@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 : CXCR1_HUMAN: (2016-01-09 )
MSNITDPQMWDFDDLNFTGMPPADEDYSPCMLETETLNKYVVIIAYALVFLLSLLGNSLVMLVILYSRVGRSVTDVYLLNLALADLLFALTLPIWAASKVNGWIFGTFLCKVVSLLKEVNFYSGILLLACISVDRYLAIVHATRTLTQKRHLVKFVCLGCWGLSMNLSLPFFLFRQAYHPNNSSPVCYEVLGNDTAKWRMVLRILPHTFGFIVPLFVMLFCYGFTLRTLFKAHMGQKHRAMRVIFAVVLIFLLCWLPYNLVLLADTLMRTQVIQESCERRNNIGRALDATEILGFLHSCLNPIIYAFIGQNFRHGFLKILAMHGLVSKEFLARHRVTSYTSSSVNVSSNL
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---------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSNITDPQMWDFDDLNFTGMPPADEDYSP
C
M
L
-
E
T
E
TLN--
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
VGRS
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
L
--
T
-
L
P
--IWAASK--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
GC---WGLSMNLS
L
P
F
F
L
-
F
----
R
Q
AYHP--NNSS
P
V
C
Y
-
E
VLGND
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--------------------------------------------------------------------------------------------------------------------------------------------------------------------GQ-----
K
H
----------
R
A
M
R
V
I
----
F
A
V
V
L
I
F
L
L
----
C
W
LP
Y
N
L
V
L
L
A
D
T
L
M
R
T
Q
V
-
I
Q
E
S
-
C
E
R
RNN-IGR----AL
D
A
T
E
I
L
G
F
L
H
S
C
L
N
P
I
I
Y
A
F
I
G----QN
F
R
H
G
F
--
L
K
I
L
A
M
HG
L
V
S
K
----------
E
F
L
A
R
H
RVTSYTSS
S
V
NVSSNL-----------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
87.20
100%
-144
- C1 -
2LNL
-
CXCR1_HUMAN
A:
[29-324]
----------------------------
P
C
M
L
-
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
85.88
100%
-144
- C1 -
2LNL
-
CXCR1_HUMAN
A:
[35-323]
-----------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
81.81
38%
-157
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-495]
------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
79.52
26%
-154
- 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
TD
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
K
S
L
G
R
----
L
-
K
K
K
N
A
-
I
C
---
I
S
V
L
V
---
W
L
I
V
V
V
A
I
S
P
I
L
F
-
Y
----
S
G
T
G
V
R
--
K
N
K
T
I
T
C
Y
-
D
T
T
S
D
E
Y
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
-------
Y
G
L
I
V
R
A
L
--------------------------------
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVG
K
----------------------------------------------------
D
-----
Q
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
78.71
23%
-156
- C1 -
4XNV
15
P2RY1_HUMAN (first)
A:
[41-381]
-----------------------------
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
PEDGDPDNGVNPGTD
F
-------------------------------------------
K
DIVCPL----------------------------------------------
C
-----
G
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
K
-----
D
Q
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
76.89
30%
-162
- C1 -
4MBS
8
CCR5_HUMAN (first)
A:
[39-366]
-------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
76.71
30%
-164
- C1 -
4RWD
6
C562_ECOLX (first)
A:
[129-405]
-------------------------------------------------
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
LSGS----------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
-----
K
D
----------
R
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
----
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
--------
D
-
I
D
R
R
D
P
L
V
V
A
----
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
----
E
N
F
K
R
C
F
--
R
Q
L
C
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
76.69
31%
-157
- C1 -
5C1M
7
?
A:
[11-296]
---------------------------
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
LS------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
76.48
30%
-164
- C1 -
4RWA
2
C562_ECOLX (first)
A:
[129-405]
-------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
75.64
33%
-164
- C1 -
4XT3
2
US28_HCMVA
A:
[26-315]
------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
75.33
33%
-162
- C1 -
4EA3
3
C562_ECOLX (first)
A:
[125-405]
-----------------------------------------
K
V
T
I
V
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
LSGS----------------------------------------------------------------------------------------------------------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
75.15
24%
-150
- C1 -
2RH1
16
ADRB2_HUMAN (first)
A:
[41-477]
------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
75.07
30%
-159
- C1 -
4N6H
23
C562_ECOLX (first)
A:
[113-408]
---------------------------
S
P
G
A
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
-----
R
L
LSGS----------------------------------------------------------------------------------------------------------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
74.16
33%
-161
- C1 -
4EA3
3
C562_ECOLX (first)
B:
[125-407]
-----------------------------------------
K
V
T
I
V
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
I
R
A
L
D
V
---
R
-
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
--------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
K
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
73.93
23%
-151
- C1 -
4XNW
2
RUBR_CLOPA
A:
[41-381]
-----------------------------
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
PEDGDPDNGVNPGTD
F
-------------------------------------------
K
DIPDDWVCPL------------------------------------------
C
-----
G
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
K
-----
D
Q
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
72.48
27%
-155
- C1 -
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
71.27
23%
-155
- C1 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
------------------------------------------
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
VR
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
71.06
29%
-139
- 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
-------------------------------------------
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
NTNG
V
I
T
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
MG
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
48
Fugue
71.02
17%
-107
- C1 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
-
E
P
W
Q
F
S
--
M
L
A
A
Y
M
F
-
L
L
I
--
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
GG
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
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
AASAT
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
-----------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
70.78
27%
-153
- C1 -
2VT4
8
ADRB1_MELGA
A:
[19-298]
--------------------------------------------------
A
L
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L-
V
-
V
P
--
F
G
A
T
L
V
--
V
-
R
G
T-
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
---
M
-
T
R
A
R
A
-
K
V
---
I
I
C
T
V
---
W
A
I
S
A
L
V
S
F
L
P
I
M
-
M
----
H
W
W
R
D
E
--
D
P
Q
A
L
K
C
Y
-
Q
D
P
G
C
C
D
F
V
T
N
R
A
Y
A
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
A
K
E
Q
I
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
H
----------
K
A
L
K
T
L
----
G
I
I
M
G
V
F
T
L
----
C
W
L
P
F
F
L
V
N
I
V
N
V
F
N
R
D
L
V
-
P
D
W
----------------
L
F
V
A
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
R
-
S
----
P
D
F
R
K
A
F
--
K
R
L
L
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------