@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 : GPR4_HUMAN: (2016-01-10 )
MGNHTWEGCHVDSRVDHLFPPSLYIFVIGVGLPTNCLALWAAYRQVQQRNELGVYLMNLSIADLLYICTLPLWVDYFLHHDNWIHGPGSCKLFGFIFYTNIYISIAFLCCISVDRYLAVAHPLRFARLRRVKTAVAVSSVVWATELGANSAPLFHDELFRDRYNHTFCFEKFPMEGWVAWMNLYRVFVGFLFPWALMLLSYRGILRAVRGSVSTERQEKAKIKRLALSLIAIVLVCFAPYHVLLLSRSAIYLGRPWDCGFEERVFSAYHSSLAFTSLNCVADPILYCLVNEGARSDVAKALHNLLRFLASDKPQEMANASLTLETPLTSKRNSTAKAMTGSWAATPPSQGDQVQLKMLPPAQ
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)
MGNHTWEGC---H--V-------------DSR
V
D
HLFPP
S
L
Y
-------
I
F
V
I
GVGL
P
T
N
C
L
A
L
W
A
A
Y
R
Q
V
Q
Q
RNEL
G
V
Y
L
MNL
S
I
A
D
L
L
Y
I
C
T
--
L
P
L
W
-
V
D
Y
F
L
HHDNWIHGPGS
C
K
L
F
G
F
I
F
Y
T
N
I
Y
I
S
I
A
F
L
C
C
I
S
V
D
R
Y
L
A
V
A
H
P
L
R
-
F
A
R
L
R
R
V
K
T
A
V
A
V
S
S
V
V
W
--
A
TELGANSAPL
F
H
D
E
L
F
R
D
RYNH
T
F
C
F-------EKF
P
M
E
G
---
W
---
V
--
A
W
M
--
N
---
L
Y
R
V
F
V
---
G
F
L
F
--
P
-------
W
A
L
M
L
L
S
Y
------
R
G
I
L
R
A
-----------
V
R---------------------------------------------G--------------------------------SV-
S
------
T
------------------
E
R
-----------------------------------------
Q
E
K
A
K
--
I
K
----
R
L
A
L
S
L
I
A
I
---
V
L
V
C
FA----
P
Y
H
V
L
--
L
L
SR
S
A
I
Y
LG-R-PW---DC
G
---------
F
E
E
R
V
F
S
--
A
Y
H
S
-------
S
L
A
F
T
S
L
N
C
V
A
D
P
I
L
Y
C
L
V-----NEGA
R
S
D
V
A
K
A
L
H
N
L
L
R
F
L
ASD
K
P
Q
E
MAN
A
----
S
L
T
L
ETPLTSKRNSTAKAMTGSWAAT-PPSQG
D
Q
V
Q
L
K
MLPPAQ------------------------------------------------------------------------------------
39
Fugue
92.21
30%
-132
- C1 -
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
87.29
27%
-137
- C1 -
4XNW
2
RUBR_CLOPA
A:
[54-382]
--------------------------------------
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
T
V
C
---------------------------------------------
G
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLC
G
V
-
G
------
K
------------------
D
Q
-----------------------------------------
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
SY
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
87.20
27%
-139
- C1 -
4XNV
15
P2RY1_HUMAN
A:
[54-382]
--------------------------------------
P
A
V
Y
-------
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
Y
V
L
T
--
L
P
A
L
-
I
F
Y
Y
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
-
K
S
L
G
R
L
K
K
-
K
N
A
I
C
I
S
V
L
V
W
--
L
I
V
V
V
A
I
S
P
I
L
F
Y
S
G
T
G
V
R
K
N
K
T
I
T
C
Y
-------
D
T
T
S
D
E
Y
---
L
---
R
--
S
Y
F
I
Y
S
---
M
C
T
T
V
A
---
M
F
C
V
--
P
-------
L
V
L
I
L
G
C
Y
------
G
L
I
V
R
A
L
I
Y
K
M
K
K
Y
T
C
T
V
C
---------------------------------------------
G
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLC----
G
V
-
G
------
K
------------------
D
Q
-----------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
85.50
26%
-112
- C1 -
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
HSGSN
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
GIG
H
L
L
T
K
S
----
P
S
L
N
A
--
A
K
S
E
L
D
K
A
I
G
-
R
-
N
T
---
N
G
V
IT
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
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
T
G
T
W
D
A
Y
G
S
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
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-
10
PsiBlast_PDB
80.67
22%
-140
- C1 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-359]
-------
P
C
QKI
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGV
G
--------------------------------
K
D
-
Q
------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
79.40
27%
-129
- C1 -
4RWD
6
C562_ECOLX (first)
A:
[127-397]
---------------------------------------
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
---
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
------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
78.94
27%
-134
- C1 -
4RWA
2
C562_ECOLX (first)
A:
[127-397]
---------------------------------------
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
LL-----------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
78.87
21%
-111
- C1 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
---
Y
--
V
PFSNKTGVVRSPF
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
G
W
S
R
Y
I
P
E
G
M
Q
C
S
C
G
I
DYYTPH
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
EA-------------------------------------------
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
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
-------------------------------------------------------------------------------------
3
PsiBlast_PDB
77.37
27%
-128
- C1 -
4N6H
22
OPRD_HUMAN
A:
[130-400]
---------------------------------------
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
---
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
-------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
74.76
27%
-123
- C1 -
4EA3
3
C562_ECOLX (first)
A:
[130-402]
---------------------------------------
G
L
Y
-------
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
L
L
T
--
L
P
F
Q
G
T
D
I
L
L
G
F
--
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
--------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
A
I
M
G
S
A
Q
V
-
E
D
E
E
I
E
C
L
V
E
-------
I
P
T
P
Q
D
Y
---
W
---
G
--
P
V
F
--
A
---
I
C
I
F
L
F
---
S
F
I
V
--
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
------
R
G
V
-
R
L
-----------
L
S
---------------------------------------------
G
--------------------------------
S
R
-
E
------
K
------------------
D
R
-----------------------------------------
N
L
R
-
R
--
I
T
----
R
L
V
L
V
V
V
A
V
---
F
V
G
C
W
T
----
P
V
Q
V
F
--
V
L
A
Q
G
---
L
G
V
Q
-
P
S
----------------
S
E
T
A
V
A
--
I
L
R
F
-------
C
T
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
-----
D
E
N
F
K
A
C
F
R
---------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
74.12
28%
-128
- C1 -
5C1M
7
?
A:
[22-293]
---------------------------------------
A
L
Y
-------
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
V
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
T
--
L
P
F
Q
S
V
N
Y
L
M
--
G
T
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
-
A
L
D
F
R
T
P
R
N
A
K
I
V
N
V
C
N
W
--
I
L
S
-
S
A
I
G
L
P
V
M
F
M
A
T
T
K
Y
R
Q
G
S
I
D
C
T
-------
L
T
F
S
H
P
T
---
W
------
Y
W
E
--
N
---
L
L
K
I
C
V
F
I
F
A
F
I
M
--
P
V
L
I
I
T
V
C
Y
G
L
M
I
L
R
L
------
K
S
V
-
R
M
-----------
L
S
---------------------------------------------
G
--------------------------------
S
K
-
E
------
K
------------------
D
R
-----------------------------------------
N
L
R
-
R
--
I
T
----
R
M
V
L
V
V
V
A
V
---
F
I
V
C
W
T
----
P
I
H
I
Y
--
V
I
I
K
A
L
I
T
I
----------------------
P
E
T
T
F
Q
T
V
S
W
H
F
-------
C
I
A
L
G
Y
T
N
S
C
L
N
P
V
L
Y
A
F
L
-----
D
E
N
F
K
R
C
F
----------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
73.66
21%
-87
- C1 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
P
N
F
---
Y
--
V
PFSNKTGVVRSPF
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
G
W
S
R
Y
I
P
E
G
M
Q
C
S
C
G
I
DYYTPH
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
QQQESA
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
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
-
P
A
---------------------------------------------------------------------------------------------------
28
HHSearch
69.16
17%
-116
- C1 -
2Z73
5
OPSD_TODPA
A:
[35-335]
-----------------------------------
Y
S
L
G
I
F
I
-------
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
-
T
I
S
-
C
F
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
-
A
S
K
K
M
S
H
R
R
A
F
I
M
I
I
F
V
W
--
L
W
S
V
L
W
A
I
G
P
I
F
G
W
G
A
Y
T
L
E
G
V
L
C
N
C
S
-------
F
D
Y
I
S
R
D
---
S
T
--
T
--
R
S
N
--
I
---
L
C
M
F
I
L
---
G
F
F
G
--
P
-------
I
L
I
I
F
F
C
Y
------
F
N
I
V
M
S
-----------
V
S
---------------------------------------------
N
--------------------------------
H
E
-
K
------
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
-----------------------------------------
N
A
E
M
R
--
L
A
----
K
I
S
I
V
I
V
S
Q
---
F
L
L
S
W
S
----
P
Y
A
V
V
--
A
L
L
A
Q
F
G
P
L
---------
E
-------------
W
V
T
P
Y
--
A
A
Q
L
-------
P
V
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
-----
H
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
----
D
A
E
T
E
I
P
A
G
E
----------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
68.89
27%
-141
- C1 -
4XT1
13
US28_HCMVA
A:
[70-314]
--------------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
68.55
25%
-117
- C1 -
2LNL
-
CXCR1_HUMAN
A:
[38-321]
---------------------------------
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
AK-
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
--------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
68.25
18%
-126
- C1 -
2KS9
1
NK1R_HUMAN
A:
[35-323]
-------------------------------------
W
A
A
A
Y
-------
T
V
I
V
V
T
S
V
V
G
N
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
N
-
F
T
Y
-
A
V
H
N
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
-
P
R
L
S
A
--
T
A
T
K
V
V
I
C
V
I
W
--
V
L
A
L
L
L
A
F
-
P
Q
G
Y
Y
S
T
T
E
T
M
P
S
R
V
V
C
M
-------
I
E
W
P
E
H
P
---
N
KIY
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
------
P
GDSSDRYH
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
------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
65.76
27%
-135
- C1 -
4XT3
2
US28_HCMVA
A:
[70-314]
--------------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
65.12
19%
-105
- C1 -
1U19
14
OPSD_BOVIN
A:
[42-323]
------------------------------------
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
G
W
S
R
Y
I
P
E
G
M
Q
C
S
C
G
-------
I
D
Y
Y
T
P
H
EET
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
------
Q
QQESA
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
L
G
D
D
E
A
S
T
T
V
S
K
----
T
E
T
S
Q
V
A
P
A
-----------------------------------------------------------------------------------------------------------------------
45
Fugue
62.82
14%
-96
- C1 -
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
H
W
Y
R
A
T
H
Q
E
A
I
N
C
Y
-------
A
E
E
T
C
C
D
---
F
---
F
TN
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
I
G
----
I
G
H
L
L
--
T
K
S
P
S
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
T
G
T
WDAYKFCL
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
23
HHSearch
60.68
28%
-131
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-239]
----------------------------------
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
T
K
S
P
S
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
------------------------------------------------------------------------------------