@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 : Wbm0045: (2015-11-28 )
MISSQIGSGIFMLPISLAPYGTYSLISWAVSGLGAILLALVFALLCAKFPETGGPHVYVKHAFGPTAAFFVGWTYWASSWVSSTAVIVASIGYLAPLFHNNIQNIRLFLEIALILAIMLINLRGITTVGHVELLLMTVKITVLFAVPIAALLLFDRNNFVVSEEISNLTISQAFARSTLLTLWCFIGLEIVTASAGSVENPSKTIPRAIVFGTVFVAIIYFINSLAIMGLINGNHLANSKAPYADVIKIILPGNWYLIISIVAFIVSVSSLNAWFLADGQVALGLAKDKLMPQFFAKRNKYGAPFCGIIINTLGILALLVLISSKNFAKQVTSIIDVSVVSFLFVYLTCCLAFLKVIIQEKNYYKFLIGGMAVLFCCWIIYETPMNTLLIASLFPLSGTPTYLLWYRKPTK
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----------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--------------MISSQI-GS
G
I
F
M
L
-
P
ISLA-PY-
G
T
Y
S
L
I
S
W
A
V
S
G
L
G
A
I
L
L
A
L
V
F
A
L
L
C
A
KFPETGG
P
H
V
Y
V
K
HAFGP---T
A
-
A
F
F
V
G
W
T
Y
W
A
S
S
-WV-S
S
T
A
V
I
V
A
S
I
G
Y
L
A
P
L
F
H-NN
I
-
Q
N
I
R
L
F
L
-
E
I
A
L
I
L
A
I
-
M
L
I
NLRG
I
T
TV
G
H
--
V
E
L
L
L
M
T
V
K
I
T
V
L
F
A
V
P
I
A
A
L
L
L
FD-RN
N
F
-------
V
------
V
-
S
E
---EISN-L--
T
--
I
S
Q
A
F
---
A
R
S
T
-
L
L
T
L
W
C
F
I
G
L
E
I
V
TASAGSVENPSKTI----
P
R
A
I
V
F
G
T
V
F
V
A
I
I
Y
F
------
I
N
S
L
A
I
M
---
G
L
IN---G--N---------------HLA-NSKA
P
Y
A
D
V
I
K
I
I
LPG
N
------
W
Y
L
I
I
S
I
V
A
F
I
V
S
-VSS-----L
N
A
W
F
LADG
Q
V
A
-
L
GLAKD
K
L
M
P
Q
F
F
A
KRN-KYGA
P
--
F
C
G
I
I
I
N
T
L
G
I
L
A
L
L
V
L
IS--S
K
N
F
A
K
Q
V
--------------
T
S
I
I
D
V
S
V
V
S
F
L
F
V
Y
-
L
T
C
C
L
A
F
L
K
V
I
IQ----EKN--------------
Y
Y
K
-----
F
L
I
G
G
M
A
V
L
F
C
C
W
I
I
Y
ETP----------M---N
T
L
L
I
A
S
LFPLSGT
P
T
Y
L
L
W
YRKPTK-----------
2
PsiBlast_PDB
91.23
30%
-158
- C4 -
3OB6
1
ADIC_ECOLI
A:
[18-402]
--------------
M
V
S
G
N
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
A
I
A
M
V
V
I
G
V
G
Y
L
S
Y
F
F
P
-
I
L
K
-
D
P
L
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
W
---
N
V
S
G
-
L
--
G
--
T
F
G
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
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
-----------
5
PsiBlast_PDB
87.98
30%
-165
- C4 -
3L1L
2
ADIC_ECO57
A:
[18-402]
--------------
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
SI
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
ARPAY
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
-----------
1
PsiBlast_PDB
87.36
30%
-153
- C4 -
3NCY
-
ADIC_SALTY
A:
[18-402]
--------------
M
V
S
G
N
I
M
G
S
G
V
F
L
L
-
P
A
N
L
A
-
A
T
-
G
G
I
A
I
Y
G
W
L
V
T
I
I
G
A
L
A
L
S
M
V
Y
A
K
M
S
S
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
L
V
L
T
L
-
T
C
V
A
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
V
P
I
V
G
I
A
V
F
G
W
F
W
F
K
-
G
E
-------------------
W
---
N
V
S
G
-
M
--
N
--
T
F
G
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
------
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
-----------
9
HHSearch
86.76
27%
-149
- C4 -
3L1L
2
ADIC_ECO57
A:
[20-432]
---------------
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
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
GKAR----------
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
-----------
4
PsiBlast_PDB
86.36
30%
-158
- C4 -
3LRC
-
ADIC_ECO57
A:
[18-402]
--------------
M
V
S
G
N
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
L
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
W
---
N
V
S
G
-
L
--
G
--
T
F
G
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
--------------------------------------
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
SI
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
AR
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
-----------
3
PsiBlast_PDB
85.87
30%
-154
- C4 -
3LRB
-
ADIC_ECO57
A:
[18-402]
--------------
M
V
S
G
N
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
L
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
W
---
N
V
S
G
-
L
--
G
--
T
F
G
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
--------------------------------------
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
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
ARPAY
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
-----------
18
Fugue
82.50
22%
-151
- C4 -
3GIA
7
Y609_METJA
A:
[3-435]
LKNKKLS
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
VGGR
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
NNMYVKS
10
HHSearch
81.27
22%
-150
- C4 -
3GIA
7
Y609_METJA
A:
[18-423]
---------------
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
GR------------
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
-----------
7
PsiBlast_PDB
69.87
25%
-133
- C4 -
3GIA
6
Y609_METJA
A:
[44-361]
--------------------------------------------
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
SE
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
-----------
6
PsiBlast_PDB
69.05
25%
-133
- C4 -
3GI9
-
Y609_METJA
C:
[44-361]
--------------------------------------------
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
SE
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
-----------
8
PsiBlast_PDB
68.29
25%
-136
- C4 -
3GI8
-
Y609_METJA
C:
[44-361]
--------------------------------------------
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
NII
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
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
GVAISA
I
G
N
L
P
I
D
---
E
L
I
K
---
A
SE
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
-----------
19
Fugue
66.51
14%
-153
- C4 -
4DJK
-
GADC_ECOLI
A:
[12-501]
------QLT
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
GG
T
K
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
APEIEW
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
LKRT
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
DNIQGDSTDM
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
PRARSP-----
11
HHSearch
49.92
12%
-124
- C4 -
2XQ2
3
SGLT_VIBPH
A:
[62-385]
----------------
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
Y
G
G
---
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
EMI
L
D
Q
S
N
P
QY
M
--
N
L
P
G
I
AVL
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
A
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
GNLP-----
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
A
L
I
A
P
--
M
L
G
G
I
G
Q
C
--------------
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
-----------
24
Fugue
45.86
14%
-108
- C3 -
1B04
-
DNLJ_GEOSE
A:
[2-313]
---------------
D
R
Q
Q
A
-
E
R
R
A
A
E
L
-
R
E
L
L
N
-
R
Y
-
G
Y
E
Y
Y
V
L
-----
D
R
P
S
V
P
D
A
E
Y
D
R
L
M
Q
E
L
I
A
I
E
E
Q
Y
P
E
L
K
T
S
D
S
P
---
T
Q
-
R
--
I
G
G
P
P
L
E
-
A
-
F
R
-
K
V
A
--------------
H
-
R
V
-------------------
P
M
M
S
L
A
N
A
F
G
E
G
D
--
L
R
D
F
D
R
R
V
R
Q
E
V
G
-
E
A
A
Y
V
C
E
L
A
I
D
-
G
L
A
V
-------
S
------
V
-
R
Y
---
E
D
G
Y
-
F
--
V
--
Q
G
A
T
R
---
G
D
G
T
---------
T
G
E
D
I
T
E
N
L
K
T
I
R
S
L
P
L
R
L
KEP
V
-
S
L
E
A
R
G
E
A
F
M
P
K
A
S
F
------
L
R
L
N
E
E
R
---
K
A
R
-------
E
---------------
L
F
A
-
N
P
R
N
A
A
A
G
S
L
R
-------------------------------------------
Q
L
D
-
P
K
V
A
A
S
R
Q
L
D
L
F
V
Y
G
L
A
-
D
-
A
E
A
--
L
--
G
I
A
S
H
S
E
A
L
D
Y
L
Q
A
L
G
---------------------------
F
K
V
N
P
E
R
R
R
C
A
N
-
I
D
E
V
I
A
F
V
S
E
W
H
D
----
K
R
P
--------------
Q
L
P
-----
Y
E
I
D
G
I
V
I
K
V
-------------------
D
---
S
F
A
Q
Q
R
A
L
G
A
T
A
K
S
P
R
W
A
I
A
Y
K
F
P
A
E
-----------
25
Fugue
41.72
13%
-144
- C2 -
1W0H
3
ERI1_HUMAN
A:
[5-203]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
D
S
-
Y
Y
D
Y
I
C
I
I
D
F
E
A
T
----
C
E
E
G
N
P
P
E
F
V
----
H
E
I
I
E
F
P
V
V
L
L
N
T
H
T
L
------
E
I
E
D
T
F
Q
---
Q
Y
V
R
P
E
I
N
--
T
---------------
Q
L
S
-
D
F
C
I
S
L
T
G
I
T
Q
D
Q
V
D
R
A
------
D
T
F
P
Q
V
L
K
K
V
I
D
W
M
K
L
K
ELGTK
Y
K
Y
S
L
L
T
D
G
S
W
D
M
S
-----
K
F
L
N
I
Q
C
Q
L
S
R
-
L
K
Y
P
P
--
F
A
K
K
W
I
N
I
R
K
S
Y
G
N
F
Y
K
V
P
--
R
S
Q
T
K
L
T
I
M
L
E
K
L
GMDYDGRPH
C
G
L
D
D
S
K
N
I
A
R
I
A
V
R
M
L
Q
---
D
G
C
E
L
R
I
N
----
E
K
M
--------------------------------------------------------------------------------------------
12
HHSearch
37.84
13%
-108
- C4 -
3DH4
3
?
A:
[67-355]
----------------
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
EMI
L
D
Q
S
N
P
--
Q
YM
N
L
P
G
I
AVL
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
-----------
23
Fugue
36.26
16%
243
- C4 -
1IQ5
-
?
B:
[4-27]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
P
R
L
D
T
L
I
L
V
K
A
M
G
H
R
K
-
R
F
G
N
P
--
F
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
Fugue
30.02
16%
115
* C4 *
1Y66
7
?
A:
[3-52]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
W
S
------
E
E
V
E
R
K
L
K
E
F
V
R
R
-
H
Q
E
-----
I
T
Q
E
T
L
H
E
Y
A
Q
K
-
L
G
L
N
Q
Q
A
-
I
E
Q
F
F
R
E
F
E
-
Q
R
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
HHSearch
29.53
12%
-111
- C4 -
2JLN
1
?
A:
[62-183]
------------------------------------------
I
V
A
I
A
A
G
C
T
I
A
V
I
L
L
F
F
T
Q
S
A
A
I
R
W
G
I
--
N
F
T
V
A
A
R
M
P
F
G
I
---
R
G
-
S
L
I
P
I
T
L
K
A
L
L
S
-
L
F
-
W
F
G
F
Q
T
W
L
G
A
L
A
L
D
E
I
T
R
L
L
T
G
F
T
N
L
P
L
W
--
I
V
I
F
G
A
I
Q
-
V
V
T
T
F
Y
G
I
T
F
I
R
W
--
M
N
V
F
A
S
P
V
L
L
A
M
G
V
Y
M
V
Y
L
M
L
D
G
A
D
-
V
S
L
G
-------
E
------
V
-
M
S
---
M
G
G
E
-
N
--
P
--
G
M
P
F
S
---
T
A
I
M
-
I
F
V
G
G
W
I
A
V
V
V
S
I
H
D
I
V
K
E
C
K
V
D
P
N
A
S
----
R
E
G
Q
T
K
A
D
A
R
Y
A
T
A
Q
W
------
L
G
M
V
P
A
S
---
I
I
F
G
---
F
--
I
---------------
G
A
A
-
S
M
V
L
V
G
E
W
N
P
V
I
A
I
T
E
V
------
V
G
G
V
S
I
P
M
A
I
L
F
Q
-
V
F
V
-----
L
L
A
T
W
S
T
N
P
A
A
N
-
L
L
S
P
A
Y
T
L
C
S
T
F
P
R
V
F
T
-
F
K
T
G
V
--
I
V
S
A
V
V
G
L
L
M
M
P
W
Q
F
A
G
V
L
--
N
T
F
L
N
L
L
A
--------------
S
A
L
G
P
L
A
G
I
M
I
S
D
Y
F
-
L
V
R
R
R
R
I
S
L
H
D
L
Y
----
R
T
K
--------------
G
I
Y
-----
T
Y
W
R
G
V
N
W
V
A
L
A
V
Y
A
V
A
L
A
----------
V
---
S
F
L
T
P
D
L
M
F
V
T
G
L
I
A
A
L
L
L
H
I
P
A
M
R
W
-----------
21
Fugue
22.77
30%
281
- C4 -
2MAG
1
?
?:
[1-23]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
G
K
F
L
H
S
A
K
-
K
F
G
K
A
--
F
V
G
E
I
M
N
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------