@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 : CCR9_HUMAN: (2016-01-09 )
MTPTDFTSPIPNMADDYGSESTSSMEDYVNFNFTDFYCEKNNVRQFASHFLPPLYWLVFIVGALGNSLVILVYWYCTRVKTMTDMFLLNLAIADLLFLVTLPFWAIAAADQWKFQTFMCKVVNSMYKMNFYSCVLLIMCISVDRYIAIAQAMRAHTWREKRLLYSKMVCFTIWVLAAALCIPEILYSQIKEESGIAICTMVYPSDESTKLKSAVLTLKVILGFFLPFVVMACCYTIIIHTLIQAKKSSKHKALKVTITVLTVFVLSQFPYNCILLVQTIDAYAMFISNCAVSTNIDICFQVTQTIAFFHSCLNPVLYVFVGERFRRDLVKTLKNLGCISQAQWVSFTRREGSLKLSSMLLETTSGALSL
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....------...360.......-----------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MTPTDFTSPIPN
M
A
D
DYGSESTSS
M
E
D
Y
V
NFN
F
T
D
F
Y
CEKN
N
V
R
Q
F
A
S
HFL
P
P
L
Y
W
L
V
F
I
V
G
ALGN
S
L
V
I
L
V
Y
W
YCTR
V
K
T
M
T
D
M
F
L
L
N
L
A
I
A
D
L
L
F
L
V
-
T
--
L
P
---
F
W
A
I
A-A--ADQ--
W
K
F
Q
T
F
M
C
K
V
V
N
S
M
Y
K
M
N
F
Y
S
C
V
L
L
I
M
C
ISV
D
R
Y
I
A
I
A
Q
A
M
R
A
H
T
W
R
E
---
K
R
L
L
Y
S
K
M
V
C
F
T
--
I
--
W
V
L
A
A
A
L
C
I
P
E
I
L
-
Y
-
S
Q
I
K
E---ESG
I
A
-
I
C
T
M
-
V
YPS-----D--ES
T
K
L
K
S
A
V
L
T
L
K
V
I
L
G
-
F
F
L
P
F
V
V
M
A
C
C
Y
T
I
I
I
H
T
L
-----
I
----------------------------------------------------
Q
A
K------------------------------------------------------------------------------------------------------------------------------------------------------------------K--------------------------------------------------------------------------------------------------------------------------------------------------------------------SSKH
K
A
L
K
V
T
I
T
V
L
T
V
F
V
L
S
QFPY
N
C
I
L
L
V
Q
T
I
-----
D
A
Y
A
M
F
--
I
S
N--CAVSTN
I
D
I
C
F
Q
V
T
Q
T
I
A
F
F
H
S
C
L
---
N
P
V
L
Y
V
F
V
G
E
R
F
R
R
D
L
V
K
T
L
K
NLGCI
S
Q
A
Q
W
V
S
F
TRREGS
L
K
L
S
------
S
M
L
L
ETTSGALSL-----------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
89.74
34%
-153
- C4 -
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
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
89.26
32%
-167
- C4 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-362]
------------------------------------
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
88.86
32%
-166
- C4 -
4MBS
7
CCR5_HUMAN (first)
B:
[21-362]
------------------------------------
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
YTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQFEEVEEE----------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
82.03
27%
-144
- C4 -
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
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
TKSPS
L
N
A
A
K
S
--
E
L
D
--
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
---
D
A
A
V
R
G
I
L
R
---
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
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
47
Fugue
80.85
28%
-148
- 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
TD
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
QT
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
77.68
24%
-145
- C4 -
4XNW
2
RUBR_CLOPA
A:
[48-382]
---------------------------------------------
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
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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
AM
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
77.25
24%
-144
- C4 -
4XNV
15
P2RY1_HUMAN (first)
A:
[48-382]
---------------------------------------------
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
AM
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
76.43
39%
-141
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[37-322]
---------------------------------------------
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
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
75.33
29%
-166
- C4 -
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
75.02
27%
-168
- C4 -
4RWA
2
C562_ECOLX (first)
A:
[128-400]
-----------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
75.00
27%
-171
- C4 -
4RWD
6
C562_ECOLX (first)
A:
[128-400]
-----------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
74.89
29%
-160
- C4 -
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
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
A
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
74.80
19%
-127
- C4 -
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
GY
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
A
T
T
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
-------
L
I
C
W
-----
L
P
Y
A
G
V
--
A
F
Y
--
I
F
T
H
Q
G
S
D
F
G
P
I
F
M
T
I
P
A
F
F
A
K
T
S
AVY
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
--------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
74.55
40%
-146
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[46-324]
------------------------------------------------------
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
73.62
27%
-169
- C4 -
4N6H
22
OPRD_HUMAN
A:
[131-403]
-----------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
73.36
21%
-146
- C4 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
-----------------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
72.53
29%
-160
- C4 -
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
71.90
22%
-148
- C4 -
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
71.81
22%
-159
* 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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
71.72
23%
-141
- C4 -
2Z73
5
OPSD_TODPA
A:
[28-336]
-----------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------