@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 : GPR1_HUMAN: (2016-01-10 )
MEDLEETLFEEFENYSYDLDYYSLESDLEEKVQLGVVHWVSLVLYCLAFVLGIPGNAIVIWFTGFKWKKTVTTLWFLNLAIADFIFLLFLPLYISYVAMNFHWPFGIWLCKANSFTAQLNMFASVFFLTVISLDHYIHLIHPVLSHRHRTLKNSLIVIIFIWLLASLIGGPALYFRDTVEFNNHTLCYNNFQKHDPDLTLIRHHVLTWVKFIIGYLFPLLTMSICYLCLIFKVKKRSILISSRHFWTILVVVVAFVVCWTPYHLFSIWELTIHHNSYSHHVMQAGIPLSTGLAFLNSCLNPILYVLISKKFQARFRSSVAEILKYTLWEVSCSGTVSEQLRNSETKNLCLLETAQ
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)
M
E
D
L
E
E
T
L
F
E
E
F
ENYSYD
L
D
Y
Y
S
L
E
S
D
L
E
E
K
V
Q
L
G
V
V
H
W
V
S
L
V
L
Y
C
L
A
F
V
LGIPG
N
A
I
V
I
W
-FTG
F
-
K
W
K
-
K
-
T
V
T
---
T
L
W
F
L
N
L
A
I
A
D
F
I
F
-
L
-
L
F
--
L
P
L
Y
I
S
Y
V
A
MNF---HWP
F
G
I
W
L
CKANS
F
T
A
Q
L
N
M
F
A
S
V
F
F
L
T
V
I
S
L
D
H
Y
I
H
L
I
H
P
V
L
S
H
R
H
---
R
T
L
KN
S
L
I
--
V
I
I
F
I
W
L
L
A
S
LIGG
P
A
L
Y
F
R
D
TVE---FNN
H
T
-
L
-
C
YNNFQKHDP
D
L
T
L
I
R
H
H
-------
V
L
T
W
V
K
F
------
I
I
G
-
Y
L
F
P
L
L
T
M
S
I
C
Y
----
L
C
L
I
F
-----------
K
VK
K
R
S
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
ISS-------------------------------------------------R
H
F
--------------------------------------------
W
T
I
----
L
V
V
V
V
A
----
F
V
V
--------CWT
P
Y
H
----
L
F
S
I
-
W
E
--
L
-----
T
-----
I
HHNS------YS------
H
H
V
M
QAGIP
L
S
T
G
L
A
F
L
N
S
C
L
N
P
I
L
Y
V
L
I
S
K
K
F
Q
A
R
F
R
S
S
V
A
E
I
L
K
Y
T
L
W
E
VSCSG
T
V
S
E
Q
L
RNSETK
N
L
C
L
L
ETAQ
47
Fugue
91.77
28%
-152
- C4 -
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
C
G
-------------------------------------------------
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
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
QTPAM
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
-----------------------------------------
22
PsiBlast_CBE
88.50
32%
-162
- C4 -
4RWA
1
OPRD_HUMAN
B:
[127-403]
------------------------------------------
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
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
RGS--------
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
---------------------------------------
21
PsiBlast_CBE
88.39
32%
-158
- C4 -
4RWD
5
OPRD_HUMAN
B:
[127-404]
------------------------------------------
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
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
RLRSVRLLSGS
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
-------------------------------------
4
PsiBlast_PDB
88.06
32%
-158
- C4 -
4RWD
6
C562_ECOLX (first)
A:
[127-404]
------------------------------------------
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
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
------------------------------------
5
PsiBlast_PDB
87.46
32%
-163
- C4 -
4N6H
22
OPRD_HUMAN
A:
[130-407]
------------------------------------------
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
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
-------------------------------
3
PsiBlast_PDB
87.31
32%
-161
- C4 -
4RWA
2
C562_ECOLX (first)
A:
[127-404]
------------------------------------------
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
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
------------------------------------
6
PsiBlast_PDB
85.76
23%
-160
- C4 -
4XNV
15
P2RY1_HUMAN
A:
[55-382]
------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
C
G
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
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
PAM
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
83.75
23%
-161
- C4 -
4XNW
2
RUBR_CLOPA
A:
[55-382]
------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
C
G
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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
PAM
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
-----------------------------------------
28
HHSearch
83.34
26%
-155
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[38-498]
---------------------------
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
S
N
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
-------------------------
1
PsiBlast_PDB
83.15
30%
-160
- C4 -
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
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
---------------------------------------
30
HHSearch
82.62
24%
-143
- C4 -
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
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
-----------------------------------
19
PsiBlast_PDB
80.88
22%
-159
- C4 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-358]
-------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
C
G
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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
-----------------------------------
9
PsiBlast_PDB
80.39
27%
-159
- C4 -
4XT3
2
US28_HCMVA
A:
[43-316]
---------------------------------------
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
KW
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
----------------------------------
2
PsiBlast_PDB
77.97
31%
-166
- C4 -
5C1M
7
?
A:
[21-296]
-----------------------------------------
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
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
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
----------------------------------------
37
HHSearch
77.92
22%
-147
- C4 -
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
----------------------------------
35
HHSearch
77.19
23%
-140
- C4 -
2KS9
1
NK1R_HUMAN
A:
[31-327]
------------------------------------
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
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
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
V
S
R
L
E
T
34
HHSearch
77.08
21%
-144
- C4 -
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
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
----------------------------------
33
HHSearch
76.87
22%
-146
* C4 *
2Z73
5
OPSD_TODPA
A:
[27-336]
------------------------------
D
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
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
--------
8
PsiBlast_PDB
76.71
27%
-157
- C4 -
4XT1
15
US28_HCMVA
A:
[43-316]
---------------------------------------
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
KW
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
--------------------------------
18
PsiBlast_PDB
75.52
28%
-145
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[40-321]
--------------------------------------
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
RTQ
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
--------------------------------