@TOME V2.2
(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 : CTR3_HUMAN: (2015-12-07 )
MPWQAFRRFGQKLVRRRTLESGMAETRLARCLSTLDLVALGVGSTLGAGVYVLAGEVAKDKAGPSIVICFLVAALSSVLAGLCYAEFGARVPRSGSAYLYSYVTVGELWAFTTGWNLILSYVIGTASVARAWSSAFDNLIGNHISKTLQGSIALHVPHVLAEYPDFFALGLVLLLTGLLALGASESALVTKVFTGVNLLVLGFVMISGFVKGDVHNWKLTEEDYELAMAELNDTYSLGPLGSGGFVPFGFEGILRGAATCFYAFVGFDCIATTGEEAQNPQRSIPMGIVISLSVCFLAYFAVSSALTLMMPYYQLQPESPLPEAFLYIGWAPARYVVAVGSLCALSTSLLGSMFPMPRVIYAMAEDGLLFRVLARIHTGTRTPIIATVVSGIIAAFMAFLFKLTDLVDLMSIGTLLAYSLVSICVLILRYQPDQETKTGEEVELQEEAITTESEKLTLWGLFFPLNSIPTPLSGQIVYVCSSLLAVLLTALCLVLAQWSVPLLSGDLLWTAVVVLLLLLIIGIIVVIWRQPQSSTPLHFKVPALPLLPLMSIFVNIYLMMQMTAGTWARFGVWMLIGFAIYFGYGIQHSLEEIKSNQPSRKSRAKTVDLDPGTLYVHSV
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.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-M
P
W
Q
A
F
R
R
F
G
Q
K
L
V
R
R
R
T
L
E
S
G
M
A
E
T
R
L
A
R
C
L
S
T
L
D
L
V
A
L
GVGSTLG
A
G
V
Y
V
L
AG
E
V
AKDKAGP
S
I
V
I
C
F
L
V
A
A
L
S
S
V
L
A
G
L
C
Y
A
E
F
GARVPRSG
S
A
Y
L
Y
S
Y
V
T
VG
E
-
L
W
-
A
FTT
G
W
N
L
I
L
---
S
Y
-
V
IG
T
-
A
S
V
A
R
A
W
S
S
A
F
D
N
L
I
G
N
H
I
S
K
T
LQG
S
I
A
L
H
V
P
H
V
L
A
EY
P
D
F
F
A
L
G
L
V
L
L
L
T
G
--
L
L
ALGAS
E
S
A
L
V
T
K
V
F
T
G
V
N
L
L
V
L
G
F
V
M
I
S
G
F
VKGD-VHN
W
K
L
T
E
E
D
Y
E
L
A
M
A
ELN--DTYSLGPLGSGGFVPF
G
F
E
G
---
I
L
R
G
A
-
A
T
C
F
Y
A
F
VG
F
D
C
IATTGEEAQNPQRSI--PM
G
I
V
I
S
L
S
V
C
F
L
A
Y
F
A
V
-
S
S
A
L
T
---
L
MMP
Y
Y
---------------Q-LQ--PESPLP
E
A
F
L
-------
Y
I
GWAP-----
A
R
Y
V
V
-----
A
V
G
S
L
C
---
A
L
S
---
T
S
L
L
G
SMF-PM
P
R
V
I
Y
A
MAED
G
L
L
F
R
V
L
A
R
I
HTGTRT
P
I
I
A
T
V
V
S
G
I
I
--
A
A
F
M
A
F
L
-------
F
K
L
T
D
L
V
D
L
M
S
I
G
T
L
L
A
Y
S
L
V
--
S
I
C
V
L
I
LRYQPDQETKTGEE
V
E
L
Q
--------
E
E
AITTES
E
K
L
T
L
W
G
L
F
F
PLNSIPTPLS
G
Q
I
V
Y
V
C
S
S
L
L
A
V
L
L
T
A
L
C
L
V
L
A
Q
WSVPLLSG
D
L
L
W
T
A
V
V
V
L
L
L
L
L
I
I
G
I
I
V
V
IWRQPQSST
P
L
H
F
KVP---A
L
P
L
L
P
L
M
S
I
F
V
N
I
Y
L
----
M
M
QMTAG
T
W
A
R
F
G
V
W
M
L
I
G
F
A
I
Y
F
GY
G
I
Q
H
S
L
E
E
I
KSNQPSRKSRA
K
T
V
DLDPG
T
L
Y
V
HSV
26
Fugue
97.36
20%
-122
- C2 -
3GIA
7
Y609_METJA
A:
[3-435]
---------------------------
L
K
N
K
K
L
S
L
W
E
A
V
S
M
A
V
G
V
M
I
G
A
S
I
F
S
I
F
G
V
G
A
K
-
I
A
G
R
N
L
P
E
T
F
I
L
S
G
I
Y
A
L
L
V
A
Y
S
Y
T
K
L
G
A
K
I
V
S
N
A
G
P
I
A
F
I
H
K
A
I
G
D
N
I
I
-
T
G
A
L
S
I
L
L
W
M
---
S
Y
-
V
I
S
I
-
A
L
F
A
K
G
F
A
G
Y
F
L
P
L
I
N
A
P
I
N
---------------
T
F
N
I
A
I
T
E
I
G
I
V
A
F
F
T
A
--
L
N
F
F
G
S
K
A
V
G
R
A
E
F
F
I
V
L
V
K
L
L
I
L
G
L
F
I
F
A
G
L
I
T
I
H
-
P
S
Y
V
I
P
D
--------------------------
L
A
P
S
A
V
S
G
---
M
I
F
A
S
-
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
--
P
R
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
-
A
I
S
A
I
---
G
N
L
P
I
D
---------------
E
-
L
I
K
A
S
E
N
A
L
A
V
A
A
K
-------
P
F
L
G
N
L
-----
G
F
L
L
I
-----
S
I
G
A
L
F
---
S
I
S
---
S
A
M
N
A
T
I
Y
-
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
E
F
F
E
R
K
V
W
F
K
S
T
E
G
L
Y
I
T
--
S
A
L
--
G
V
L
F
A
L
L
-------
F
N
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
--
I
L
S
H
Y
I
L
I
D
E
V
---------------------------------------------------------------------------------------------------------------
G
G
R
K
E
I
V
---
I
F
S
F
I
V
V
L
G
V
F
L
L
L
L
Y
----
Y
Q
W
I
T
N
R
F
V
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
Y
V
K
S
------------------
17
HHSearch
92.95
22%
-118
- C2 -
3GIA
6
Y609_METJA
A:
[3-370]
---------------------------
L
K
N
K
K
L
S
L
W
E
A
V
S
M
A
V
G
V
M
I
G
A
S
I
F
S
I
F
G
V
G
A
K
-
I
A
G
R
N
L
P
E
T
F
I
L
S
G
I
Y
A
L
L
V
A
Y
S
Y
T
K
L
G
A
K
I
V
S
N
A
G
P
I
A
F
I
H
K
A
I
G
D
-
N
I
I
T
G
A
L
S
I
L
L
W
M
---
S
Y
-
V
I
S
I
-
A
L
F
A
K
G
F
A
G
Y
F
L
P
L
I
N
A
P
I
N
------------
T
---
F
N
I
A
I
T
E
I
G
I
V
A
F
F
T
A
--
L
N
F
F
G
S
K
A
V
G
R
A
E
F
F
I
V
L
V
K
L
L
I
L
G
L
F
I
F
A
G
L
I
T
I
H
-
P
S
Y
V
I
P
--------------------------
D
L
A
P
S
A
V
S
G
---
M
I
F
A
S
-
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
--
P
R
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
-
A
I
S
A
I
---
G
N
L
P
I
D
---------------
E
-
L
I
K
A
S
E
N
A
L
A
V
A
A
K
-------
P
F
L
G
N
L
-----
G
F
L
L
I
-----
S
I
G
A
L
F
---
S
I
S
---
S
A
M
N
A
T
I
Y
-
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
E
F
F
E
R
K
V
-
W
F
K
S
T
-
E
G
L
Y
I
T
S
A
L
--
G
V
L
F
A
L
L
-------
F
N
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
--
I
L
S
H
Y
I
L
I
D
E
V
G
G
R
K
E
I
V
I
F
S
F
I
V
--------
V
L
G
V
F
L
L
L
L
Y
Y
Q
W
I
T
N
R
F
V
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
Y
V
K
S
--------------------------------------------------------------------------------------------------------------------------------
18
HHSearch
87.38
18%
-126
- C2 -
3L1L
2
ADIC_ECO57
A:
[7-380]
-----------------------------
A
H
K
V
G
L
I
P
V
T
L
M
V
S
G
A
I
M
G
S
G
V
F
L
L
P
A
N
L
A
S
--
T
G
G
I
A
I
Y
G
W
L
V
T
I
I
G
A
L
G
L
S
M
V
Y
A
K
M
S
F
L
D
P
S
P
G
G
S
Y
A
Y
A
R
R
C
F
G
P
-
F
L
-
G
Y
Q
T
N
V
L
Y
W
L
---
A
C
-
W
I
G
N
-
I
A
M
V
V
I
G
V
G
Y
L
S
Y
F
F
P
I
L
K
D
------------
P
---
W
V
L
T
I
T
C
V
V
V
L
W
I
F
V
L
--
L
N
I
V
G
P
K
M
I
T
R
V
Q
A
V
A
T
V
L
A
L
I
P
I
V
G
I
A
V
F
G
W
F
W
F
R
-
G
E
T
Y
M
A
----------------------------------
A
---
I
Q
S
T
L
-
N
V
T
L
W
S
F
I
G
V
E
S
A
S
V
A
A
G
V
V
K
N
P
K
R
N
V
--
P
I
A
T
I
G
G
V
L
I
A
A
V
C
Y
V
L
S
-
T
T
A
I
M
---
G
M
I
P
N
A
---------------
A
-
L
R
V-
S
A
S
P
F
G
D
A
A
R
-------
M
A
L
G
D
T
-----
A
G
A
I
V
-----
S
F
C
A
A
A
---
G
C
L
---
G
S
L
G
G
W
T
L
-
L
A
G
Q
T
A
K
A
A
A
D
D
G
L
F
P
P
I
F
A
R
V
N
-
K
A
G
T
P
V
A
G
L
I
I
V
G
I
L
--
M
T
I
F
Q
L
S
SISPNAT
K
E
F
G
L
V
S
S
V
S
V
I
F
T
L
V
P
Y
L
Y
T
--
C
A
A
L
L
L
L
G
H
G
H
F
G
K
A
R
P
A
Y
L
A
V
T
T
--------
I
A
F
L
Y
C
I
W
A
V
V
G
S
G
A
K
E
V
M
W
S
F
V
T
L
M
V
I
T
A
M
Y
A
L
N
Y
N
R
L
H
K
N
P
Y
P
L
D
A
-------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
79.39
22%
-118
- C2 -
3GI9
-
Y609_METJA
C:
[6-314]
------------------------------
K
K
L
S
L
W
E
A
V
S
M
A
V
G
V
M
I
G
A
S
I
F
S
I
F
G
V
G
A
K
I
-
A
G
R
N
L
P
E
T
F
I
L
S
G
I
Y
A
L
L
V
A
Y
S
Y
T
K
L
G
A
K
I
V
S
N
A
G
P
I
A
F
I
H
K
A
I
G
D
----
N
I
I
T
G
A
L
S
I
L
L
W
M
S
Y
-
V
I
S
I
-
A
L
F
A
K
G
F
A
G
Y
F
L
P
L
I
-
A
P
I
N
-
T
F
N
I
A
I
T
--------------
E
I
G
I
V
A
F
F
T
A
--
L
N
F
F
G
S
K
A
V
G
R
A
E
F
F
I
V
L
V
K
L
L
I
L
G
L
F
I
F
A
G
L
I
T
--------------------
I
H
--
P
S
Y
V
I
P
D
L
A
-----
P
S
A
V
S
G
---
M
I
F
A
S
-
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
--
P
R
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
-
A
I
S
A
I
---
G
N
L
P
I
D
---------------
E
-
L
I
--
K
A
S
---
E
N
A
L
-------
A
V
A
A
K
P
FLG
N
L
G
F
L
L
I
-----
S
I
G
A
L
F
---
S
I
S
---
S
A
M
N
A
T
I
Y
-
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
E
F
F
E
R
K
V
W
F
K
S
T
E
G
L
Y
I
T
S
A
L
G
V
--
L
F
A
L
L
F
N
-------
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
I
L
--
S
H
Y
I
L
I
D
E
V
G
G
R
K
E
I
V
I
F
S
F
I
V
V
L
--------
G
V
F
L
L
L
L
Y
Y
Q
W
I
T
N
R
F
V
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
Y
V
K
S
L
E
S
-------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
79.04
22%
-116
- C2 -
3GI8
-
Y609_METJA
C:
[6-314]
------------------------------
K
K
L
S
L
W
E
A
V
S
M
A
V
G
V
M
I
G
A
S
I
F
S
I
F
G
V
G
A
K
I
-
A
G
R
N
L
P
E
T
F
I
L
S
G
I
Y
A
L
L
V
A
Y
S
Y
T
K
L
G
A
K
I
V
S
N
A
G
P
I
A
F
I
H
K
A
I
G
D
----
N
I
I
T
G
A
L
S
I
L
LWM
S
Y
-
V
I
S
I
-
A
L
F
A
K
G
F
A
G
Y
F
L
P
L
I
N
A
P
I
N
-
T
F
N
I
A
I
T
--------------
E
I
G
I
V
A
F
F
T
A
--
L
N
F
F
G
S
K
A
V
G
R
A
E
F
F
I
V
L
V
A
L
L
I
L
G
L
F
I
F
A
G
L
I
T
--------------------
I
H
--
P
S
Y
V
I
P
D
L
A
-----
P
S
A
V
S
G
---
M
I
F
A
S
-
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
--
P
R
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
-
A
I
S
A
I
---
G
N
L
P
I
D
---------------
E
-
L
I
--
K
A
S
---
E
N
A
L
-------
A
V
A
A
K
P
FLGNL
G
F
L
L
I
-----
S
I
G
A
L
F
---
S
I
S
---
S
A
M
N
A
T
I
Y
-
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
E
F
F
E
R
K
V
W
F
K
S
T
E
G
L
Y
I
T
S
A
L
G
V
--
L
F
A
L
L
F
N
-------
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
I
L
--
S
H
Y
I
L
I
D
E
V
G
G
R
K
E
I
V
I
F
S
F
I
V
V
L
--------
G
V
F
L
L
L
L
Y
Y
Q
W
I
T
N
R
F
V
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
Y
V
K
S
----------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
78.39
22%
-118
- C2 -
3GIA
5
Y609_METJA
A:
[6-314]
------------------------------
K
K
L
S
L
W
E
A
V
S
M
A
V
G
V
M
I
G
A
S
I
F
S
I
F
G
V
G
A
K
I
-
A
G
R
N
L
P
E
T
F
I
L
S
G
I
Y
A
L
L
V
A
Y
S
Y
T
K
L
G
A
K
I
V
S
N
A
G
P
I
A
F
I
H
K
A
I
G
D
----
N
I
I
T
G
A
L
S
I
L
L
W
M
S
Y
-
V
I
S
I
-
A
L
F
A
K
G
F
A
G
Y
F
L
P
L
I
N
A
P
I
N
-
T
F
N
I
A
I
T
--------------
E
I
G
I
V
A
F
F
T
A
--
L
N
F
F
G
S
K
A
V
G
R
A
E
F
F
I
V
L
V
K
L
L
I
L
G
L
F
I
F
A
G
L
I
T
--------------------
I
H
--
P
S
Y
V
I
P
D
L
A
-----
P
S
A
V
S
G
---
M
I
F
A
S
-
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
E
N
P
K
K
N
V
--
P
R
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
-
A
I
S
A
I
---
G
N
L
P
I
D
---------------
E
-
L
I
--
K
A
S
---
E
N
A
L
-------
A
V
A
A
K
P
FLG
N
L
G
F
L
L
I
-----
S
I
G
A
L
F
---
S
I
S
---
S
A
M
N
A
T
I
Y
-
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
E
F
F
E
R
K
V
W
F
K
S
T
E
G
L
Y
I
T
S
A
L
G
V
--
L
F
A
L
L
F
N
-------
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
Y
L
F
V
I
L
--
S
H
Y
I
L
I
D
E
V
G
G
R
K
E
I
V
I
F
S
F
I
V
V
L
--------
G
V
F
L
L
L
L
Y
Y
Q
W
I
T
N
R
F
V
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
K
R
T
F
S
N
N
M
Y
V
K
S
----------------------------------------------------------------------------------------------------------------------------------
32
Fugue
73.21
14%
-127
* C3 *
1D2M
3
UVRB_THET8
A:
[2-583]
T
F
R
Y
R
G
P
S
P
K
G
D
Q
P
K
A
I
A
G
L
V
E
A
L
R
D
G
E
R
F
V
T
L
L
G
A
T
----------
G
T
G
K
T
V
T
M
A
K
V
I
E
A
L
G
R
P
A
L
V
L
A
P
-----
N
K
I
L
A
A
Q
L
A
A
E
F
R
E
L
F
P
E
N
A
V
E
Y
F
I
S
Y
Y
D
Y
Y
Q
-
P
E
-
A
Y
V
P
G
K
D
L
Y
I
---
E
K
-
D
A
S
I
N
P
E
I
E
R
L
R
H
S
T
T
R
S
L
L
---------------------
T
R
R
D
V
I
V
V
A
S
V
S
A
I
Y
G
--
L
----
G
D
P
R
E
Y
R
A
R
N
L
V
V
R
E
V
L
L
E
R
L
L
E
L
-
G
Y
Q
R
N
D
-
I
---
D
L
S
P
G
R
F
R
A
K
----
G
--
E
V
L
E
I
F
P
A
Y
E
T
E
P
I
R
V
E
L
G
F
---
V
L
F
--------------------------------
P
A
T
H
Y
L
S
P
E
G
L
E
E
I
L
K
E
I
-
E
K
E
L
W
---
E
R
V
R
Y
F
---------------
E
-
E
R
--
G
E
V
L
Y
A
Q
R
L
K
-------
E
R
T
L
Y
D
-----
L
E
M
L
R
-----
V
M
G
T
C
P
GVE
N
Y
A
---
R
Y
F
T
G
K
A
P
G
E
P
P
Y
T
L
L
D
Y
F
P
E
D
F
L
V
F
L
D
E
S
H
V
T
V
P
Q
L
Q
G
M
Y
R
G
D
Y
A
R
K
--
K
T
L
V
D
Y
G
-------
F
R
L
P
S
A
L
D
N
R
P
L
R
F
E
E
F
L
E
R
V
--
S
Q
V
V
F
V
S
A
T
P
G
P
F
E
L
A
H
S
G
R
V
V
E
Q
IIRPTGLL
D
P
L
V
R
V
K
P
T
E
N
Q
I
L
D
L
M
E
G
I
R
E
R
A
A
R
G
E
R
T
L
V
T
V
L
T
V
R
M
A
E
E
L
T
S
F
L
V
E
H
-
G
I
R
A
R
Y
L
H
H
E
L
D
A
F
K
R
Q
A
L
I
R
D
L
R
L
G
H
Y
D
C
L
V
G
I
N
L
L
R
E
G
L
D
--
I
P
---
E
V
S
L
V
A
I
L
D
A
D
K
E
G
F
L
RS
E
R
S
L
I
Q
T
I
G
R
A
A
R
N
A
R
G
E
V
W
L
Y
A
D
R
V
S
E
A
M
Q
R
A
I
E
E
T
N
R
R
R
A
L
Q
E
A
Y
N
L
E
H
G
I
T
P
E
T
V
-----
29
Fugue
70.24
10%
-128
- C2 -
4DJK
-
GADC_ECOLI
A:
[12-501]
--------------------
Q
L
T
L
L
G
F
F
A
I
T
A
S
M
V
M
A
V
Y
E
Y
P
T
F
A
T
S
G
F
S
L
V
F
F
L
L
L
G
G
I
L
-------
W
F
I
P
V
G
L
C
A
A
E
M
A
T
----------
V
D
G
W
G
V
F
A
W
V
S
N
T
L
G
P
-
R
W
-
G
F
A
A
I
S
F
G
Y
L
---
Q
I
-
A
I
G
F
-
I
P
M
L
Y
F
V
L
G
A
L
S
Y
I
L
K
-------
W
P
A
L
N
E
D
P
I
T
K
T
I
A
A
L
I
I
L
W
A
L
A
L
T
Q
F
G
G
TK
Y
T
A
R
I
A
K
V
G
F
F
A
G
I
L
L
P
A
F
I
L
I
A
L
A
A
I
Y
L
H
T
F
--------------------------------------
F
P
D
F
S
K
V
G
---
T
L
V
V
F
-
V
A
F
I
L
S
Y
M
G
V
E
A
S
A
T
H
V
N
E
M
S
N
P
G
R
D
Y
--
P
L
A
M
L
L
L
M
V
A
A
I
C
L
S
S
V
G
-
G
L
S
I
A
---
M
V
I
P
G
N
---------------
E
-
I
-------------------------------------------------------------------------------------------------
N
L
S
A
G
V
M
--
Q
T
F
T
V
L
M
-------
S
H
V
A
P
E
I
E
W
T
V
R
V
I
S
A
L
L
L
L
G
--
V
L
A
E
I
A
S
W
------------
I
V
G
P
--------
S
R
G
M
Y
V
T
A
Q
K
N
L
L
P
A
A
F
A
K
M
N
K
N
G
V
P
---
V
T
L
V
I
S
Q
L
V
I
T
S
I
A
L
I
I
L
T
N
T
G
G
G
N
N
M
S
F
L
I
A
L
A
L
T
V
V
I
Y
L
C
A
Y
F
M
L
F
I
G
Y
I
V
L
V
L
K
H
P
D
L
K
R
T
F
N
I
P
GGK
G
V
K
L
V
V
A
I
V
G
L
L
T
S
I
M
----
A
F
I
V
S
F
L
P
P
D
N
I
Q
G
D
S
T
D
M
Y
V
E
L
L
V
V
S
F
L
V
V
L
A
L
P
F
I
L
Y
A
V
H
F
F
L
H
P
R
-
A
R
S
P
--------
28
Fugue
49.89
17%
-78
- C2 -
4MB0
-
?
A:
[9-261]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
R
Y
W
S
L
Y
Y
R
E
K
I
I
E
G
M
E
K
G
--
M
T
A
K
A
G
L
I
A
H
G
R
G
E
A
F
D
Y
L
I
------
G
E
-
R
T
I
E
P
A
E
R
A
M
R
A
A
V
A
K
L
L
L
A
E
N
P
V
V
S
V
--
N
G
N
V
A
A
L
V
P
K
E
T
I
E
L
A
R
A
L
N
A
K
L
E
---
I
N
L
F
Y
R
---------------
T
-
E
D
--
R
V
K
A
I
A
E
E
L
R
K
Y
DPE
I
E
L
L
G
I
N
P
-----
T
K
R
I
--------
P
G
L
E
---
H
E
R
---
G
K
V
D
E
N
G
I
-
W
K
A
D
V
V
V
V
P
L
E
D
G
D
R
T
E
A
L
V
R
M
G
-----
K
F
V
I
T
I
D
L
N
P
L
S
R
S
A
R
M
A
D
I
-------
T
I
V
D
N
I
V
R
A
Y
P
R
M
T
E
L
A
R
E
M
K
DY
S
R
G
E
L
I
R
I
I
E
E
Y
D
N
G
K
T
L
N
D
V
L
L
H
--------
I
R
D
R
L
T
K
L
A
E
G
G
I
W
R
K
K
Q
L
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
45.29
24%
-56
- C2 -
3L1L
1
ADIC_ECO57
A:
[202-333]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
W
S
F
I
G
V
E
S
A
S
V
A
A
G
V
V
K
N
P
K
R
N
V
--
P
I
A
T
I
G
G
V
L
I
A
A
V
C
Y
V
L
S
-
T
T
A
I
M
---
G
M
I
P
N
A
---------------
A
-
L
R
V-
S
A
S
P
F
G
D
A
--------------------
A
R
M
A
L
GDT
A
G
A
I
V
S
F
C
---
A
A
A
G
C
L
G
S
L
G
G
W
T
L
-
L
A
G
Q
T
A
K
A
A
A
D
D
G
L
F
P
P
I
F
A
R
V
N
K
-
A
G
T
P
V
A
G
L
I
I
V
G
I
L
--
M
T
I
F
Q
L
S
-------
S
I
S
P
N
A
T
K
E
F
G
L
V
S
S
V
S
V
I
F
T
--
L
V
P
Y
L
Y
T
C
A
A
L
L
L
L
G
H
G
H
F
G
K
A
R
P
--------
A
Y
L
A
V
T
T
I
A
F
L
Y
C
I
W
A
V
V
G
S
G
A
K
E
V
M
W
S
F
V
T
L
M
V
I
T
A
M
Y
A
L
N
Y
N
R
L
H
K
N
P
Y
P
L
D
A
------------------------------------------------------------------------------------------------------------------------------
31
Fugue
43.38
21%
17
- C2 -
4O66
-
SMAL1_MOUSE
A:
[10-76]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
L
R
G
A
--
C
I
K
T
G
---
D
R
F
R
V
K
I
G
Y
N
Q
E
L
I
A
V
F
K
S
L
P
S
R
H
Y
D
S
F
-
T
K
T
W
D
F
S
M
S
D
Y
R
A
L
M
K
A
V
E
R
L
S
T
V
S
L
K
P
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
42.83
24%
-63
- C2 -
3OB6
1
ADIC_ECOLI
A:
[202-333]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
W
S
F
I
G
V
E
S
A
S
V
A
A
G
V
V
K
N
P
K
R
N
V
--
P
I
A
T
I
G
G
V
L
I
A
A
V
C
Y
V
L
S
-
T
T
A
I
M
---
G
M
I
P
N
A
---------------
A
-
L
R
V
-
S
A
S
P
F
G
D
A
--------------------
A
R
M
A
L
GDT
A
G
A
I
V
S
F
C
---
A
A
A
G
C
L
G
S
L
G
G
W
T
L
-
L
A
G
Q
T
A
K
A
A
A
D
D
G
L
F
P
P
I
F
A
R
V
N
K
-
A
G
T
P
V
A
G
L
I
I
V
G
I
L
--
M
T
I
F
Q
L
S
-------
S
I
S
P
G
L
V
S
S
V
S
V
I
F
T
L
V
P
Y
L
Y
--
T
C
A
A
L
L
L
L
G
H
G
H
F
G
K
A
R
P
A
Y
L
A
V
T
--------
T
I
A
F
L
Y
C
I
W
A
V
V
G
S
G
A
K
E
V
M
W
S
F
V
T
L
M
V
I
T
A
M
Y
A
L
N
Y
N
R
L
H
K
N
P
Y
P
L
D
A
------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
41.54
23%
-68
- C2 -
3NCY
-
ADIC_SALTY
A:
[202-339]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
W
S
F
I
G
V
E
S
A
S
V
A
A
G
V
V
K
N
P
K
R
N
V
--
P
I
A
T
I
G
G
V
L
I
A
A
V
C
Y
V
L
S
-
T
T
A
I
M
---
G
M
I
P
N
A
---------------
A
-
L
R
V-
S
A
S
P
F
G
D
A
--------------------
A
R
M
A
L
GDTAG
A
I
V
S
F
C
---
A
A
A
G
C
L
G
S
L
G
G
W
T
L
-
L
A
G
Q
T
A
K
A
A
A
D
D
G
L
F
P
P
I
F
A
R
------
T
P
V
A
G
L
L
I
V
G
V
L
--
M
T
I
F
Q
F
S
-------
S
M
S
P
N
A
A
K
E
F
G
L
V
S
S
V
S
V
I
F
T
--
L
V
P
Y
L
Y
T
C
A
A
L
L
L
L
G
H
G
H
F
G
K
A
R
P
--------
L
Y
L
L
I
T
F
V
A
F
V
Y
C
I
W
A
V
I
G
S
G
A
K
E
V
M
W
S
F
V
T
L
M
V
I
T
A
L
Y
A
L
N
Y
N
R
I
H
K
N
P
Y
P
L
D
A
P
-----------------------------------------------------------------------------------------------------------------------------
33
Fugue
41.05
12%
324
* C2 *
5CMZ
-
?
B:
[2-33]
-
M
T
W
E
E
W
D
K
K
I
E
E
L
I
K
K
S
E
E
L
I
K
K
I
E
E
Q
I
K
K
Q
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
39.67
24%
-48
- C2 -
3LRC
-
ADIC_ECO57
A:
[202-333]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
W
S
F
I
G
V
E
S
A
S
V
A
A
G
V
V
K
N
P
K
R
N
V
--
P
I
A
T
I
G
G
V
L
I
A
A
V
C
Y
V
L
S
-
T
T
A
I
M
---
G
M
I
P
N
-------------------------------------------------------TA
G
--
A
I
V
S
F
C
---
A
A
A
G
C
L
G
S
L
G
G
W
T
L
-
L
A
G
Q
T
A
K
A
A
A
D
D
G
L
F
P
P
I
F
A
R
V
N
K
-
A
G
T
P
V
A
G
L
I
I
V
G
I
L
--
M
T
I
F
Q
L
S
-------
S
I
S
P
N
A
T
K
E
F
G
L
V
S
S
V
S
V
I
F
T
--
L
V
P
Y
L
Y
T
C
A
A
L
L
L
L
G
H
G
H
F
G
K
A
R
P
--------
A
Y
L
A
V
T
T
I
A
F
L
Y
C
I
W
A
V
V
G
S
G
A
K
E
V
M
W
S
F
V
T
L
M
V
I
T
A
M
Y
A
L
N
Y
N
R
L
H
K
N
P
-----------------------------------------------------------------------------------------------------------------------------------
20
HHSearch
39.20
12%
-73
- C2 -
3DH4
1
?
A:
[53-355]
-----------------------------
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
S
Y
E
W
M
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
F
I
E
K
-
G
I
Y
T
I
P
E
F
V
E
K
R
F
N
K
-
K
L
-
K
T
I
L
A
V
F
W
I
S
---
L
Y
I
F
V
N
L
-
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
P
-------------------
L
M
Y
S
I
L
G
L
A
L
F
A
L
V
Y
--
S
I
------
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
F
M
T
T
Y
M
A
V
S
F
I
G
G
T
D
G
W
F
A
G
V
S
K
M
V
D
A
A
P
G
H
-----
F
E
M
I
L
D
Q
S
N
P
-
Q
Y
M
N
L
P
G
IAV
L
I
G
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
A
K
S
V
-
S
E
A
--
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
-
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
GDIAATNLP
S
A
A
N
--
A
D
K
A
Y
P
W
L
T
--------
Q
F
L
P
V
G
-----
V
K
G
V
V
-----
F
A
A
L
A
A
---
A
I
V
---
S
S
L
A
S
M
L
N
-
S
T
A
T
I
F
T
---
M
D
I
Y
K
E
Y
I
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
--
I
I
A
C
L
I
A
-------
P
M
L
G
G
I
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
--
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
S
K
G
A
I
I
G
--------
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
---------------------------------------------------------------------------------------------
6
PsiBlast_PDB
38.98
24%
-47
- C2 -
3LRB
-
ADIC_ECO57
A:
[202-333]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
W
S
F
I
G
V
E
S
A
S
V
A
A
G
V
V
K
N
P
K
R
N
V
--
P
I
A
T
I
G
G
V
L
I
A
A
V
C
Y
V
L
S
-
T
T
A
I
M
---
G
M
I
P
N
-------------------------------------------------------TA
G
--
A
I
V
S
F
C
---
A
A
A
G
C
L
G
S
L
G
G
W
T
L
-
L
A
G
Q
T
A
K
A
A
A
D
D
G
L
F
P
P
I
F
A
R
V
N
K
-
A
G
T
P
V
A
G
L
I
I
V
G
I
L
--
M
T
I
F
Q
L
S
-------
S
I
S
P
N
A
T
K
E
F
G
L
V
S
S
V
S
V
I
F
T
--
L
V
P
Y
L
Y
T
C
A
A
L
L
L
L
G
H
G
H
F
G
K
A
R
P
--------
A
Y
L
A
V
T
T
I
A
F
L
Y
C
I
W
A
V
V
G
S
G
A
K
E
V
M
W
S
F
V
T
L
M
V
I
T
A
M
Y
A
L
N
Y
N
R
L
H
K
N
P
-----------------------------------------------------------------------------------------------------------------------------------
34
Fugue
37.86
18%
26
- C3 -
2KSW
-
?
A:
[1-66]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
P
V
G
S
D
C
E
P
K
L
C
T
M
D
L
V
P
H
C
F
L
N
P
E
K
G
I
V
V
V
H
G
G
C
A
L
S
K
Y
K
C
-
Q
N
P
N
H
---
E
K
L
G
Y
T
---------------
H
-
E
C
--
E
E
A
I
K
N
A
P
R
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
Fugue
36.83
12%
322
- C2 -
2IGR
1
?
A:
[1-33]
--
K
W
K
V
F
K
K
I
E
K
K
W
K
V
F
K
K
I
E
K
A
G
P
K
W
K
V
F
K
K
I
E
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
Fugue
33.62
13%
437
- C2 -
2K84
-
A:
[22-51]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
Y
P
D
L
S
E
I
K
K
E
Y
N
V
K
--------
E
K
D
Q
V
E
D
L
N
L
D
S
L
W
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------