@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 : CCR8_HUMAN: (2016-01-09 )
MDYTLDLSVTTVTDYYYPDIFSSPCDAELIQTNGKLLLAVFYCLLFVFSLLGNSLVILVLVVCKKLRSITDVYLLNLALSDLLFVFSFPFQTYYLLDQWVFGTVMCKVVSGFYYIGFYSSMFFITLMSVDRYLAVVHAVYALKVRTIRMGTTLCLAVWLTAIMATIPLLVFYQVASEDGVLQCYSFYNQQTLKWKIFTNFKMNILGLLIPFTIFMFCYIKILHQLKRCQNHNKTKAIRLVLIVVIASLLFWVPFNVVLFLTSLHSMHILDGCSISQQLTYATHVTEIISFTHCCVNPVIYAFVGEKFKKHLSEIFQKSCSQIFNYLGRQMPRESCEKSSSCQQHSSRSSSVDYIL
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)
M
D
Y
T
L
D
L
S
V
T
T
V
TDYYYP-----DIFSSPC
D
---
A
E
---
L
I
QTNG
K
L
L
L
A
V
F
Y
C
L
L
F
V
F
S
L
LG
N
S
L
V
I
L
V
L
V
V
C
K
K
L
R
S
I
T
D
V
Y
L
L
N
L
A
L
S
D
L
L
F
V
F
-S--FP
F
Q
-
T
Y
-
Y
L
--
L
D
Q
--
W
V
F
G
T
V
M
C
K
V
V
S
G
F
Y
Y
I
G
F
Y
S
S
M
F
F
I
T
L
M
S
V
D
R
Y
L
A
V
V
H
A
V
Y
A
L
K
V
---
R
T
I
RM
G
T
T
L
C
L
A
V
W
L
T
A
I
M
A
T
I
P
L
L
V
F
Y
QV-A-S---ED
G
V
L
Q
C
-
Y
S
-
F
YNQQ
T
L
K
W
K
I
F
TNF
K
M
N
I
L
G
-
L
L
I
P
F
T
I
F
M
F
C
Y
--------
I
K
I
L
H
----------------------------------------------------
Q
L
------------------------------------------------
K
--------
R
---------
C
-----Q------------------------------------------------------------------------------------------------------------------------------------------------------------------N--------------------------------------------------------------------------------------------------------------------------------------------------------------------H----------------------------------------------------NKT
K
A
I
R
L
---
V
L
I
V
V
I
A
S
L
L
F
W
V
P
F
N
V
--
V
--
L
F
L
T
S
L
H
S
M
H
-IL-DGC
S
I
S
Q
Q
L
T
Y
A
T
---
H
----
V
T
E
I
I
S
F
T
H
C
C
V
N
P
V
I
Y
A
F
V
G
----
E
K
F
K
K
H
L
S
E
I
F
Q
K
S
C
S
Q
I
F
N
Y
L
G
R
QM
P
R
E
S
C
EKSS
S
C
Q
QHSSRSSSVDYIL-------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
90.68
35%
-176
- C2 -
4MBS
7
CCR5_HUMAN (first)
B:
[21-366]
----------------------------
P
C
Q
---
K
I
---
N
V
K
Q
I
A
A
R
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
L
L
-
T
--
V
P
F
W
-
A
H
-
Y
A
--
A
A
Q
--
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
I
I
F
T
R
S
-
Q
-
K
---
E
G
L
H
Y
T
C
-
S
S
H
F
P
Y
S
Q
Y
Q
F
W
K
N
F
Q
T
L
K
I
V
I
L
G
-
L
V
L
P
L
L
V
M
V
I
C
Y
--------
S
G
I
L
K
----------------------------------------------------
T
L
------------------------------------------------
L
--------
R
---------
M
-----
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
TCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQFEEVEEEK
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
90.40
35%
-176
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-366]
----------------------------
P
C
Q
---
K
I
---
N
V
K
Q
I
A
A
R
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
L
L
-
T
--
V
P
F
W
-
A
H
-
Y
A
--
A
A
Q
--
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
I
I
F
T
R
S
-
Q
-
K
---
E
G
L
H
Y
T
C
-
S
S
H
F
P
Y
S
Q
Y
Q
F
W
K
N
F
Q
T
L
K
I
V
I
L
G
-
L
V
L
P
L
L
V
M
V
I
C
Y
--------
S
G
I
L
K
----------------------------------------------------
T
L
------------------------------------------------
L
--------
R
---------
M
-----
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
F
E
E
V
E
E
EK
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
86.92
33%
-165
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-496]
----------------------------
P
C
F
---
R
E
---
E
N
A
N
F
N
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
I
-
T
--
L
P
F
W
-
A
V
-
D
A
--
V
A
N
--
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
A
N
V
-
S
-
E
---
A
D
D
R
Y
I
C
-
D
R
-
F
Y
P
N
D
L
--
W
V
V
V
F
Q
F
Q
H
I
M
V
G
-
L
I
L
P
G
I
V
I
L
S
C
Y
--------
C
I
I
I
S
----------------------------------------------------
K
L
------------------------------------------------
S
--------
H
---------
S
-----
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
----------------------------------------------------
Q
K
R
K
A
L
K
T
---
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
--
G
--
I
S
I
D
S
F
I
L
L
E
-
I
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
---
S
----
I
T
E
A
L
A
F
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
----
A
K
F
K
T
S
A
Q
H
A
L
T
S
G
R
P
L
E
V
L
F
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
80.00
28%
-170
- C2 -
4XT1
15
US28_HCMVA
A:
[25-318]
-----------------------
D
E
D
A
T
P
C
V
---
F
T
---
D
V
L
N
Q
S
K
P
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
--
L
P
L
W
-
M
Q
-
Y
L
--
L
D
-------
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
----
M
R
Y
---
R
P
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
H
--
F
M
V
V
-
T
-
K
---
K
D
N
--
Q
C
-
M
T
-
D
Y
D
Y
L
E
V
S
Y
P
I
I
L
N
V
E
L
M
L
G
A
-
F
V
I
P
L
S
V
I
S
Y
C
Y
--------
Y
R
I
S
R
----------------------------------------------------
I
V
------------------------------------------------
A
--------
V
---------
S
-----
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
----------------------------------------------------
H
K
G
R
I
V
R
V
---
L
I
A
V
V
L
V
F
I
I
F
W
L
P
Y
H
L
--
T
--
L
F
V
D
T
L
K
L
L
K
W
I
S
-
S
S
C
E
F
E
R
S
L
K
R
A
L
---
I
----
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
----
T
K
F
R
Q
E
L
H
C
L
L
A
E
F
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
79.98
28%
-164
- C2 -
4XT3
2
US28_HCMVA
A:
[26-316]
------------------------
E
D
A
T
P
C
V
---
F
T
---
D
V
L
N
Q
S
K
P
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
--
L
P
L
W
-
M
Q
-
Y
L
--
L
D
H
-----
A
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
----
M
R
Y
---
R
P
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
H
--
F
M
V
V
-
T
-
K
---
K
D
N
--
Q
C
-
M
T
-
D
Y
D
Y
L
E
V
S
Y
P
I
I
L
N
V
E
L
M
L
G
A
-
F
V
I
P
L
S
V
I
S
Y
C
Y
--------
Y
R
I
S
R
----------------------------------------------------
I
V
------------------------------------------------
A
--------
V
---------
S
-----
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
----------------------------------------------------
H
K
G
R
I
V
R
V
---
L
I
A
V
V
L
V
F
I
I
F
W
L
P
Y
H
L
--
T
--
L
F
V
D
T
L
K
L
L
K
W
I
S
-
S
S
C
E
F
E
R
S
L
K
R
A
L
---
I
----
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
F
V
G
----
T
K
F
R
Q
E
L
H
C
L
L
A
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
79.44
26%
-158
- 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
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
77.40
29%
-177
- C2 -
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
GVRLLSGS
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
77.30
28%
-173
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[123-406]
----------------------------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
77.23
28%
-168
- C2 -
4RWD
7
C562_ECOLX (first)
A:
[123-406]
----------------------------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
75.63
28%
-166
- C2 -
4N6H
23
C562_ECOLX (first)
A:
[126-414]
----------------------------------------------
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
75.60
24%
-163
- C2 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
------------------------------------------------
Y
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
--
M
P
W
V
-
V
Y
-
L
E
V
T
G
G
V
--
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
L
L
F
G
F
N
T
-
T
------
G
D
P
T
V
C
-
S
I
-
S
N
P
--------
D
F
V
I
Y
S
S
V
V
S
-
F
Y
L
P
F
G
V
T
V
L
V
Y
--------
A
R
I
Y
V
----------------------------------------------------
V
L
------------------------------------------------
K
--------
Q
---------
R
-----
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
K
N
I
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAYGVP
L
----------------------------------------------------
R
E
K
K
A
T
Q
M
---
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
--
T
--
H
V
L
N
T
H
C
Q
T
C
-------
H
---
V
S
P
E
L
Y
---
S
----
A
T
T
W
L
G
Y
V
N
S
A
L
N
P
V
I
Y
T
T
F
N
----
I
E
F
R
K
A
F
L
K
I
L
S
C
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
75.47
24%
-149
- C2 -
2Z73
5
OPSD_TODPA
A:
[32-334]
-------------------------------------------
A
V
Y
Y
S
L
G
I
F
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
-
V
N
G
F
P
L
M
-
T
I
-
S
C
F
-
L
K
K
--
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
G
W
G
A
-
Y
-
T
L
--
E
G
V
L
C
N
C
-
S
F
-
D
Y
I
S
R
D
S
-
T
T
R
S
N
I
L
C
M
F
I
L
G
-
F
F
G
P
I
L
I
I
F
F
C
Y
--------
F
N
I
V
M
----------------------------------------------------
S
V
------------------------------------------------
S
--------
N
---------
H
-----
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
---------------------------------------------------------------------------------------------------------------------------------------------
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----------------------------------------------------
A
E
M
R
L
A
K
I
---
S
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
--
V
--
A
L
L
A
Q
F
G
P
L
E
----------
W
V
T
P
Y
A
A
---
Q
----
L
P
V
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
----
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
-------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
74.75
22%
-161
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[53-382]
------------------------------------------------
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
PEDGDPDNGVNPGTDFKDIVCPLCGVGKD----
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
74.64
22%
-161
- C2 -
4XNW
2
RUBR_CLOPA
A:
[53-382]
------------------------------------------------
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
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKD
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
74.40
21%
-162
- C2 -
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
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
TGTWDAYPP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
74.02
29%
-169
- C2 -
5C1M
7
?
A:
[24-294]
----------------------------------------------------
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
VRMLSGS
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
73.49
25%
-126
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
----------------------------
P
C
F
---
R
E
---
E
N
A
N
F
N
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
I
-
T
--
L
P
F
W
-
A
V
-
D
A
--
V
A
N
--
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
A
N
V
-
S
-
E
---
A
D
D
R
Y
I
C
-
D
R
-
F
Y
P
N
--
D
L
W
V
V
V
F
Q
F
Q
H
I
M
V
G
-
L
I
L
P
G
I
V
I
L
S
C
Y
--------
C
I
I
I
S
----------------------------------------------------
K
L
------------------------------------------------
S
--------
H
---------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
----------------------------------------------------
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
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
GVIT
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
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
47
Fugue
72.75
21%
-128
- 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
R
S
P
F
E
APQ
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
GY
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
-----------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
71.84
36%
-143
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[29-319]
----------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
70.70
22%
-116
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
------
M
N
G
T
E
G
P
N
F
Y
V
P
FSNKT
G
V
V
R
S
P
F
E
---
A
P
QYY
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
GY
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
AAAQQQESA
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
-----------------------------------------------------------------------------------------------------------------------------------