@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 : O52A4_HUMAN: (2016-01-12 )
MALPITNGTLFMPFVLTFIGIPGFESVQCWIGIPFCATYVIALIGNSLLLIIIKSEPSLHEPMYIFLATLGATDISLSTSIVPKMLDIFWFHLPEIYFDACLFQMWLIHTFQGIESGVLLAMALDRCVAICYPLRRAIVFTRQLVTYIVVGVTLRPAILVIPCLLLIKCHLKLYRTKLIYHTYCERVALVKLATEDVYINKVYGILGAFIVGGLDFIFITLSYIQIFITVFHLPLKEARLKVFNTCIPHIYVFFQFYLLAFFFIFYSQIWILYPIICTYHLVQSLPTGPTIPQPLYLWVKDQTH
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...-----------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------------M
A
L
PITNGT
L
F
M
P
F
V
L
T
F
IGIP-GFES
V
Q
C
W
IG
I
P
F
C
A
T
Y
V
I
A
L
I---GN---
S
L
L
L
I
I
I---KSEPSLH--E
P
-----
M
Y
I
F
L
A
TLGATDIS
L
S
T
S
I
---
V
P
-
K
M
L
D
I
F
W
-
F
H
L
P
E
I
Y
F
D
A
-
C
L
F
Q
M
W
L
I
H
T
F
Q
G
I
ES
G
V
--
L
L
A
-
M
A
L
-
D
R
C
V
A
I
C
Y
P
-----
L
R
R
A
I
V
---
F
T
R
Q
L
-------
V
T
Y
I
V
VGVT--LR
P
A
I
------------------
L
----
V
I
P
C
L
L
L
I
K
C
H
L
K
L
Y
R
T
K
L
I
-
Y
H
T
Y
C
---
E
R
V
A
L
V
K
L-ATE
D
V
Y
I
N
K
V
Y
G
I
L
G
A
F
I
-V---------------------------G
G
L
D
F
I
F
I
T
---------
L
S
-----
Y
I
Q
I
F
I
T
V
F
HL
P
L
--------------------
K
E
A
R
L
K
V
----------
F
N
T
C
I
P
H
I
Y
V
F
F
Q
F
Y
L
---
L
A
F
F
F
I
F
Y
----
S
---
Q
I
W
I
------------
L
Y
-
P
---------
I
I
C
--------
T
Y
---
H
L
V
Q
S-LPTGPTIP
Q
P
L
Y
L
----
W
VK-DQTH-----------------------------
41
Fugue
82.85
17%
-131
- C8 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
---------------------------
S
F
K
C
A
L
T
K
T
G
F
------
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
---
G
N
---
S
V
A
I
W
M
F
---
V
F
H
M
K
P
W
--
S
G
-----
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
T
L
----
P
-
A
L
I
F
Y
Y
F
-
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
--
L
T
C
-
I
S
A
-
H
R
Y
S
G
V
V
Y
P
KSL
G
R
L
K
K
K
N
A
---
I
C
I
S
V
-------
L
V
W
L
I
V
V
V
A
--
I
S
P
I
L
------------------
F
Y
S
G
T
G
V
R
K
N
K
T
I
T
C
Y
D
T
T
S
D
E
Y
L
R
S
Y
F
I
Y
S
---
M
C
T
T
V
A
M
F
-
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
-
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVN
P
G
T
D
F
K
D
I
V
---------
C
P
-----
L
C
G
V
G
K
D
Q
F
E
E
V
E
--------------------
E
P
L
R
R
K
S
----------
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
K
T
M
N
L
R
----
A
---
R
L
D
F
------------
Q
T
-
P
---------
A
M
C
A
F
N
D
R
V
Y
A
T
Y
---
Q
V
T
R
G
-
L
A
S
L
N
S
C
V
N
P
I
L
Y
----
F
L
A
-
G
D
T
F
RRR--------------------------
27
HHSearch
79.17
15%
-149
- C8 -
2Z73
5
OPSD_TODPA
A:
[31-324]
------------------------------------------
D
A
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
LE----------
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
-----------------------------
28
HHSearch
78.88
20%
-150
- C8 -
3EML
8
ENLYS_BPT4
A:
[21-222]
---------------------------------------------
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
-----------------------------
30
HHSearch
77.86
15%
-139
* C8 *
2KS9
1
NK1R_HUMAN
A:
[32-314]
---------------------------------------------
I
V
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
PGDSSDRYH
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
DLYLK-------
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
-----------------------------
23
HHSearch
77.39
18%
-136
- C8 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-201]
-----------------------------------------------
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
-----------------------------
24
HHSearch
76.83
16%
-136
- C8 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-236]
---------------------------------------------
V
V
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
-----------------------------
44
Fugue
76.77
17%
-173
- C6 -
3Q9L
3
MIND_ECOLI
A:
[2-258]
A
R
I
I
V
VTSGKGGVG
K
T
T
S
S
A
A
I
A
T
G
L
A
Q
K
G
K
K
T
V
V
I
D
F
A
I
G
L
R
N
L
D
L
I
M
G
C
E
R
R
V
V
Y
D
F
V
N
V
---
I
Q
GDA
T
L
N
Q
A
L
I
---
K
D
K
R
T
----
E
N
-----
L
Y
I
L
P
A
S
Q
T
R
D
K
D
A
L
T
R
E
G
---
V
A
-
K
V
L
D
D
L
K
-
A
M
D
----------
F
E
F
I
V
C
D
S
P
A
G
I
E
T
G
A
--
L
M
A
-
L
Y
F
A
D
E
A
I
I
T
T
N
P
-----
E
V
S
S
V
R
---
D
S
D
R
I
-------
L
G
I
L
A
S
K
-
S
--
R
R
A
E
N
------------------
G
----
E
E
P
I
-----------
K
E
H
L
L
-
L
T
R
Y
N
---
P
G
R
V
S
R
G
D
-
M
L
S
M
E
D
V
L
E
I
L
R
I
----------------------------------------------------------------
K
L
V
G
V
I
P
E
--------------------
D
Q
S
V
L
R
A
----------
S
N
Q
G
E
P
V
I
L
D
I
N
-------------------
A
---
D
A
G
K
------------
A
Y
-
A
---------
D
T
V
--------
E
R
---
L
L
-------
G
E
E
R
P
F
R
F
I
E
----
E
------------------------------------
49
Fugue
76.54
17%
-151
- C7 -
4RDQ
9
?
A:
[1-366]
------------TVTYT
N
R
V
A
D
A
R
L
G
T
F
S
Q
L
L
L
Q
W
K
G
------
S
I
Y
K
L
L
Y
S
E
F
L
I
F
I
S
L
Y
F
A
---
I
S
---
L
V
Y
R
L
I
L
---
S
E
S
Q
R
L
M
--
F
E
-----
K
L
A
L
Y
C
N
S
Y
A
E
L
I
P
V
S
F
V
L
G
F
Y
V
S
-
L
V
V
S
R
W
W
-
A
Q
Y
E
S
I
P
W
P
D
-
R
I
M
N
L
V
S
C
N
V
D
G
E
D
E
Y
G
R
--
L
L
R
-
R
T
L
-
M
R
Y
S
N
L
C
S
V
-----
L
I
L
R
S
V
---
S
T
A
V
Y
-------
K
R
F
P
S
M
E
H
V
--
V
R
A
G
L
MT
P
E
E
H
K
K
F
E
S
LNSPHNK
F
----
W
I
P
C
V
W
F
S
N
L
A
V
K
A
R
N
E
G
R
I
-
R
D
S
V
L
---
L
Q
G
I
L
N
E
L
-
N
T
L
R
S
Q
C
G
R
L
Y
G
Y
D
W
----------------------------------
I
S
I
P
L
V
Y
---------
T
Q
-----
V
V
T
V
A
V
Y
S
F
F
L
A
C
--------------------
L
I
G
R
Q
F
L
DPEKAYPGHE
L
D
L
F
V
P
-
V
F
T
F
L
Q
F
F
F
---
Y
A
G
W
L
K
V
A
----
E
---
Q
L
I
N
------------
P
F
-
G
EDDDDFE
T
N
W
L
I
--------
D
R
---
N
L
Q
V
S
-
L
M
A
V
D
E
M
H
Q
D
L
P
I
----
L
E
K
-
D
L
Y
W
NEP
D
P
Q
P
P
Y
T
AATAEYKRPSFLGSTFDIS
29
HHSearch
75.33
15%
-136
- C8 -
1U19
13
OPSD_BOVIN
A:
[37-316]
------------------------------------------
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
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
QQQESA
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
GS----------
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
-----------------------------
32
HHSearch
71.99
14%
-135
- C8 -
2LNL
-
CXCR1_HUMAN
A:
[38-314]
--------------------------------------------
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
R
TQVIQE
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
-----------------------------
46
Fugue
70.95
13%
-166
- C5 -
4RKS
4
MV3K_THEAC
A:
[21-337]
-------------------
T
Y
R
S
I
G
S
T
A
Y
P
-
T
I
G
V
V
L
L
G
-
G
I
A
N
-----
P
V
T
R
T
P
L
H
T
S
A
G
I
---
A
Y
---
S
D
S
C
G
S
I
---
R
S
E
T
R
I
Y
A
D
E
A
-----
T
H
I
Y
F
N
G
T
E
S
T
D
---
D
N
R
S
---
V
R
-
R
V
L
D
R
Y
S
-
S
V
F
E
E
A
F
G
T
K
----
T
V
S
Y
S
S
Q
N
F
G
I
L
S
G
S
S
D
A
G
A
-
A
S
I
-
G
A
A
I
L
G
L
K
P
-----
D
L
D
P
H
D
---
V
E
N
D
L
RAVSES
A
G
R
S
L
F
G
G
L
T
--
I
T
W
S
D
------------------
G
----
F
H
A
Y
T
E
K
I
L
D
P
E
A
F
S
G
Y
S
I
V
-
A
F
A
F
D
---
Y
Q
R
N
P
S
D
V
-
I
H
Q
N
I
V
R
S
D
L
Y
P
A
R
K
K
H
A
-
D
---------------------------
E
H
A
H
M
I
K
E
Y
A
K
T
ND
I
K
G
I
F
D
-----
L
A
Q
E
D
T
E
E
Y
H
S
I
L
--------------------
R
G
V
G
V
N
V
----------
I
R
E
N
M
Q
K
L
I
S
Y
L
K
L
I
R
---
K
D
Y
W
N
A
Y
I
V
T
GG
S
---
N
V
Y
V
------------
A
V
-
E
---------
S
E
N
--------
A
D
---
R
L
F
S
I
-
E
N
T
F
G
S
K
K
K
M
L
R
I
V
G
G
A
W
H
R
-
R
P
E
------------------------------
47
Fugue
69.89
17%
-180
- C4 -
4BZF
3
GALM_BACSU
A:
[1-322]
----------------------
A
N
F
I
E
K
I
T
Y
L
G
T
P
A
I
K
A
-
G
N
E
H
L
E
M
I
V
-
V
P
E
W
G
S
N
V
I
S
L
V
DKT
T
N
---
V
Q
L
L
R
E
P
---
E
T
A
E
S
F
H
--
D
T
PTLY
G
I
P
I
L
F
P
P
N
R
I
S
D
G
T
F
S
F
R
G
---
R
T
-
Y
H
F
D
I
N
E
-
K
D
K
H
N
H
L
H
G
F
-
L
Y
H
E
K
W
N
V
V
T
T
K
Q
T
D
E
G
V
--
I
V
E
-
T
E
I
-
D
-------------
L
S
E
L
P
H
---
V
Q
K
Q
F
-------
P
H
H
A
V
V
R
M
T
Y
T
I
K
E
N
T
------------------
L
----
F
K
H
A
T
V
M
N
K
G
K
-
E
A
F
P
W
G
I
G
-
Y
H
T
T
F
IFP
A
E
S
S
L
F
S
L
T
A
D
Q
Q
W
E
L
D
E
R
L
L
P
T
G
K
L
M
D
V
---------------------------
P
Y
K
E
A
L
H
E
G
---------
M
D
LRHKQ
L
D
D
V
F
L
S
S
Y
Q
K
R
G
--------------------
G
E
N
Q
A
V
I
----------
Y
H
Q
H
-
A
H
I
S
I
I
Y
K
A
D
E
---
Q
F
K
H
W
V
V
Y
----
N
ADG
K
Q
G
Y
------------
L
C
-
P
---------
E
P
Y
--------
T
W
VTN
A
V
N
L
D
-
L
P
S
S
L
T
G
L
Q
V
L
E
P
----
G
E
E
-
T
T
A
K
S
S
I
T
I
E
L
N---------------------
33
HHSearch
69.50
17%
-149
- C8 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-227]
------------------------------------------------
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
-----------------------------
21
HHSearch
65.97
17%
-146
- C8 -
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
----------------------------------------------
V
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
-----------------------------
6
PsiBlast_PDB
65.76
22%
-140
- C8 -
4BWB
1
NTR1_RAT
A:
[26-160]
----------------------------------------------------
Y
L
A
L
F
V
V
G
T
V
---
G
N
---
G
V
T
L
F
T
L
A-----
Q
S
L
Q
--
S
R
-----
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
F
A
---
L
P
V
D
L
Y
N
F
I
W
-
V
H
H
P
W
A
F
G
D
A
G
C
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
--
V
V
S
-
L
S
V
-
E
L
Y
L
A
I
C
H
P
-----
F
K
A
K
T
L
---
M
S
R
S
R
-------
T
K
K
F
I
S
A
I
W
--
L
A
S
A
L
------------------
L
----
A
I
P
M
L
F
T
M
G
L
Q
N
L
S
G
D
G
T
H
P
-
G
G
L
V
C
---
T
P
I
V
D
T
A
T
-
L
R
V
V
I
Q
L
N
T
F
M
S
F
L
F
P
M
L
-
V
---------------------------
A
S
I
L
N
T
V
A
A
---------
R
R
-----
L
T
V
M
V
E
P
G
R
V
Q
A
L
--------------------
R
R
G
V
L
V
L
----------
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
---
R
R
L
M
F
V
Y
I
----
S
---
D
E
Q
W
------------
T
T
-
A
---------
L
F
D
--------
F
Y
---
H
Y
F
Y
M
-
L
S
N
A
L
V
Y
V
S
A
A
I
N
----
P
I
L
-
Y
N
L
V
-----------------------------
22
HHSearch
65.31
15%
-131
- C8 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-240]
------------------------------------------
N
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
-----------------------------
31
HHSearch
64.87
17%
-146
- C8 -
3V2Y
1
ENLYS_BPT4
A:
[60-250]
------------------------------------------
E
N
S
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
-----------------------------
5
PsiBlast_PDB
62.29
23%
-145
- C8 -
3ZEV
5
NTR1_RAT
A:
[26-160]
----------------------------------------------------
Y
L
A
L
F
V
V
G
T
V
---
G
N
---
S
V
T
L
F
T
L
A
R
K
K
---
S
L
Q
--
S
T
-----
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
---
M
P
V
E
L
Y
N
F
I
W
-
V
H
H
P
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
--
V
V
S
-
L
S
V
-
E
L
Y
L
A
I
C
H
P
-----
F
K
A
K
T
L
---
M
S
R
S
R
-------
T
K
K
F
I
S
A
I
W
--
L
A
S
A
L
------------------
L
----
A
I
P
M
L
F
T
M
G
L
Q
N
L
S
G
D
G
T
H
P
-
G
G
L
V
C
---
T
P
I
V
D
T
A
T
-
L
K
V
V
I
Q
V
N
T
F
M
S
F
L
F
P
M
L
-
V
---------------------------
A
S
I
L
N
T
V
I
A
---------
N
K
-----
L
T
V
M
V
H
Q
P
G
R
V
Q
A
--------------------
L
R
R
G
V
L
V
----------
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
---
V
R
R
L
M
F
C
Y
----
I
---
S
D
E
Q
------------
W
T
-
T
---------
F
L
F
--------
D
F
---
Y
H
Y
F
Y
-
M
L
T
N
A
L
V
Y
V
S
A
A
I
----
N
P
I
-
L
Y
N
L
-----------------------------
2
PsiBlast_PDB
61.62
23%
-130
- C8 -
4XES
2
?
A:
[39-173]
----------------------------------------------------
Y
L
A
L
F
V
V
G
T
V
---
G
N
---
S
V
T
L
F
T
L
A
R
K
K
S
L
Q
S
L
Q
--
S
T
-----
V
H
Y
H
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
---
M
P
V
E
L
Y
N
F
I
W
-
V
H
H
P
W
A
F
G
D
A
-
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
--
N
V
A
S
L
S
V
-
A
R
Y
L
A
I
C
H
P
-----
F
K
A
K
T
L
---
M
S
R
S
R
-------
T
K
K
F
I
S
A
I
W
--
L
A
S
A
L
------------------
L
----
A
I
P
M
L
F
T
M
G
L
Q
N
R
S
A
D
G
T
H
P
-
G
G
L
V
C
---
T
P
I
V
D
T
A
T
-
V
K
V
V
I
Q
V
N
T
F
M
S
F
L
F
P
M
L
-
V
---------------------------
I
S
I
L
N
T
V
I
A
---------
N
K
-----
L
T
V
M
V
P
G
R
V
Q
A
L
R
--------------------
H
G
V
L
V
L
R
----------
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
---
R
L
M
F
C
Y
I
S
----
D
---
E
Q
W
T
------------
T
F
-
L
---------
F
D
F
--------
Y
H
---
Y
F
Y
M
L
-
T
N
A
L
F
Y
A
S
S
A
I
N
P
----
I
L
Y
-
N
L
V
S
-----------------------------
1
PsiBlast_PDB
61.58
23%
-127
- C8 -
4XEE
1
?
A:
[39-173]
----------------------------------------------------
Y
L
A
L
F
V
V
G
T
V
---
G
N
---
S
V
T
L
F
T
L
A
R
K---------
S
T
-----
V
H
Y
H
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
---
M
P
V
E
L
Y
N
F
I
W
-
V
H
H
P
W
A
F
G
D
A
-
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
--
N
V
A
S
L
S
V
-
E
R
Y
L
A
I
C
H
P
-----
F
K
A
K
T
L
---
M
S
R
S
R
-------
T
K
K
F
I
S
A
I
W
--
L
A
S
A
L
------------------
L
----
A
I
P
M
L
F
T
M
G
L
Q
N
R
S
A
D
G
T
H
P
-
G
G
L
V
C
---
T
P
I
V
D
T
A
T
-
V
K
V
V
I
Q
V
N
T
F
M
S
F
L
F
P
M
L
-
V
---------------------------
I
S
I
L
N
T
V
I
A
---------
N
K
-----
L
T
V
M
V
P
G
R
V
Q
A
L
R
--------------------
H
G
V
L
V
L
R
----------
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
---
R
L
M
F
C
Y
I
S
----
D
---
E
Q
W
T
------------
T
F
-
L
---------
F
D
F
--------
Y
H
---
Y
F
Y
M
L
-
T
N
A
L
F
Y
A
S
S
A
I
N
P
----
I
L
Y
-
N
L
V
S
-----------------------------