@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 : HCAR2_HUMAN: (2016-01-10 )
MNRHHLQDHFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFLMDNYVRRWDWKFGDIPCRLMLFMLAMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNRTAAIISCLLWGITIGLTVHLLKKKMPIQNGGANLCSSFSICHTFQWHEAMFLLEFFLPLGIILFCSARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIRIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKMTGEPDNNRSTSVELTGDPNKTRGAPEALMANSGEPWSPSYLGPTSP
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)
MN
R
H
H
L
Q
D
H
F
L
E
IDKKN
C
C
V
----------
F
RD
D
F
I
V
KVL
P
P
V
----
L
G
L
E
F
I
F
G
L
LGN
G
L
A
L
W
I
F
C
F
H
L
K
SWKSS
R
I
F
L
F
N
L
A
V
A
D
F
L
L
-
I
-
I
-
C
--
L
P
F
L
M
D
N
Y
V
R
R
WDWKFGD
I
P
C
R
L
M
L
F
M
L
A
MNRQG
S
I
I
F
L
T
V
V
A
V
D
R
Y
F
R
VVH
P
H
H
A
L
N
K
---IS
N
R
T
A
A
I
I
S
C
L
L
W
G
I
T
--
I
G
L
T
V
H
L
L
K
---
K
-KMPI---Q-------NG
G
A
------
N
L
C
----
S
----------
S
-------
F
S
I
C
-----
H
-
T
F
Q
-
W
H
E
----
A
----
M
F
----
L
L
E
F
F
L
P
L
G
I
I
L
F
C
S
A
R
I
I
W
S
L
R
-------
Q
-------------------------------------------------
R
Q
M
------------------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
R
H
---------------------------------------------
A
-
K
I
K
R
A
I
T
F
I
M
V
V
A
I
V
F
V
I
C
F
L
P
-
S
V
V
V
R
-
I
R
I
F
W
L
L
HTSGTQN
C
E
V
Y
R
S
---
V
D
L
A
F
F
I
T
L
S
F
T
-
Y
M
N
S
M
L
D
P
V
V
Y
YFSSPSF
P
N
F
F
S
T
L
I
N
R
C
L
Q
R
KMTGEPDNNRS
T
S
V
E
LTGDPNKTRGA
P
E
A
L
MANSGEPWSPSYLGPTSP
41
Fugue
97.36
30%
-160
- 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
YDTT
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
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
------------------------
33
HHSearch
88.67
23%
-155
* 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
GTWDAYG
V
P
---------------------------------------------
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
----------------------------------------------------
7
PsiBlast_PDB
84.79
29%
-151
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[136-406]
------------------------------------------------------
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
---G------
S
-------------------------------------------------
K
E
K
------------------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
R
S
------------------------------------------------
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
-------
I
H
I
F
V
I
V
W
T
L
----
V
D
I
D
R
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
-
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
------------------------------------------------------
11
PsiBlast_PDB
84.44
19%
-154
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[33-366]
-------------------------------------
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
-----------------------------------------------------
23
HHSearch
84.23
23%
-147
- C2 -
2Z73
5
OPSD_TODPA
A:
[29-337]
-------------------------------
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
RD
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
--------------------------
3
PsiBlast_PDB
84.13
30%
-155
- C2 -
5C1M
7
?
A:
[29-296]
----------------------------------------------------
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
LSGS
K
-------------
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
K
D
---------------------------------------------
R
-
N
L
R
R
I
T
R
M
V
L
V
V
V
A
V
F
I
V
C
W
T
P
-------
I
H
I
Y
V
I
I
K
A
L
I
T
I
P
E
T
T
F
Q
T
---
V
S
W
H
F
C
I
A
L
G
Y
T
---
N
S
C
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
----------------------------------------------------------
8
PsiBlast_PDB
83.50
29%
-155
- C2 -
4RWD
6
C562_ECOLX (first)
A:
[136-406]
------------------------------------------------------
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
RLLSG
S
-------------------------------------------------
K
E
K
------------------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
R
S
------------------------------------------------
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
-------
I
H
I
F
V
I
V
W
T
L
----
V
D
I
D
R
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
-
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
------------------------------------------------------
26
HHSearch
83.26
22%
-150
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
-----------------------------------
W
V
V
G
M
G
I
V
----
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
-
G
-
L
A
V
--
V
P
F
G
A
A
H
I
-
L
M
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
TGTWDAYK--
F
C
---------------------------------------------
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
----------------------------------------------------
27
HHSearch
83.02
19%
-157
- 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
TGTWDAYL--
H
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
----------------------------------------------------
25
HHSearch
82.67
19%
-144
- 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
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
TGTWDAYP--
P
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
-----------------------------------------------------
22
HHSearch
82.63
21%
-147
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[42-498]
------------------------------
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
TGTWDAYGS
K
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
-------------------------------------------
43
Fugue
81.82
19%
-129
- 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
RSPFEAPQYY
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
GW
S
R
-
Y
I
P
E
GMQ
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
AA-----------------------------------------------
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
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
--------------------
12
PsiBlast_PDB
81.68
24%
-166
- C2 -
4XT1
15
US28_HCMVA
A:
[31-318]
------------------
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
--------------------------------------------------
5
PsiBlast_PDB
81.09
29%
-156
- C2 -
4N6H
21
OPRD_HUMAN
A:
[139-411]
------------------------------------------------------
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
RLLSG
S
-------------------------------------------------
K
E
K
------------------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
R
S
------------------------------------------------
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
-------
I
H
I
F
V
I
V
W
T
L
----
V
D
I
D
R
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
-
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
R
K
P
C
G
-------------------------------------------------
20
PsiBlast_PDB
80.67
25%
-172
- C2 -
4LDE
3
A:
[178-463]
--------------------------------
D
E
V
W
V
V
G
M
G
I
V
----
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
-
A
-
V
--
V
P
F
G
A
A
H
I
L
T
K
-
T
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
MHWYRAT
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
QL-----------------------------------------------
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
F
---------------------------------------------
A
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
--------------------------------------------------
13
PsiBlast_PDB
80.27
24%
-160
- C2 -
4XT3
2
US28_HCMVA
A:
[31-316]
------------------
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
----------------------------------------------------
31
HHSearch
77.87
18%
-164
- C2 -
3EML
13
ENLYS_BPT4
A:
[20-472]
-----------------------------------
G
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
GQVACLF
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
-----------------------------------------------
4
PsiBlast_PDB
77.46
27%
-164
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[137-404]
----------------------------------------------------
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
PQDY
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
GVRLLSG
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
---------------------------------------------------------
29
HHSearch
77.01
18%
-159
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[59-495]
--------------------------------
K
E
N
S
I
K
L
T
S
V
V
----
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
-
G
-
V
-
A
--
Y
T
A
N
L
L
L
S
-
G
A
T
T
Y
K
L
T
P
A
Q
W
F
L
R
E
G
S
M
F
V
A
L
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-----------
N
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
--
L
I
L
G
G
L
P
I
M
---
G
-
W
N
C
I
---
S
---------
A
L
------
S
S
C
----
S
----------
T
-------
V
L
P
L
-----
Y
-
H
K
H
-
Y
-
I
----
L
----
F
C
----
T
T
V
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
-------
T
-------------------------------------------------
R
N
I
------------------
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
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
TGTWDAYA
S
--
R
S
---------------------------------------------
S
-
E
N
V
A
L
L
K
T
V
I
I
V
L
S
V
F
I
A
C
W
A
P
-
L
F
I
L
L
-
L
L
D
V
G
C
K
V
K
--------
T
C
D
---
I
L
F
R
A
E
Y
F
L
V
L
A
-
V
L
N
S
G
T
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
I
M
G
R
P
L
--------------------------------------------------
30
HHSearch
76.26
18%
-144
- C2 -
2KS9
1
NK1R_HUMAN
A:
[32-326]
------------------------------------
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
HPNKI
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
T
I
S
T
V
V
G
A
----------