@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 : OR6Y1_HUMAN: (2016-01-14 )
MTTIILEVDNHTVTTRFILLGFPTRPAFQLLFFSIFLATYLLTLLENLLIILAIHSDGQLHKPMYFFLSHLSFLEMWYVTVISPKMLVDFLSHDKSISFNGCMTQLYFFVTFVCTEYILLAIMAFDRYVAICNPLRYPVIMTNQLCGTLAGGCWFCGLMTAMIKMVFIAQLHYCGMPQINHYFCDISPLLNVSCEDASQAEMVDFFLALMVIAIPLCVVVASYAAILATILRIPSAQGRQKAFSTCASHLTVVILFYSMTLFTYARPKLMYAYNSNKVVSVLYTVIVPLLNPIIYCLRNHEVKAALRKTIHCRGSGPQGNGAFSS
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...--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------
M
T
T
I
I
L
EVDN
H
T
V
T
T
R
F
I
L
-
L
GFPT
R
P
A
F
Q
L
L
F
F
S
I
F
L
-
A
T
Y
L
L
T
L
L
E
N
L
L
I
I
L
A
IHSDGQL
H
K
P
M
Y
F
F
L
S
H
L
S
F
L
E
M
W
Y
V
TVI-
S
P
K
M
L
V
D
F
L
SHDKSIS
F
N
--------
G
C
M
T
Q
L
Y
F
F
V
T
F
V
C
T
E
Y
I
L
--
L
A
I
M
A
F
D
R
Y
V
A
I
CNPLRY
P
V
I
M
T
N
Q
L
C
G
T
LA
G
G
C
W
F
C
G
L
M
T
A
M
I
K
M
V
F
I
A
Q
L
HYCGMPQI
N
--
H
Y
F
CDI
S
P
L
L
-----
N
VSC-------E-----D-------A
S
Q
A
E
M
V
D
F
F
L
A
L
M
V
I
--
A
I
P
L
C
V
V
V
A
S
Y
A
A
I
L
A
T
I
L
R---------IPSA-----------Q--------------------
G
----
R
---
Q
K
A
F
----
S
T
C
A
S
H
L
T
V
V
I
L
F
-------
Y
S
M
T
L
F
TY-AR
P
K
L
M
-------
Y
---
A
---YN-S--N
K
-------
V
V
S
V
L
Y
T
V
I
V
P
L
------
L
N
P
I
I
Y
C
LRN
H
E
V
K
A
A
L
R
K
T
I
H
CRGSGPQGNGAFSS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
92.05
21%
-170
- C4 -
3REY
1
AA2AR_HUMAN
A:
[8-304]
--------------------------------------
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
L
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
A
Q
S
S
I
F
S
--
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
A
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
P
----------
G
C
G
E
G
-----
Q
V
A
C
L
F
-----
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
A
A
A
R
R
Q
L
K
Q
M
E
S
QP
L
P
G
E
-----------
R
--------------------
A
----
R
S
T
L
Q
K
E
V
----
H
A
A
K
S
A
A
I
I
A
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
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
91.99
21%
-167
- C4 -
3PWH
1
?
A:
[8-304]
--------------------------------------
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
L
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
A
Q
S
S
I
F
S
--
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
A
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
P
----------
G
C
G
E
G
-----
Q
V
A
C
LF-----
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
A
A
A
R
R
Q
L
K
Q
M
E
S
QP
L
P
G
E
-----------
R
--------------------
A
----
R
S
T
L
Q
K
E
V
----
H
A
A
K
S
A
A
I
I
A
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
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
91.81
21%
-169
- C4 -
3UZA
1
AA2AR_HUMAN
A:
[8-304]
--------------------------------------
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
L
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
A
Q
S
S
I
F
S
--
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
A
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
P
----------
G
C
G
E
G
-----
Q
V
A
C
L
F
-----
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
A
A
A
R
R
Q
L
K
Q
M
E
S
QP
L
P
G
E
-----------
R
--------------------
A
----
R
S
T
L
Q
K
E
V
----
H
A
A
K
S
A
A
I
I
A
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
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
91.75
21%
-168
- C4 -
3RFM
1
AA2AR_HUMAN
A:
[8-304]
--------------------------------------
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
L
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
A
Q
S
S
I
F
S
--
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
A
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
P
----------
G
C
G
E
G
-----
Q
V
A
C
L
F
-----
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
A
A
A
R
R
Q
L
K
Q
M
E
S
QP
L
P
G
E
-----------
R
--------------------
A
----
R
S
T
L
Q
K
E
V
----
H
A
A
K
S
A
A
I
I
A
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
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
91.30
21%
-170
- C4 -
3UZC
1
AA2AR_HUMAN
A:
[8-304]
--------------------------------------
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
L
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
A
Q
S
S
I
F
S
--
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
A
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
P
----------
G
C
G
E
G
-----
Q
V
A
C
L
F
-----
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
A
A
A
R
R
Q
L
K
Q
M
E
S
QP
L
P
G
E
-----------
R
--------------------
A
----
R
S
T
L
Q
K
E
V
----
H
A
A
K
S
A
A
I
I
A
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
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
90.37
21%
-159
- C4 -
4UHR
1
AA2AR_HUMAN
A:
[8-304]
--------------------------------------
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
A
A
-
A
A
D
I
L
V
G
V
L
A
I
P
F
A
I
A
I
S
TGFCAA
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
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
P
K
E
G
--
K
A
---
G
C
G
E
G
-----
Q
V
A
C
LF-----
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
K
Q
M
E
S
QP
L
P
G
E
-----------
R
--------------------
A
----
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
--------
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
Q
E
P
F
K
A
A
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
89.55
21%
-160
- C4 -
2YDV
6
?
A:
[8-304]
--------------------------------------
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
A
A
-
A
A
D
I
L
V
G
V
L
A
I
P
F
A
I
A
I
S
T
GFCAA
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
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
P
K
E
G
--
K
A
H
S
Q
G
C
G
E
G
-----
Q
V
A
C
LF-----
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
K
Q
M
ESQ-------------------------------------------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
Q
E
P
F
K
A
A
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
89.03
21%
-165
- C4 -
3VGA
1
AA2AR_HUMAN
A:
[8-304]
--------------------------------------
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
C
L
F
-----
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
K
Q
M
E
S
Q
P
L
P
G
E
-----------
R
--------------------
A
----
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
88.74
21%
-174
- C4 -
3VG9
8
?
A:
[8-304]
--------------------------------------
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
C
L
F
-----
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
K
Q
M
E
S
Q
P
L
P
G
E
-----------
R
--------------------
A
----
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
88.36
21%
-162
- C4 -
4UG2
3
?
A:
[8-304]
--------------------------------------
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
A
A
-
A
A
D
I
L
V
G
V
L
A
I
P
F
A
I
A
I
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
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
P
K
E
G
--
K
A
H
S
Q
G
C
G
E
G
-----
Q
V
A
C
LF-----
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-------------------------------------------
A
----
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
87.56
21%
-156
- C4 -
2YDO
3
?
A:
[8-304]
--------------------------------------
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
A
A
-
A
A
D
I
L
V
G
V
L
A
I
P
F
A
I
A
I
S
T
GFCAA
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
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
P
K
E
G
--
K
A
H
S
Q
G
C
G
E
G
-----
Q
V
A
C
LF-----
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
K
Q
M
E
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
Q
E
P
F
K
A
A
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
83.94
15%
-158
* C4 *
2KS9
1
NK1R_HUMAN
A:
[34-324]
--------------------------------------
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
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
LYL
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
81.49
17%
-140
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
-
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
--------
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
--
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
---------------
S
N
F
R
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
--
G
W
S
R
Y
I
P
E
G
M
-----
Q
C
S
C
G
I
DYYTP
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
ESA
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
DFGPIFM
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
TETSQVAPA-------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
79.32
15%
-145
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
-
P
Q
Y
Y
L
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
--------
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
--
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
--------------
S
N
F
R
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
W
S
R
Y
I
P
E
---
G
M
-----
Q
C
S
C
-------
G
I
DYYT
P
-------
H
E
E
T
N
N
E
S
F
V
I
Y
M
F
V
V
HF
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
DFGPIFM
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--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
77.83
19%
-164
- C4 -
2YCW
7
ADRB1_MELGA
A:
[23-295]
-------------------------------------------------
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
FVTN
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
75.27
13%
-160
- C4 -
2Z73
5
OPSD_TODPA
A:
[32-333]
----------------------------------
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
LEW
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
75.17
15%
-140
- C4 -
1U19
14
OPSD_BOVIN
A:
[40-328]
------------------------------------
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
QESA
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
SD-
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
75.17
19%
-167
- C4 -
2VT4
8
ADRB1_MELGA
A:
[23-295]
-------------------------------------------------
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
FVTN
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
NSA
M
N
P
I
I
Y
C
-
R
S
P
D
F
R
K
A
F
K
R
L
L
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
74.03
14%
-153
- C4 -
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
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
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
32
HHSearch
70.55
17%
-138
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[37-323]
----------------------------------
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
RTQVIQE
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------