@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 : CCRL2_HUMAN: (2016-01-09 )
MANYTLAPEDEYDVLIEGELESDEAEQCDKYDAQALSAQLVPSLCSAVFVIGVLDNLLVVLILVKYKGLKRVENIYLLNLAVSNLCFLLTLPFWAHAGGDPMCKILIGLYFVGLYSETFFNCLLTVQRYLVFLHKGNFFSARRRVPCGIITSVLAWVTAILATLPEFVVYKPQMEDQKYKCAFSRTPFLPADETFWKHFLTLKMNISVLVLPLFIFTFLYVQMRKTLRFREQRYSLFKLVFAIMVVFLLMWAPYNIAFFLSTFKEHFSLSDCKSSYNLDKSVHITKLIATTHCCINPLLYAFLDGTFSKYLCRCFHLRSNTPLQPRGQSAQGTSREEPDHSTEV
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..----------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MANYTLAPEDE
Y
D
V
L
I
E
GELE
S
D
E
-
A
E
Q
C
D
K
Y
D
A
Q
A
L
S
A
Q
L
V
P
S
L
C
S
A
V
F
V
I
G
V
L
D
N
L
L
V
V
L
I
L
V
K
YKGLKRV
E
N
I
Y
L
L
N
L
A
V
SN
L
C
F
L
L
---T--
L
P
---------
F
---------WA------HA--------G--------G
D
P
M
C
K
I
L
I
G
L
Y
F
V
G
L
Y
S
E
T
F
F
N
C
L
L
T
V
Q
R
Y
L
V
F
LH--KGNF
F
S
A
R---RRV
P
C
G
I
I
T
S
V
L
A
W
V
T
A
I
L
A
T
L
P
E
F
V
V
-Y--KPQ----M-E---D-Q
K
Y
K
C
AFSRTPFLPA
D
E
T
F
W
K
H
F
L
T
L
K
M
N
I
S
V
L
V
L
P
L
F
I
F
T
F
L
Y
-------
V
Q
---------
M
R
K
T
L
-------------------------------------------------
R
--
F
----------------------
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
-----
Q
R
Y
------------
S
--
L
---
F
K
L
V
F
A
I
M
V
V
F
L
L
M
---WAP
Y
N
I
--
A
F
F
L
S
T
F
-
K
-
E
-------HF-
S
L
S
D
C
K
SSYNL-DKS
V
H
I
T
K
L
I
A
T
T
H
C
C
I
N
P
L
L
Y
A
F
LDG
T
F
S
K
Y
L
C
R
C
F
HLRSNTPLQPRGQSAQGTSREEPDHSTEV----------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
91.34
38%
-155
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-361]
---------------------------
P
C
Q
K
I
N
V
K
Q
I
A
A
R
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
L
L
---
T
--
V
P
---------
F
---------
W
A
------
H
Y
--------
A
A
AQWDF--
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
---
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
I
I
F
-
T
--
R
S
Q
----
K
-
E
---
G
-
L
H
Y
T
C
S
-
S
H
F
P
Y
--
S
Q
Y
Q
F
W
K
N
F
Q
T
L
K
I
V
I
L
G
L
V
L
P
L
L
V
M
V
I
C
Y
-------
S
G
---------
I
L
K
T
L
L
R
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKD
Q
--
F
----------------------
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
E
E
EK
K
R
H
------------
R
--
D
---
V
R
L
I
F
T
I
M
I
V
Y
F
L
F
---
W
A
P
Y
N
I
--
V
L
L
L
N
T
F
-
Q
-
E
-------
F
F
-
G
L
N
N
C
S
S
S
N
R
L
-
D
Q
A
M
Q
V
T
E
T
L
G
M
T
H
C
C
I
N
P
I
I
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
90.81
38%
-156
- C2 -
4MBS
7
CCR5_HUMAN (first)
B:
[21-361]
---------------------------
P
C
Q
K
I
N
V
K
Q
I
A
A
R
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
L
L
---
T
--
V
P
---------
F
---------
W
A
------
H
Y
--------
A
AAQWDF--
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
---
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
I
I
F
-
T
--
R
S
Q
----
K
-
E
---
G
-
L
H
Y
T
C
S
-
S
H
F
P
Y
--
S
Q
Y
Q
F
W
K
N
F
Q
T
L
K
I
V
I
L
G
L
V
L
P
L
L
V
M
V
I
C
Y
-------
S
G
---------
I
L
K
T
L
LRMKKYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKD
Q
--
F
----------------------
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
VEEEK
K
R
H
------------
R
--
D
---
V
R
L
I
F
T
I
M
I
V
Y
F
L
F
---
W
A
P
Y
N
I
--
V
L
L
L
N
T
F
-
Q
-
E
-------
F
F
-
G
L
N
N
C
S
S
S
N
R
L
-
D
Q
A
M
Q
V
T
E
T
L
G
M
T
H
C
C
I
N
P
I
I
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
77.93
27%
-142
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-498]
---------------------------
P
C
F
R
E
E
N
A
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
ANWY--
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
SN
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
-----
Q
K
R
------------
K
--
A
---
L
K
T
T
V
I
L
I
L
A
F
F
A
C
---
W
L
P
Y
Y
I
--
G
I
S
I
D
S
F
-
I
-
L
-------
L
E
I
I
K
Q
G
C
E
F
E
N
T
V
-
H
K
W
I
S
I
T
E
A
L
A
F
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
A
K
F
K
T
S
A
Q
H
A
L
T
S
G
R
P
L
E
V
L
F
Q
----------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
75.93
24%
-158
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[125-406]
-----------------------------------------
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
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
A
K
Y
L
M
ET
W
P
------
F
------------------
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
--
P
V
K
A
L
D
F
R
---
T
P
A
K
A
K
L
I
-
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
-
A
--
V
T
R
----
P
-
R
---
D
-
G
A
V
V
C
M
L
Q
----
F
P
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
LL-------------------------------------------------------------------
G
--
S
----------------------
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
-----
K
D
R
------------
S
--
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
---
W
A
P
I
H
I
--------
F
-
V
-
I
-------
V
W
-
T
L
V
D
I
D
R
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
----
R
C
F
R
Q
L
C
-----------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
74.98
23%
-145
- C2 -
4XT1
15
US28_HCMVA
A:
[23-310]
--------------------
D
Y
D
E
D
A
T
P
C
V
F
T
D
V
L
N
Q
S
K
P
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
---
T
--
L
P
---------
L
---------
W
M
Q
Y
L
L
D---------------------
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
--
M
R
Y
--------
R
P
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
H
F
M
V
-
V
--
T
K
K
DN
Q
C
M
-
T
---
D
-
Y
D
Y
L
------------
E
V
S
Y
P
I
I
L
N
V
E
L
M
L
G
A
F
V
I
P
L
S
V
I
S
Y
C
Y
-------
Y
R
---------
I
S
R
I
V
-------------------------------------------------
A
--
V
----------------------
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-----
S
R
H
------------
K
G
R
I
---
V
R
V
L
I
A
V
V
L
V
F
I
I
F
---
W
L
P
Y
H
L
--
T
L
F
V
D
T
L
-
K
L
L
-------
K
W
-
I
S
S
S
C
E
F
E
R
S
L
-
K
R
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
F
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
74.67
24%
-152
- C2 -
4N6H
22
OPRD_HUMAN
A:
[128-412]
-----------------------------------------
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
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
A
K
Y
L
M
ET
W
P
------
F
------------------
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
--
P
V
K
A
L
D
F
R
---
T
P
A
K
A
K
L
I
-
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
-
A
--
V
T
R
----
P
-
R
---
D
-
G
A
V
V
C
M
L
Q
----
F
P
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
---------
V
R
L
L
S
-------------------------------------------------
G
--
S
----------------------
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
-----
K
D
R
------------
S
--
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
---
W
A
P
I
H
I
--------
F
-
V
-
I
-------
V
W
-
T
L
V
D
I
D
R
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
----
R
C
F
R
Q
L
C
R
K
P
C
G
------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
74.55
24%
-159
- C2 -
4RWD
6
C562_ECOLX (first)
A:
[125-406]
-----------------------------------------
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
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
A
K
Y
L
M
ET
W
P
------
F
------------------
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
--
P
V
K
A
L
D
F
R
---
T
P
A
K
A
K
L
I
-
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
-
A
--
V
T
R
----
P
-
R
---
D
-
G
A
V
V
C
M
L
Q
----
F
P
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
---------
V
R
L
L
S
-------------------------------------------------
G
--
S
----------------------
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
-----
K
D
R
------------
S
--
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
---
W
A
P
I
H
I
--------
F
-
V
-
I
-------
V
W
-
T
L
V
D
I
D
R
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
----
R
C
F
R
Q
L
C
-----------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
74.18
22%
-131
- C2 -
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
KTDWIF
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
K
S
L
--
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
PEDGDPDNGVNPGTDFKDIVCPLCGVGKD-------
Q
--
F
----------------------
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
EE
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
R
R
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
73.70
23%
-146
- C2 -
4XT3
2
US28_HCMVA
A:
[26-310]
-----------------------
E
D
A
T
P
C
V
F
T
D
V
L
N
Q
S
K
P
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
---
T
--
L
P
---------
L
---------
W
M
Q
Y
L
L
DH-------------------
A
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
--
M
R
Y
--------
R
P
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
H
F
M
V
-
V
--
T
K
K
DN
Q
C
M
-
T
---
D
-
Y
D
Y
L
------------
E
V
S
Y
P
I
I
L
N
V
E
L
M
L
G
A
F
V
I
P
L
S
V
I
S
Y
C
Y
-------
Y
R
---------
I
S
R
I
V
-------------------------------------------------
A
--
V
----------------------
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-----
S
R
H
------------
K
G
R
I
---
V
R
V
L
I
A
V
V
L
V
F
I
I
F
---
W
L
P
Y
H
L
--
T
L
F
V
D
T
L
-
K
L
L
-------
K
W
-
I
S
S
S
C
E
F
E
R
S
L
-
K
R
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
71.69
25%
-159
- C2 -
5C1M
7
?
A:
[15-296]
------------------------------------
V
T
A
I
T
I
M
A
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
GT
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
M
LSGS
K
E
K
D
R
N
L
R
R
--
I
---
T
R
M
V
L
V
V
V
A
V
F
I
V
C
---
W
T
P
I
H
I
--
Y
V
I
I
K
----------------
A
L
I
T
I
P
E
T
T
F
Q
-
T
V
S
W
H
F
C
I
A
L
G
Y
T
N
S
C
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
----
R
C
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
70.16
19%
-133
- C2 -
2Z73
5
OPSD_TODPA
A:
[28-335]
--------------------------------
Q
V
P
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
KKWI-
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
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
-----------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
69.81
19%
-168
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
--------------------------------------
V
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
GYWP-
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
VRT
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
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYPPP--
S
-----
R
E
K
------------
K
--
V
---
T
R
T
I
L
A
I
L
L
A
F
I
I
T
---
W
A
P
Y
N
V
--
M
V
L
I
N
T
F
-
C
-
A
-------
P
----------
C
I
P
-
N
T
V
W
T
I
G
Y
W
L
C
Y
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
69.08
19%
-146
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[38-477]
------------------------------------
V
W
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
KMWT-
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
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYKFC--
L
-----
K
E
H
------------
K
--
A
---
L
K
T
L
G
I
I
M
G
T
F
T
L
C
---
W
L
P
F
F
I
--
V
N
I
V
H
V
I
-
Q
-
D
-------
N
----------
L
I
R
-
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
-
R
S
P
D
F
R
I
A
F
Q
E
L
L
C
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
68.86
21%
-120
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
---------------------------
P
C
F
R
E
E
N
A
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
ANWYF--
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
HSGSN
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
IGRNTNG
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
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
43
Fugue
68.82
18%
-96
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-
M
N
G
T
E
G
P
N
F
Y
V
P
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
GG
F
T
--
T
T
---------
L
---------
Y
T
------
S
L
H
GYFV---
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
AAASATT---------------
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
V
S
K
T
E
T
S
Q
V
A
P
A
------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
68.17
25%
-125
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[33-312]
--------------------------------
E
T
E
T
L
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
GWIF--
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
FK-----------------------------------------------
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
-
T
-------
Q
V
-
I
Q
E
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
68.16
22%
-144
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
----------------------------------------
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
SKWS-
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
HC--------------------
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYLHM---
N
-----
R
E
R
------------
K
--
A
---
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
---
W
I
P
Y
F
I
--
F
F
M
V
I
A
F
-
C
-
K
-------
N
----------
C
C
N
-
E
H
L
H
M
F
T
I
W
L
G
Y
I
N
S
T
L
N
P
L
I
Y
P
L
C
N
E
N
F
K
K
T
F
K
R
I
L
H
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
67.91
25%
-156
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[134-400]
-----------------------------------------------
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
LG
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
VRLLSGS---------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
67.08
16%
-148
* C2 *
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
-----------------------------------------
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
GGVWN
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
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAYGVP-
L
-----
R
E
K
------------
K
--
A
---
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
---
W
L
P
F
F
L
--
T
H
V
L
N
T
H
-
C
-
Q
-------
T
---------
C
H
V
S
-
P
E
L
Y
S
A
T
T
W
L
G
Y
V
N
S
A
L
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
L
S
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
66.78
16%
-135
- C2 -
2KS9
1
NK1R_HUMAN
A:
[30-326]
------------------------------------
W
Q
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
NEWY-
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
IPGDSSDRYH
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
L
-
Y
-----
L
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
D
Y
E
G
L
E
M
K
S
T
R
Y
L
Q
T
Q
G
S
V
Y
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