@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 : GPR87_HUMAN: (2016-01-10 )
MGFNLTLAKLPNNELHGQESHNSGNRSDGPGKNTTLHNEFDTIVLPVLYLIIFVASILLNGLAVWIFFHIRNKTSFIFYLKNIVVADLIMTLTFPFRIVHDAGFGPWYFKFILCRYTSVLFYANMYTSIVFLGLISIDRYLKVVKPFGDSRMYSITFTKVLSVCVWVIMAVLSLPNIILTNGQPTEDNIHDCSKLKSPLGVKWHTAVTYVNSCLFVAVLVILIGCYIAISRYIHKSSRQFISQSSRKRKHNQSIRVVVAVFFTCFLPYHLCRIPFTFSHLDRLLDESAQKILYYCKEITLFLSACNVCLDPIIYFFMCRSFSRRLFKKSNIRTRSESIRSLQSVRRSEVRIYYDYTDV
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)
MGFN
L
T
L
A
KLPNNELHGQESHNSGN-RSDGPGKNTTLHNE
F
D
--
T
I
V
L
P
V
L
Y
L
I
I
F
V
A
S
I
L
L
N
G
L
A
V
W
-
I
F
-
F
-
H
IRN-K
T
S
F
I
-
F
Y
L
K
N
I
V
V
A
D
L
I
M
T
L
-TF
P
F
R
I
V
HDAGF
G
P
W
Y
F
K
F
I
L
C
R
Y
T
S
V
L
F
Y
A
N
M
Y
T
S
I
V
F
L
G
L
I
S
I
D
R
Y
L
K
V
V
KPFGDS
R
M
---
Y
S
I
T
F
T
K
V
L
S
V
C
V
W
V
I
M
A
V
L
SLP
N
I
I
LTNGQPT--ED
N
I
H
D
C
S
K
--LKS----P-LG
V
K
--
W
H
T
-
A
V
T
Y
V
N
S
-
C
L
-
F
-----
V
-----
A
V
L
V
I
L
I
--
G
C
Y
I
A
I
S
R
---------------
Y
I
H
K
------------------------------
S
S
R
Q
F
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------
Q
S
S
R
K--RKHNQ
S
--
I
R
V
---
V
V
A
V
F
F
T
C
F
L
P
Y
H
L
CRIP
F
T
F
S
H
L
D
R
L
-
L
-----
D
E
--
S
A
Q
K
I
L
Y
Y
C
K
E
I
T
L
F
L
S
A
C
N
V
C
L
D
P
I
I
Y
F
F
M
C
R
S
F
S
R
R
L
F
K
K
SNI
R
T
R
S
E
S
I
R
S
L
Q
S
V
R
RS
E
V
R
I
Y
Y
DYTDV
35
HHSearch
81.52
24%
-140
* C3 *
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
GTWDAY
G
------------------------------------------
V
P
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
---------------------------
44
Fugue
78.51
26%
-146
- C3 -
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
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
----------------------------------
24
HHSearch
77.37
26%
-136
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[41-498]
-----------------------------------
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
TGTWDAYG
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
V
L
F
Q
------------------
17
PsiBlast_PDB
76.47
25%
-156
- C3 -
4MBS
8
CCR5_HUMAN (first)
A:
[34-361]
----------------------------------------------
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGV
G
K
D
Q
F
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------
E
------------------------------------------
V
E
E
E
K
--
K
R
H
R
D
V
R
L
I
F
T
---
I
M
I
V
Y
F
L
F
W
A
P
Y
N
I
V
L
L
L
N
T
F
Q
E
F
F
G
L
-
N
-----
N
C
--
S
S
S
N
R
L
D
Q
A
M
Q
V
T
E
T
L
G
M
T
H
C
C
I
N
P
I
I
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q
----------------------------
5
PsiBlast_PDB
74.52
24%
-144
- C3 -
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
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
L
K
S
L
G
R
---
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
S
G
T
G
V
R
--
K
N
K
T
I
T
C
Y
D
--
T
T
S
----
D
-
E
Y
L
R
--
S
Y
F
-
I
Y
S
M
C
T
T
V
A
M
-
F
-----
C
-----
V
P
L
V
L
I
L
--
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGV
G
K
D
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
----------------------------------
13
PsiBlast_PDB
74.49
27%
-159
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[122-400]
--------------------------------------------
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
-
R
-
Y
T
K
M
-
K
T
A
T
N
-
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
R
P
R
--
D
G
A
V
V
C
M
L
Q
--
F
P
S
----
P
--
S
W
Y
--
W
D
T
--
V
T
K
I
C
V
-
F
L
-
F
-----
A
-----
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
------------------------------------------------------
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
-----------------------------
14
PsiBlast_PDB
74.31
27%
-154
- C3 -
4RWD
7
C562_ECOLX (first)
A:
[122-400]
--------------------------------------------
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
-
R
-
Y
T
K
M
-
K
T
A
T
N
-
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
R
P
R
--
D
G
A
V
V
C
M
L
Q
--
F
P
S
----
P
--
S
W
Y
--
W
D
T
--
V
T
K
I
C
V
-
F
L
-
F
-----
A
-----
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
---------------
R
L
R
S
------------------------------
V
R
L
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
-----------------------------
16
PsiBlast_PDB
73.52
26%
-150
- C3 -
5C1M
7
?
A:
[2-294]
-------------------
S
H
S
L
-
P
-
Q
T
G
S
P
S
M
V
T
A
---------
I
T
I
M
A
L
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
-
V
I
-
V
R
Y
T
K
M
-
K
T
A
T
N
-
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
L
P
F
Q
S
V
N
Y
L
-
M
G
T
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
L
P
V
M
F
M
A
T
T
K
Y
R
--
Q
G
S
I
-
D
C
T
L
--
T
F
S
----
H
-
P
T
W
Y
--
W
E
----
N
L
L
K
I
-
C
V
-
F
-----
I
F
A
F
I
M
P
V
L
I
I
T
V
--
C
Y
G
L
M
I
L
R
---------------
L
--
K
------------------------------
S
V
R
M
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
---------------------------------
4
PsiBlast_PDB
73.22
24%
-149
- C3 -
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
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
PEDGDPDNGVNPGTDFKDIVCPLCGV----
G
K
D
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
----------------------------------
6
PsiBlast_PDB
72.96
26%
-163
- C3 -
4EA3
3
C562_ECOLX (first)
A:
[131-405]
--------------------------------------------------
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
FSF
I
V
-----
P
V
L
V
I
S
V
---
C
Y
S
L
M
I
R
---------------
R
L
R
G
-----------------------------------
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------
R
------------------------------------------
L
L
S
G
S
--
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
GVQPS
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
-------------------------------
15
PsiBlast_PDB
72.52
27%
-155
- C3 -
4N6H
23
C562_ECOLX (first)
A:
[125-403]
--------------------------------------------
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
-
R
-
Y
T
K
M
-
K
T
A
T
N
-
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
R
P
R
--
D
G
A
V
V
C
M
L
Q
--
F
P
S
----
P
--
S
W
Y
--
W
D
T
--
V
T
K
I
C
V
-
F
L
-
F
-----
A
-----
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
---------------
R
L
R
S
------------------------------
V
R
L
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
------------------------
33
HHSearch
70.68
20%
-136
- C3 -
3EML
13
ENLYS_BPT4
A:
[21-472]
--------------------------------------------
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
ACLF
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
----------------------
2
PsiBlast_PDB
69.71
40%
-142
- C3 -
4PXZ
4
C562_ECOLX (first)
A:
[24-249]
----------------------------------
S
L
C
T
R
D
Y
K
I
T
Q
V
L
F
P
L
L
Y
T
V
L
F
F
V
G
L
I
T
N
G
L
A
M
R
-
I
F
-
F
-
Q
I
R
S
-
K
S
N
F
I
-
I
F
L
K
N
T
V
I
S
D
L
L
M
I
L
-
T
F
P
F
K
I
L
S
D
A
K
L
G
T
G
P
L
R
T
F
V
C
Q
V
T
S
V
I
F
Y
F
T
M
Y
I
S
I
S
F
L
G
L
I
T
I
D
R
Y
Q
K
T
T
R
P
-----
P
---
K
N
L
L
G
A
K
I
L
S
V
V
I
W
A
F
M
F
L
L
S
L
P
N
M
I
L
T
N
R
Q
P
R
--
D
K
N
V
K
K
C
S
F
--
L
K
S
----
E
-
F
G
L
V
--
W
H
E
-
I
V
N
Y
I
C
Q
-
V
I
-
F
-----
W
-----
I
N
F
L
I
V
I
--
V
C
Y
T
L
I
T
K
---------------
E
L
Y
R
------------------------------
S
Y
V
R
T
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------
D
------------------------------------------
L
E
D
N
W
--
E
T
L
N
D
N
--
L
K
V
---
I
E
K
A
D
N
A
A
Q
V
K
D
A
L
T
K
M
R
A
A
A
L
D
A
Q
K
A
-
T
-----
P
P
--
K
L
E
D
K
S
P
D
S
P
E
M
K
D
F
R
H
G
F
D
I
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
R
G
V
G
K
V
P
R
K
K
V
N
29
HHSearch
68.63
18%
-140
- C3 -
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
TGTWDAY--
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
---------------------------
1
PsiBlast_PDB
68.16
40%
-159
- C3 -
4NTJ
4
C562_ECOLX (first)
A:
[25-249]
-----------------------------------
L
C
T
R
D
Y
K
IT
Q
V
L
F
P
L
L
Y
T
V
L
F
F
V
G
L
I
T
N
G
L
A
M
R
-
I
F
-
F
-
Q
I
R
S
-
K
S
N
F
I
-
I
F
L
K
N
T
V
I
S
D
L
L
M
I
L
-
T
F
P
F
K
I
L
S
D
A
K
L
----
L
R
T
F
V
C
Q
V
T
S
V
I
F
Y
F
T
M
Y
I
S
I
S
F
L
G
L
I
T
I
D
R
Y
Q
K
T
T
R
P
F
K
T
------
K
N
L
L
G
A
K
I
L
S
V
V
I
W
A
F
M
F
L
L
S
L
P
N
M
I
L
--------------------
K
S
----
E
-
F
G
L
V
--
W
H
E
-
I
V
N
Y
I
C
Q
-
V
I
-
F
-----
W
-----
I
N
F
L
I
V
I
--
V
C
Y
T
L
I
T
K
---------------
E
L
Y
R
------------------------------
S
Y
V
R
T
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------
D
------------------------------------------
L
E
D
N
W
--
E
T
L
N
D
N
--
L
K
V
---
I
E
K
A
D
N
A
A
Q
V
K
D
A
L
T
K
M
R
A
A
A
L
D
A
Q
K
A
-
T
-----
P
P
--
K
L
E
D
F
R
H
G
F
D
I
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
R
G
V
G
K
V
R
K
K
V
N
V
K
V
F
I
I
I
A
V
F
F
36
HHSearch
67.65
25%
-118
- C3 -
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
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
-------------------------
45
Fugue
67.50
15%
-93
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
P
W
Q
--
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
-
V
T
-
V
-
Q
H
K
K
L
R
T
P
L
N
-
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
-
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
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
--------
27
HHSearch
67.31
19%
-142
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
--------------------------------------------
V
V
F
I
V
L
V
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
-
S
I
-
K
-
V
N
R
H
L
Q
T
V
N
N
-
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
M
N
L
Y
T
L
Y
T
V
-
I
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
F
W
Q
F
I
V
G
VR
T
V
E
D
G
E
C
Y
I
--
Q
F
F
----
S
-
N
------
A
A
-
V
T
F
G
T
A
I
-
A
A
-
F
-----
Y
-----
L
P
V
I
I
M
T
--
V
L
Y
W
H
I
S
R
---------------
A
S
K
S
------------------------------
R
I
N
I
F
E
M
L
R
I
D
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAY--
P
------------------------------------------
P
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
----------------------------
3
PsiBlast_PDB
67.06
40%
-146
- C3 -
4PY0
2
C562_ECOLX (first)
A:
[24-249]
----------------------------------
S
L
C
T
R
D
Y
K
I
T
Q
V
L
F
P
L
L
Y
T
V
L
F
F
V
G
L
I
T
N
G
L
A
M
R
-
I
F
-
F
-
Q
I
R
S
-
K
S
N
F
I
-
I
F
L
K
N
T
V
I
S
D
L
L
M
I
L
-
T
F
P
F
K
I
L
S
D
A
K
--
T
G
P
L
R
T
F
V
C
Q
V
T
S
V
I
F
Y
F
T
M
Y
I
S
I
S
F
L
G
L
I
T
I
D
R
Y
Q
K
T
T
R
------
P
---
K
N
L
L
G
A
K
I
L
S
V
V
I
W
A
F
M
F
L
L
S
L
P
N
M
I
L
T
N
R
Q
P
R
--
D
K
N
V
K
K
C
S
F
--
L
K
S
----
E
-
F
G
L
V
--
W
H
E
-
I
V
N
Y
I
C
Q
-
V
I
-
F
-----
W
-----
I
N
F
L
I
V
I
--
V
C
Y
T
L
I
T
K
---------------
E
L
Y
R
------------------------------
S
Y
V
R
T
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------
D
------------------------------------------
L
E
D
N
W
--
E
T
L
N
D
N
--
L
K
V
---
I
E
K
A
D
N
A
A
Q
V
K
D
A
L
T
K
M
R
A
A
A
L
D
A
Q
K
A
-
T
-----
P
P
--
K
L
E
D
K
S
P
D
S
P
E
M
K
D
F
R
H
G
F
D
I
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
Y
I
Q
K
Y
L
R
G
V
G
K
V
P
R
K
K
V
N
30
HHSearch
66.51
20%
-146
- C3 -
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
TGTWDAY--
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
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