@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 : G32P1_HUMAN: (2016-01-09 )
MNGVSEGTRGCSDRQPGALTQGHSCSRKMNASRCLSEEVGSLRPLTMAVLSASFVVGVLGNGLVPWVTVFRMARTVSTVCFFHLALADFMLSLSLPILVYYIVSRQWLLGEWACKLYTGFVFLTFSTSNCLLVLISVDRCISVLYPVWALNHRTEQRASWLAFGVWLLAAALCSAHLKFRTTRKWNGCMQCYLQFNLENETAQMWTQEVFGRQMAVIMAHFLLGFLGPLAIIGTCAHLIRAKLLREGWVHANRPKRLLLVLVSALSAGSHLT
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--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNGV
S
E
GTRGCSDRQPGALTQGHSCSRKM
N
A
S
R
C
L
S
E
E
V-GSLR
P
L
T
----
M
-
A
V
L
S
A
S
F
V
V
G
V
LGNG
L
V
P
W
-
V
T
V
-
F
R
M
A
-
R
-
T
V
S
-
T
V
C
F
F
H
L
A
L
A
D
F
M
L
S
L
-
S
L
P
I
L
V
Y
Y
-
I
V
SR-
Q
-
W
L
-
L
G
E
W
A
C
K
L
Y
T
G
F
V
F
L
T
FSTS
N
C
L
L
V
L
I
S
V
D
R
C
I
S
V
L
Y
P
V
W
ALNH
R
T
E
Q
R
A
S
W
L
A
F
G
V
W
L
L
A
A
A
L
C
S
A
H
L
----
K
------------------
F
-
R
T
T--RKW
N
G
C
M
Q
C
Y
L
Q
FNLE
N
E
T
A
Q
M
W
T
Q
E
V
FG-----------------------
R
Q
M
A
V
I
M
A
H
F
L
L
G
-
F
L
G
P
L
A
I
I
G
T
C
A
H
L
I
R
--------
A
K
L
-----------------------------------------------
L
R
EGWVHANR
P
K
R
L
L
L
V
L
V
S
A
L
SAGSHLT--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
Fugue
94.64
29%
-145
- 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
DFQTPAM
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
LAGDTFRRR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
81.98
22%
-127
- 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
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
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
9
PsiBlast_PDB
81.74
30%
-146
- C2 -
4XNW
1
RUBR_CLOPA
A:
[55-246]
-----------------------------------------------------
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
P
E
D
G
D
P
D
N
G
V
N
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
81.64
29%
-152
- C2 -
5C1M
5
?
A:
[2-208]
-------------------------------
S
H
S
L
-
P
Q
T
-
G
S
P
S
M
V
T
A
I
T
I
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
81.45
30%
-153
- C2 -
4XNV
11
P2RY1_HUMAN
A:
[55-246]
-----------------------------------------------------
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
P
E
D
G
D
P
D
N
G
V
N
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
79.69
23%
-149
- C2 -
3OE0
1
CXCR4_HUMAN (first)
A:
[35-236]
---------------------------
K
---
E
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
-----
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
79.63
29%
-157
- C2 -
4DKL
10
ENLYS_BPT4 (first)
A:
[14-208]
--------------------------------------------
M
V
T
A
I
T
I
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
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
N
T
E
G
Y
Y
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
78.25
23%
-151
- C2 -
4RWS
-
CXCR4_HUMAN (first)
A:
[32-235]
-------------------------
S
M
K
---
E
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
-----
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
C
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
77.57
23%
-145
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-240]
--------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
77.48
29%
-149
- C2 -
4DJH
1
ENLYS_BPT4 (first)
A:
[27-216]
-----------------------------------------------------
A
V
Y
S
V
V
F
V
V
G
L
V
G
N
S
L
V
M
F
-
V
I
I
R
Y
T
K
M
-
K
-
T
A
T
-
N
I
Y
I
F
N
L
A
L
A
D
A
L
V
T
T
-
T
M
P
F
Q
S
T
V
-
Y
L
M
N
-
S
-
W
P
-
F
G
D
V
L
C
K
I
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
L
K
A
K
I
I
N
I
C
I
W
L
L
S
S
S
V
G
I
S
A
I
----
V
------------------
L
-
G
G
T
K
V
R
E
D
V
D
V
I
E
C
S
L
Q
F
--
P
D
D
D
Y
S
W
W
--
D
L
F
M
-----------------------
K
-----
I
C
V
F
I
F
A
-
F
V
I
P
V
L
I
I
I
V
C
Y
T
L
M
I
--------
L
R
L
-----------------------------------------------
K
S
V
R
L
L
S
G
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
T
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
77.27
23%
-140
- C2 -
4XT3
2
US28_HCMVA
A:
[27-242]
-----------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
76.98
29%
-147
- C2 -
4EJ4
1
ENLYS_BPT4 (first)
A:
[19-205]
-----------------------------------------------------
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
L
-
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
--
Q
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
R
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
N
T
E
G
Y
Y
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
76.64
30%
-146
- C2 -
4RWD
4
C562_ECOLX (first)
A:
[127-305]
-----------------------------------------------------
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
R
L
L
S
G
S
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
76.04
30%
-150
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[127-305]
-----------------------------------------------------
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
75.79
23%
-141
- C2 -
4XT1
12
US28_HCMVA
A:
[27-242]
-----------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
Fugue
75.53
20%
-121
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
--------------------------------------
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
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
HW
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
T
E
G
Y
Y
T
IGIGHLLTKSPS
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
TGTWDAYKFCL
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
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL---------------------------------
1
PsiBlast_PDB
75.52
30%
-150
- C2 -
4N6H
16
OPRD_HUMAN
A:
[130-308]
-----------------------------------------------------
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
R
L
L
S
G
S
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
75.35
22%
-137
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[42-241]
------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
73.99
23%
-151
- C2 -
3OE9
1
CXCR4_HUMAN (first)
A:
[38-236]
---------------------------------
C
F
R
-----
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
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
G
Y
Y
T
I
G
I
G
H
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
73.57
18%
-92
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
----
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
---
P
W
Q
F
S
M
L
----
A
-
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
-
V
T
V
Q
H
K
K
L
-
R
-
T
P
L
-
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
-
G
G
F
T
T
T
L
Y
-
T
S
L
H
-
G
-
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
F
R
F
G
E
N
H
A
I
M
G
V
A
F
-
T
W
V
M
A
L
A
C
A
A
P
P
L
----
V
GW
S
R
Y
I
P
E
GMQC
S
C
G
I
DY
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
VFTVKEAAAQQQESA
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
QGSDFG
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
CGKNPLGDDEA
S
T
T
V
S
K
TETSQVAPA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------