@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 : CCR6_HUMAN: (2016-01-09 )
MSGESMNFSDVFDSSEDYFVSVNTSYYSVDSEMLLCSLQEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWAVSHATGAWVFSNATCKLLKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRSRTLPRSKIICLVVWGLSVIISSSTFVFNQKYNTQGSDVCEPKYQTVSEPIRWKLLMLGLELLFGFFIPLMFMIFCYTFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGKMNRSCQSEKLIGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKILKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM
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.......370..-------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSGESM
N
F
S
D
VFDSSE
D
Y
F
V
S
V
N
T
S
Y
YSV
D
S
E
M
L
L
C
S
L
Q
E
V
R
Q
F
S
R
L
F
V
P
I
A
----
Y
S
L
I
C
V
F
G
L
L
G
N
I
L
V
V
I
T
F
A
F
Y
K
K
ARS
M
T
D
V
Y
L
L
N
M
A
I
A
D
I
L
F
-
V
-
L
T
--
L
P
---
F
W
A
---VSHA-TG
A
-
W
V
FSN
A
T
C
K
L
L
K
G
I
Y
A
I
NFN
C
G
M
L
L
L
T
C
ISM
D
R
Y
I
A
I
V
Q
A
T
K
SF-RLRS-RTLPRS
K
I
I
C
L
V
VWG
L
S
V
I
I
SS
S
T
F
V
F
-NQKYNT---Q-G-SD-VCEP
K
Y
Q
TV-S-E
P
I
R
W
K
L
L
M
L
G
L
E
L
L
F
G
-
F
F
I
P
L
M
F
M
I
F
C
Y
T
F
I
V
K
T
L
--
V
----------------------------------------------------
Q
----------------------------------------------------AQ---------------------N--------------------------------------------------------------------------------------------------------------------------------------------------------------------SK
R
H
K
A
------
I
R
V
I
I
A
V
V
L
V
F
L
A
C
QIP-H
N
M
V
----
L
L
V
-
T
AANL
G
-
K
-M-NRSCQSE--KLIG
Y
T
K
T
V
T
E
V
L
A
F
L
H
C
C
L
N
P
V
L
Y
A
F
I
G
-
Q
K
F
R
N
Y
F
--
L
K
I
L
K
D
L
W
C
V
R
R
K
Y
KSSGFSCA
G
R
Y
S
E
N
ISRQTSETADNDNASSFTM-------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
89.20
34%
-143
- 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
---------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
88.41
29%
-147
- C2 -
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
83.55
31%
-141
- 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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
82.88
22%
-151
- C2 -
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
82.64
27%
-138
- C2 -
4XNW
2
RUBR_CLOPA
A:
[41-380]
-----------------------------------
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
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
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
82.29
31%
-157
- 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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
81.31
27%
-143
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[41-380]
-----------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
79.73
31%
-153
- 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
A
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
79.47
20%
-155
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[22-457]
--------------------------------------------
E
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
78.79
20%
-152
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
78.27
28%
-161
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[132-405]
--------------------------------------------------------
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
RG
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
77.95
25%
-111
- 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
-
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
GIGH
L
L
T
-
K
S
P
S
L
N
-
A
-
A
-
K
S
E
L
D
K
A
IG
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
12
PsiBlast_PDB
77.73
27%
-149
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[114-406]
-----------------------------------------
R
S
A
S
S
L
A
L
A
I
A
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
77.25
44%
-126
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[33-320]
---------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
77.21
22%
-147
- C2 -
3EML
13
ENLYS_BPT4
A:
[21-470]
---------------------------------------------
S
S
V
Y
I
T
V
----
E
L
A
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
-
L
A
--
I
P
---
F
A
I
---
T
I
S
---
T
G
-
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
-
G
L
V
T
---
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
-
W
N
N
C
G
Q
-------
S
Q
-
G
C
G
E
G
Q
V
A
C
-
L
F
E
D
V
V
P
M
N
Y
M
V
Y
F
N
F
F
A
C
-
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
--
R
----------------------------------------------------
R
----------------------------------------------------
Q
L
---------------------
N
I
F
E
M
L
R
I
D
E
GLRL
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
TGTW
D
A
Y
R
S
T
L
-
Q
K
E
V
H
A
------
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
-
L
H
I
I
----
N
C
F
-
T
F
F
C
P
D
--------
C
S
----
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
-
R
E
F
R
Q
T
F
--
R
K
I
I
R
S
H
V
L
R
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
77.09
22%
-160
- 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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
76.34
45%
-125
- C2 -
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
75.86
27%
-154
- C2 -
4N6H
23
C562_ECOLX (first)
A:
[117-410]
-----------------------------------------
R
S
A
S
S
L
A
L
A
I
A
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
75.68
22%
-137
* C2 *
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
----------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
75.51
27%
-150
- C2 -
4RWD
7
C562_ECOLX (first)
A:
[114-406]
-----------------------------------------
R
S
A
S
S
L
A
L
A
I
A
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------