@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 : CCR1_HUMAN: (2016-01-09 )
METPNTTEDYDTTTEFDYGDATPCQKVNERAFGAQLLPPLYSLVFVIGLVGNILVVLVLVQYKRLKNMTSIYLLNLAISDLLFLFTLPFWIDYKLKDDWVFGDAMCKILSGFYYTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIIIWALAILASMPGLYFSKTQWEFTHHTCSLHFPHESLREWKLFQALKLNLFGLVLPLLVMIICYTGIIKILLRRPNEKKSKAVRLIFVIMIIFFLFWTPYNLTILISVFQDFLFTHECEQSRHLDLAVQVTEVIAYTHCCVNPVIYAFVGERFRKYLRQLFHRRVAVHLVKWLPFLSVDRLERVSSTSPSTGEHELSAGF
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...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
METPNTTEDYDTTTEFDYG-DAT
P
C
Q
K
V
N
E
R
AFG----
A
Q
L
L
P
P
L
Y
S
L
V
F
V
I
G
L
V
G
N
I
L
V
V
L
V
L
V
Q
Y
K
R
L
KN
M
T
S
I
Y
L
L
N
L
A
I
S
D
L
-
L
F
L
F
-T--L
P
F
W
I
D
Y
K
L-KD-DWV
F
G
D
A
M
C
K
I
L
S
G
F
Y
Y
T
G
L
Y
S
E
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
I
V
H
A
V
F
A
L
R
A---
R
T
V
T
F
G
V
I
T
S
I
I
I
W
A
L
A
I
L
ASMPG
L
Y
-
F
-SK
T
Q
W
---
E
F
T
H
-
H
-
T
C
S
L
HF
P
H
E
S
L
R
E
W
K
L
F
Q
A
L
K
L
N
L
F
G
L
V
L
P
L
L
V
M
I
I
C
Y
T
--
G
I
I
K
I
L
-----
L
------------------------------------------------R----------------------------------------------------R-------------------P--------------------------------------------------------------------------------------------------------------------------------------------------------------------N--------------------------------------------------------------------------------------------------------------------------------------------------------------------EK---------------------------------
K
---
S
K
A
V
R
L
I
F
V
I
M
I
I
F
F
L
F
WTPY
N
L
--
T
I
L
I
S
V
F
Q
D
F
L
F
-
T
H
ECEQSRHLD
L
A
V
Q
V
T
E
V
I
A
Y
T
H
C
C
V
N
P
V
I
Y
A
F
V
G
E
R
F
R
K
Y
L
R
Q
L
---
F
H
R
R
V
A
V
H
L
V
K
W
L
P
F
L
S
V
D
R
L
E
R
V
SSTSPSTGEHELSAGF
1
PsiBlast_PDB
91.30
48%
-173
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-366]
-----------------------
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
-
A
Q
--
W
D
F
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
F
E
E
V
E
-------------------
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
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
91.06
48%
-172
- C2 -
4MBS
7
CCR5_HUMAN (first)
B:
[21-366]
-----------------------
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
-
A
Q
--
W
D
F
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
MKKYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQFEEV
E
-------------------
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
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
--------------------------------------
2
PsiBlast_PDB
76.53
31%
-172
- C2 -
4XT1
15
US28_HCMVA
A:
[23-318]
----------------
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
-------
D
-
N
-
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
--------------------------------------
45
Fugue
76.06
28%
-157
- 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
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
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
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
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
R
R
R
-----------------------------------------------
3
PsiBlast_PDB
75.49
31%
-163
- C2 -
4XT3
2
US28_HCMVA
A:
[26-316]
-------------------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
-
H
---
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
-------
D
-
N
-
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
AE----------------------------------------
8
PsiBlast_PDB
75.18
29%
-174
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[128-406]
--------------------------------------------
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
E
-
T
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
--------GS----------------------------------------------
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
---------------------------------------
19
PsiBlast_PDB
75.14
24%
-164
- C2 -
4XNW
2
RUBR_CLOPA
A:
[53-382]
-----------------------------------------
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
L
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
PEDGD
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
G
VNPGTDFKDIPDDWVCPLCGVGKDQ
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
-----------------------------------------------
9
PsiBlast_PDB
74.98
29%
-178
- C2 -
4RWD
6
C562_ECOLX (first)
A:
[128-406]
--------------------------------------------
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
E
-
T
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
RLLSGS----------------------------------------
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
---------------------------------------
27
HHSearch
74.53
32%
-156
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-496]
-----------------------
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
--
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
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
----------------------------
18
PsiBlast_PDB
74.49
24%
-164
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[53-382]
-----------------------------------------
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
-
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
PEDGD
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
G
VNPGTDFKDIVCPLCGVGKDQ
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
-----------------------------------------------
7
PsiBlast_PDB
73.86
29%
-176
- C2 -
4N6H
22
OPRD_HUMAN
A:
[131-411]
--------------------------------------------
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
E
-
T
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
RLLSGS----------------------------------------
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
----------------------------------
29
HHSearch
73.78
24%
-167
- 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
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
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
TGTWDAYLH--
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-------------------------------------
10
PsiBlast_PDB
73.76
30%
-170
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[131-405]
--------------------------------------------
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
GVRLLSGS----------------------------------------
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
---------------------------------------------
20
PsiBlast_PDB
72.18
24%
-134
- C2 -
2KS9
1
NK1R_HUMAN
A:
[8-338]
--------
D
S
D
L
S
P
N
I
S
T
N
-
T
S
E
P
N
Q
F
V
-
Q
P
A
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
S
SDRYH
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
K
5
PsiBlast_PDB
71.40
31%
-176
- C2 -
5C1M
7
?
A:
[23-294]
--------------------------------------------
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
VRM
L
------------------------------------------------
S
----------------------------------------------------
G
-------------------
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
----------------------------------------------
35
HHSearch
70.70
22%
-170
* 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
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
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
-------------------------------------
32
HHSearch
70.04
22%
-164
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[41-477]
---------------------------------------
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
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
-------------------------------------
48
Fugue
69.10
19%
-124
- 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
-
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
AASAT--------------
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
V
S
K
T
E
T
S
Q
V
A
P
A
-----
28
HHSearch
68.87
20%
-172
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
---------------------------------------
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
GVR
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
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
TGTWDAYPP--
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------------------------------
36
HHSearch
68.05
22%
-148
- C2 -
2Z73
5
OPSD_TODPA
A:
[29-333]
-----------------------------
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
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
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
-----------