@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 : O52P1_HUMAN: (2016-01-12 )
MESPNHTDVDPSVFFLLGIPGLEQFHLWLSLPVCGLGTATIVGNITILVVVATEPVLHKPVYLFLCMLSTIDLAASVSTVPKLLAIFWCGAGHISASACLAQMFFIHAFCMMESTVLLAMAFDRYVAICHPLRYATILTDTIIAHIGVAAVVRGSLLMLPCPFLIGRLNFCQSHVILHTYCEHMAVVKLACGDTRPNRVYGLTAALLVIGVDLFCIGLSYALSAQAVLRLSSHEARSKALGTCGSHVCVILISYTPALFSFFTHRFGHHVPVHIHILLANVYLLLPPALNPVVYGVKTKQIRKRVVRVFQSGQGMGIKASE
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)
-----------------------MESPNHTDVDP
S
V
F
F
L
LGIP
G
L
E
Q
F
H
L
W
L
S----LPVCGLG
T
A
T
I
VG
N
I
T
I
L
V
V
VATEPVLHK
P
V
Y
L
F
L
C
M
L
S
T
I
D
L
A
A
S
V
S
T
-
V
P
K
L
L
A
I
FW-CGAGH----
I
S
A
S
A
-----------
C
L
A
Q
M
F
F
------
I
H
A
--
F
C
M
M
E
S
-
T
V
L
L
A
M
A
F
D
R
Y
V
A
I
CHP
L
R
--
Y
A
T
I
---
L
T
D
T
I
I
A
H
I
G
V
A
A
V
VRG
S
L
L
ML
P
----
C
P
F
L
-
I
-
G
R
L
N
F
--
C
Q
S
---
H
V
I
L
H
T
-
Y
C
E
H
M
A
-
V
V
K
LACG-------DTR-PN-
R
V
Y
----
G
L
T
A
A
L
L
---------
V
I
G
V
D
L
F
C
I
G
L
S
Y
A
L
S
A
Q
A
V
L
R
---------LSS
H
------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
A
R
S
K
A
L
GTCG
S
H
V
-
C
V
I
L
I
SY
T
P
-
A
L
F
S
F
F
----
T
H
R-----FGHH--V------
P
V
-----
H
I
H
I
L
L
A
N
V
Y
L
LL------PPAL----------
N
P
V
V
YGV
K
T
K
Q
I
R
K
R
-
V
V
R
V
F
QSGQGMGIKASE-------------------------------
28
HHSearch
85.09
19%
-144
* C3 *
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
---
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
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
CS
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
84.47
17%
-138
- C3 -
2KS9
1
NK1R_HUMAN
A:
[33-327]
-------------------------------------------------
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
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
--
L
YL----
K
K
FI---
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
-------------------------------
26
HHSearch
84.24
18%
-134
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
-------------------------------------------------
M
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
TGTWDAYLHM-
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
-----------------------------------------
44
Fugue
84.16
17%
-135
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-----------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
DYYTPH
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
GSDFG
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
TETS
Q
V
A
P
A----------------------
37
HHSearch
84.14
16%
-137
- C3 -
2Z73
5
OPSD_TODPA
A:
[32-334]
----------------------------------------------
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
-------------------------------
25
HHSearch
80.81
17%
-141
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
-------------------------------------------------
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
--
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
TGTWDAYPPP-
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
------------------------------------------
46
Fugue
80.00
17%
-110
- C3 -
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
GW
S
R
Y
I
-
P
E
G
M
Q
C
S
--
C
G
I
DYY
T
P
H
E
E
T
-
N
N
E
S
F
V
-
I
Y
M
F
V
V
H
-------
F
I
I
-
P
L
-
I
V
I
----
F
F
C
Y
G
Q
L
---------
V
F
T
V
K
--------
E
A
A
A
Q
Q
Q
E
S
---------
A
T
T
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
K
E
V
T
R
M
V
I
I
M
V
-
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
----
I
F
T
-----
H
Q
G
S
--
D
------
F
G
-----
P
I
F
M
T
I
P
A
F
F
A
K
T
------
S
A
V
Y
----------
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
-
M
V
T
T
L
C
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
TETSQVAPA----------------
4
PsiBlast_PDB
77.93
23%
-144
- C3 -
4GBR
1
ADRB2_HUMAN
A:
[18-270]
-----------------------------------------------------------------
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
--------
F
G
A
A
H
----
I
L
T
K
T
-----------
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
--
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
--
Y
Q
S
L
---
L
T
K
N
-----------
K
A
R
V
I
I
L
M
----
V
W
I
V
-
S
-
G
L
T
S
F
L
P
I
Q
M
---
H
W
Y
R
A
T
-
H
Q
E
A
I
N
C
Y
A
E
E
T
C
C
-------
D
F
F
-
T
N
-
Q
A
Y
----
A
I
A
S
S
I
V
---------
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
F
Q
E
A
K
R
Q
L
Q
KIDKFC
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
------------------------------------------
2
PsiBlast_PDB
77.76
23%
-149
- C3 -
4LDL
3
ADRB2_HUMAN
A:
[195-447]
-----------------------------------------------------------------
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
--------
F
G
A
A
H
----
I
L
T
K
T
-----------
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
--
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
--
Y
Q
S
L
---
L
T
K
N
-----------
K
A
R
V
I
I
L
M
----
V
W
I
V
-
S
-
G
L
T
S
F
L
P
I
Q
M
---
H
W
Y
R
A
T
-
H
Q
E
A
I
N
C
Y
A
E
E
T
C
C
-------
D
F
F
-
T
N
-
Q
A
Y
----
A
I
A
S
S
I
V
---------
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
F
Q
E
A
K
R
QLQKFA---
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
77.75
23%
-151
- C3 -
4LDE
3
A:
[195-447]
-----------------------------------------------------------------
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
--------
F
G
A
A
H
----
I
L
T
K
T
-----------
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
--
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
--
Y
Q
S
L
---
L
T
K
N
-----------
K
A
R
V
I
I
L
M
----
V
W
I
V
-
S
-
G
L
T
S
F
LP
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
QLQKFA---
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
------------------------------------------
3
PsiBlast_PDB
77.25
23%
-144
- C3 -
4LDO
3
A:
[195-447]
-----------------------------------------------------------------
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
--------
F
G
A
A
H
----
I
L
T
K
T
-----------
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
--
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
--
Y
Q
S
L
---
L
T
K
N
-----------
K
A
R
V
I
I
L
M
----
V
W
I
V
-
S
-
G
L
T
S
F
L
P
I
Q
M
---
H
W
Y
R
A
T
-
H
Q
E
A
I
N
C
Y
A
E
E
T
C
C
-------
D
F
F
-
T
N
-
Q
A
Y
----
A
I
A
S
S
I
V
---------
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
F
Q
E
A
K
R
QLQKFA---
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
------------------------------------------
34
HHSearch
76.03
17%
-131
- C3 -
1U19
14
OPSD_BOVIN
A:
[41-329]
-------------------------------------------------
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
QQESA
T
T
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
K
E
V
T
R
M
V
I
I
M
V
-
I
A
F
L
I
C
W
L
P
-
Y
A
G
V
A
F
----
Y
I
F
-----
T
H
Q
G
S-
D
------
F
G
-----
P
I
F
M
T
I
P
A
F
F
A
K
T
------
S
A
V
Y
----------
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
-
M
V
T
T
L
C
C
G
K
N
P
L
G
D
D
E
A
-------------------------------
9
PsiBlast_PDB
74.37
22%
-145
- C3 -
4QKX
2
ADRB2_HUMAN
A:
[195-447]
-----------------------------------------------------------------
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
C
----
I
L
T
K
T
-----------
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
--
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
--
Y
Q
S
L
---
L
T
K
N
-----------
K
A
R
V
I
I
L
M
----
V
W
I
V
-
S
-
G
L
T
S
F
L
P
I
Q
M
---
H
W
Y
R
A
T
-
H
Q
E
A
I
N
C
Y
A
E
E
T
C
C
-------
D
F
F
-
T
N
-
Q
A
Y
----
A
I
A
S
S
I
V
---------
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
F
Q
E
A
K
R
QLQKFA---
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
------------------------------------------
36
HHSearch
72.48
16%
-130
- C3 -
3V2Y
1
ENLYS_BPT4
A:
[61-495]
----------------------------------------------
N
S
I
K
L
T
S
----
V
V
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
L
L
L
S
G
A
--
T
T
Y
K
----
L
T
P
A
Q
-----------
W
F
L
R
E
G
S
------
M
F
V
--
A
L
S
A
S
V
-
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-------------
N
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
L
G
G
L
----
P
I
M
G
-
W
-
N
C
I
S
------------
A
L
S
-
S
C
S
T
V
L
-
P
L
----------------
Y
H
-
K
H
Y
----
I
L
-
F
C
T
T
---------
V
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
T
---------
R
N
I
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
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
TGTWDAYA
S
R
S
-
S
E
N
V
A
L
L
K
T
V
I
I
V
L
-
S
V
F
I
A
C
W
A
P
-
L
F
I
L
L
L
----
L
D
V
-----
G
C
K
V
--
K
------
T
C
D
I
---
L
F
R
A
E
Y
F
L
V
L
A
V
L
------
N
S
G
T
----------
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
-
F
I
R
I
M
G
R
P
L
---------------------------------------
35
HHSearch
72.12
15%
-135
- 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
QV
I
QE
S
C
E
R
R
N
N
I
---
G
R
A
L
D
A
T
E
I
L
G
F
L
------
H
S
C
L
----------
N
P
I
I
Y
A
F
I
G
Q
N
F
R
H
G
-
F
L
K
I
L
A
M
H
G
---------------------------------------
51
Fugue
68.45
18%
-134
* C2 *
4OCV
6
?
A:
[24-378]
--------------------------
T
N
E
A
L
F
D
V
A
S
H
F
A
L
E
-
G
T
V
D
S
I
E
P
Y
G
D
----
G
H
I
N
T
T
Y
L
V
T
T
D
G
P
R
Y
I
L
Q
R
M
N
T
G
I
F
P
D
T
V
N
L
M
R
N
V
E
L
V
T
S
T
L
K
A
Q
G
K
E
-
T
---
L
D
I
V
R
-
T
T
S
G
D
TWAE
I
D
G
G
A
-----------
W
R
V
Y
K
F
I
------
E
H
T
M
S
Y
N
L
V
P
N
-
P
D
V
F
R
E
A
G
R
A
F
G
D
F
Q
N
F
L
S
G
F
D
A
N
Q
---
L
T
E
T
I
-
A
H
F
H
D
T
P
H
R
F
E
D
F
K
K
A
L
----
A
A
D
E
-
L
-
G
R
A
A
G
--
C
G
P
---
E
I
E
F
Y
L
S
H
A
D
Q
Y
A
-
V
V
M
D
G
L
R
-------
D
G
S
I
P
L
-
R
V
T
HNDT
K
L
N
N
I
L
M
DATTGKARA
I
I
D
L
D
T
I
M
P
G
-
S
M
L
F
D
F
G
D
S
I
R
---------
F
G
A
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
A
L
E
D
E
R
D
L
D
K
V
H
F
S
T
E
L
F
R
A
Y
T
E
-
G
F
V
G
E
L
R
DSI
T
A
R
-----
E
A
E
L
--
L
------
P
F
-----
S
G
N
L
L
T
M
E
C
G
M
R
F
------
L
A
D
Y
L
E
GDVYFATK
Y
P
E
H
N
L
V
R
S
R
T
Q
I
K
L
-
V
R
E
M
E
Q
R
A
D
E
T
R
A
I
V
A
D
V
M
E
T
T--------------------------
27
HHSearch
62.95
19%
-144
- C3 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-236]
------------------------------------------------
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
L
-------------------------------
32
HHSearch
61.76
19%
-160
- C3 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-227]
---------------------------------------------------
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
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
-------------------------------
53
Fugue
60.55
14%
-116
- C2 -
4KPP
4
?
A:
[2-396]
DF
T
K
E
K
F
Q
L
L
A
I
S
S
L
T
L
P
W
L
I
S
L
A
F
N
Y
H
H
P
A
L
T
Q
T
L
L
S
G
L
A
V
V
S
A
S
F
L
I
S
W
A
A
E
T
A
E
M
D
V
P
R
S
F
S
L
A
I
V
A
L
L
A
V
L
P
E
Y
A
V
D
G
Y
F
A
W
K
A
G
S
V
G
G
E
Y
V
H
Y
A
T
A
N
M
T
G
A
-
N
R
L
L
I
G
I
G
W
-
S
L
V
A
F
----
I
A
F
R
T
L
KSK
E
V
E
L
D
DG
I
R
L
E
I
F
F
------
L
F
L
--
A
T
L
Y
A
F
-
T
L
P
L
K
G
H
I
S
P
F
D
A
L
V
F
V
S
L
--
Y
A
I
Y
---
I
Y
L
S
T
K
A
E
-
R
E
E
V
E
V
G
G
V
P
A
Y
L
C
----
S
L
K
T
-
E
-
T
R
R
L
S
--
V
V
V
---
L
F
L
F
A
G
-
F
T
I
L
M
S
-
V
E
A
F
S
E
G
-------
L
L
E
-
T
A
-
R
I
A
----
G
I
D
E
F
L
A
---------
V
Q
W
I
A
P
L
A
S
E
S
P
E
L
I
V
A
I
Y
F
V
R
---------
R
F
R
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
A
S
M
N
A
L
I
S
S
K
V
N
Q
-
W
T
L
L
I
G
T
I
A
-
I
I
Y
S
I
S
----
A
F
K
L
Q
S
L
P
L
D
A
R
--
Q
------
S
E
-----
E
V
L
L
T
A
A
Q
S
L
F
A
V
------
A
I
L
L
----------
D
L
K
I
S
W
K
E
A
S
A
L
F
L
L
F
I
V
Q
L
L
F
P
G
V
E
V
R
Y
I
I
S
A
I
Y
I
I
L
S
L
P
I
L
F
A
K
R
K
E
I
V
E
S
F
R
T
V
K
R
L
I
S
LE
30
HHSearch
56.06
15%
-139
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-240]
----------------------------------------------
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
-------------------------------