@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 : O14L1_HUMAN: (2016-01-11 )
MSPDTFLKGFAEFFLMGFSNSWDIQIVHAALFFLVYLAAVIGNLLIIILTTLDVHLQTPMYFFLRNLSFLDFCYISVTIPKSIVSSLTHDTSISFFGCALQAFFFMDLATTEVAILTVMSYDRYMAICRPLHYEVIINQGVCLRMMAMSWLSGVICGFMHVIATFSLPFCGRNRIRQFFCNIPQLLSLLDPKVITIEIGVMVFGTSLVIISFVVITLSYMYIFSVIMRIPSKEGRSKTFSTCIPHLVVVTLFMISGSIAYVKPISNSPPVLDVFLSAFYTVVPPTLNPVIYSLRNRDMKAALRRQCGP
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)
--------------M
S
P
D
T
-
F
L
K
G
F
-----
A
E
F
F
L
M----------GFSNSW
D
I
Q
I
V
---
H
A
A
L
F
F
---
L
V
Y
L
A
A
V
I
G
-
N
L
L
-
I
I
I
L
T
T
L
D
V
H
LQ
T
P
M
Y
F
F
L
RNL
S
F
L
D
F
C
Y
I
S
V
T-
I
P
K
S
I
V
S
S
L-THDTS----
I
S
F
F
G
C
----------------------
A
L
Q
A
F
F
F
M
DLAT
T
E
V
A
I
L
T
V
M--------SY
D
R
Y
M
-
A
I
CRP
L
-----
H
Y
E
V
I
INQ
G
V
C
L
R
M
M
A
M
S
-------------
W
L
S
G
V
I
C
------
G
F
M
H
V
I
A
---
T
FSLP----------------FC-
G
-
R
N
R
I
R
Q
F
F
C
N
I
P
Q
L
L
S
LLDP-
K
V
I
T
I
E
I
G
V
M
V
FG
T
--
S
L
V
I
-
I
S
F
V
V
--
I
T
L
S
Y
M
Y
I
F
S
V
I
-
M
R---------IPSK-----------E--------------------GRS---K
T
F
S
T
C
I
P
H
L
V
V
V
T
-
L
F
M
-------ISG
S
I
A
-
Y
V
KPIS------N-S-----P----
P
V
L
-
D
V
F
L
S
A
F
Y
T
-VVPPT
L
N
P
V
I
Y
S
L
-------RNR
D
M
K
A
A
L
R
R
Q--CGP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
83.30
21%
-147
- C4 -
3PWH
1
?
A:
[20-301]
--------------------------------------------------------------------------
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
WN-
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
FF
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
82.96
21%
-144
- C4 -
3REY
1
AA2AR_HUMAN
A:
[20-301]
--------------------------------------------------------------------------
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
WN-
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
FF
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
82.48
20%
-139
- C4 -
3VGA
1
AA2AR_HUMAN
A:
[20-301]
--------------------------------------------------------------------------
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
FF
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
82.34
21%
-145
- C4 -
3UZA
1
AA2AR_HUMAN
A:
[20-301]
--------------------------------------------------------------------------
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
WN-
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
FF
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
82.11
21%
-145
- C4 -
3UZC
1
AA2AR_HUMAN
A:
[20-301]
--------------------------------------------------------------------------
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
WN-
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
FF
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
81.96
21%
-144
- C4 -
3RFM
1
AA2AR_HUMAN
A:
[20-301]
--------------------------------------------------------------------------
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
WN-
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
FF
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
81.63
19%
-135
- C4 -
2YDO
3
?
A:
[20-301]
--------------------------------------------------------------------------
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
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-----------------------------------------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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
81.48
20%
-142
- C4 -
3VG9
8
?
A:
[20-301]
--------------------------------------------------------------------------
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
FF
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
80.71
19%
-137
- C4 -
2YDV
6
?
A:
[20-301]
--------------------------------------------------------------------------
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
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
80.43
19%
-132
- C4 -
4UHR
1
AA2AR_HUMAN
A:
[20-301]
--------------------------------------------------------------------------
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
---
G
C
G
E
G
Q
V
A
C
L
F
E
D
----
V
V
P
M
N
Y
M
V
Y
F
N
FF
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
79.66
19%
-141
- C4 -
4UG2
3
?
A:
[20-301]
--------------------------------------------------------------------------
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
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-------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
79.64
16%
-142
* C4 *
2KS9
1
NK1R_HUMAN
A:
[34-322]
--------------------------------------------------------
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
DLYL-
K
KF--
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
78.77
17%
-140
- C4 -
2Z73
5
OPSD_TODPA
A:
[32-331]
----------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
77.33
19%
-127
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
--MN
G
T
E
G
PNFYVP
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
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
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
GSDF
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
NPLGDDEA
S
T
T
V
S
K
TETSQVAPA----------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
76.96
18%
-138
- C4 -
1U19
14
OPSD_BOVIN
A:
[41-324]
-------------------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
76.90
15%
-134
- C4 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
--------------------------------------------------
D
E
V
W
V
V
G
---
M
G
I
V
M
S
---
L
I
V
L
A
I
V
F
G
-
N
V
L
-
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
-
M
K
M
W
T
----
F
G
N
F
W
C
----------------------
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
--------
A
V
D
R
Y
F
-
A
I
T
S
P
F
-----
K
Y
Q
S
L
L
T
K
N
K
A
R
V
I
I
L
M
V
-------------
W
I
V
S
G
L
T
------
S
F
L
P
I
Q
M
---
H
W
Y
R
A
---------------------
T
H
Q
E
A
I
N
C
Y
A
E
E
T
C
C
D
F
F
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
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
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
TGTWDAYKFCL
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
V
N
I
V
H
V
I
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL-------------------------
39
Fugue
73.31
15%
-132
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-MN
G
T
E
G
PNFYVPF
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
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
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
GKNPSTTVSKTETS
Q
V
A
P
A--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
71.25
21%
-164
* C3 *
4BUC
16
MURD_THEMA
A:
[16-448]
PRGSH
M
K
I
G
F
LGFG
K
S
N
R
S
-
L
L
K
Y
L
L
N
H
Q
E
A
K
F
F
V
S
E
A
K
T
L
D
G
E
T
K
K
F
L
E
E
H
S
V
E
Y
E
E
GG
H
T
E
K
L
L
DCD
V
V
Y
V
S
P
G
I
K
P
D
T
S
M
I
E
L
L
S
S
R
G
V
K
L
S
T
E
L
Q
F
F
L
D
N
V
D
P
K
K
V
V
G
I
T
G
T
-
D
G
K
S
T
A
T
A
L
M
Y
H
V
L
S
G
R
GF
K
T
F
L
G
G
NFGTPAVEALEGEYD
Y
Y
V
L
E
M
S
S
F
Q
L
F
W
S
E
R
P
Y
L
S
N
F
L
V
L
N
I
S
EDHLDWHS
S
F
K
E
Y
V
D
S
K
L
K
P
A
-----
F
L
Q
T
E
G
D
L
F
V
Y
N
K
H
I
E
R
L
RNLEGVRSR
K
I
P
F
W
T
D
E
N
F
A
------
T
E
K
E
L
I
V
RG
K
K
Y
T
L
P
GNYP
Y
Q
M
R
E
N
I
L
A
V
S
V
L
Y
M
E
M
F
N
E
L
E
S
F
L
E
L
L
R
D
F
K
P
L
P
H
R
M
E
Y
L
G
Q
I
D
G
R
H
F
Y
N
D
--
S
K
A
T
S
T
H
A
V
L
--
G
A
L
S
N
F
D
K
V
V
L
I
M
C
G
---------
I
G
K
K
-----------
E
--------------------
N
Y
S
---
L
F
V
E
K
A
S
P
K
L
K
H
L
I
M
F
G
E
-------
I
S
K
E
L
A
P
F
V
G
K
I
P
------
H
-
S
-----
I
----
V
E
N
M
E
E
A
F
E
K
--
A
M
E
V
S
E
K
G
D
V
I
L
L
S
P
GGASFA
K
R
G
E
H
F
R
E
I
F
K
R
H
--
G
G
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
67.13
14%
-121
- 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
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
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
27
HHSearch
65.79
13%
-128
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[38-322]
-----------------------------------------------------
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
RTQVI
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------