@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 : OPRD_HUMAN: (2016-01-12 )
MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPG-AR
S
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
KMKTA
T
N
I
Y
I
F
N
L
A
L
A
D
A
-
L
A
TS-TL
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
VCHPVKALDF---RTPA
K
A
K
L
I
N
I
C
-
I
W
V
L
ASGVG
V
P
I
M
V
-
M
A
V
TR-PR---D
G
A
V
V
C
M
L
QFPS---PS
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
RL----------------------------------LSG-----------------------------------------------------------------------------------------------------------------------------------------------------------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
VDI---------D------RRD
P
-------
L
V
V
A
A
L
H
L
C
I
A
-LGYANSSL
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
RKPCGRPD
P
S
S
F
S
R
A
R
E
A
T
A
RE
R
V
T
A
CTPSDGPGGGAAA
1
PsiBlast_PDB
96.04
99%
-164
- C2 -
4N6H
23
C562_ECOLX (first)
A:
[112-414]
-----------------------------------
G
S
P
G
-
A
R
S
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
----------------------------------
21
PsiBlast_CBE
95.69
100%
-167
- C2 -
4RWD
6
C562_ECOLX (first)
B:
[112-405]
--------------------------------------
G
-
A
R
S
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
----------------------------------------
2
PsiBlast_PDB
95.65
100%
-168
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[112-406]
--------------------------------------
G
-
A
R
S
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
---------------------------------------
3
PsiBlast_PDB
95.19
100%
-168
- C2 -
4RWD
7
C562_ECOLX (first)
A:
[112-406]
--------------------------------------
G
-
A
R
S
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
---------------------------------------
22
PsiBlast_CBE
94.73
100%
-169
- C2 -
4RWA
1
C562_ECOLX (first)
B:
[112-403]
--------------------------------------
G
-
A
R
S
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
-----------------------------------------------------------------------------
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
------------------------------------------
5
PsiBlast_PDB
84.13
71%
-170
- C2 -
5C1M
7
?
A:
[13-296]
---------------------------------------------
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
-------------------------------------------
23
PsiBlast_CBE
80.31
59%
-161
- C2 -
4EA3
3
C562_ECOLX (first)
B:
[122-407]
----------------------------------------------
L
G
L
K
V
T
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
I
R
A
L
D
V
---
R
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
---------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
K
F
----------------------------------------
6
PsiBlast_PDB
79.89
59%
-159
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[122-405]
----------------------------------------------
L
G
L
K
V
T
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
------------------------------------------
27
HHSearch
73.12
26%
-141
- C2 -
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
TGTWDA--
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
-------------------------------------
25
HHSearch
72.34
25%
-146
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-498]
-----------------------------------------------
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
TGTWDAY
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
----------------------------
26
HHSearch
71.58
26%
-143
- C2 -
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
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
VRT
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
TGTWD-
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
--------------------------------------
12
PsiBlast_PDB
70.92
24%
-161
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[38-359]
-------------------------------------------------------
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
PEDGDPDNGVNPGTDFKDIPDDWVCP
L
C
G
VGKDQ
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
FGLNN
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
--------------------------------------
19
PsiBlast_PDB
70.24
28%
-141
- C2 -
2KSB
1
NK1R_HUMAN
A:
[13-321]
---------------------------
P
N
I
S
T
N
T
S
E
P
N
Q
F
V
Q
P
A
W
Q
I
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
SDRY--------------------------------------------------------------------------------------------------------------------------------------------------------
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
T
I
S
18
PsiBlast_PDB
70.24
28%
-141
- C2 -
2KSA
1
NK1R_HUMAN
A:
[13-321]
---------------------------
P
N
I
S
T
N
T
S
E
P
N
Q
F
V
Q
P
A
W
Q
I
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
SDRY--------------------------------------------------------------------------------------------------------------------------------------------------------
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
T
I
S
17
PsiBlast_PDB
70.24
28%
-141
- C2 -
2KS9
1
NK1R_HUMAN
A:
[13-321]
---------------------------
P
N
I
S
T
N
T
S
E
P
N
Q
F
V
Q
P
A
W
Q
I
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
SDRY--------------------------------------------------------------------------------------------------------------------------------------------------------
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
T
I
S
34
HHSearch
70.16
23%
-139
- C2 -
3EML
13
ENLYS_BPT4
A:
[22-471]
--------------------------------------------------
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
CLF
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
--------------------------------
29
HHSearch
70.10
26%
-138
- C2 -
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
TGTWDA--
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
-------------------------------------
35
HHSearch
69.98
26%
-152
- C2 -
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
GTWDA
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
-------------------------------------
45
Fugue
69.60
18%
-123
- C2 -
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
VH
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
----------------
47
Fugue
69.42
28%
-142
- C2 -
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
PEDGDPDNGVNPGTDFKDIV
C
P
L
----------------------------------
C
G
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------
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
AM
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
--------------------------------------------