@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 : PKR2_HUMAN: (2016-01-14 )
MAAQNGNTSFTPNFNPPQDHASSLSFNFSYGDYDLPMDEDEDMTKTRTFFAAKIVIGIALAGIMLVCGIGNFVFIAALTRYKKLRNLTNLLIANLAISDFLVAIICCPFEMDYYVVRQLSWEHGHVLCASVNYLRTVSLYVSTNALLAIAIDRYLAIVHPLKPRMNYQTASFLIALVWMVSILIAIPSAYFATETVLFIVKSQEKIFCGQIWPVDQQLYYKSYFLFIFGVEFVGPVVTMTLCYARISRELWFKAVPGFQTEQIRKRLRCRRKTVLVLMCILTAYVLCWAPFYGFTIVRDFFPTVFVKEKHYLTAFYVVECIAMSNSMINTVCFVTVKNNTMKYFKKMMLLHWRPSQRGSKSSADLDLRTNGVPTTEEVDCIRLK
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.......360.......370.......380..
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MAAQNGNTSFTPNFNPPQDHAS
S
L
S
F
N
FSYGDYDLPMDEDED
M
T
K
T
R
T
F
F
A
A
K
I
V
I
G
I
A
L
A
G
I
-
M
L
V
CGI-G---
N
F
V
F
I
A
A
L
T
R
Y
K
K
L
R
N
L
T
N
L
L
I
A
N
L
A
I
S
D
F
L
V
A
I
IC-CPFE
M
D
Y
Y
V
V
R
QLSWEHG
H
V
L
C
A
SV
N
Y
L
R
T
V
S
L
Y
VSTN
A
L
L
A
I
A
I
D
R
Y
L
A
I
VHPL-KPR--M-----N
Y
Q
T
---
A
S
F
L
I
A
L
---
V
W
M
V
S
I
L
I
AIP
S
A
Y
FA
T
E
T
V
L
F
I
V
K--SQE-
K
I
F
CGQ-IWP---V
D
Q
Q
-
L
Y
Y
K
S
Y
F
L
F
I
F
G
V
E
F
V
G
P
V
V
T
M
T
L
C
Y
A
R
I
S
R
E
L
W
F
KAVPGF
Q
T
-------------------------------------------------------------------------------------------------------------------------------------------------------
E
--------------------------------------------------------------------------------------------------------------------------------------------------------
Q
I
R
K
R
L
R
C
R
R
K
T
V
L
V
L
M
-----------
C
I
L
T
A
Y
V
L
C
WA
P
F
Y
G
F
T
I
V
----
R
D
FFPT
V
F
-----
V
KEK
H
Y
L
T
A
F
Y
V
V
E
C
I
A
M--S--NSM
I
N
T
V
C
F
V
T
VKN
N
T
M
K
Y
F
K
K
M
M
L
LHWRPSQRGSKSSA
D
L
D
L
RTNGVPTTEEV
D
C
I
RLK
35
HHSearch
92.09
22%
-139
- C6 -
3EML
13
ENLYS_BPT4
A:
[22-472]
-----------------------------------------------------
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
ACL
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
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
-----------------------------
31
HHSearch
90.49
23%
-135
- C6 -
3UON
4
ACM2_HUMAN (first)
A:
[25-457]
------------------------------------------------------
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
VK
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
V
R
----
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
TGTW--
D
A
Y
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
-----------------------------------
37
HHSearch
90.10
22%
-142
- C6 -
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
KY
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
TGTW--
D
A
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
----------------------------------
39
HHSearch
89.45
22%
-140
- C6 -
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
GTW
D
A
Y
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
----------------------------------
28
HHSearch
87.97
23%
-131
- C6 -
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
TGTWD
A
Y
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
V
L
F
Q
-------------------------
32
HHSearch
87.03
23%
-137
- C6 -
2KS9
1
NK1R_HUMAN
A:
[33-328]
-----------------------------------------------------
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
D
S
S
-------------------------------------------------------------------------------------------------------------------------------------------------------
D
--------------------------------------------------------------------------------------------------------------------------------------------------------
R
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
A
G
D
Y
E
G
L
E
M
K
S
T
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
L
E
T
14
PsiBlast_PDB
85.90
25%
-149
- C6 -
2VT4
8
ADRB1_MELGA
A:
[14-298]
-------------------------------------------------------
M
S
L
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
-----------------------------------
20
PsiBlast_PDB
85.35
26%
-142
- C6 -
4BVN
11
ADRB1_MELGA
A:
[14-300]
-------------------------------------------------------
M
S
L
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
V
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
R
K
T
S
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
-----------
K
W
L
F
V
A
F
---
N
W
L
G
Y
--
A
--
N
S
A
M
N
P
I
-
I
L
C
R
S
P
D
F
R
K
A
F
K
R
L
L
A
-----------------------------------
11
PsiBlast_PDB
85.16
24%
-157
- C6 -
4RWA
2
C562_ECOLX (first)
A:
[116-405]
--------------------------------------------------
A
S
S
L
A
L
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
------------------------------------
34
HHSearch
84.45
22%
-130
- C6 -
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
SL
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
TGTW--
D
A
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
----------------------------------
12
PsiBlast_PDB
84.39
24%
-154
- C6 -
4RWD
7
C562_ECOLX (first)
A:
[116-405]
--------------------------------------------------
A
S
S
L
A
L
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
------------------------------------
15
PsiBlast_PDB
84.07
25%
-151
- C6 -
2YCW
7
ADRB1_MELGA
A:
[14-299]
-------------------------------------------------------
M
S
L
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
SL
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
KA
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
----------------------------------
17
PsiBlast_PDB
83.92
25%
-152
- C6 -
2YCZ
2
ADRB1_MELGA
A:
[14-299]
-------------------------------------------------------
M
S
L
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
----------------------------------
13
PsiBlast_PDB
83.74
24%
-151
- C6 -
4N6H
23
C562_ECOLX (first)
A:
[119-408]
--------------------------------------------------
A
S
S
L
A
L
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
-------------------------------
16
PsiBlast_PDB
83.33
25%
-151
- C6 -
2YCX
3
ADRB1_MELGA
A:
[14-294]
-------------------------------------------------------
M
S
L
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
KA
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
---------------------------------------
18
PsiBlast_PDB
82.31
25%
-151
- C6 -
2YCY
6
ADRB1_MELGA
A:
[14-299]
-------------------------------------------------------
M
S
L
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
--
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
----------------------------------
51
Fugue
81.93
17%
-107
- C6 -
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
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
G
K
N
P
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
-----------
29
HHSearch
81.45
20%
-142
* C6 *
2Z73
5
OPSD_TODPA
A:
[31-335]
-------------------------------------------------
D
A
V
Y
Y
S
L
G
I
F
I
G
I
C
-
G
I
I
G
C
G
-
G
---
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
--
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
-
A
A
S
K
K
M
-----
S
H
R
R
---
A
F
I
M
I
I
F
---
V
W
L
W
S
V
L
W
A
I
G
P
I
F
G
W
G
A
Y
T
L
------
E
G
V
-
L
C
N
C
S
F
-
D
Y
I
---
S
R
D
--
S
T
T
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
RLNAKE
L
----------------------------------------------------------------------------------------------------------------------------------------------
R
--------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
Q
A
G
A
N
A
E
M
R
L
A
K
I
S
I
-----------
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
V
A
L
L
----
A
Q
F
G
P
L
E
---------
W
V
T
P
Y
A
A
Q
L
P
V
M
F
A
K
--
A
--
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
--------
10
PsiBlast_PDB
80.34
25%
-142
- C6 -
4EA3
3
C562_ECOLX (first)
A:
[128-405]
------------------------------------------------------
I
V
G
L
Y
L
A
---
V
C
V
G
G
L
L
G
---
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
-
L
L
T
-
L
P
F
Q
G
T
D
I
L
L
G
--
F
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------------
T
---
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
A
I
M
G
S
A
Q
V
-------
E
D
E
-
E
I
E
C
L
V
-
E
I
P
---
T
P
Q
D
-
Y
W
G
P
V
F
A
I
C
I
F
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
R
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
G
-----
V
Q
P
S
S
E
T
A
V
A
I
L
R
F
C
T
A
L
--
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
A
C
F
R
---------------------------------------
19
PsiBlast_PDB
80.33
25%
-141
- C6 -
5C1M
7
?
A:
[21-296]
---------------------------------------------------------
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
----------------------------------------