@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 : O10H4_HUMAN: (2016-01-11 )
MPSQNYSIISEFNLFGFSAFPQHLLPILFLLYLLMFLFTLLGNLLIMATIWIEHRLHTPMYLFLCTLSVSEILFTVAITPRMLADLLSTHHSITFVACANQMFFSFMFGFTHSFLLLVMGYDRYVAICHPLRYNVLMSPRDCAHLVACTWAGGSVMGMMVTTIVFHLTFCGSNVIHHFFCHVLSLLKLACENKTSSVIMGVMLVCVTALIGCLFLIILSYVFIVAAILRIPSAEGRHKTFSTCVSHLTVVVTHYSFASFIYLKPKGLHSMYSDALMATTYTVFTPFLSPIIFSLRNKELKNAINKNFYRKFCPPSS
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....------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------------------------------------------------------------MPSQN
Y
S
I
I
S
E
FNLFGF
S
A
F
P
Q
H
L
L
P
I
L
F
L
L
------------
Y
L
L
M
F
L
F
T
L
L
G
N
L
L
I
M
A
T
I
W
I
EHRLHT
P
M
Y
L
F
L
--
C
T
-------
L
S
V
S
E
I
L
F
T
V
AI-
T
P
R
M
L
A
D
--
L
L
-STH-----H
S
I
T
F
V
A
C
A
N
Q
M
F
F
S
F
M
F
G
F
T
H
S
F
L
L
L
V
MGYDR
Y
V
A
I
CHP
L
R
Y-NVL---MSPRDC
A
H
L
V
A
C
TWAG
G
S
V
M
G
M
M
V
T
T
I
--------
V
F
H
L
T
FC
G
S
N
V
I
H
H
--
F
F
C
H
V
L
---------
S
L
L
K
L
A
C------E---------NK
T
-
S
S
V
I
M
G
V
M
L
V
C
V
T
A
L
I
G
C
L
F
L
I
I
L
S
Y
V
F
I
V
A
A
I
L
RIPSA--------------------E--------GRH
K
T
F
S
T
C
V
----
S
H
L
T
V
V
VTHYS
F
A
S
F
I
Y
LKPK----
G
L
H
-----
S
---
M
-
Y
-
S
D
-----------
A
-
L
--
M
A
T
T
--
Y
T
--
V
F
T
P
F
L
S
P
I
I
F
S
L
R
N
K
E
L
K
N
A
I
N
K
N
F
Y
R
KFCPPSS------------------
41
Fugue
90.97
15%
-143
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
---------------------------------------------------------MN
G
T
E
G
PNFYVP
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
M
L
A
A
Y
------------
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
--
L
N
-------
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
--
S
L
-
H
G
Y
-----
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
--
N
F
R
---
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
----------------------
A
P
P
L
V
G
--
W
S
R
Y
I
P
---------
E
G
M
Q
C
S
C
------
G
I
DYYTPHEE
T
N
N
-
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
S
A
T
T
--------------------
Q
--------
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
----
G
S
D
-----
F
---
G
-
P
-
I
F
-----------
M
-
T
--
I
P
A
F
--
F
A
--
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
S
T
T
VSKTETS
Q
V
A
P
A------
42
Fugue
87.71
16%
-149
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
---------------------------------------------------------MN
G
T
E
G
PNFYVP
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
M
L
A
A
Y
------------
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
--
L
N
-------
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
--
S
L
-
H
G
Y
-----
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
--
N
F
R
---
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
----------------------
P
P
L
V
G
--
W
S
R
Y
I
P
---------
E
G
M
Q
C
S
C
G
I
DYYT
P
---------
H
E
E
-
T
N
N
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
Q
--------------------
Q
--------
Q
E
S
A
T
T
Q
K
A
E
----
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
----
A
G
V
-----
A
---
F
-
Y
-
I
F
T
H
QGSDFGPIF
M
-
T
--
I
P
A
F
--
F
A
--
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
DEA
S
T
T
V
S
K
TETSQVAPA
34
HHSearch
87.51
16%
-167
- C4 -
2Z73
5
OPSD_TODPA
A:
[33-333]
--------------------------------------------------------------------------------------------
V
Y
Y
S
L
G
I
F
------------
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
--
I
N
-------
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
--
C
F
-
L
K
K
-----
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
-
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
G
--------
W
G
A
Y
---
T
L
-
E
G
V
L
--
C
N
C
S
F
D
---------
Y
I
S
--------------------
R
-
D
-
S
T
T
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
--------
A
E
M
R
L
A
K
I
S
I
----
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
V
A
L
L
A
Q
----
F
G
P
L----
E
---
W
-
V
-
T
P
-----------
Y
-
A
--
A
Q
L
P
V
M
F
A
--
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
------------------
32
HHSearch
80.55
15%
-156
* C4 *
2KS9
1
NK1R_HUMAN
A:
[34-324]
-----------------------------------------------------------------------------------------------
L
W
A
A
A
------------
Y
T
V
I
V
V
T
S
V
V
G
N
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
--
V
N
-------
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
N
F
T
Y
--
A
V
-
H
N
E
-----
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
-
R
L
-----
S
A
T
A
T
K
V
V
I
C
V
I
W
V
L
A
L
L
L
A
F
P
Q
G
Y
----------
Y
S
-
T
T
-
E
-
T
M
P
S
R
--
V
V
C
M
I
E
---------
W
P
E
H
P
------------------
N
-
K
-
I
Y
E
K
V
Y
H
I
C
V
T
V
L
I
Y
F
L
P
L
L
V
I
G
Y
A
Y
T
V
V
G
I
T
L
W
A
S
E
I
P
GDSSDRYH
E
Q
V
---------
S
--------
A
K
R
K
V
V
K
M
M
I
----
V
V
V
C
T
F
A
I
C
W
L
P
F
H
I
F
F
L
L
P
Y
----
I
N
P
-----
D
LYL
K
-
K
F
I
Q
-----------
Q
-
V
--
Y
L
A
I
--
M
W
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
A
F
R
C
C
P
F
I
S
A
G
------------------
30
HHSearch
78.30
14%
-157
- C4 -
1U19
14
OPSD_BOVIN
A:
[38-326]
-------------------------------------------------------------------------------------------
W
Q
F
S
M
L
A
A
Y
------------
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
--
L
N
-------
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
--
S
L
-
H
G
Y
-----
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
-
F
R
----
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
--------
W
S
R
--
Y
-
I
P
-
E
G
M
Q
--
C
S
C
G
I
D
---------
Y
Y
T
---
P
------
H
---------
E
-
E
-
T
N
N
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
Q
--------------------
Q
QESA
T
T
Q
K
A
E
K
E
V
T
R
M
V
I
----
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
----
T
H
Q
-----
G
---
S
-
D
-
F
G
-----------
P
I
F
M
T
I
P
A
F
--
F
A
--
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
------------------
29
HHSearch
75.16
16%
-154
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[38-322]
--------------------------------------------------------------------------------------------
N
K
Y
V
V
I
I
A
------------
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
--
L
N
-------
L
A
L
A
D
L
L
F
A
L
-
T
-
L
P
I
W
A
A
S
--
K
V
--
N
G
-----
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
-
L
T
----
Q
K
R
H
L
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
F
--------
R
-
Q
-
A
Y
-
H
P
-
N
N
S
S
--
P
V
C
Y
E
V
---------
L
G
-----------
N
---------
D
T
A
-
K
W
R
M
V
L
R
I
L
P
H
T
F
G
F
I
V
P
L
F
V
M
L
F
C
Y
G
F
T
L
R
T
L
F
K
A
H
M
---------------------
G
--------
Q
K
H
R
A
M
R
V
I
F
----
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
L
L
A
D
T
L
M
RT
Q
V
I
QE
S
C
E
R
---
R
N
N
-
I
G
-----------
R
-
A
--
L
D
A
T
E
I
L
G
--
F
L
H
S
C
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
H
G
F
L
K
I
L
A
M
H
G
-----------------------
46
Fugue
74.74
16%
-166
- C3 -
4MB0
-
?
A:
[9-261]
----------------------------------------------------------------------------------------------
P
R
Y
W
S
L
------------
Y
Y
R
E
K
I
I
E
G
M
E
K
G
M
T
A
K
A
G
L
I
A
H
G
R
G
E
A
F
D
Y
L
I
GE
R
T
-------
I
E
P
A
E
R
A
M
R
A
A
V
-
A
K
L
L
L
A
E
N
P
V
V
-
S
V
N
-----
G
N
V
A
A
L
V
P
K
E
T
I
E
L
A
R
A
L
N
A
K
L
E
I
N
L
F
Y
R
T
E
D
R
V
K
A
I
A
E
E
L
R
K
-
Y
------
D
P
E
I
------------
E
L
L
G
I
N
P
T
K
R
--------
I
P
G
L
E
H
E
R
G
K
V
D
E
N
GI
W
K
A
D
V
V
---------
V
V
P
L
E
D
G
------
D
---------
R
T
E
-
A
L
V
R
M
G
K
F
V
I
T
I
D
-------
L
N
P
L
S
R
S
A
R
M
A
D
I
T
I
V
D
N
I
--------------------
V
--------
R
A
Y
P
R
M
T
E
L
A
----
R
E
M
K
----
D
Y
S
R
G
E
L
I
R
I
I
E
E
------------------
Y
-
D
----------------------------
N
G
K
T
L
N
D
V
L
L
H
I
R
D
R
L
T
K
L
A
E
G
G
I
W
R
K
K
Q
L
D
---------------------
47
Fugue
73.50
12%
-174
- C1 -
1VH4
-
SUFD_ECOLI
A:
[9-421]
N
A
L
Q
Q
W
H
H
L
F
E
AKRS
P
Q
A
Q
Q
H
L
Q
Q
L
L
R
T
GLPTRKHENWKYTPL
E
G
L
I
N
S
Q
F
V
S
I
A
G
E
I
S
P
Q
Q
R
D
A
L
ALT
L
D
S
V
R
L
V
F
V
D
G
R
Y
V
P
A
L
S
D
A
T
E
G
S
G
Y
E
V
S
I
N
DDRQGLPDAIQA
E
V
F
L
H
L
T
E
S
L
A
Q
S
V
T
H
I
A
V
K
R
G
Q
R
P
A
K
P
L
L
L
M
H
--
I
T
Q
G
V
A
G
E
E
V
N
T
A
H
Y
R
H
H
L
D
L
-
A
E
G
A
E
A
T
--
V
I
-
E
H
F
-----
V
S
L
N
D
A
R
H
F
T
G
A
R
F
T
I
N
V
A
-
A
N
A
H
L
Q
H
I
K
L
A
F
E
N
P
L
S
H
H
F
A
H
N
-
D
L
L
---
L
A
E
D
A
T
A
F
S
H
S
F
L
L
G
G
A
V
L
R
H
N
T
S
T
Q
L
NGEN
S
T
L
R
I
N
S
L
A
M
P
V
K
N
E
V
C
D
--
T
R
T
W
L
E
HNKGF
C
N
S
R
Q
L
H
K
T
I
V
------
S
---------
D
K
G
-
R
A
V
F
N
G
L
I
N
V
A
Q
H
A
I
K
T
D
G
Q
M
T
N
N
N
L
L
M
G
K
L
A
E
V
D
T
K
P
Q
--------------------
L
--------
E
I
Y
A
D
D
V
K
C
S
----
H
G
A
T
V
G
--
R
I
D
D
E
Q
I
F
Y
L
R
S
R
----
G
I
N
----------------------------
Q
--
Q
D
A
Q
--
Q
M
--
I
I
Y
A
F
A
A
E
L
T
E
A
L
R
D
E
G
L
K
Q
Q
V
L
A
R
I
G
Q
R
L
P
G
G
--------------------
27
HHSearch
73.37
21%
-190
- C4 -
3EML
8
ENLYS_BPT4
A:
[21-221]
---------------------------------------------------------------------------------------------
S
S
V
Y
I
T
V
------------
E
L
A
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
--
V
S
-------
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
A
I
T
I
--
S
T
---
G
-----
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
-
N
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
--------
W
N
N
C
G
Q
-------
S
--
Q
G
C
G
E
G
---------
Q
---
V
A
C
------
L
---------
F
E
D
V
V
P
M
N
Y
M
V
Y
F
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
N
I
--------------------
F
--------
E
M
L
R
I
D
E
G
L
R
----
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
----
S
P
S
-----
L
---
N
-
A
-
A
K
-----------
S
-
E
--
L
D
K
A
--
I
G
--
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
------------------
43
Fugue
68.50
11%
-155
- C2 -
2ZIV
-
MUS81_DANRE
A:
[311-612]
------------------------------------------------------------------G
W
H
L
S
P
G
S
Y
D
I
V
L
C
V
D
-----
L
C
E
T
T
G
K
Q
E
L
V
K
E
------------
L
Q
R
N
S
V
T
F
D
V
R
K
L
N
V
G
D
F
L
W
V
A
R
E
R
V
T
P
V
P
G
Q
L
--
R
P
-------
P
V
G
K
E
L
V
L
D
Y
I
I
-
E
R
K
R
M
D
D
--
L
C
-
G
S
I
-----
I
D
G
R
F
R
E
Q
K
F
R
L
K
R
C
G
L
----
R
K
P
I
Y
L
V
E
E
C
G
S
A
A
A
H
L
S
I
P
E
S
-
T
L
Q
---
Q
A
I
V
N
T
Q
V
V
----------
D
G
F
F
V
K
R
V
--------
Q
------
D
A
K
E
S
A
A
--
Y
L
T
I
M
T
---------
R
Y
L
Q
K
L
Y
------
Q
---------
N
C
T
-
L
F
C
R
A
N
L
S
C
S
L
M
A
----------
F
T
E
F
N
Y
G
A
I
K
N
K
C
Q
T
V
--------------------
R
--------
E
V
F
A
R
Q
L
M
Q
I
----
S
G
V
S
-----
G
D
K
A
A
A
V
L
E
H
Y
S
----
T
V
S
-----
S
---
L
-
L
-
Q
A
-----------
Y
-
D
--
K
C
S
S
--
E
T
--
E
K
E
K
L
L
S
S
V
K
Y
G
K
L
K
R
N
L
G
P
A
L
S
R
T
I
Y
Q
L
Y
C
T
R
G
P
LS----------------
33
HHSearch
64.83
20%
-184
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[63-249]
---------------------------------------------------------------------------------------------
I
K
L
T
S
V
V
------------
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
--
G
N
-------
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
L
L
L
S
--
G
A
--
T
T
-----
Y
K
L
T
P
A
Q
W
F
L
R
E
G
S
M
F
V
A
L
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
------------
N
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
L
G
G
L
P
I
M
G
--------
W
N
C
-------
I
S
A
L
--
S
S
C
S
T
V
---------
L
------------------------
P
-
L
Y
H
K
H
Y
I
L
-
F
C
T
T
V
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
T
R
N
I
F
--------------------
E
--------
M
L
R
I
D
E
G
L
R
L
----
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
----
P
S
L
-----
N
---
A
-
A
-
K
S
-----------
E
-
L
--
D
K
A
I
--
G
R
--
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
------------------
23
HHSearch
64.63
19%
-179
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-200]
-----------------------------------------------------------------------------------------------
P
L
V
V
V
------------
L
S
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
--
V
S
-------
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
M
N
I
L
Y
--
L
L
-
M
S
K
-----
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
-
L
K
Y
---
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
I
P
I
L
G
----------
W
N
-
H
------
R
R
E
--
D
K
C
E
T
D
----------------------------------
F
-
Y
D
V
T
W
F
K
V
M
T
A
I
I
N
F
Y
L
P
T
L
L
M
L
W
F
Y
A
K
I
Y
K
A
V
R
Q
H
C
N
I
--------------------
F
--------
E
M
L
R
I
D
E
G
L
R
----
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
----
S
P
S
-----
L
---
N
-
A
-
A
K
-----------
S
-
E
--
L
D
K
A
--
I
G
--
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
------------------
21
PsiBlast_CBE
64.27
32%
-142
- C4 -
4EA3
3
OPRX_HUMAN
B:
[131-260]
---------------------------------------------------------------------------------------------------
L
------------
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
--
F
N
-------
L
A
L
A
D
T
L
V
L
L
T
L
--
P
F
Q
G
T
D
--
I
L
-
L
G
F
-----
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
I
R
A
L
D
V
R
---
T
S
S
K
A
Q
A
V
N
V
A
-
I
W
A
L
A
S
V
V
G
V
P
V
A
I
M
--------
G
S
A
E
I
E
C
L
V
E
I
P
T
P
--
Q
D
Y
W
G
P
---------
V
F
A
I
C
I
F
------
L
---------
F
S
F
-
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
E
K
D
R
N
L
R
R
I
T
R
L
V
L
V
V
V
A
V
F
V
--------------------
G
--------
C
W
T
P
V
Q
V
F
V
L
----
A
Q
G
L
G
V
Q
P
S
S
E
T
A
V
A
I
L
R
F
C
T
----
A
L
G
-----
Y
---
V
-
N
-
S
C
-----------
L
-
N
--
P
I
L
Y
--
A
F
--
L
D
E
N
F
K
A
C
F
R
K
F
-----------------------------------------
22
HHSearch
64.22
18%
-165
- C4 -
3UON
2
ACM2_HUMAN (first)
A:
[25-215]
-----------------------------------------------------------------------------------------------
F
I
V
L
V
------------
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
F
L
--
F
S
-------
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
L
Y
T
L
Y
--
T
V
-
I
G
Y
-----
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
-
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
F
--------
W
Q
F
-
I
-
V
G
V
R
T
V
E
D
--
G
E
-------------------
C
------
Y
---------
I
Q
F
-
F
S
N
A
A
V
T
F
G
T
A
I
A
A
F
Y
L
P
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
K
S
R
I
N
I
--------------------
F
--------
E
M
L
R
I
D
E
G
L
R
----
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
----
S
P
S
-----
L
---
N
-
A
-
A
K
-----------
S
-
E
--
L
D
K
A
--
I
G
--
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
------------------
19
PsiBlast_PDB
63.35
26%
-160
- C4 -
4DKL
8
ENLYS_BPT4 (first)
A:
[23-151]
---------------------------------------------------------------------------------------------------
L
------------
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
V
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
--
F
N
-------
L
A
L
A
D
A
L
A
T
S
T
L
--
P
F
Q
S
V
N
--
Y
L
-
M
G
T
-----
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
-
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
L
P
V
M
F
M
--------
A
T
T
K
Y
R
Q
G
S
I
D
C
T
L
--
T
F
S
H
P
T
---------
W
Y
W
E
N
L
L
------
K
---------
I
C
V
-
F
I
F
A
F
I
M
P
V
L
I
I
T
V
C
Y
G
L
M
I
L
R
L
K
S
V
R
N
I
F
E
M
L
R
I
D
E
G
L
--------------------
R
--------
L
K
I
Y
K
N
T
E
G
Y
----
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
----
L
D
K
-----
A
---
I
-
G
-
R
N
-----------
T
-
N
--
G
V
I
T
--
K
D
--
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
------------------
6
PsiBlast_PDB
63.21
32%
-148
- C4 -
4EA3
3
C562_ECOLX (first)
A:
[131-260]
---------------------------------------------------------------------------------------------------
L
------------
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
--
F
N
-------
L
A
L
A
D
T
L
V
L
L
T
L
--
P
F
Q
G
T
D
--
I
L
-
L
G
F
-----
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
-
I
W
A
L
A
S
V
V
G
V
P
V
A
I
M
--------
G
S
A
Q
V
E
D
E
E
I
E
C
L
V
--
E
I
P
T
P
Q
---------
D
Y
W
G
P
V
F
------
A
---------
I
C
I
-
F
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
R
G
V
R
L
L
S
G
S
R
E
K
D
R
N
L
--------------------
R
--------
R
I
T
R
L
V
L
V
V
V
----
A
V
F
V
G
C
W
T
P
V
Q
V
F
V
L
A
Q
G
L
G
V
----
Q
P
S
-----
S
---
E
-
T
-
A
V
-----------
A
-
I
--
L
R
F
C
--
T
A
--
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
A
C
F
R
----------------------------
28
HHSearch
63.04
18%
-175
- C4 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-226]
------------------------------------------------------------------------------------------------
Y
A
L
S
------------
Y
C
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
--
V
S
-------
L
A
V
A
D
L
L
V
A
T
L
V
-
M
P
W
V
V
Y
L
--
E
V
T
G
G
V
-----
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
-
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
L
L
F
G
---------
F
N
--
T
----
T
G
D
P
--
T
V
C
-------------------------
S
---------
I
-
S
-
N
-
P
D
-
F
V
I
Y
S
S
V
V
S
F
Y
L
P
F
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
K
Q
R
R
R
K
--------------------
N
--------
I
F
E
M
L
R
I
D
E
G
----
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
----
T
K
S
-----
P
---
S
-
L
-
N
A
-----------
A
-
K
--
S
E
L
D
--
K
A
--
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
------------------
25
HHSearch
62.84
16%
-163
- C4 -
2RH1
6
ADRB2_HUMAN (first)
A:
[42-236]
-----------------------------------------------------------------------------------------------
G
M
G
I
V
------------
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
--
T
S
-------
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
--
I
L
-
M
K
M
-----
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
-
Q
S
L
---
L
T
K
N
K
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
--------
H
W
Y
R
----
A
T
H
Q
E
A
--
I
N
C
Y
A
-------------
E
E
T
C
------
C
---------
D
-
F
-
F
T
N
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
F
Q
E
A
K
R
Q
L
N
I
--------------------
F
--------
E
M
L
R
I
D
E
G
L
R
----
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
----
S
P
S
-----
L
---
N
-
A
-
A
K
-----------
S
-
E
--
L
D
K
A
--
I
G
--
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
------------------
26
HHSearch
62.62
16%
-175
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-239]
-------------------------------------------------------------------------------------------
F
N
K
I
F
L
P
T
I
------------
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
--
L
H
-------
L
S
V
A
D
L
L
F
V
-
I
T
-
L
P
F
W
A
V
D
--
A
V
--
A
N
-----
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
-
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
--------
A
N
V
-
S
----
E
A
D
D
R
--
Y
I
C
D
R
F
---------
Y
P
---------------------
N
-
D
-
L
W
V
V
V
F
Q
F
Q
H
I
M
V
G
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
S
H
S
G
S
N
--------------------
I
--------
F
E
M
L
R
I
D
E
G
L
----
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
----
K
S
P
-----
S
---
L
-
N
-
A
A
-----------
K
-
S
--
E
L
D
K
--
A
I
--
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
------------------
4
PsiBlast_PDB
62.55
30%
-186
- C4 -
3UZA
1
AA2AR_HUMAN
A:
[14-129]
-----------------------------------------------------------------------------------------------------------------
L
A
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
--
V
S
-------
L
A
A
A
D
I
L
V
G
V
L
A
-
I
P
--
F
A
I
--
T
I
-
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
-----
F
V
L
V
L
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
-
N
G
L
---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
--------
W
N
N
C
G
Q
P
G
C
G
E
G
Q
V
--
A
C
L
F
E
D
---------
V
V
P
M
N
Y
M
------
V
---------
Y
F
N
-
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
L
P
G
E
R
--------------------
A
--------
R
S
T
L
Q
K
E
V
H
A
----
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
----
N
C
F
-----
T
---
F
-
F
-
C
P
-----------
D
-
C
--
S
H
A
P
--
L
W
--
L
M
Y
L
A
I
V
L
A
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
------------------