
K
V
M
P
Y
V
D
I
L
F
G
N
E
T
E
A
A
T
F
A
R
E
Q
G
F
--
E
T
--
K
D
I
K
E
I
A
---
K
K
T
Q
A
L
P
K
M
-----------
N
S
-
K
-
R
Q
R
I
V
I
F
T
Q
G
R
D
D
T
I
M
A
--
T
-----
E
--
S
E
--
V
T
A
F
A
V
L
D
Q
D
Q
---
K
E
I
I
D
T
N
G
A
G
D
A
F
V
G
G
F
L
S
Q
L
V
S
D
K
P
L
T
E
C
I
R
A
G
H
Y
A
A
S
I
I
I
R
R
T
G
C
T
F
P
E
K
P
D
F
H
9
PsiBlast_PDB
77.92
38%
-95
- C1 -
3VAQ
1
?
A:
[24-366]
-------------------
L
S
E
G
Y
-
V
F
G
M
G
N
P
L
L
D
I
I
V
D
A
D
D
F
M
Y
R
K
Y
N
L
K
K
D
N
I
V
L
A
E
E
K
H
M
T
I
Y
D
E
I
Q
K
K
K
K
L
N
Y
I
A
G
G
A
T
L
N
T
V
K
M
I
Q
W
I
I
Q
K
P
F
-
V
--
C
S
Y
V
G
C
I
G
A
D
I
Q
G
K
Y
I
K
N
D
C
S
A
L
D
L
V
T
E
F
-
Q
I
A
E
E
-
P
LM
T
G
K
V
A
V
L
V
S
E
K
L
R
S
M
V
T
Y
L
G
A
A
-
C
D
L
S
L
A
H
I
E
Q
P
H
V
W
S
-
L
V
E
K
A
Q
V
Y
Y
I
A
G
F
V
I
N
T
C
Y
E
G
M
L
K
I
A
K
H
S
-
L
-
E
N
E
K
L
F
C
F
N
L
S
A
P
F
L
S
Q
F
N
T
K
E
V
D
E
M
I
S
Y
S
N
I
V
F
G
N
E
S
E
A
E
A
Y
G
E
V
H
G
L
--
L
E
--
D
T
V
H
A
T
A
---
R
Y
I
A
D
L
P
F
A
-----------
D
G
K
K
-
R
K
R
L
V
I
I
T
R
G
K
N
P
L
L
Y
T
--
D
-----
S
--
S
D
S
E
I
H
Q
F
M
V
E
Q
F
K
D
---
D
Q
I
I
D
T
N
G
A
G
D
A
F
A
A
G
F
I
A
D
Y
I
R
G
K
P
M
I
T
S
L
H
A
A
V
K
A
A
A
Y
I
I
C
R
S
G
F
S
L
G
S
R
D
S
Y
-
41
HHSearch
77.34
38%
-96
- C1 -
3VAS
1
?
A:
[23-364]
--------------------
S
E
G
Y
-
V
F
G
M
G
N
P
L
L
D
I
I
V
D
A
D
D
F
M
Y
R
K
Y
N
L
K
K
D
N
I
V
L
A
E
E
K
H
M
T
I
Y
D
E
I
Q
K
K
K
K
L
N
Y
I
A
G
G
A
T
L
N
T
V
K
M
I
Q
W
I
I
Q
K
P
-
F
V
--
C
S
Y
V
G
C
I
G
A
D
I
Q
G
K
Y
I
K
N
D
C
S
A
L
D
L
V
T
E
F
Q
I
A
E
E
P
L
M
--
T
G
K
V
A
V
L
V
S
E
K
L
R
S
M
V
T
Y
L
G
A
A
C
D
L
S
L
A
-
H
I
E
Q
P
H
V
W
S
-
L
V
E
K
A
Q
V
Y
Y
I
A
G
F
V
I
N
T
C
Y
E
G
M
L
K
I
A
K
H
S
-
L
-
E
N
E
K
L
F
C
F
N
L
S
A
P
F
L
S
Q
F
N
T
K
E
V
D
E
M
I
S
Y
S
N
I
V
F
G
N
E
S
E
A
E
A
Y
G
E
V
H
G
L
--
L
E
--
D
T
V
H
A
T
A
---
R
Y
I
A
D
L
P
F
A
-----------
D
G
-
K
K
R
K
R
L
V
I
I
T
R
G
K
N
P
L
L
Y
T
--
D
SS---
D
--
S
E
--
I
H
Q
F
M
V
E
Q
F
K
D
---
D
Q
I
I
D
T
N
G
A
G
D
A
F
A
A
G
F
I
A
D
Y
I
R
G
K
P
M
I
T
S
L
H
A
A
V
K
A
A
A
Y
I
I
C
R
S
G
F
S
L
G
S
R
D
S
Y
-
8
PsiBlast_PDB
77.29
38%
-95
- C1 -
3UQ9
2
?
A:
[24-366]
-------------------
L
S
E
G
Y
-
V
F
G
M
G
N
P
L
L
D
I
I
V
D
A
D
D
F
M
Y
R
K
Y
N
L
K
K
D
N
I
V
L
A
E
E
K
H
M
T
I
Y
D
E
I
Q
K
K
K
K
L
N
Y
I
A
G
G
A
T
L
N
T
V
K
M
I
Q
W
I
I
Q
K
P
F
-
V
--
C
S
Y
V
G
C
I
G
A
D
I
Q
G
K
Y
I
K
N
D
C
S
A
L
D
L
V
T
E
F
-
Q
I
A
E
E
-
P
LM
T
G
K
V
A
V
L
V
S
E
K
L
R
S
M
V
T
Y
L
G
A
A
-
C
D
L
S
L
A
H
I
E
Q
P
H
V
W
S
-
L
V
E
K
A
Q
V
Y
Y
I
A
G
F
V
I
N
T
C
Y
E
G
M
L
K
I
A
K
H
S
-
L
-
E
N
E
K
L
F
C
F
N
L
S
A
P
F
L
S
Q
F
N
T
K
E
V
D
E
M
I
S
Y
S
N
I
V
F
G
N
E
S
E
A
E
A
Y
G
E
V
H
G
L
--
L
E
--
D
T
V
H
A
T
A
---
R
Y
I
A
D
L
P
F
A
-----------
D
G
K
K
-
R
K
R
L
V
I
I
T
R
G
K
N
P
L
L
Y
T
--
D
-----
S
--
S
D
S
E
I
H
Q
F
M
V
E
Q
F
K
D
---
D
Q
I
I
D
T
N
G
A
G
D
A
F
A
A
G
F
I
A
D
Y
I
R
G
K
P
M
I
T
S
L
H
A
A
V
K
A
A
A
Y
I
I
C
R
S
G
F
S
L
G
S
R
D
S
Y
-
7
PsiBlast_PDB
77.12
38%
-94
- C1 -
3UQ6
2
?
A:
[24-366]
-------------------
L
S
E
G
Y
-
V
F
G
M
G
N
P
L
L
D
I
I
V
D
A
D
D
F
M
Y
R
K
Y
N
L
K
K
D
N
I
V
L
A
E
E
K
H
M
T
I
Y
D
E
I
Q
K
K
K
K
L
N
Y
I
A
G
G
A
T
L
N
T
V
K
M
I
Q
W
I
I
Q
K
P
F
-
V
--
C
S
Y
V
G
C
I
G
A
D
I
Q
G
K
Y
I
K
N
D
C
S
A
L
D
L
V
T
E
F
-
Q
I
A
E
E
-
P
LM
T
G
K
V
A
V
L
V
S
E
K
L
R
S
M
V
T
Y
L
G
A
A
-
C
D
L
S
L
A
H
I
E
Q
P
H
V
W
S
-
L
V
E
K
A
Q
V
Y
Y
I
A
G
F
V
I
N
T
C
Y
E
G
M
L
K
I
A
K
H
S
-
L
-
E
N
E
K
L
F
C
F
N
L
S
A
P
F
L
S
Q
F
N
T
K
E
V
D
E
M
I
S
Y
S
N
I
V
F
G
N
E
S
E
A
E
A
Y
G
E
V
H
G
L
--
L
E
--
D
T
V
H
A
T
A
---
R
Y
I
A
D
L
P
F
A
-----------
D
G
K
K
-
R
K
R
L
V
I
I
T
R
G
K
N
P
L
L
Y
T
--
D
-----
S
--
S
D
S
E
I
H
Q
F
M
V
E
Q
F
K
D
---
D
Q
I
I
D
T
N
G
A
G
D
A
F
A
A
G
F
I
A
D
Y
I
R
G
K
P
M
I
T
S
L
H
A
A
V
K
A
A
A
Y
I
I
C
R
S
G
F
S
L
G
S
R
D
S
Y
-
10
PsiBlast_PDB
76.08
38%
-96
- C1 -
4DC3
1
?
A:
[24-366]
-------------------
L
S
E
G
Y
-
V
F
G
M
G
N
P
L
L
D
I
I
V
D
A
D
D
F
M
Y
R
K
Y
N
L
K
K
D
N
I
V
L
A
E
E
K
H
M
T
I
Y
D
E
I
Q
K
K
K
K
L
N
Y
I
A
G
G
A
T
L
N
T
V
K
M
I
Q
W
I
I
Q
K
P
F
-
V
--
C
S
Y
V
G
C
I
G
A
D
I
Q
G
K
Y
I
K
N
D
C
S
A
L
D
L
V
T
E
F
-
Q
I
A
E
E
-
P
LM
T
G
K
V
A
V
L
V
S
---
R
S
M
V
T
Y
L
G
A
A
-
C
D
L
S
L
A
H
I
E
Q
P
H
V
W
S
-
L
V
E
K
A
Q
V
Y
Y
I
A
G
F
V
I
N
T
C
Y
E
G
M
L
K
I
A
K
H
S
-
L
-
E
N
E
K
L
F
C
F
N
L
S
A
P
F
L
S
Q
F
N
T
K
E
V
D
E
M
I
S
Y
S
N
I
V
F
G
N
E
S
E
A
E
A
Y
G
E
V
H
G
L
--
L
E
--
D
T
V
H
A
T
A
---
R
Y
I
A
D
L
P
F
A
-----------
D
G
K
K
-
R
K
R
L
V
I
I
T
R
G
K
N
P
L
L
Y
T
--
D
-----
S
--
S
D
S
E
I
H
Q
F
M
V
E
Q
F
K
D
---
D
Q
I
I
D
--
G
A
G
D
A
F
A
A
G
F
I
A
D
Y
I
R
G
K
P
M
I
T
S
L
H
A
A
V
K
A
A
A
Y
I
I
C
R
S
G
F
S
L
G
S
R
D
S
Y
-
3
PsiBlast_PDB
75.66
41%
-90
- C1 -
3OTX
1
?
A:
[15-345]
------------------------------
N
P
L
L
D
V
S
A
H
V
S
D
E
F
L
V
K
Y
G
L
E
R
G
T
A
I
L
L
S
E
R
Q
K
G
I
F
D
D
I
E
K
M
P
N
V
R
Y
V
P
G
G
S
G
L
N
V
A
R
V
A
Q
W
M
-
Q
Q
A
Y
K
G
K
F
V
T
Y
V
G
C
I
A
D
D
R
Y
G
K
V
L
K
E
A
A
E
H
E
G
I
V
M
A
V
E
H
T
T
K
A
-
G
--
S
G
A
C
A
V
C
I
T
G
K
E
R
T
L
V
A
D
L
G
A
A
N
H
L
S
S
E
-
H
M
R
S
P
A
V
V
R
-
A
M
D
E
S
R
I
F
Y
F
S
G
F
T
L
T
V
D
V
N
H
V
L
Q
A
C
R
K
A
-
R
-
E
V
D
G
L
F
M
I
N
L
S
A
P
F
I
M
Q
F
F
S
A
Q
L
G
E
V
L
P
Y
T
D
I
I
V
A
N
R
H
E
A
K
E
F
A
N
M
M
K
W
--
D
T
--
D
C
V
E
E
I
A
---
R
R
A
V
S
E
V
P
Y
-----------
T
G
-
T
-
K
G
R
V
V
V
F
T
R
D
I
E
S
T
V
L
A
--
T
-----
K
--
D
G
--
V
E
T
V
P
V
P
Q
L
D
Q
---
D
K
V
I
D
M
N
G
A
G
D
A
F
M
G
G
F
L
S
A
Y
A
V
G
K
D
L
R
R
C
C
E
T
G
H
Y
T
A
Q
E
V
I
Q
R
D
----
P
E
K
P
S
F
-
42
HHSearch
73.90
34%
-94
- C1 -
2ABS
1
ADK_TOXGO
A:
[34-379]
-----------------------
R
-
V
F
A
I
G
N
P
I
L
D
L
V
A
E
V
P
S
S
F
L
D
E
F
F
L
K
R
G
D
A
T
L
A
T
P
E
Q
M
R
I
Y
S
T
L
D
-
Q
F
N
P
T
S
L
P
G
G
S
A
L
N
S
V
R
V
V
Q
K
L
L
R
K
P
-
G
S
--
A
G
Y
M
G
A
I
G
D
D
P
R
G
Q
V
L
K
E
L
C
D
K
E
G
L
A
T
R
F
M
V
A
P
G
Q
-
S
--
T
G
V
C
A
V
L
I
N
E
K
E
R
T
L
C
T
H
L
G
A
C
G
S
F
------
R
L
P
E
D
W
T
T
F
A
S
G
A
L
I
F
Y
A
T
A
Y
T
L
T
A
T
P
K
N
A
L
E
V
A
G
Y
A
-
H
G
I
P
N
A
I
F
T
L
N
L
S
A
P
F
C
V
E
L
Y
K
D
A
M
Q
S
L
L
L
H
T
N
I
L
F
G
N
E
E
E
F
A
H
L
A
K
V
H
N
L
--
V
-N
K
E
H
A
V
E
V
C
T
G
A
L
R
L
L
T
-
A
G
Q
-----------
N
T
-
S
-
A
T
K
L
V
V
M
T
R
G
H
N
P
V
I
A
A
--
E
Q
T
ADG
T
--
V
V
--
V
H
E
V
G
V
P
V
V
A
A
---
E
K
I
V
D
T
N
G
A
G
D
A
F
V
G
G
F
L
Y
A
L
S
Q
G
K
T
V
K
Q
C
I
M
C
G
N
A
C
A
Q
D
V
I
Q
H
V
G
F
S
L
S
F
T
----
2
PsiBlast_PDB
73.48
41%
-89
- C1 -
2XTB
1
?
A:
[15-345]
------------------------------
N
P
L
L
D
V
S
A
H
V
S
D
E
F
L
V
K
Y
G
L
E
R
G
T
A
I
L
L
S
E
R
Q
K
G
I
F
D
D
I
E
K
M
P
N
V
R
Y
V
P
G
G
S
G
L
N
V
A
R
V
A
Q
W
M
-
Q
Q
A
Y
K
G
K
F
V
T
Y
V
G
C
I
A
D
D
R
Y
G
K
V
L
K
E
A
A
E
H
E
G
I
V
M
A
V
E
H
T
T
K
A
-
G
--
S
G
A
C
A
V
C
I
T
G
K
E
R
T
L
V
A
D
L
G
A
A
N
H
L
S
S
E
-
H
M
R
S
P
A
V
V
R
-
A
M
D
E
S
R
I
F
Y
F
S
G
F
T
L
T
V
D
V
N
H
V
L
Q
A
C
R
K
A
-
R
-
E
V
D
G
L
F
M
I
N
L
S
A
P
F
I
M
Q
F
F
S
A
Q
L
G
E
V
L
P
Y
T
D
I
I
V
A
N
R
H
E
A
K
E
F
A
N
M
M
K
W
--
D
T
--
D
C
V
E
E
I
A
---
R
R
A
V
S
E
V
P
Y
-----------
T
G
-
T
-
K
G
R
V
V
V
F
T
R
D
I
E
S
T
V
L
A
--
T
-----
K
--
D
G
--
V
E
T
V
P
V
P
Q
L
D
Q
---
D
K
V
I
D
M
N
G
A
G
D
A
F
M
G
G
F
L
S
A
Y
A
V
G
K
D
L
R
R
C
C
E
T
G
H
Y
T
A
Q
E
V
I
Q
R
-------
K
P
S
F
-
11
PsiBlast_PDB
70.63
32%
-92
- C1 -
1LII
2
ADK_TOXGO
A:
[15-353]
-------------------------
V
F
A
I
G
N
P
I
L
D
L
V
A
E
V
P
S
S
F
L
D
E
F
F
L
K
R
G
D
A
T
L
A
T
P
E
Q
M
R
I
Y
S
T
L
-
D
Q
F
N
P
T
S
L
P
G
G
S
A
L
N
S
V
R
V
V
Q
K
L
L
R
K
P
G
S
A
--
G
-
Y
M
G
A
I
G
D
D
P
R
G
Q
V
L
K
E
L
C
D
K
E
G
L
A
T
R
F
M
V
A
P
G
Q
-
S
--
T
G
T
C
A
V
L
I
N
E
K
E
R
T
L
C
T
H
L
G
A
C
G
S
F
R
------
I
P
E
N
W
T
T
F
A
S
G
A
L
I
F
Y
A
T
A
Y
T
L
T
A
T
P
K
N
A
L
E
V
A
G
Y
A
H
G
-
I
P
N
A
I
F
T
L
N
L
S
A
P
F
C
V
E
L
Y
K
D
A
M
Q
S
L
L
L
H
T
N
I
L
F
G
N
E
E
E
F
A
H
L
A
K
V
H
N
L
--
V
A
--
K
V
A
L
S
V
A
---
N
K
E
H
A
V
E
----------------
G
-
A
T
K
L
V
V
M
T
R
G
H
N
P
V
I
A
A
E
Q
T
-----
A
--
D
G
--
T
V
V
V
H
E
V
G
V
P
V
VAA
E
K
I
V
D
T
N
G
A
G
D
A
F
V
G
G
F
L
Y
G
L
S
Q
G
K
T
V
K
Q
C
I
M
C
G
N
A
C
A
Q
D
V
I
Q
H
V
G
----------
19
PsiBlast_PDB
70.47
31%
-91
- C1 -
2AB8
2
ADK_TOXGO
A:
[30-373]
--------------------
T
G
P
M
R
V
F
A
I
G
N
P
I
L
D
L
V
A
E
V
P
S
S
F
L
D
E
F
F
L
K
R
G
D
A
T
L
A
T
P
E
Q
M
R
I
Y
S
T
L
-
D
Q
F
N
P
T
S
L
P
G
G
S
A
L
N
S
V
R
V
V
Q
K
L
L
R
K
P
G
S
A
--
G
-
Y
M
G
A
I
G
D
D
P
R
G
Q
V
L
K
E
L
C
D
K
E
G
L
A
T
R
F
M
V
A
P
G
Q
-
S
--
T
G
V
C
A
V
L
I
N
E
K
E
R
T
L
C
T
H
L
G
A
C
G
S
F
R
------
L
P
E
D
W
T
T
F
A
S
G
A
L
I
F
Y
A
T
A
Y
T
L
T
A
T
P
K
N
A
L
E
V
A
G
Y
A
H
G
-
I
P
N
A
I
F
T
L
N
L
S
A
P
F
C
V
E
L
Y
K
D
A
M
Q
S
L
L
L
H
T
N
I
L
F
G
N
E
E
E
F
A
H
L
A
K
V
H
N
L
VA
A
E
--
K
T
A
L
S
T
A
---
N
K
E
H
A
V
E
V
C
T
G
A
L
R
L
L
T
AGQ
N
T
-
S
-
A
T
K
L
V
V
M
T
R
G
H
N
P
V
I
A
A
E
Q
T
-----
A
--
D
G
--
T
V
V
V
H
E
V
G
V
P
V
VAA
E
K
I
V
D
T
N
G
A
G
D
A
F
V
G
G
F
L
Y
A
L
S
Q
G
K
T
V
K
Q
C
I
M
C
G
N
A
C
A
Q
D
V
I
Q
H
V
G
----------
12
PsiBlast_PDB
70.30
32%
-93
- C1 -
1LIJ
2
ADK_TOXGO
A:
[15-353]
-------------------------
V
F
A
I
G
N
P
I
L
D
L
V
A
E
V
P
S
S
F
L
D
E
F
F
L
K
R
G
D
A
T
L
A
T
P
E
Q
M
R
I
Y
S
T
L
-
D
Q
F
N
P
T
S
L
P
G
G
S
A
L
N
S
V
R
V
V
Q
K
L
L
R
K
P
G
S
A
--
G
-
Y
M
G
A
I
G
D
D
P
R
G
Q
V
L
K
E
L
C
D
K
E
G
L
A
T
R
F
M
V
A
P
G
Q
-
S
--
T
G
T
C
A
V
L
I
N
E
K
E
R
T
L
C
T
H
L
G
A
C
G
S
F
R
------
I
P
E
N
W
T
T
F
A
S
G
A
L
I
F
Y
A
T
A
Y
T
L
T
A
T
P
K
N
A
L
E
V
A
G
Y
A
H
G
-
I
P
N
A
I
F
T
L
N
L
S
A
P
F
C
V
E
L
Y
K
D
A
M
Q
S
L
L
L
H
T
N
I
L
F
G
N
E
E
E
F
A
H
L
A
K
V
H
N
L
--
V
---
K
V
A
L
S
V
A
---
N
K
E
H
A
V
---------------
T
-
G
-
A
T
K
L
V
V
M
T
R
G
H
N
P
V
I
A
A
E
Q
T
-----
A
--
D
G
--
T
V
V
V
H
E
V
G
V
P
V
VAA
E
K
I
V
D
T
N
G
A
G
D
A
F
V
G
G
F
L
Y
G
L
S
Q
G
K
T
V
K
Q
C
I
M
C
G
N
A
C
A
Q
D
V
I
Q
H
V
G
----------
16
PsiBlast_PDB
69.88
31%
-92
- C1 -
2A9Y
2
ADK_TOXGO
A:
[30-373]
--------------------
T
G
P
M
R
V
F
A
I
G
N
P
I
L
D
L
V
A
E
V
P
S
S
F
L
D
E
F
F
L
K
R
G
D
A
T
L
A
T
P
E
Q
M
R
I
Y
S
T
L
-
D
Q
F
N
P
T
S
L
P
G
G
S
A
L
N
S
V
R
V
V
Q
K
L
L
R
K
P
G
S
A
--
G
-
Y
M
G
A
I
G
D
D
P
R
G
Q
V
L
K
E
L
C
D
K
E
G
L
A
T
R
F
M
V
A
P
G
Q
-
S
--
T
G
V
C
A
V
L
I
N
E
K
E
R
T
L
C
T
H
L
G
A
C
G
S
F
R
------
L
P
E
D
W
T
T
F
A
S
G
A
L
I
F
Y
A
T
A
Y
T
L
T
A
T
P
K
N
A
L
E
V
A
G
Y
A
H
G
-
I
P
N
A
I
F
T
L
N
L
S
A
P
F
C
V
E
L
Y
K
D
A
M
Q
S
L
L
L
H
T
N
I
L
F
G
N
E
E
E
F
A
H
L
A
K
V
H
N
L
VA
A
E
--
K
T
A
L
S
T
A
---
N
K
E
H
A
V
E
V
C
T
G
A
L
R
L
L
T
A
GQ
N
T
-
S
-
A
T
K
L
V
V
M
T
R
G
H
N
P
V
I
A
A
E
Q
T
-----
A
--
D
G
--
T
V
V
V
H
E
V
G
V
P
V
VAA
E
K
I
V
D
T
N
G
A
G
D
A
F
V
G
G
F
L
Y
A
L
S
Q
G
K
T
V
K
Q
C
I
M
C
G
N
A
C
A
Q
D
V
I
Q
H
V
G
----------
17
PsiBlast_PDB
69.85
31%
-92
- C1 -
2A9Z
2
ADK_TOXGO
A:
[30-373]
--------------------
T
G
P
M
R
V
F
A
I
G
N
P
I
L
D
L
V
A
E
V
P
S
S
F
L
D
E
F
F
L
K
R
G
D
A
T
L
A
T
P
E
Q
M
R
I
Y
S
T
L
-
D
Q
F
N
P
T
S
L
P
G
G
S
A
L
N
S
V
R
V
V
Q
K
L
L
R
K
P
G
S
A
--
G
-
Y
M
G
A
I
G
D
D
P
R
G
Q
V
L
K
E
L
C
D
K
E
G
L
A
T
R
F
M
V
A
P
G
Q
-
S
--
T
G
V
C
A
V
L
I
N
E
K
E
R
T
L
C
T
H
L
G
A
C
G
S
F
R
------
L
P
E
D
W
T
T
F
A
S
G
A
L
I
F
Y
A
T
A
Y
T
L
T
A
T
P
K
N
A
L
E
V
A
G
Y
A
H
G
-
I
P
N
A
I
F
T
L
N
L
S
A
P
F
C
V
E
L
Y
K
D
A
M
Q
S
L
L
L
H
T
N
I
L
F
G
N
E
E
E
F
A
H
L
A
K
V
H
N
L
VA
A
E
--
K
T
A
L
S
T
A
---
N
K
E
H
A
V
E
V
C
T
G
A
L
R
L
L
T
AGQ
N
T
-
S
-
A
T
K
L
V
V
M
T
R
G
H
N
P
V
I
A
A
E
Q
T
-----
A
--
D
G
--
T
V
V
V
H
E
V
G
V
P
V
VAA
E
K
I
V
D
T
N
G
A
G
D
A
F
V
G
G
F
L
Y
A
L
S
Q
G
K
T
V
K
Q
C
I
M
C
G
N
A
C
A
Q
D
V
I
Q
H
V
G
----------
13
PsiBlast_PDB
69.80
32%
-92
- C1 -
1LIK
2
ADK_TOXGO
A:
[15-353]
-------------------------
V
F
A
I
G
N
P
I
L
D
L
V
A
E
V
P
S
S
F
L
D
E
F
F
L
K
R
G
D
A
T
L
A
T
P
E
Q
M
R
I
Y
S
T
L
-
D
Q
F
N
P
T
S
L
P
G
G
S
A
L
N
S
V
R
V
V
Q
K
L
L
R
K
P
G
S
A
--
G
-
Y
M
G
A
I
G
D
D
P
R
G
Q
V
L
K
E
L
C
D
K
E
G
L
A
T
R
F
M
V
A
P
G
Q
-
S
--
T
G
T
C
A
V
L
I
N
E
K
E
R
T
L
C
T
H
L
G
A
C
G
S
F
R
------
I
P
E
N
W
T
T
F
A
S
G
A
L
I
F
Y
A
T
A
Y
T
L
T
A
T
P
K
N
A
L
E
V
A
G
Y
A
H
G
-
I
P
N
A
I
F
T
L
N
L
S
A
P
F
C
V
E
L
Y
K
D
A
M
Q
S
L
L
L
H
T
N
I
L
F
G
N
E
E
E
F
A
H
L
A
K
V
H
N
L
--
V
---
K
V
A
L
S
V
A
---
N
K
E
H
A
V
---------------
T
-
G
-
A
T
K
L
V
V
M
T
R
G
H
N
P
V
I
A
A
E
Q
T
-----
A
--
D
G
--
T
V
V
V
H
E
V
G
V
P
V
VAA
E
K
I
V
D
T
N
G
A
G
D
A
F
V
G
G
F
L
Y
G
L
S
Q
G
K
T
V
K
Q
C
I
M
C
G
N
A
C
A
Q
D
V
I
Q
H
V
G
----------
18
PsiBlast_PDB
69.49
31%
-91
- C1 -
2AA0
2
ADK_TOXGO
A:
[30-373]
--------------------
T
G
P
M
R
V
F
A
I
G
N
P
I
L
D
L
V
A
E
V
P
S
S
F
L
D
E
F
F
L
K
R
G
D
A
T
L
A
T
P
E
Q
M
R
I
Y
S
T
L
-
D
Q
F
N
P
T
S
L
P
G
G
S
A
L
N
S
V
R
V
V
Q
K
L
L
R
K
P
G
S
A
--
G
-
Y
M
G
A
I
G
D
D
P
R
G
Q
V
L
K
E
L
C
D
K
E
G
L
A
T
R
F
M
V
A
P
G
Q
-
S
--
T
G
V
C
A
V
L
I
N
E
K
E
R
T
L
C
T
H
L
G
A
C
G
S
F
R
------
L
P
E
D
W
T
T
F
A
S
G
A
L
I
F
Y
A
T
A
Y
T
L
T
A
T
P
K
N
A
L
E
V
A
G
Y
A
H
G
-
I
P
N
A
I
F
T
L
N
L
S
A
P
F
C
V
E
L
Y
K
D
A
M
Q
S
L
L
L
H
T
N
I
L
F
G
N
E
E
E
F
A
H
L
A
K
V
H
N
L
VA
A
E
--
K
T
A
L
S
T
A
---
N
K
E
H
A
V
E
V
C
T
G
A
L
R
L
L
T
AGQ
N
T
-
S
-
A
T
K
L
V
V
M
T
R
G
H
N
P
V
I
A
A
E
Q
T
-----
A
--
D
G
--
T
V
V
V
H
E
V
G
V
P
V
VAA
E
K
I
V
D
T
N
G
A
G
D
A
F
V
G
G
F
L
Y
A
L
S
Q
G
K
T
V
K
Q
C
I
M
C
G
N
A
C
A
Q
D
V
I
Q
H
V
G
----------
20
PsiBlast_PDB
66.36
32%
-96
- C1 -
1DGM
2
ADK_TOXGO
A:
[15-353]
-------------------------
V
F
A
I
G
N
P
I
L
D
L
V
A
E
V
P
S
S
F
L
D
E
F
F
L
K
R
G
D
A
T
L
A
T
P
E
Q
M
R
I
Y
S
T
L
-
D
Q
F
N
P
T
S
L
P
G
G
S
A
L
N
S
V
R
V
V
Q
K
L
L
R
K
P
G
S
A
--
G
-
Y
M
G
A
I
G
D
D
P
R
G
Q
V
L
K
E
L
C
D
K
E
G
L
A
T
R
F
M
V
A
P
G
Q
-
S
--
T
G
V
C
A
V
L
I
N
E
K
E
R
T
L
C
T
H
L
G
A
C
G
S
F
R
------
L
P
E
D
W
T
T
F
A
S
G
A
L
I
F
Y
A
T
A
Y
T
L
T
A
T
P
K
N
A
F
E
V
A
G
Y
A
H
G
-
I
P
N
A
I
F
T
L
N
L
S
A
P
F
C
V
E
L
Y
K
D
A
M
Q
S
L
L
L
H
T
N
I
L
F
G
N
E
E
E
F
A
H
L
A
K
V
H
N
L
V----------
T
A
---
N
K
E
H
A
V
E
V
C
T
G
A
L
R
L
L
T
A
GQ
N
T
-
G
-
A
T
K
L
V
V
M
T
R
G
H
N
P
V
I
A
A
E
Q
T
-----
A
--
D
G
--
T
V
V
V
H
E
V
G
V
P
V
V
AA
E
K
I
V
D
T
N
G
A
G
D
A
F
V
G
G
F
L
Y
A
L
S
Q
G
K
T
V
K
Q
C
I
M
C
G
N
A
C
A
Q
D
V
I
Q
H
V
G
----------