@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 : GP141_HUMAN: (2016-01-10 )
MPGHNTSRNSSCDPIVTPHLISLYFIVLIGGLVGVISILFLLVKMNTRSVTTMAVINLVVVHSVFLLTVPFRLTYLIKKTWMFGLPFCKFVSAMLHIHMYLTFLFYVVILVTRYLIFFKCKDKVEFYRKLHAVAASAGMWTLVIVIVVPLVVSRYGIHEEYNEEHCFKFHKELAYTYVKIINYMIVIFVIAVAVILLVFQVFIIMLMVQKLRHSLLSHQEFWAQLKNLFFIGVILVCFLPYQFFRIYYLNVVTHSNACNSKVAFYNEIFLSVTAISCYDLLLFVFGGSHWFKQKIIGLWNCVLCR
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...-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------MPGHNTSRNSS-----------CDPI
V
T
P
H
L
I
S
L
Y
F
I
V
L
I
G
G
L
V
G
-
V
I
S
I
L
F
L
L
-
V
-K-MNT-RS---
V
T
T
M
A
V
I
N
L
V
V
V
H
S
V
F
L
-
L
-
T
V
P
F
R
L
T
Y
L
I
K
K
-
T
-
W
MFGL
P
F
C
K
F
V
S
A
M
L
H
I
H
M
Y
L
T
F
L
F
Y
V
V
I
L
V
T
R
Y
L
I
F
F
KCK
D
K
V
E
F
Y
R
K
L
H
A
V
A
ASAG
M
W
T
L
-
V
-
I
V
I
-
V
V
P
L
V
V
--
S
R
Y-GI-H-EE---------Y
N
E
E
H
C
F
-
K
--
F
---------
H
K
E
---
L
A
-
Y
-
T
Y
V
K
I
---
I
N
Y
M
I
V
I
-
F
V
I
A
V
A
V
I
L
L
V
F
-----
Q
V
F
I
I
M
L
M
V
Q
K
L
R
-----
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------
S
L
---------------------------------
L
S
H
Q
E
F
W
-----
A
Q
L
K
N
L
-
F
F
I
-
G
V
I
L
V
C
F
L
----
P
Y
Q
F
F
R
I
Y
Y
L
N
V
V
T-----HS--N--A---C---NS
K
V
A
F
Y
N
E
I
F
L
S
V
T
A
I
S
C
Y
D
L
L
L
F
V
FGG
S
H
W
F
K
Q
K
I
I
G
L
W
N
C
VLCR-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
85.27
19%
-202
- 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
PEDGDPDNGVNPGTDFKDIVCPLCG
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
DFQTP
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
84.20
18%
-178
- 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
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
AKLK
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
21
HHSearch
81.96
17%
-190
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-498]
----------------------------------
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
TGTWDAY
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
-----
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
78.61
23%
-220
- C2 -
2VT4
8
ADRB1_MELGA
A:
[17-258]
----------------------------------------
L
M
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
78.41
26%
-211
- C2 -
4GBR
1
ADRB2_HUMAN
A:
[11-233]
----------------------------------------
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
-
V
I
T
A
I
A
K
F
-
E
-
R
-
L
Q
T
-
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
----
G
L
-
A
-
V
V
P
F
G
A
A
H
I
L
T
K
-
T
-
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
L
T
K
N
K
A
R
V
I
I
L
M
V
W
I
V
-
S
G
L
T
S
-
F
L
P
I
Q
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
Q
K
I
D
-----
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------
F
C
---------------------------------
L
K
E
H
K
--------
A
L
K
T
L
-
G
I
I
M
G
T
F
T
L
C
W
L
----
P
F
F
I
V
N
I
V
H
V
I
Q
D
N
-----
L
I
--
R
--
K
---
E
---
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
R
S
P
D
F
R
I
A
F
Q
E
L
L
C
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
77.44
15%
-173
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFY
V
P
F
S
N
K
T
G
V
V
R
SPFEAPQYYL-
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
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
V
F
T
V
K
E
A
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
TTVSKTETS
Q
V
A
P
A-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
77.26
14%
-181
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
-------------------------------------
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
-
N
V
L
V
I
T
A
I
A
K
-
F
-
E
R
L
-
Q
T
---
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
-
V
V
P
F
G
A
A
H
I
L
M
K
-
M
-
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
L
T
K
N
K
A
R
V
I
I
L
M
V
W
I
V
-
S
-
G
L
T
-
S
F
L
P
I
Q
--
M
H
W
-
Y
R
-
A
-
T
H
---------
Q
E
A
I
N
C
Y
-
A
--
E
---------
E
T
C
---
C
D
-
F
-
F
T
N
Q
A
---
Y
A
I
A
S
S
I
-
V
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
--
R
V
F
Q
E
A
K
R
Q
L
N
I
F
-----
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDA--
Y
K
---------------------------------
F
C
L
K
E
H
K
-----
A
L
K
T
L
G
-
I
I
M
-
G
T
F
T
L
C
W
L
----
P
F
F
I
V
N
I
V
H
V
I
Q
D
N
-----
L
I
---------------
R
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
-
R
S
P
D
F
R
I
A
F
Q
E
L
L
C
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
77.18
23%
-213
- C2 -
2YCW
7
ADRB1_MELGA
A:
[17-258]
----------------------------------------
L
M
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
K
I
D
R
A
S
K
R
K
R
-----
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------
M
L
---------------------------------
M
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
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
77.07
23%
-209
- C2 -
2YCX
3
ADRB1_MELGA
A:
[17-258]
----------------------------------------
L
M
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
K
I
D
R
A
S
K
R
K
R
-----
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------
M
L
---------------------------------
M
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
73.18
12%
-172
- C2 -
2KS9
1
NK1R_HUMAN
A:
[33-324]
--------------------------------------
V
L
W
A
A
A
Y
T
V
I
V
V
T
S
V
V
G
-
N
V
V
V
M
W
I
I
L
A
-
H
-
K
R
M
-
R
T
---
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
A
F
-
N
T
V
V
N
F
T
Y
A
V
H
N
-
E
-
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
R
L
--
S
A
T
A
T
K
V
V
I
C
V
I
W
V
L
-
A
-
L
L
L
-
A
F
P
Q
G
Y
---
Y
S
-
T
T
-
E
-
T
M
---------
P
S
R
V
V
C
M
-
I
--
E
---------
W
P
E
---
H
P
-
N
K
I
Y
E
K
V
---
Y
H
I
C
V
T
V
-
L
I
Y
F
L
P
L
L
V
I
G
Y
A
Y
T
--
V
V
G
I
T
L
W
A
S
E
I
P
G
DSSDR
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------
H
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
72.15
15%
-182
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
---------------------------------------
P
L
V
V
V
L
S
T
I
C
L
V
T
V
G
L
-
N
L
L
V
L
Y
A
V
R
S
-
E
-
R
K
L
-
H
T
---
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
-
V
M
P
M
N
I
L
Y
L
L
M
S
-
K
-
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
K
Y
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
-
S
-
F
L
W
-
V
I
P
I
L
G
---
W
N
-
H
---------------
R
R
E
D
K
C
E
-
T
--
D
---------
F
Y
D
---
V
-------
T
W
---
F
K
V
M
T
A
I
-
I
N
F
Y
L
P
T
L
L
M
L
W
F
Y
A
--
K
I
Y
K
A
V
R
Q
H
C
N
I
F
-----
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDA--
Y
L
---------------------------------
H
M
N
R
E
R
K
-----
A
A
K
Q
L
G
-
F
I
M
-
A
A
F
I
L
C
W
I
----
P
Y
F
I
F
F
M
V
I
A
F
C
K
N
-----
C
C
--
N
-------------
E
H
L
H
M
F
T
I
W
L
G
Y
I
N
S
T
L
N
P
L
I
Y
P
L
C
N
E
N
F
K
K
T
F
K
R
I
L
H
I
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
70.87
19%
-208
- C2 -
5C1M
5
?
A:
[20-212]
----------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
70.38
13%
-178
- C2 -
3EML
13
ENLYS_BPT4
A:
[21-469]
-------------------------------------
S
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
-
N
V
L
V
C
W
A
V
W
L
-
N
-
S
N
L
-
Q
N
---
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
-
A
I
P
F
A
I
T
I
S
T
---
G
-
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
-
S
-
F
A
I
-
G
L
T
P
M
L
---
G
W
-
N
N
-
C
-
G
Q
-----------
S
Q
G
C
G
-
E
--
G
---------
Q
V
A
CLF
E
D
-
V
-
V
P
M
N
Y
---
M
V
Y
F
N
F
F
-
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
--
R
I
F
L
A
A
R
R
Q
L
N
I
F
-----
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
-
R
S
---------------------------------
T
L
Q
K
E
V
H
-----
A
A
K
S
L
A
-
I
I
V
-
G
L
F
A
L
C
W
L
----
P
L
H
I
I
N
C
F
T
F
F
C
P
D
-----
C
S
--
H
-----------
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
70.31
22%
-205
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[51-239]
----------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
69.82
14%
-157
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFY
V
P
F
S
N
K
T
G
V
V
R
SPFEAPQYYLA
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
G
MQC
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
V
F
T
V
-----
K
E
---
A
A
A
Q
Q
Q
E
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
LGDDEA
S
T
T
V
S
K
TETSQVAPA----------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
69.55
22%
-202
- C2 -
3OE8
1
CXCR4_HUMAN (first)
A:
[51-239]
----------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
69.43
19%
-151
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[36-322]
----------------------------------
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
QE
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
69.35
14%
-154
- C2 -
1U19
14
OPSD_BOVIN
A:
[37-326]
----------------------------------
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
--
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
A
A
Q
Q
-----
Q
ES-----------------------------------------------------------------------------------------------------------------------------------------------------------
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
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
68.81
21%
-202
- C2 -
4DJH
1
ENLYS_BPT4 (first)
A:
[19-221]
----------------------------------
P
A
I
P
V
I
I
T
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
68.18
12%
-175
- 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
H
W
-
Y
R
-
A
-
T
H
---------
Q
E
A
I
N
C
Y
-
A
--
E
ETCCDFFTN
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
MG
E
T
G
V
A
G
F
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CL-------------------------------------------