@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 : AGRE1_HUMAN: (2016-01-08 )
MRGFNLLLFWGCCVMHSWEGHIRPTRKPNTKGNNCRDSTLCPAYATCTNTVDSYYCACKQGFLSSNGQNHFKDPGVRCKDIDECSQSPQPCGPNSSCKNLSGRYKCSCLDGFSSPTGNDWVPGKPGNFSCTDINECLTSSVCPEHSDCVNSMGSYSCSCQVGFISRNSTCEDVDECADPRACPEHATCNNTVGNYSCFCNPGFESSSGHLSFQGLKASCEDIDECTEMCPINSTCTNTPGSYFCTCHPGFAPSNGQLNFTDQGVECRDIDECRQDPSTCGPNSICTNALGSYSCGCIAGFHPNPEGSQKDGNFSCQRVLFKCKEDVIPDNKQIQQCQEGTAVKPAYVSFCAQINNIFSVLDKVCENKTTVVSLKNTTESFVPVLKQISTWTKFTKEETSSLATVFLESVESMTLASFWKPSANITPAVRTEYLDIESKVINKECSEENVTLDLVAKGDKMKIGCSTIEESESTETTGVAFVSFVGMESVLNERFFKDHQAPLTTSEIKLKMNSRVVGGIMTGEKKDGFSDPIIYTLENIQPKQKFERPICVSWSTDVKGGRWTSFGCVILEASETYTICSCNQMANLAVIMASGELTMDFSLYIISHVGIIISLVCLVLAIATFLLCRSIRNHNTYLHLHLCVCLLLAKTLFLAGIHKTDNKMGCAIIAGFLHYLFLACFFWMLVEAVILFLMVRNLKVVNYFSSRNIKMLHICAFGYGLPMLVVVISASVQPQGYGMHNRCWLNTETGFIWSFLGPVCTVIVINSLLLTWTLWILRQRLSSVNAEVSTLKDTRLLTFKAFAQLFILGCSWVLGIFQIGPVAGVMAYLFTIINSLQGAFIFLIHCLLNGQVREEYKRWITGKTKPSSQSQTSRILLSSMPSASKTG
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.......430.......440...-....450........460.......470.......480.......490----..----......500.......510.......520......-.530.......540.......550..--.....--560.......570.......580.......590.......600.......610.......620.......630.......640.......-650...-------....660.......670.......680.......690.......700.......710.......720.......730...-.-...740..-...---------.-----.750---.........760.......770.......780..---.....790.......800...-....810......-----.820------.----.-------.......830.......840.......850.......860.......870.......880....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MRGF
N
L
L
L
F
W
G
C
C
V
M
HSWEGHIRPTRKPNTKGNNCRDSTLCP
A
Y
A
T
C
TN
T
V
-
D
S
Y
Y
C
-
A
C
K
Q
G
F
LSSNGQNHFKDPGVRCK
D
I
D
E
CSQSPQPCGPN---S
S
C
KNLS-G
R
Y
K
C
-
S
-CLDGFSSPTGNDWVP--GKPGNF
S
C
T
D
I
N
E
C
L
T
-
S
SVCP
E
---
H
S
D
C
V
N
S
----MGSY
S
C
S
-
C
Q
V
G
F
I
SRN-------------S
T
C
E
-
D
V
D
ECAD-PRACPEHATCNNT----VGN
Y
S
C
F
CNPGFESSSG
H
L
S
FQ
G
L
K
A
S
C
E
D
I
D
E
C
T
EMCPIN----STCTNTPG
S
Y
F
C
T
CHPGFAPSNG
Q
L
NFTDQGVE-CR
D
I
D
E
C
RQDPSTCG
P
N
S
I
C
T
N
ALGSYSCGCIAGFHPNPEGSQKDGN
F
S
C
Q
R
------------------
V
L
F
K
C
K
E
DVIPD
N
K
Q
I
Q
Q
C
QEGTAV
K
P
A
------
Y
V
S
F
C
A
Q
I
N
N
I
F
S
V
L
D
K
V
CEN-----K
T
T
V
V
S
LKNT
T
E
S
F
V
P
V
L
K
Q
I
------
S
T
W
T
K
F
T
K
E
E
T
S
S
L
A
T
V
F
L
E
S
V
E
--
S
M
T
L
A
S
FWKPSANITPA
V
R
T
E
Y
L
D
I
E
S
K
VINKECS-EEN
V
T
L
-
D
L
V
AKGD
K
M
K
I
GCSTIEESESTETTG
V
A
F
V
S
F
V
G
M
E
S
V
L
N
-----
E
R
----
F
F
K
DHQAPLTT
S
E
I
K
L
K
MN
S
R
V
V
G
G
I
MTGEKKDGF-SD
P
I
I
Y
T
LENI
Q
P
K
Q
KFER
P
I
C
V
SWS--TDVKG--
G
R
W
T
S
F
G
C
V
I
L
EASE
T
Y
T
I
C
SCNQMA
N
L
A
V
I
M
AS
G
E
L
T
M
D
F
S
L
Y
I
I
S
H
V
G
I
I
I
S
L
V
C
L
V
L
A
I
A
T
F
L
L
C
R
S
IRNHN
T
Y
L
H
L
H
L
C
V
C
L
L
L
A
K
-
T
L
F
L
A
G-------IHKTDNKM
G
C
A
I
I
A
G
F
L
H
Y
L
F
L
A
C
F
F
W
M
L
V
E
A
V
I
L
F
L
M
V
RN
L
K
V
V
N
Y
FSSRN
I
K
M
L
H
I
CAFGYG
L
P
M
L
V
V
V
I
SASVQPQG-Y-GMH
N
R
C
W
L
-NTE---------T-----
G
F
-----
I
W
S
F
L
G
P
V
C
T
V
I
V
I
N
S
L
L
L
T
W
T
L
W
I
L
R
Q
R
L
S
SVN---A
E
V
S
TLKDT
R
L
L
T
F
K
A
F
A
Q
L
F
-
I
L
G
C
S
W
V
L
G
I
F
QI-----G
P
--------
V
----
A
-------
G
V
M
A
Y
L
F
T
I
I
N
SL
Q
G
A
F
I
F
L
I
H
C
L
LN
G
Q
V
R
E
E
Y
K
R
W
ITGKTKPSSQ
S
Q
T
S
R
I
L
L
SSMPSASKTG
58
Fugue
76.63
14%
-49
- C6 -
4DLQ
16
A:
[18-381]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
S
P
E
L
F
C
E
P
R
E
V
R
R
V
Q
W
P
A
T
Q
Q
G
-
M
L
V
E
R
P
C
P
K
G
T
R
G
I
A
S
F
Q
C
L
P
ALGLWNPRGPDLSN
C
T
S
P
W
V
N
Q
V
A
Q
K
I
K
S
G
E
N
A
A
N
I
A
S
E
L
A
R
H
T
R
G
SIY
A
G
D
V
S
S
S
V
K
L
M
E
Q
L
L
D
I
L
D
A
Q
L
Q
A
L
RN
K
M
H
K
R
E
R
T
C
K
D
Y
I
K
A
V
V
E
T
V
D
N
L
L
RPEA
L
E
S
W
K
D
M
N
A
T
E
Q
V
H
T
A
T
M
L
L
D
V
L
E
--
E
G
A
F
L
L
A
D
N
V
R
E
P
A
R
F
L
A
A
K
Q
N
V
V
L
E
V
T
V
L
S
T
E
G
Q
-
V
Q
E
L
V
F
P
Q
E
Y
A
S
E
S
S
I
Q
L
S
A
N
T
I
K
Q
N
S
R
N
G
V
V
K
V
V
F
I
L
Y
N
N
L
G
L
F
L
S
TENAT
V
K
----
L
A
G
E
A
G
T
G
G
P
G
G
A
S
L
V
V
N
S
Q
V
I
A
A
S
I
N
K
E
S
S
R
V
F
L
-
M
D
P
V
I
F
T
V
A
H
L
E
A
-
K
N
H
F
N
A
N
C
S
F
W
N
Y
S
E
R
S
M
L
--
G
Y
W
S
T
Q
G
C
R
L
V
E
S
N
K
T
H
T
T
C
A
C
S
H
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
62.98
37%
-15
- C4 -
2BOX
4
AGRE2_HUMAN
A:
[7-129]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
W
C
P
Q
D
S
S
C
V
N
A
----
T
---
A
C
R
C
N
P
G
F
S
S
F
S
E
I
I
T
T
P
--
M
E
T
C
D
D
I
N
E
C
A
T
----
S
CGKF
S
D
C
W
N
T
E
G
S
Y
D
C
V
C
S
P
G
Y
E
P
V
S
G
A
K
T
F
K
N
E
S
E
N
T
C
Q
D
V
D
E
C
S
S
G
Q
H
Q
C
D
S
S
T
V
C
F
N
T
V
G
S
Y
S
C
R
C
--
G
W
K
P
R
H
G
I
P
N
N
Q
K
D
T
V
C
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
62.67
21%
-26
* C6 *
4DLQ
14
A:
[177-381]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
------
E
S
W
K
D
M
N
A
T
E
Q
V
H
T
A
T
M
L
L
D
V
L
E
E
G
A
F
L
L
A
D
N
V
R
E
P
A
R
F
L
A
A
K
Q
N
V
V
L
E
V
--
T
V
L
S
T
E
G
Q
V
Q
E
L
V
F
P
-
Q
E
Y
A
S
E
S
S
I
Q
L
S
A
N
T
I
K
Q
N
S
R
N
G
V
V
K
V
V
F
I
L
Y
N
N
L
G
L
F
L
S
-----
T
E
NATV
K
L
A
G
E
A
G
T
G
G
P
G
G
A
S
L
V
V
N
S
Q
V
I
A
A
S
I
N
K
E
S
S
R
V
F
L
M
D
P
V
I
F
T
V
A
H
L
E
A
K
N
H
F
N
-
A
N
C
S
F
W
N
--
Y
S
E
R
S
M
L
G
Y
W
S
T
Q
G
C
R
L
V
E
S
N
K
T
H
T
T
C
A
C
S
H
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
62.07
37%
-23
- C4 -
2BO2
2
AGRE2_HUMAN
B:
[7-129]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
W
C
P
Q
D
S
S
C
V
N
A
----
T
---
A
C
R
C
N
P
G
F
S
S
F
S
E
I
I
T
T
P
--
M
E
T
C
D
D
I
N
E
C
A
T
L
S
--
S
CGKF
S
D
C
W
N
T
E
G
S
Y
D
C
V
C
S
P
G
Y
E
P
V
S
G
A
K
T
F
K
N
E
S
E
N
T
C
Q
D
V
D
E
C
S
S
G
Q
H
Q
C
D
S
S
T
V
C
F
N
T
V
G
S
Y
S
C
R
C
R
P
G
W
K
P
R
H
G
I
P
N
N
Q
K
D
T
V
C
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
61.22
37%
-16
- C4 -
2BOU
5
AGRE2_HUMAN
A:
[7-129]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
W
C
P
Q
D
S
S
C
V
N
A
----
T
---
A
C
R
C
N
P
G
F
S
S
F
S
E
I
I
T
T
P
--
M
E
T
C
D
D
I
N
E
C
A
T
----
S
CGKF
S
D
C
W
N
T
E
G
S
Y
D
C
V
C
S
P
G
Y
E
P
V
S
G
A
K
T
F
K
N
E
S
E
N
T
C
Q
D
V
D
E
C
S
S
G
Q
H
Q
C
D
S
S
T
V
C
F
N
T
V
G
S
Y
S
C
R
C
R
P
G
W
K
P
R
H
G
I
P
N
N
Q
K
D
T
V
C
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
60.51
37%
-27
- C4 -
2BO2
3
AGRE2_HUMAN
A:
[7-129]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
W
C
P
Q
D
S
S
C
V
N
A
----
T
---
A
C
R
C
N
P
G
F
S
S
F
S
E
I
I
T
T
P
--
M
E
T
C
D
D
I
N
E
C
A
T
L
S
K
V
S
CGKF
S
D
C
W
N
T
E
G
S
Y
D
C
V
C
S
P
G
Y
E
P
V
S
G
A
K
T
F
K
N
E
S
E
N
T
C
Q
D
V
D
E
C
S
S
G
Q
H
Q
C
D
S
S
T
V
C
F
N
T
V
G
S
Y
S
C
R
C
R
P
G
W
K
P
R
H
G
I
P
N
N
Q
K
D
T
V
C
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
HHSearch
60.41
11%
-153
- C5 -
2KS9
1
NK1R_HUMAN
A:
[36-324]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
EHP------
N
KIY
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
SSD
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
NP
D
LYLKKFI
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
13
PsiBlast_PDB
56.72
26%
-130
- C5 -
4L6R
1
GLR_HUMAN
A:
[207-394]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
C
R
V
A
A
V
F
M
Q
Y
G
I
V
A
N
Y
C
W
L
L
V
E
G
----
L
Y
L
H
N
L
L
G
L
A
T
L
P
E
R
S
F
F
S
L
Y
L
-
G
I
G
W
G
A
P
M
L
F
V
V
P
W
A
V
V
K
C
L
F
-
E
-
N
V
--
Q
C
W
T
S
N
D
N
---------
M
-----
G
F
-----
W
W
I
L
R
F
P
V
F
L
A
I
L
I
N
F
F
I
F
V
R
I
V
Q
L
L
V
A
K
L
R
A
R
Q
---
M
H
H
T
---
D
Y
K
F
R
L
A
K
S
T
L
T
L
I
P
L
L
G
V
H
E
V
V
F
A
F
V
T
DEHAQ
G
T
--------
L
----
R
-------
S
A
K
L
F
F
D
L
F
L
S
S
F
Q
G
L
L
V
A
V
L
Y
C
F
L
N
K
E
V
Q
S
E
L
R
R
R
W
H
R
W
R
L
G
K
V
L
W
E
E
R
N
-------------
39
HHSearch
55.63
12%
-155
- C5 -
1U19
14
OPSD_BOVIN
A:
[43-327]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
TPHEETN
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
QGSD
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
T
E
T
S
Q
V
A
P
A
55
HHSearch
53.96
29%
-51
- C4 -
1YO8
3
A:
[4-140]
-----------------------------------------------------------------------------------
D
G
C
L
S
--
N
P
C
F
P
G
---
A
Q
C
S
S
F
P
D
G
S
W
S
C
G
F
-
C
P
V
G
F
L
G
N
G
-------------
T
H
C
E
D
L
D
E
C
A
L
V
P
D
I
C
F
S
TSK
V
P
R
C
V
N
T
----
Q
P
G
F
H
C
L
P
C
P
P
R
Y
R
G
N
Q
P
V
G
V
G
L
E
A
A
K
T
E
K
Q
V
C
E
-
P
E
N
P
C
K
D
K
T
H
N
C
H
K
H
A
E
C
I
Y
L
GHFS
D
P
M
Y
K
C
E
C
Q
T
G
Y
A
G
D
G
L
I
C
G
E
D
S
D
L
D
G
W
P
N
L
N
L
V
C
A
T
N
A
T
Y
----
H
C
I
K
D
N
C
P
H
L
P
N
S
G
Q
E
D
F
D
K
D
G
I
G
D
A
C
D
D
D
D
D
N
-
D
G
V
T
D
E
K
D
N
C
Q
L
L
F
N
P
R
Q
A
D
Y
D
K
D
E
V
G
D
R
C
D
N
C
P
Y
V
H
N
P
A
Q
I
D
T
D
N
N
G
E
G
D
A
------------------
C
S
V
D
I
D
G
D
D
V
F
N
E
R
D
N
C
P
Y
V
Y
N
T
D
Q
R
D
T
------
D
G
D
G
V
G
D
H
C
D
N
C
P
L
V
H
N
P
D
Q
T
-----
D
V
D
N
D
L
V
G
D
Q
C
D
N
N
E
D
I
D
D
D
G
------
H
Q
N
N
Q
D
N
C
P
Y
I
S
N
A
N
Q
A
D
H
D
R
D
G
--
Q
G
D
A
C
D
P
D
D
D
N
D
G
V
P
D
D
R
D
N
C
R
L
V
F
N
P
D
Q
E
D
L
D
G
D
-
G
R
G
D
I
C
-
K
D
D
F
D
N
D
N
I
P
D
I
D
D
V
C
P
E
N
N
A
I
S
E
T
D
F
R
N
F
Q
M
V
P
L
D
P
K
G
T
-----
T
Q
----
I
D
P
N
W
V
I
R
H
Q
G
K
E
L
V
Q
T
A
N
S
D
P
G
I
A
V
G
F
D
E
F
G
S
V
D
-
F
S
G
T
F
Y
V
N
T
D
R
D
D
D
Y
A
G
F
V
F
G
Y
Q
S
S
S
--
R
F
Y
V
V
--
M
W
K
Q
V
T
Q
T
Y
W
E
D
Q
P
T
R
A
Y
G
Y
S
G
V
S
L
K
V
V
N
S
T
T
G
T
G
E
H
L
R
N
A
L
W
H
T
G
N
T
P
G
Q
V
R
T
L
W
H
D
P
R
N
I
G
W
K
D
Y
T
A
Y
R
W
H
L
T
H
R
P
K
T
G
Y
I
R
V
L
V
H
E
G
-
K
Q
V
M
A
D
-------
S
G
P
I
Y
D
Q
T
Y
A
G
G
R
L
G
L
F
V
F
S
Q
E
M
V
Y
F
S
D
L
K
Y
E
C
R
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
53.25
30%
-21
- C4 -
4XLW
7
NOTC1_RAT
A:
[3-115]
-----------------------------------------------------------------------------------
D
E
C
A
L
G
A
N
P
C
E
H
A
---
G
K
C
L
N
T
L
-
G
S
F
E
C
-
Q
-
C
L
Q
G
Y
T
G
P
R
C
E
--------------
I
D
V
N
E
C
I
--
S
N
P
C
Q
N
---
D
A
T
C
L
D
Q
----
I
G
E
F
Q
C
I
-
C
M
P
G
Y
--
E
G
-------------
V
Y
C
E
I
N
T
D
E
C
A
S
--
S
P
C
L
H
N
G
R
C
V
D
K
----
I
N
E
F
L
C
Q
C
P
K
G
F
---
S
G
H
L
C
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
53.02
30%
-20
- C4 -
2VJ3
8
A:
[3-116]
--------------------------------------------------------------------------------
Q
D
V
D
E
C
S
L
G
A
N
P
C
E
H
A
---
G
K
C
I
N
T
L
-
G
S
F
E
C
-
Q
-
C
L
Q
G
Y
T
G
P
R
C
E
--------------
I
D
V
N
E
C
V
--
S
N
P
C
Q
N
---
D
A
T
C
L
D
Q
----
I
G
E
F
Q
C
I
-
C
M
P
G
Y
--
E
G
-------------
V
H
C
E
V
N
T
D
E
C
A
S
--
S
P
C
L
H
N
G
R
C
L
D
K
----
I
N
E
F
Q
C
E
C
P
T
G
F
---
T
G
H
L
C
Q
V
D
L
H
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
53.00
30%
-10
- C4 -
4CUF
4
A:
[4-116]
---------------------------------------------------------------------------------
D
V
D
E
C
S
L
G
A
N
P
C
E
H
A
---
G
K
C
I
N
T
L
-
G
S
F
E
C
-
Q
-
C
L
Q
G
Y
T
G
P
R
C
E
--------------
I
D
V
N
E
C
V
--
S
N
P
C
Q
N
---
D
A
S
C
L
D
Q
----
I
G
E
F
Q
C
I
-
C
M
P
G
Y
--
E
G
-------------
V
H
C
E
V
N
T
D
E
C
A
S
--
S
P
C
L
H
N
G
R
C
L
D
K
----
I
N
E
F
Q
C
E
C
P
T
G
F
---
T
G
H
L
C
Q
V
D
L
H
H
I
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
HHSearch
52.96
28%
-44
- C4 -
1YO8
4
A:
[4-145]
--------------------------------
D
G
C
L
-
S
N
P
C
F
P
G
A
Q
C
S
S
F
P
D
G
S
W
S
C
G
F
C
P
V
G
F
L
G
N
---------
G
T
H
C
E
D
L
D
E
C
A
L
V
P
D
I
C
F
S
T
SKV
P
R
C
V
N
T
Q
-
P
G
F
H
C
-
L
P
C
P
P
R
Y
R
G
N
Q
P
V
G
V
G
L
E
A
A
K
T
E
K
Q
V
C
E
P
E
N
P
C
K
D
K
T
H
N
C
H
K
---
H
A
E
C
I
Y
L
GHFS
D
P
M
Y
K
C
E
-
C
Q
T
G
Y
A
G
D
G
-------------
L
I
C
G
-
E
D
S
D
L
D
G
-
W
P
N
L
N
L
V
C
A
T
N
A
T
----
Y
H
C
I
K
D
N
C
P
H
L
P
N
S
G
Q
E
D
F
D
K
D
G
I
G
D
A
C
D
D
D
D
D
N
D
G
V
T
D
E
K
----
D
N
C
Q
L
L
F
N
P
R
Q
A
D
Y
D
K
D
E
V
G
D
R
C
D
N
C
P
Y
V
H
N
P
A
-
Q
I
D
T
D
N
N
G
E
G
D
A
C
S
V
D
I
D
G
D
D
V
F
N
E
R
D
N
C
P
Y
V
Y
N
T
D
Q
R
D
T
D
G
D
G
V
G
D
H
C
D
N
C
------------------
P
L
V
H
N
P
D
Q
T
D
V
D
N
D
L
V
G
D
Q
C
D
N
N
E
D
I
D
D
------
D
G
H
Q
N
N
Q
D
N
C
P
Y
I
S
N
A
N
Q
A
D
H
-----
D
R
D
G
Q
G
D
A
C
D
P
D
D
D
N
D
G
V
P
D
D
------
R
D
N
C
R
L
V
F
N
P
D
Q
E
D
L
D
G
D
G
R
G
D
I
--
C
K
D
D
F
D
N
D
N
I
P
D
I
D
D
V
C
P
E
N
N
A
I
S
E
T
D
F
R
N
F
Q
M
V
P
-
L
D
P
K
G
T
-
T
Q
I
D
P
N
W
V
I
R
H
Q
G
K
E
L
V
Q
T
A
N
S
D
P
G
I
A
V
G
F
D
E
F
G
S
V
D
F
S
G
-----
T
F
----
Y
V
N
T
D
R
D
D
D
Y
A
G
F
V
F
G
Y
Q
S
S
S
R
F
Y
V
V
M
W
K
Q
V
T
Q
T
Y
-
W
E
D
Q
P
T
R
A
Y
G
Y
S
G
V
S
L
K
V
V
N
S
T
T
G
T
G
--
E
H
L
R
N
--
A
L
W
H
T
G
N
T
P
G
Q
V
R
T
L
W
H
D
P
R
N
I
G
W
K
D
Y
T
A
Y
R
W
H
L
T
H
R
P
K
T
G
Y
I
R
V
L
V
H
E
G
K
Q
V
M
A
D
S
G
P
I
Y
D
Q
T
Y
A
G
G
R
L
G
L
F
V
F
S
Q
E
M
V
Y
F
S
D
L
K
Y
E
C
R
-
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
52.58
30%
-11
- C4 -
4XL1
9
NOTC1_RAT
A:
[4-118]
-----------------------------------------------------------------------------------
D
E
C
A
L
G
A
N
P
C
E
H
A
---
G
K
C
L
N
T
L
-
G
S
F
E
C
-
Q
-
C
L
Q
G
Y
T
G
P
R
C
E
--------------
I
D
V
N
E
C
I
--
S
N
P
C
Q
N
---
D
A
T
C
L
D
Q
----
I
G
E
F
Q
C
I
-
C
M
P
G
Y
--
E
G
-------------
V
Y
C
E
I
N
T
D
E
C
A
S
--
S
P
C
L
H
N
G
R
C
V
D
K
----
I
N
E
F
L
C
Q
C
P
K
G
F
---
S
G
H
L
C
Q
S
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
52.10
30%
-12
- C4 -
4CUE
3
?
A:
[4-116]
---------------------------------------------------------------------------------
D
V
D
E
C
S
L
G
A
N
P
C
E
H
A
---
G
K
C
I
N
T
L
-
G
S
F
E
C
-
Q
-
C
L
Q
G
Y
T
G
P
R
C
E
--------------
I
D
V
N
E
C
V
--
S
N
P
C
Q
N
---
D
A
V
C
L
D
Q
----
I
G
E
F
Q
C
I
-
C
M
P
G
Y
--
E
G
-------------
V
H
C
E
V
N
T
D
E
C
A
S
--
S
P
C
L
H
N
G
R
C
L
D
K
----
I
N
E
F
Q
C
E
C
P
T
G
F
---
T
G
H
L
C
Q
V
D
L
H
H
I
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
52.01
30%
-9
- C4 -
4D0F
4
A:
[3-116]
--------------------------------------------------------------------------------
Q
D
V
D
E
C
S
L
G
A
N
P
C
E
H
A
---
G
K
C
I
N
T
L
-
G
S
F
E
C
-
Q
-
C
L
Q
G
Y
T
G
P
R
C
E
--------------
I
D
V
N
E
C
V
--
S
N
P
C
Q
N
---
D
A
A
C
L
D
Q
----
I
G
E
F
Q
C
I
-
C
M
P
G
Y
--
E
G
-------------
V
H
C
E
V
N
T
D
E
C
A
S
--
S
P
C
L
H
N
G
R
C
L
D
K
----
I
N
E
F
Q
C
E
C
P
T
G
F
---
T
G
H
L
C
Q
V
D
L
H
H
I
L
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
51.24
30%
-14
- C4 -
4CUD
5
?
A:
[4-116]
---------------------------------------------------------------------------------
D
V
D
E
C
S
L
G
A
N
P
C
E
H
A
---
G
K
C
I
N
T
L
-
G
S
F
E
C
-
Q
-
C
L
Q
G
Y
T
G
P
R
C
E
--------------
I
D
V
N
E
C
V
--
S
N
P
C
Q
N
---
D
A
T
C
L
D
Q
----
I
G
E
F
Q
C
I
-
C
M
P
G
Y
--
E
G
-------------
V
H
C
E
V
N
T
D
E
C
A
S
--
S
P
C
L
H
N
G
R
C
L
D
K
----
I
N
E
F
Q
C
E
C
P
T
G
F
---
T
G
H
L
C
Q
V
D
L
H
H
I
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
50.07
30%
-12
- C4 -
4D0E
5
A:
[4-116]
---------------------------------------------------------------------------------
D
V
D
E
C
S
L
G
A
N
P
C
E
H
A
---
G
K
C
I
N
T
L
-
G
S
F
E
C
-
Q
-
C
L
Q
G
Y
T
G
P
R
C
E
--------------
I
D
V
N
E
C
V
--
S
N
P
C
Q
N
---
D
A
T
C
L
D
Q
----
I
G
E
F
Q
C
I
-
C
M
P
G
Y
--
E
G
-------------
V
H
C
E
V
N
T
D
E
C
A
S
--
S
P
C
L
H
N
G
R
C
L
D
K
----
I
N
E
F
Q
C
E
C
P
T
G
F
---
T
G
H
L
C
Q
V
D
L
H
H
I
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
49.85
32%
-169
- C5 -
4K5Y
2
CRFR1_HUMAN (first)
C:
[19-107]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
I
N
Y
L
G
H
C
I
S
L
V
A
L
L
V
A
F
V
L
F
L
R
A
R
S
I
R
C
L
R
N
I
I
H
A
N
L
I
A
A
F
I
L
R
N
A
T
W
F
V
V
Q
L
T
MS
P
E
-
V
H
Q
S
-
N
V
G
W
C
R
L
V
T
A
A
Y
N
Y
F
H
V
T
N
F
F
W
M
F
G
E
G
C
Y
L
H
T
A
I
V
L
T
D
R
L
R
A
W
M
F
I
C
I
G
W
G
V
P
F
P
I
I
V
A
W
A
I
G
K
L
Y
Y
D
N
E
K
C
W
A
G
-
K
-
R
P
G
V
Y
T
D
Y
-
I
Y
Q
---------
G
-----
P
M
-----
A
L
V
L
L
I
N
F
I
F
L
F
N
I
V
R
I
L
M
T
K
L
R
A
S
T
T
S
E
T
I
Q
A
R
---
K
A
V
K
A
T
L
V
L
L
P
L
L
G
I
T
Y
M
L
A
F
-
V
N
P
G
E
D
E
V
S
R
V
V
F
-----
I
Y
--------
F
----
N
-------
A
F
L
E
S
F
Q
G
F
F
V
S
V
F
A
C
F
L
N
---------------------------------------------