@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 : gbs0013: (2015-11-27 )
MYNTILKDTLSKGLFTAHQKVLIAVSGGIDSINLLQFLYQYQKELSISIGIAHINHGQRKESEKEEEYIRQWGQIHDVPVFISYFQGIFSEDRARNHRYNFFSKVMREEGYTALVTAHHADDQAETVFMRILRGSRLRYLSGIKQVSAFANGQLIRPFLPYKKELLPNIFHFEDASNASSDYLRNRIRNVYFPALERENNQLKDSLITLSEETECLFTALTDLTRSIEVTNCYDFLRQTHSVQEFLLQDYISKFPDLQVSKEQFRVILKLIRTKANIDYTIKSGYFLHKDYESFHITKIHPKTDSFKVEKRLELHNIQIFSQYLFSYGKFISQADITIPIYDTSPIILRRRKEGDRIFLGNHTKKIRRLFIDEKITLKEREEAVIGEQNKELIFVIVAGRTYLRKPSEHDIMKGKLYIENLEKR
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)
----------------------------M
Y
N
T
I
L
K
D
T
L
S
K
-
G
L
F
T
AH
Q
K
V
L
I
A
VSGGI
D
S
I
N
L
L
Q
F
L
Y
Q
Y
Q
K
E
-
L
S
-
I
-
S
-
I
G
I
A
HINHGQR-K-E
S
E
K
E
----
E
E
Y
I
R
Q
W----------GQIH-----D
V
---
P
-
V
F
I
S
Y
--
F
--------
Q
--------
G
------------
I
---------------------
F
-------------
S
-------------
E
D
R
------ARN
H
R
-
Y
N
F
--------
F
S
K
V
M
R
EE----G-
Y
----
T
A
L
V
T
AHHAD
D
Q
A
E
T
V
F
M
R
I
LRGS
R
--
L
R
---
Y
L
S
G
I
K
Q
V
--
S
A
----FANG
Q
L
IRPFL
P
-
Y
-------
K
K
E
----------LL
P
-----
N
------I-FH------FEDASNA
S
S
D
Y
---
L
R
N
R
I
R
N
VYFPALERENN
Q
L
K
D
S
L
I
----TLSEE
T
E
C
L
F
T
A
L
T
D
L
T
RSI-----------
E
--------
V
T
N
C
Y
D
F
L
R
Q
T
H
S
V
Q
E
F
L
L
Q
D
Y
I
S
KFPD---LQV
S
K
E
Q
F
R
V
I
L
K
L
I
R
TK---A-N
I
D
Y
T
IKS
G
Y
F
L
H
K
DYES
F
H
I
T
K
IHPKTDSF
K
V
E
K
R
L
EL
H
N
-
I
Q
----
I
F
S
Q
Y
-
L
F
S
Y
G
--
K
F
--I-SQA
D
I
T
I
P
I---YDTS
P
I
I
L
R
RRKEG
D
R
I
F
LG--N
H
T
K
K
I
R
R
L
F
IDEKI
T
L
K
E
R
E
E
A
-VIGEQNK
E
L
I
F
V
I
VAG
R
T
YLRKPSEHDIMKG
K
L
Y
I
E
NLEKR--
27
HHSearch
95.78
24%
-83
- C3 -
3A2K
-
TILS_GEOKA
A:
[6-458]
---------------------------------
R
A
F
I
H
R
H
-
Q
L
L
S
E
G
A
A
V
I
V
G
V
S
G
G
P
D
S
L
A
L
L
H
V
F
L
S
L
R
D
E
-
W
K
-
L
-
Q
-
V
I
A
A
H
V
D
H
M
F
R
-
G
R
E
S
E
E
E
----
M
E
F
V
K
R
F
----------
C
V
E
R
-----
R
I
---
L
-
C
E
T
A
Q
--
I
--------
D
V
P
A
F
Q
R
S
A
G
------------
L
---------------------
G
-------------
A
-------------
Q
E
A
------
A
R
I
C
R
-
Y
R
F
--------
F
A
E
L
M
E
K
H
----
Q
-
A
----
G
Y
V
A
V
G
H
H
G
D
D
Q
V
E
T
I
L
M
R
L
V
R
G
S
T
--
S
K
---
G
Y
A
G
I
P
V
K
--
R
P
----
F
H
G
G
Y
L
I
R
P
F
L
A
-
V
-------
S
R
A
----------
E
I
E
-----
A
Y
C
R
Q
M
G
L
-
S
P
------
R
C
D
P
S
N
E
K
D
D
Y
---
T
R
N
R
F
R
H
H
I
V
P
L
L
R
Q
E
N
P
R
L
H
E
R
F
Q
----
Q
Y
S
E
M
M
A
E
D
E
Q
F
L
E
E
L
A
A
D
A
L
N
K
V
MEKQHR
D
A
--------
A
L
S
I
G
P
F
L
E
L
P
R
P
L
Q
R
R
V
L
Q
L
L
L
L
R
L
Y
G
GVP
P
T
L
T
S
V
H
I
G
H
I
L
M
L
C
E
R
G
---
R
P
S
G
M
I
D
L
P
K
G
L
K
V
I
R
S
Y
D
R
C
L
F
T
F
D
A
E
S
G
E
K
G
-
Y
W
F
E
L
P
V
P
A
L
L
P
----
L
P
N
G
Y
-
A
I
I
S
E
F
G
E
H
YP
R
K
Q
A
G
N
D
W
F
V
V
D
PA
S
V
S
L
P
L
R
V
R
T
R
R
R
G
D
R
M
V
L
K
GT
G
G
T
K
K
L
K
E
I
F
I
E
A
K
I
P
R
M
E
R
D
R
W
P
I
V
E
D
A
D
G
R
I
L
W
V
P
G
L
K
K
S
A
F
E
A
Q
N
R
G
Q
A
R
Y
I
L
L
Q
Y
Q
A
M
-----
29
HHSearch
82.59
23%
-81
- C3 -
1WY5
-
TILS_AQUAE
A:
[12-311]
---------------------------------
L
A
L
Q
N
D
E
-
K
I
F
S
G
E
R
R
V
L
I
A
F
S
G
G
V
D
S
V
V
L
T
D
V
L
L
K
L
K
N
Y
-
F
S
L
K
-
E
-
V
A
L
A
H
F
N
H
M
L
R
-
E
-
S
A
E
R
D
----
E
E
F
C
K
E
F
----------
A
K
E
R
-----
N
M
---
K
-
I
F
V
G
K
--
E
--------
D
V
R
A
F
A
K
E
N
R
------------
M
---------------------
S
-------------
L
-------------
E
E
A
------
G
R
F
L
R
-
Y
K
F
--------
L
K
E
I
L
E
S
E
----
G
-
F
----
D
C
I
A
T
A
H
H
L
N
D
L
L
E
T
S
L
L
F
F
T
R
G
T
G
--
L
D
---
G
L
I
G
F
L
P
K
----------
E
E
V
I
R
R
P
L
Y
Y
-
V
-------
K
R
S
----------
E
I
E
-----
E
Y
A
K
F
K
G
L
-
R
W
------
V
E
D
E
T
N
Y
E
V
S
I
---
P
R
N
R
I
R
H
R
V
I
P
E
L
K
R
I
N
E
N
L
E
D
T
F
L
----
K
M
V
K
V
L
R
A
E
R
E
F
L
E
E
E
A
Q
K
L
-----------
Y
K
E
V
KKGN-
C
L
D
V
K
K
L
K
E
K
P
L
A
L
Q
R
R
V
I
R
K
F
I
G
E
K
--------
D
Y
E
K
V
E
L
V
R
S
L
L
E
K
------
G
G
E
V
N
L
G
K
G
K
V
L
K
R
K
E
R
W
L
-----------------------------------------------------------------------------------------------------------------------------------------------------
53
Fugue
80.64
24%
-78
- C3 -
1WY5
-
TILS_AQUAE
A:
[1-311]
----------------------MN
P
E
S
R
V
I
R
K
V
L
A
L
Q
N
D
E
-
K
I
F
S
G
E
R
R
V
L
I
A
F
S
G
G
V
D
S
V
V
L
T
D
V
L
L
K
L
K
N
Y
-
F
S
-
L
K
E
-
V
A
L
A
H
F
N
H
M
L
R
-
E
-
S
A
E
R
D
----
E
E
F
C
K
E
F
----------
A
K
E
R
-----
N
M
---
K
-
I
F
V
G
K
--
E
D
V
R
A
F
A
K
E
N
--------
R
------------
M
---------------------
S
-------------
L
-------------
E
E
A
------
G
R
F
L
R
-
Y
K
F
--------
L
K
E
I
L
E
S
E
----
G
-
F
----
D
C
I
A
T
A
H
H
L
N
D
L
L
E
T
S
L
L
F
F
T
R
G
T
G
--
L
D
---
G
L
I
G
F
L
P
K
--
E
--------
E
V
I
R
R
P
L
Y
Y
-
V
-------
K
R
S
----------
E
I
E
-----
E
------
Y
-
A
K
F
K
G
L
R
W
V
E
D
E
T
N
Y
E
V
S
I
---
P
R
N
R
I
R
H
R
V
I
P
E
L
K
R
I
N
E
N
L
E
D
T
F
L
----
K
M
V
K
V
L
R
A
E
R
E
F
L
E
E
E
A
Q
K
L
-----------
Y
--------
K
E
V
---------
K
K
G
N
C
L
D
V
K
K
L
K
E
K
P
-------
L
A
L
Q
R
R
V
I
R
K
F
I
G
E
K
------------------------------------------------------------------------------------------------------------------------------------
D
Y
E
K
V
E
L
V
R
S
L
L
E
K
G
G
E
V
N
L
G
K
G
K
V
L
K
R
K
E
R
W
L
--------
55
Fugue
76.20
21%
-56
- C3 -
3VRH
3
?
A:
[1-309]
MKCKFCSREAYIKIHYP
K
M
Y
L
C
E
E
H
F
K
E
Y
F
E
R
K
V
S
R
T
I
E
R
Y
K
L
L
T
K
D
E
R
I
L
V
A
V
S
G
G
K
D
S
A
V
T
A
Y
V
L
K
K
-----
L
G
-
Y
-
N
-
I
E
C
L
H
I
N
L
G
I
S
-
G
-
Y
S
E
K
S
----
E
E
Y
A
K
K
Q
----------
C
K
L
I
-----
G
A
---
P
-
L
H
I
V
R
--
I
--------
K
--------
E
------------
I
---------------------
L
GYGIGEVKTRRP-
P
-------------
C
S
Y
------
C
G
L
T
K
-
R
Y
I
--------
M
N
K
F
A
Y
D
N
----
G
-
F
----
D
A
I
A
T
G
H
N
L
D
D
E
A
S
F
L
L
N
N
I
L
H
W
N
T
--
E
Y
---
L
A
K
G
G
P
I
L
--
P
Q
------
Q
G
K
F
I
K
K
V
K
P
-
L
--------------------------------------------------------------------
Y
E
V
T
E
R
E
V
V
A
Y
A
L
A
V
G
----
L
E
Y
I
V
E
E
C
P
Y
----------------------------------------------------------------
T
T
L
D
M
K
G
V
L
N
E
L
E
E
K
---
R
-
P
----------------
G
T
K
F
N
F
V
R
G
Y
L
K
K
K
K
L
F
E
P
K
E
C
K
I
-
C
R
----
M
P
S
S
----------------------------------------------
G
--
D
I
C
A
F
C
K
F
W
G
L
K
K
E
I
N
F
K
V
S
S
T
-----------------------
D
E
E
P
F
G
----------------
28
HHSearch
75.70
20%
-36
* C3 *
1NI5
-
TILS_ECOLI
A:
[3-418]
------------------------------------
L
T
L
N
-
R
Q
L
L
T
S
R
Q
I
L
V
A
F
S
G
G
L
D
S
T
V
L
L
H
Q
L
V
Q
W
R
T
E
N
P
G
-
V
-
A
-
L
R
A
I
H
V
H
H
G
L
S
-
A
-
N
A
D
A
W
----
V
T
H
C
E
N
V
----------
C
Q
Q
W
-----
Q
V
---
P
-
L
V
V
E
R
--
V
--------
Q
L
A
Q
E----
G
------------
L
---------------------
G
-------------
I
-------------
E
A
Q
------
A
R
Q
A
R
-
Y
Q
A
--------
F
A
R
T
L
L
------
P
-
G
----
E
V
L
V
T
A
Q
H
L
D
D
Q
C
E
T
F
L
L
A
L
K
R
G
S
G
--
P
A
---
G
L
S
A
M
A
E
V
--
S
E
----
F
A
G
T
R
L
I
R
P
L
L
A
-
R
-------
T
R
G
----------
E
L
V
-----
Q
W
A
R
Q
Y
D
L
-
R
W
------
I
E
D
E
S
N
Q
D
D
S
Y
---
D
R
N
F
L
R
L
R
V
V
P
L
L
Q
Q
R
W
P
H
F
A
E
A
T
A
----
R
S
A
A
L
C
A
E
Q
E
S
L
L
D
E
L
L
A
D
D
-----------
L
A
H
C
QSPQG
T
L
Q
I
V
P
M
L
A
M
S
D
A
R
R
A
A
I
I
R
R
W
L
A
G
Q
N
A
---
P
M
P
S
R
D
A
L
V
R
I
W
Q
E
V
A
L
A
RED
A
-
S
P
C
L
R
L
-
G
A
F
E
I
R
R
Y
Q
S
Q
L
W
W
I
K
S
V
T
G
Q
S
E
N
----
I
V
P
W
Q
T
-
W
L
Q
P
L
E
L
P
A
G
L
G
S
V
Q
L
N
---------
A
G
G
D
I
R
P
P
---
R
A
D
E
A
V
S
V
R
F
K
A
P
G
L
-
L
H
I
V
GR
N
G
G
R
K
L
K
K
I
W
Q
E
L
G
V
P
P
W
L
R
D
T
T
P
L
L
F
Y
G
-
E
T
L
I
A
A
A
G
V
F
V
T
Q
E
G
V
A
E
G
E
N
G
V
S
F
V
W
Q
K
T
L
S
-----
2
PsiBlast_PDB
75.36
28%
-92
- C3 -
1WY5
-
TILS_AQUAE
A:
[20-255]
------------------------------------------
I
F
S
G
E
R
R
V
L
I
A
F
S
G
G
V
D
S
V
V
L
T
D
V
L
L
K
L
K
N
Y
-
F
S
-
L
-
K
E
V
A
L
A
H
F
N
H
M
L
R
-
E
-
S
A
E
R
D
----
E
E
F
C
K
E
F
----------
A
K
E
R
-----
N
M
---
K
-
I
F
V
G
K
E
D
V
--------
R
--------
A
------------
F
---------------------
A
-------------
K
-------------
E
N
R
MS
L
E
E
A
G
R
F
L
R
-
Y
K
F
--------
L
K
E
I
L
E
S
E
----
G
-
F
----
D
C
I
A
T
A
H
H
L
N
D
L
L
E
T
S
L
L
F
F
T
R
G
T
G
--
L
D
---
G
L
I
G
F
-----------
L
P
K
E
E
V
I
R
R
P
L
Y
-
Y
-------
V
K
R
S
E
I
E
E
Y
A
---
K
F
K
-----
G
------
L
-
R
W
------
V
E
D
E
T
N
Y
E
V
S
I
---
P
R
N
R
I
R
H
R
V
I
P
E
L
K
R
I
N
E
N
L
E
D
T
F
L
K
M
V
K
V
L
R
A
E
R
E
F
L
E
E
E
A
Q
K
L
Y
K
E
V
-----------
K
--------
K
G
N
C
L
D
V
K
K
L
K
E
K
P
L
A
L
Q
R
R
V
I
R
K
F
I
G
E
---
K
D
Y
E
K
V
E
L
V
R
S
L
L
E
K
G
G
E
---
V
-
N
L
G
K
G
K
V
L
K
R
K
E
R
W
L
---------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
74.45
28%
-98
- C3 -
2E89
1
TILS_AQUAE
A:
[20-255]
------------------------------------------
I
F
S
G
E
R
R
V
L
I
A
F
S
G
G
V
D
S
V
V
L
T
D
V
L
L
K
L
K
N
Y
-
F
S
-
L
-
K
E
V
A
L
A
H
F
N
H
M
L
R
-
E
-
S
A
E
R
D
----
E
E
F
C
K
E
F
----------
A
K
E
R
-----
N
M
---
K
-
I
F
V
G
K
E
D
V
--------
R
--------
A
------------
F
---------------------
A
-------------
K
-------------
E
N
R
MS
L
E
E
A
G
R
F
L
R
-
Y
K
F
--------
L
K
E
I
L
E
S
E
----
G
-
F
----
D
C
I
A
T
A
H
H
L
N
D
L
L
E
T
S
L
L
F
F
T
R
G
T
G
--
L
D
---
G
L
I
G
F
-----------
L
P
K
E
E
V
I
R
R
P
L
Y
-
Y
-------
V
K
R
S
E
I
E
E
Y
A
---
K
F
K
-----
G
------
L
-
R
W
------
V
E
D
E
T
N
Y
E
V
S
I
---
P
R
N
R
I
R
H
R
V
I
P
E
L
K
R
I
N
E
N
L
E
D
T
F
L
K
M
V
K
V
L
R
A
E
R
E
F
L
E
E
E
A
Q
K
L
Y
K
E
V
-----------
K
--------
K
G
N
C
L
D
V
K
K
L
K
E
K
P
L
A
L
Q
R
R
V
I
R
K
F
I
G
E
---
K
D
Y
E
K
V
E
L
V
R
S
L
L
E
K
G
G
E
---
V
-
N
L
G
K
G
K
V
L
K
R
K
E
R
W
L
C
F
S
P
E
V
---------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
73.83
28%
-96
- C3 -
2E21
1
TILS_AQUAE
A:
[20-255]
------------------------------------------
I
F
S
G
E
R
R
V
L
I
A
F
S
G
G
V
D
S
V
V
L
T
D
V
L
L
K
L
K
N
Y
-
F
S
-
L
-
K
E
V
A
L
A
H
F
N
H
M
L
R
-
E
-
S
A
E
R
D
----
E
E
F
C
K
E
F
----------
A
K
E
R
-----
N
M
---
K
-
I
F
V
G
K
E
D
V
--------
R
--------
A
------------
F
---------------------
A
-------------
K
-------------
E
N
R
MS
L
E
E
A
G
R
F
L
R
-
Y
K
F
--------
L
K
E
I
L
E
S
E
----
G
-
F
----
D
C
I
A
T
A
H
H
L
N
D
L
L
E
T
S
L
L
F
F
T
R
G
T
G
--
L
D
---
G
L
I
G
F
-----------
L
P
K
E
E
V
I
R
R
P
L
Y
-
Y
-------
V
K
R
S
E
I
E
E
Y
A
---
K
F
K
-----
G
------
L
-
R
W
------
V
E
D
E
T
N
Y
E
V
S
I
---
P
R
N
R
I
R
H
R
V
I
P
E
L
K
R
I
N
E
N
L
E
D
T
F
L
K
M
V
K
V
L
R
A
E
R
E
F
L
E
E
E
A
Q
K
L
Y
K
E
V
-----------
K
--------
K
G
N
C
L
D
V
K
K
L
K
E
K
P
L
A
L
Q
R
R
V
I
R
K
F
I
G
E
---
K
D
Y
E
K
V
E
L
V
R
S
L
L
E
K
G
G
E
---
V
-
N
L
G
K
G
K
V
L
K
R
K
E
R
W
L
C
F
S
P
E
V
---------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
68.38
33%
-79
- C3 -
3A2K
-
TILS_GEOKA
A:
[14-226]
------------------------------------------
L
L
S
E
G
A
A
V
I
V
G
V
S
G
G
P
D
S
L
A
L
L
H
V
F
L
S
L
R
D
E
-
W
K
-
L
-
Q
-
V
I
A
A
H
V
D
H
M
F
R
G
R
-
E
S
E
E
E
----
M
E
F
V
K
R
F
C
V
E
R
RILCE
T
A
Q
I
------
D
V
---
P
-
A
F
-
Q
R
--
S
--------
A
--------
G
------------
L
---------------------
G
-------------
A
-------------
Q
E
A
------
A
R
I
C
R
-
Y
R
F
--------
F
A
E
L
M
E
K
H
----
Q
-
A
----
G
Y
V
A
V
G
H
H
G
D
D
Q
V
E
T
I
L
M
R
L
V
R
G
S
T
--
S
K
---
G
Y
A
G
I
P
V
K
--
R
P
----
F
H
G
G
Y
L
I
R
P
F
L
A
-
V
-------
S
R
A
E
I
E
A
Y
C
R
Q
M
G
L
S
P
-----
R
------
C
-----------
D
P
S
N
E
K
D
D
Y
---
T
R
N
R
F
R
H
H
I
V
P
L
L
R
Q
E
N
P
R
L
H
E
R
F
Q
----
Q
Y
S
E
M
M
A
E
D
E
Q
F
L
E
E
L
A
A
D
A
-----------
L
--------
N
K
V
M
E
K
Q
H
R
D
A
A
L
S
I
G
P
F
L
E
L
P
R
P
L
Q
R
R
---
V
L
Q
L
L
L
L
R
L
Y
G
G
V
P
P
T
L
T
---
S
-
V
H
I
G
H
I
L
M
L
C
E
R
G
R
P
S
G
M
I
D
L
P
K
G
L
K
V
I
R
S
Y
D
R
C
L
F
T
F
D
A
E
-
S
G
----
E
K
G
Y
W
-
F
E
L
P
V
--
P
A
--
L
-
L
P
L
P
N
G
Y
A
I
---
I
S
E
F
G
E
H
Y
P
R
K
Q
A
G
N
D
W
F
V
V
--
D
P
A
S
V
S
L
P
L
R
V
R
T
R
R
R
G
D
R
M
V
L
K
-
G
T
G
G
T
K
K
L
K
E
I
F
I
E
A
K
I
P
R
M
E
R
D
R
W
P
I
V
E
D
A
D
G
R
I
L
W
V
P
G
L
--
30
HHSearch
65.27
20%
-70
- C3 -
3VRH
1
?
A:
[36-255]
----------------------------------
R
T
I
E
R
Y
-
K
L
L
T
K
D
E
R
I
L
V
A
V
S
G
G
K
D
S
A
V
T
A
Y
V
L
K
K
L
-----
G
-
Y
-
N
-
I
E
C
L
H
I
N
L
G
I
S
-
G
-
Y
S
E
K
S
----
E
E
Y
A
K
K
Q
----------
C
K
L
I
-----
G
A
---
P
-
L
H
I
V
R
--
I
--------
K
--------
E
I
L
GYGIGEVKTR
R
---------------------
P
-------------
P
-------------
C
S
Y
------
C
G
L
T
K
-
R
Y
I
--------
M
N
K
F
A
Y
D
N
----
G
-
F
----
D
A
I
A
T
G
H
N
L
D
D
E
A
S
F
L
L
N
N
I
L
H
W
N
T
--
E
Y
----
L
A
K
G
G
P
I
LP
Q
Q
----
G
K
F
I
K
K
V
K
P
L
Y
E
-
V
-------
T
E
R
----------
E
V
V
-----
A
Y
A
L
A
V
G
L
-
E
Y
------
I
V
E
E
C
P
Y
-------
T
T
L
D
M
K
G
-
V
L
N
E
L
E
E
K
R
P
G
T
K
F
N
F
V
----
R
G
Y
L
K
K
K
K
L
F
E
P
K
E
C
K
I
C
R
M
-----------
P
--------
S
S
G
D
I
C
A
F
C
K
F
W
G
L
K
K
E
I
N
F
K
V
S
S
T
D
E
E
---
P
F
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
65.22
33%
-82
- C3 -
1NI5
-
TILS_ECOLI
A:
[4-200]
------------------------------------
T
L
N
R
-
Q
L
L
T
S
R
Q
-
I
L
V
A
F
S
G
G
L
D
S
T
V
L
L
H
Q
L
V
Q
W
R
T
E
N
P
G
-
V
-
A
-
L
R
A
I
H
V
H
H
G
L
S
-
A
-
N
A
D
A
W
V
T
H
C
E
N
V
C
Q
Q
W
-------------------
Q
V
---
P
-
L
V
V
E
R
--
V
--------
Q
L
A
Q
E----
G
------------
L
---------------------
G
-------------
I
-------------
E
A
Q
------
A
R
Q
A
R
-
Y
Q
A
--------
F
A
R
T
L
L
P
G
-----------
E
V
L
V
T
A
Q
H
L
D
D
Q
C
E
T
F
L
L
A
L
K
R
G
S
G
--
P
A
---
G
L
S
A
M
A
E
V
--
S
E
----
F
A
G
T
R
L
I
R
P
L
L
A
R
T
-------
R
G
E
----------
L
V
Q
W
A
R
Q
Y
D
------
L
-
R
W
------
I
E
D
E
S
N
Q
D
D
S
Y
---
D
R
N
F
L
R
L
R
V
V
P
L
L
Q
Q
R
W
P
H
F
A
E
A
T
A
----
R
S
A
A
L
C
A
E
Q
E
S
L
L
D
E
L
L
A
D
D
-----------
L
--------
A
H
C
Q
S
P
Q
G
T
L
Q
I
V
P
M
L
A
M
S
D
A
R
R
A
A
I
I
R
---
R
W
L
A
G
Q
N
A
P
M
P
S
R
D
A
L
V
R
---
I
-
W
Q
E
V
A
L
A
R
E
D
A
S
P
C
L
R
L
G
A
F
E
I
R
R
Y
Q
S
Q
L
W
W
I
K
S
V
T
G
Q
S
E
N
-
I
V
----
P
W
Q
T
W
-
L
Q
P
L
E
--
L
P
--
A
-
G
L
G
S
V
Q
L
N
A
---
G
G
D
I
R
P
P
R
A
D
E
A
V
S
V
R
F
K
A
P
--
G
L
L
H
I
V
G
R
N
G
G
R
K
L
K
K
I
W
Q
E
L
G
V
-
P
P
W
L
R
D
T
T
P
L
L
F
Y
G
E
T
L
I
A
A
A
G
V
F
V
T
Q
E
G
V
A
E
G
E
N
G
V
S
F
V
W
--
38
HHSearch
57.47
22%
-95
- C3 -
2YWB
-
GUAA_THET8
A:
[200-364]
------------------------------------
L
R
E
V
-
R
E
R
A
G
K
D
R
V
L
L
A
V
S
G
G
V
D
S
S
T
L
A
L
L
L
A
K
A
-----
G
-
V
-
D
-
H
L
A
V
F
V
D
H
G
L
L
-
R
---
L
G
E
----
R
E
E
V
E
G
A
----------
L
R
A
L
-----
G
V
---
N
-
L
L
V
V
D
--
A
--------
K
--------
E
------------
R
F
L
K
A
L
KGVED
P
E
---------
E
-------------
K
-------------
R
K
I
------
I
G
R
E
F
-
V
A
A
--------
F
S
Q
V
A
R
E
R
----
G
P
F
----
R
F
L
A
Q
G
T
L
Y
P
D
V
I
E
------------------------------GLPE
D
L
E
F
E
L
L
E
P
F
R
L
-
L
-------
F
K
D
----------
E
V
R
-----
E
------
L
-
A
L
------
L
L
G
L
P
D
T
L
R
L
R
---
H
P
F
P
G
P
G
L
A
V
R
V
L
G
E
V
T
E
E
R
L
E
I
L
R
----
R
A
D
D
I
F
T
S
L
L
R
E
W
G
L
Y
E
K
V
A
-----------
Q
--------
A
L
A
V
L
T
P
V
G
Y
V
L
A
L
R
A
V
T
T
E
D
F
M
T
A
D
W
A
---
R
L
P
L
E
F
L
D
E
A
A
R
R
I
T
R
R
V
---
P
-
E
I
G
R
V
V
Y
D
L
T
S
K
P
P
A
T
I
E
W
E
----------------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
57.23
18%
-116
- C3 -
2NZ2
3
ASSY_HUMAN
A:
[5-175]
----------------------------------------------
K
G
S
V
V
L
A
Y
S
G
G
L
D
T
S
C
I
L
V
W
L
K
E
Q
-----
G
-
Y
-
D
-
V
I
A
Y
L
A
N
I
G
Q
K
------
E
D
----
F
E
E
A
R
K
K
----------
A
L
K
L
-----
G
A
---
K
K
V
F
I
E
D
--
V
--------
S
--------
R
------------
E
F
V
E
EF
I
W
P
-------------
A
-------------
I
Q
S
SALYEDRYLL
G
T
S
L
------
A
R
P
C
I
-
A
R
K
--------
Q
V
E
I
A
Q
R
E
----
G
-
A
----
K
Y
V
S
H
G
A
T
G
K
G
N
D
Q
V
R
F
E
-
L
S
------
C
------
Y
S
L
A
-----------
P
Q
I
K
V
I
A
P
W
R
M
-
P
EFYNRFK-
R
N
----------
D
L
M
-----
E
Y
A
K
Q
H
G
I
-
P
I
------
P
V
T
P
K
N
P
W
S
M
D
---
E
N
L
M
H
I
S
Y
E
A
G
I
L
E
N
P
K
N
Q
A
P
P
G
L
Y
----
T
K
T
Q
D
P
A
K
A
P
N
T
P
D
I
L
E
I
E
F
-----------
K
--------
K
G
V
P
V
K
V
T
N
V
K
D
G
T
T
H
Q
T
S
L
E
L
F
M
Y
L
N
E
---
V
A
G
K
H
G
V
G
R
I
D
I
V
E
N
R
F
I
---
G
-
M
K
S
R
G
I
Y
E
T
P
A
G
T
I
L
Y
H
A
H
L
D
I
E
A
F
T
M
D
R
E
V
R
K
I
K
Q
G
L
G
L
K
-
F
A
----
E
L
V
Y
T
-
G
F
W
H
S
--
P
E
--
C
-
E
F
V
R
H
C
I
A
K
---
S
Q
E
R
V
E
G
K
V
Q
V
S
V
L
K
G
Q
V
Y
I
--
L
G
R
E
S
P
L
S
L
Y
N
E
E
L
V
S
N
V
Q
G
D
Y
E
-
P
T
D
A
T
G
F
I
N
I
N
S
L
R
L
K
E
Y
H
R
L
Q
S
--------------------
35
HHSearch
57.08
21%
-97
- C3 -
2C5S
1
THII_BACAN
A:
[186-336]
---------------------------------------------
V
G
G
K
V
M
V
L
L
S
G
G
I
D
S
P
V
A
A
Y
L
T
M
K
R
-----
G
-
V
-
S
-
V
E
A
V
H
F
H
S
P
P
F
-
T
--
S
E
R
A
----
K
Q
K
V
I
D
L
----------
A
Q
E
L
TKYCK
R
V
---
T
-
L
H
L
V
P
--
F
--------
T
--------
E
------------
V
Q
K
T
I
N
K
EIPSS----------
Y
-------------
S
-------------
M
T
V
------
M
R
R
M
M
-
M
R
I
--------
T
E
R
I
A
E
E
R
----
N
-
A
----
L
A
I
T
T
G
E
S
L
G
Q
V
A
S
Q
T
L
D
S
M
H
T
--------------
I
N
E
V
---------
T
N
Y
P
V
I
R
P
L
I
T
-
M
-------
D
K
L
----------
E
I
I
-----
K
------
I
-
A
E
------
E
I
G
T
Y
D
I
S
I
R
P
---
Y
K
P
K
R
E
K
A
N
R
F
E
A
K
Y
D
F
T
P
L
I
D
E
A
V
----
A
N
K
E
T
M
V
L
Q
T
V
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
56.91
16%
-82
- C3 -
3K32
-
Y690_METJA
A:
[6-190]
----------------------------------------------
L
M
D
V
H
V
L
F
S
G
G
K
D
S
S
L
S
A
V
I
L
K
K
L
-----
G
-
Y
-
N
-
P
H
L
I
T
I
N
F
G
V
I
------
P
S
----
Y
K
L
A
E
E
T
----------
A
K
I
L
-----
G
F
---
K
-
H
K
V
I
T
--
L
--------
D
--------
R
------------
K
---------------------
I
V
E
K
A
A
D
M
I
I
E
HKY
P
-------------
G
P
A
------
I
Q
Y
V
H
-
K
T
V
--------
L
E
I
L
A
D
------
E
-
Y
----
S
I
L
A
D
G
T
R
R
D
D
R
V
P
K
L
S
Y
S
E
-------------
I
Q
S
L
E
M
---------
R
K
N
I
Q
Y
I
T
P
L
M
G
-
F
-------
G
Y
K
----------
T
L
R
-----
H
L
A
S
E
F
F
I
L
E
E
------
I
K
S
------
D
Y
E
A
E
I
R
H
I
L
K
E
R
G
E
S
-
P
E
K
Y
F
P
E
K
Q
T
R
V
V
----
G
L
K
K
E
I
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
HHSearch
56.07
18%
-112
- C3 -
1VL2
-
ASSY_THEMA
A:
[2-160]
----------------------------------------------
K
E
K
V
V
L
A
Y
S
G
G
L
D
T
S
V
I
L
K
W
L
C
E
K
-----
G
-
F
-
D
-
V
I
A
Y
V
A
N
V
G
Q
K
------
D
D
----
F
V
A
I
K
E
K
----------
A
L
K
T
-----
G
A
S--
K
-
V
Y
V
E
D
--
L
--------
R
--------
R
------------
E
F
V
TDY
I
F
T
A
L
L
G
NAMYEGRYL
L
-------------
G
-------------
T
A
I
------
A
R
P
L
I
-
A
K
R
--------
Q
V
E
I
A
E
K
E
----
G
-
A
----
Q
Y
V
A
H
G
A
T
G
K
G
N
D
Q
V
R
F
E
L
T
-------------
Y
A
A
L
N
-----------
P
N
L
K
V
I
S
P
W
K
D
-
P
E
F
L
A
K
F
K--
T
----------
D
L
I
-----
N
------
Y
-
A
M
------
E
K
G
I
P
I
K
V
S
K
K
---
R
P
Y
S
E
D
E
N
L
M
H
I
S
H
E
A
G
K
L
E
D
P
A
H
I
----
P
D
E
D
V
F
T
W
T
V
S
P
K
D
A
P
D
E
E
T
-----------
L
--------
L
E
I
H
F
E
N
G
I
P
V
K
V
V
N
L
K
D
G
T
E
K
T
D
P
L
E
L
---
F
E
Y
L
N
E
V
G
A
K
N
G
V
G
R
L
D
M
---
V
-
E
N
R
F
I
G
I
K
S
R
G
V
Y
E
T
P
G
A
T
I
L
W
I
A
H
R
D
L
E
G
I
T
M
D
K
E
V
M
H
L
R
-
D
M
----
L
A
P
K
F
-
A
E
L
I
Y
--
N
G
--
F
-
W
F
S
P
E
M
E
F
L
---
L
A
A
F
R
K
A
Q
E
N
V
T
G
K
V
T
V
S
I
Y
--
K
G
N
V
M
P
V
A
R
Y
S
P
Y
S
L
Y
N
P
G
G
F
D
A
-
T
D
S
K
G
F
I
N
I
H
A
L
R
L
K
V
H
Q
L
V
K
K
G
Y
Q
R
-----------------
56
Fugue
55.82
14%
-32
- C3 -
2DER
5
MNMA_ECOLI
A:
[17-380]
----------------------------------------------
A
K
K
V
I
V
G
M
S
G
G
V
D
S
-
S
V
S
A
W
L
L
Q
Q
Q
G
Y
-
Q
V
-
E
-
G
-
L
F
M
K
N
W
E
E
D
D
G
-
E
-
E
Y
C
T
A
----
A
A
D
L
A
D
A
----------
Q
A
V
C
-----
D
K
L
G
I
E
-
L
H
T
V
N
--
F
-----------------------------------------------------------------------------------------
A
A
E
Y
W
-
D
N
V
--------
F
E
L
F
L
A
E
Y
----
K
-
A
----
G
R
--
T
P
N
P
D
I
L
C
N
K
E
I
K
F
K
A
F
L
E
F
A
--
A
E
---
D
L
G
----
A
--
D
Y
----
I
A
T
G
H
Y
V
--------------
R
R
A
----------
D
V
D
-----
G
------
K
-
S
R
------
L
L
R
G
L
D
S
N
K
D
---------
Q
S
Y
F
L
Y
T
L
S
--
H
E
Q
I
A
Q
S
L
F
----
P
V
G
E
L
E
---
K
P
Q
V
R
K
I
A
E
D
L
-----------
G
--------
L
V
K
F
R
E
F
L
G
R
Y
L
P
A
Q
P
G
K
I
I
T
-----
V
D
---
G
D
E
I
G
E
H
Q
G
L
M
Y
H
T
L
G
Q
R
---
K
-
G
L
G
I
G
G
T
K
E
----
G
T
E
E
P
W
Y
V
V
D
K
D
V
E
N
N
I
L
V
V
A
Q
G
H
E
-
H
P
-
R
L
----
M
S
V
G
L
-
I
A
Q
Q
L
--
H
W
--
V
-
D
R
E
P
F
T
G
T
M
---
R
C
T
V
K
T
R
Y
R
Q
T
D
I
P
C
T
V
K
A
L
--
D
D
D
R
--------
I
E
V
I
F
D
E
P
V
A
A
-
V
T
P
G
Q
----
S
A
V
F
Y
N
G
E
V
C
L
----------
G
G
G
I
I
E
Q
R
L
P
L
PV
6
PsiBlast_PDB
53.82
29%
-98
- C3 -
3VRH
1
?
A:
[43-169]
------------------------------------------
L
L
T
K
D
E
R
I
L
V
A
V
S
G
G
K
D
S
A
V
T
A
Y
V
L
----
K
K
-
L
G
-
Y
-
N
-
I
E
C
L
H
I
N
L
G
I
S
-
G
-
Y
S
E
K
S
----
E
E
Y
A
K
K
Q
----------
C
K
L
I
-----
G
A
---
P
-
L
H
I
V
R
--
I
--------
K
--------
E
------------
I
---------------------
L
GYGI---------
G
-------------
E
V
K
------
T
R
R
P
P
-
C
S
Y
C
G
L
T
K
R
Y
I
M
N
K
F
A
Y
D
N
----
G
-
F
----
D
A
I
A
T
G
H
N
L
D
D
E
A
S
F
L
L
N
N
I
L
H
W
N
T
--
E
Y
---
L
A
K
G
G
P
I
L
--
P
Q
----
Q
G
K
F
I
K
K
V
K
P
L
Y
-
E
-------
V
T
E
----------
R
E
V
-----
V
------
A
-
Y
A
------
L
A
V
G
L
E
Y
I
V
E
E
---
C
P
Y
T
T
L
D
M
K
G
V
L
N
E
L
E
E
K
R
P
G
T
K
F
N
----
F
V
R
G
Y
L
K
K
K
K
L
F
E
P
K
E
C
K
I
C
-----------
R
--------
M
P
S
S
G
D
I
C
A
F
C
K
F
W
G
L
K
K
E
I
N
F
K
V
S
S
T
D
---
E
E
P
F
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
HHSearch
53.44
15%
-80
- C3 -
3BL5
2
QUEC_BACSU
A:
[3-168]
----------------------------------------------
K
E
K
A
I
V
V
F
S
G
G
Q
D
S
T
T
C
L
L
W
A
L
K
E
-----
F
-
E
-
E
-
V
E
T
V
T
F
H
Y
N
Q
R
-
H
---
S
Q
E
----
V
E
V
A
K
S
I
----------
A
E
K
L
-----
G
V
---
K
-
N
H
L
L
D
--
M
--------
S
--------
L
------------
L
NQLAPNALT------------
S
-------------
T
-------------
F
V
P
------
G
R
N
L
V
F
L
S
F
--------
A
S
I
L
A
Y
Q
I
----
G
-
A
----
R
H
I
I
T
G
V
C
E
----
G
Y
P
D
C
---
R
D
E
F
--
V
K
---
S
C
N
V
T
V
N
L
--
A
M
----
E
K
P
F
V
I
H
T
P
L
M
W
-
L
-------
N
K
A
----------
E
T
W
-----
K
------
L
-
A
D
------
E
L
G
A
L
D
F
V
K
N
N
---
T
L
T
C
Y
N
G
I
I
A
D
G
C
G
E
C
P
A
C
H
L
R
S
K
G
----
Y
E
E
Y
M
V
M
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
HHSearch
51.93
17%
-76
- C3 -
2VXO
3
GUAA_HUMAN
A:
[229-425]
----------------------------------
E
C
I
R
E
I
-
K
E
R
V
G
T
S
K
V
L
V
L
L
S
G
G
V
D
S
T
V
C
T
A
L
L
N
R
A
L
N
---
Q
-
E
-
Q
-
V
I
A
V
H
I
D
N
G
F
M
-
R
---
K
R
E
----
S
Q
S
V
E
E
A
----------
L
K
K
L
-----
G
I
---
Q
-
V
K
V
I
N
--
A
--------
A
--------
H
------------
S
F
Y
N
G
T
T
T
L
PRISKTLNMT---
T
-------------
S
-------------
P
E
E
------
K
R
K
I
I
-
G
D
T
--------
F
V
K
I
A
N
E
V
I
G
E
M
N
-
L
KPEE
V
F
L
A
Q
G
T
L
R
P
D
L
I
E
S
A
S
L
V
A
-
S
G
K
A
EL
I
K
T
H
H
N
D
T
E
L
I
R
K
--
L
-----
R
E
E
G
K
V
I
E
P
L
K
D
-
F
-------
H
K
D
----------
E
V
R
-----
I
------
L
-
G
R
------
E
L
G
L
P
E
E
L
V
S
R
---
H
P
F
P
G
P
G
L
A
I
R
V
I
C
A
E
E
P
Y
I
C
K
D
F
P
----
E
T
N
N
I
L
K
I
V
A
D
F
S
A
S
V
K
K
P
H
-----------
T
--------
L
L
Q
R
V
K
A
C
T
T
E
E
D
Q
E
K
L
M
Q
I
T
S
L
H
S
L
N
A
---
F
L
L
P
I
K
T
V
G
V
Q
G
D
C
R
S
Y
S
---
Y
-
V
C
G
I
S
S
K
D
E
P
D
W
E
S
L
I
F
L
A
R
L
I
P
R
M
C
H
N
V
N
R
V
V
Y
I
F
G
P
P
V
K
-
E
P
----
P
T
D
V
T
-
P
T
F
L
T
--
T
G
--
V
-
L
S
T
L
R
Q
A
D
F
---
E
A
H
N
I
L
R
E
S
G
Y
A
G
K
I
S
Q
M
P
V
--
I
L
T
P
L
H
F
D
R
D
P
L
Q
K
Q
P
S
C
Q
R
S
V
V
-
I
R
T
F
I
T
S
D
F
M
T
G
I
P
A
T
P
G
N
E
I
P
V
E
V
V
L
K
M
V
T
E
I
K
K
I
P
G
I
S
R
--