@TOME V2.3
(Nov 2016)
Ref.
-
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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 : NMUR1_HUMAN: (2016-01-11 )
MTPLCLNCSVLPGDLYPGGARNPMACNGSAARGHFDPEDLNLTDEALRLKYLGPQQTELFMPICATYLLIFVVGAVGNGLTCLVILRHKAMRTPTNYYLFSLAVSDLLVLLVGLPLELYEMWHNYPFLLGVGGCYFRTLLFEMVCLASVLNVTALSVERYVAVVHPLQARSMVTRAHVRRVLGAVWGLAMLCSLPNTSLHGIRQLHVPCRGPVPDSAVCMLVRPRALYNMVVQTTALLFFCLPMAIMSVLYLLIGLRLRRERLLLMQEAKGRGSAAARSRYTCRLQQHDRGRRQVTKMLFVLVVVFGICWAPFHADRVMWSVVSQWTDGLHLAFQHVHVISGIFFYLGSAANPVLYSLMSSRFRETFQEALCLGACCHRLRPRHSSHSLSRMTTGSTLCDVGSLGSWVHPLAGNDGPEAQQETDPS
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.......390.......400.......410.......420....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MT
P
L
C
L
N
C
S
VLPGDLYPGGARNPMACNGSAARGHFDPEDLNL
T
D
E
A
L
R
L
K
YLGP------Q
Q
T
E
---
L
F
M
P
I
C
A
T
Y
L
L
I
F
V
V
G
AVGN
G
L
T
C
L
V
I
L
R
H
K
AMRT---PT
N
Y
Y
L
F
S
L
A
V
S
D
L
L
V
L
L
VGL
P
L
E
----
L
Y
E
-
M
W
HNY
P
F
L
L
GV
G
G
C
----
Y
F
R
T
L
L
F
E
M
V
C
L
A
S
V
L
N
V
T
A
L
S
V
E
R
Y
V
A
V
VH
P
L
Q
A
R
S
M
---
V
T
R
A
H
V
R
R
V
L
G
A
V
W
G
L
A
M
L
CSLPNTSLH
G
I
R
Q
L---H-VPCRGPVPDS
A
V
C
M
L
V--R
P
R
A
-
L
Y
N
M
V
V
Q
T
T
A
L
L
F
-
F
C
L
P
M
A
I
M
S
V
L
Y
L
L
I
G
L
R
L
R
R
E
R
L
L
L
M
QEAKG---------R----------------------------G-------------------------------S------------------------------------------------------------------------------A-------------------A---------------------------------------------------------------------------------------------------------------------------A---------------R----------------S---------------
R
-
Y
---------------
T
--------------
C
----------------R
L
Q
QHD
R
G
R
R
Q
V
T
K
M
L
F
V
L
V
V
V
F
G
I
CWAP
F
H
A
D
R
V
M
W
S
V
V
S
--
Q
W----TD
G
L
H
L
A
F
Q
H
V
H
V
I
S
G
I
F
F
Y
LGSAA-
N
P
V
L
Y
S
L
M
S
S
R
F
R
E
T
F
Q
E
A
L
-
C
L
G
A
C
C
H
RLRPRHSSHSLSRMTTGSTLCDVGSLGSWVHPLAGNDGPEAQQETDPS
31
HHSearch
92.87
27%
-147
- C1 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-471]
-----------------------------------------------------------------------
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
------------------------------------------------------------------------------
T
EG
Y
Y
T
I
G
IGHL--------
L
TKSPS
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
---------------------------------
K
---------------
R
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
G--
T
--------------
W
----------------
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
90.97
25%
-131
- C1 -
2RH1
16
ADRB2_HUMAN (first)
A:
[42-477]
----------------------------------------------------------------------
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
GRNT-------
N
GVIT
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
TG
T
--------------
W
----------------
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
-----------------------------------------------------
26
HHSearch
90.00
24%
-137
- C1 -
3UON
4
ACM2_HUMAN (first)
A:
[27-457]
------------------------------------------------------------------------
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
---------
E
----------------------------
G
LRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKS-------
P
S
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
TGT
W
----------------
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
------------------------------------------------------
1
PsiBlast_PDB
89.75
33%
-171
- C1 -
4BV0
1
NTR1_RAT
A:
[22-326]
-----------------------------------------------------------------------
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
G
V
T
L
F
T
L
A
R
K
-----S--
R
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
F
A
L
P
V
D
----
V
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
----
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
R
H
P
-----
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
W
L
A
S
A
L
L
A
I
P
M
L
F
T
V
G
L
Q
N
L
------
S
G
D
G
T
H
P
G
G
L
V
C
T
P
I
--
V
D
T
A
-
T
L
K
V
V
I
Q
L
N
T
F
M
S
-
F
L
F
P
M
L
V
A
S
I
L
N
T
V
I
A
R
R
L
T
----
V
M
V
H
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
------------------------------------------------
G
----------------
R
V
Q
A
L
R
R
G
----
V
L
V
L
R
A
M
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
L
M
F
V
Y
I
S
DE
Q
W
----
T
T
A
L
F
D
F
Y
H
Y
F
Y
M
L
S
N
A
L
V
Y
V
S
A
A
I
-
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
A
C
L
-----------------------------------------------------
24
PsiBlast_CBE
89.66
32%
-161
- C1 -
4BUO
5
NTR1_RAT
B:
[21-322]
-----------------------------------------------------------------------
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
F
T
L
A
R
------LQ
S
T
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
M
P
V
E
----
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
----
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
W
L
A
S
A
L
L
A
I
P
M
L
F
T
M
G
L
Q
N
L
------
S
G
D
G
T
H
P
G
G
L
V
C
T
P
I
--
V
D
T
A
-
T
L
K
V
V
I
Q
V
N
T
F
M
S
-
F
L
F
P
M
L
V
A
S
I
L
N
T
V
I
A
N
K
L
---
T
V
M
V
H
Q
A
A
F
N
---------
M
----------------------------
T
-------------------------------
I
------------------------------------------------------------------------------
E
-------------------
P
---------------------------------------------------------------------------------------------------------------------------
G
--------------------------------------------------------------------------------------------------
R
V
Q
A
L
R
R
G
----
V
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
L
M
F
C
Y
I
S
DE
Q
W
----
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
V
Y
V
S
A
A
I
-
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
A
C
------------------------------------------------------
2
PsiBlast_PDB
89.08
32%
-161
- C1 -
3ZEV
6
NTR1_RAT
A:
[22-323]
-----------------------------------------------------------------------
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
F
T
L
A
R
K
K
---
S
L
Q
S
T
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
M
P
V
E
----
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
----
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
W
L
A
S
A
L
L
A
I
P
M
L
F
T
M
G
L
Q
N
L
------
S
G
D
G
T
H
P
G
G
L
V
C
T
P
I
--
V
D
T
A
-
T
L
K
V
V
I
Q
V
N
T
F
M
S
-
F
L
F
P
M
L
V
A
S
I
L
N
T
V
I
A
N
K
L
T
----
V
M
V
H
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
---------------
G
-------------------------------------------------
R
V
Q
A
L
R
R
G
----
V
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
L
M
F
C
Y
I
S
DE
Q
W
----
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
V
Y
V
S
A
A
I
-
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
-
A
C
-----------------------------------------------------
22
PsiBlast_CBE
88.95
33%
-165
- C1 -
4BV0
1
NTR1_RAT
B:
[22-326]
-----------------------------------------------------------------------
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
G
V
T
L
F
T
L
A
R
------L
Q
S
R
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
F
A
L
P
V
D
----
V
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
----
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
R
H
P
F
K
H
K
T
----
M
S
R
S
R
T
K
K
F
I
S
A
I
W
L
A
S
A
L
L
A
I
P
M
L
F
T
V
G
L
Q
N
L
------
S
G
D
G
T
H
P
G
G
L
V
C
T
P
I
--
V
D
T
A
-
T
L
K
V
V
I
Q
L
N
T
F
M
S
-
F
L
F
P
M
L
V
A
S
I
L
N
T
V
I
A
R
R
L
T
----
V
M
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
V
Q
A
L
R
R
G
----
V
L
V
L
R
A
M
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
L
M
F
V
Y
I
S
DE
Q
W
----
T
T
A
L
F
D
F
Y
H
Y
F
Y
M
L
S
N
A
L
V
Y
V
S
A
A
I
-
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
A
C
L
C
P
---------------------------------------------------
3
PsiBlast_PDB
88.19
32%
-162
- C1 -
4BUO
10
NTR1_RAT
A:
[21-320]
-----------------------------------------------------------------------
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
F
T
L
A
R
K
K
---
S
L
Q
S
T
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
M
P
V
E
----
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
----
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
W
L
A
S
A
L
L
A
I
P
M
L
F
T
M
G
L
Q
N
L
------
S
G
D
G
T
H
P
G
G
L
V
C
T
P
I
--
V
D
T
A
-
T
L
K
V
V
I
Q
V
N
T
F
M
S
-
F
L
F
P
M
L
V
A
S
I
L
N
T
V
I
A
N
K
L
---
T
V
M
V
H
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
---------------------------------------------------------------------------------------------------------------------------
G
--------------------------------------------------------------------------------------------------
R
V
Q
A
L
R
R
G
----
V
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
L
M
F
C
Y
I
S
DE
Q
W
----
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
V
Y
V
S
A
A
I
-
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
--------------------------------------------------------
23
PsiBlast_CBE
86.14
32%
-163
- C1 -
3ZEV
2
NTR1_RAT
B:
[22-323]
-----------------------------------------------------------------------
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
F
T
L
A
------
S
L
Q
S
T
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
M
P
V
E
----
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
----
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
H
P
F
K
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
W
L
A
S
A
L
L
A
I
P
M
L
F
T
M
G
L
Q
N
L
------
S
G
D
G
T
H
P
G
G
L
V
C
T
P
I
--
V
D
T
A
-
T
L
K
V
V
I
Q
V
N
T
F
M
S
-
F
L
F
P
M
L
V
A
S
I
L
N
T
V
I
A
N
K
L
T
----
V
M
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
---------------
E
----------------
P
---------------
G
-------------------------------------------------
R
V
Q
A
L
R
R
G
----
V
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
L
M
F
C
Y
I
S
DE
Q
W
----
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
V
Y
V
S
A
A
I
-
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
-
A
C
-----------------------------------------------------
27
HHSearch
86.10
22%
-136
- C1 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-442]
----------------------------------------------------------------------
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
GR-------------------------------------------------------------------
N
T------------------
N
GVIT
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
-----------------------------------------------------
21
PsiBlast_CBE
85.98
33%
-161
- C1 -
4BWB
1
NTR1_RAT
B:
[22-323]
-----------------------------------------------------------------------
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
G
V
T
L
F
T
L
A
R
K
K
----S--
R
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
F
A
L
P
V
D
----
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
----
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
H
P
--
A
K
T
L
---
M
S
R
S
R
T
K
K
F
I
S
A
I
W
L
A
S
A
L
L
A
I
P
M
L
F
T
M
G
L
Q
N
L
------
S
G
D
G
T
H
P
G
G
L
V
C
T
P
I
--
V
D
T
A
-
T
L
R
V
V
I
Q
L
N
T
F
M
S
-
F
L
F
P
M
L
V
A
S
I
L
N
T
V
A
A
R
R
L
T
----
V
M
V
H
Q
A
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
---------------
G
-------------------------------------------------
R
V
Q
A
L
R
R
G
----
V
L
V
L
R
A
V
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
L
M
F
V
Y
I
S
DE
Q
W
----
T
T
A
L
F
D
F
Y
H
Y
F
Y
M
L
S
N
A
L
V
Y
V
S
A
A
I
-
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
--------------------------------------------------------
7
PsiBlast_PDB
85.00
29%
-131
- C1 -
4N6H
23
C562_ECOLX (first)
A:
[83-413]
-----------------------
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
G
S
PG
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
-------------------------------------------------
5
PsiBlast_PDB
84.45
29%
-134
- C1 -
4RWA
2
C562_ECOLX (first)
A:
[83-406]
-----------------------
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
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
------------------------------------------------------
30
HHSearch
83.50
21%
-138
- C1 -
3EML
13
ENLYS_BPT4
A:
[24-467]
-----------------------------------------------------------------------
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
----------------------------
G
LRL
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
T------
G
-
T
---------------
W
--------------
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
83.49
21%
-131
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[49-494]
---------------------------------------------------------------------
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
----------------
T
---------------
G
-
T
---------------
W
--------------
D
----------------
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
--------------------------------------------
6
PsiBlast_PDB
82.99
29%
-129
- C1 -
4RWD
7
C562_ECOLX (first)
A:
[83-406]
-----------------------
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
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
------------------------------------------------------
46
Fugue
82.29
22%
-127
- C1 -
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
11
PsiBlast_PDB
81.67
25%
-130
- C1 -
1F88
7
OPSD_BOVIN
A:
[37-342]
--------------------------------------------------------------------
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
--------------------------
12
PsiBlast_PDB
81.60
25%
-144
- C1 -
3DQB
6
GNAT1_BOVIN (first)
A:
[37-326]
--------------------------------------------------------------------
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
---
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
F
T
T
T
----
L
Y
T
-
S
L
H
G
Y
-
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
----
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
-
S
N
F
R
---
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
--
P
L
V
G
W
S
R
Y
-----------
I
P
E
G
M
Q
C
S
C
----
G
I
D
-
Y
Y
T
P
H
E
E
T
N
N
E
S
F
-
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
---------
Q
----------------------------
Q
-------------------------------
Q
------------------------------------------------------------------------------
E
-------------------
S
---------------------------------------------------------------------------------------------------------------------------
A
---------------
T
----------------
T
---------------
Q
-------------------------------------------------------
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
-
Y
A
G
V
A
F
Y
I
F
T
H
--
Q
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
------------------------------------------------
13
PsiBlast_PDB
80.91
25%
-146
- C1 -
3PQR
10
OPSD_BOVIN
A:
[37-326]
--------------------------------------------------------------------
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
---
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
F
T
T
T
----
L
Y
T
-
S
L
H
G
Y
-
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
----
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
-
S
N
F
R
---
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
--
P
L
V
G
W
S
R
Y
-----------
I
P
E
G
M
Q
C
S
C
----
G
I
D
-
Y
Y
T
P
H
E
E
T
N
N
E
S
F
-
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
---------
Q
----------------------------
Q
-------------------------------
Q
------------------------------------------------------------------------------
E
-------------------
S
---------------------------------------------------------------------------------------------------------------------------
A
---------------
T
----------------
T
---------------
Q
-------------------------------------------------------
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
-
Y
A
G
V
A
F
Y
I
F
T
H
--
Q
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
------------------------------------------------