@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 : SA1652: (2016-03-27 )
MVHNKNNTILKMIKGEETSHTPVWFMRQAGRSQPEYRKLKEKYSLFDITHQPELCAYVTHLPVDNYHTDAAILYKDIMTPLKPIGVDVEIKSGIGPVIHNPIKTIQDVEKLSQIDPERDVPYVLDTIKLLTEEKLNVPLIGFTGAPFTLASYMIEGGPSKNYNFTKAMMYRDEATWFALMNHLVDVSVKYVTAQVEAGAELIQIFDSWVGALNVEDYRRYIKPHMIRLISEVKEKHDVPVILFGVGASHLINEWNDLPIDVLGLDWRTSINQAQQLGVTKTLQGNLDPSILLAPWNVIEERLKPILDQGMENGKHIFNLGHGVFPEVQPETLRKVSEFVHTYTQR
Atome Classification :
(22 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...---
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-MVHNKNN
T
I
L
K
M
IKGEETSHTP
V
W
F
M
R
Q
AGRS
Q
P
E
Y
R
K
L
K
E
KYSLF-D-ITHQP
E
L
C
A
Y
V
THLPVDNYHT
D
A
A
I
L
Y
K
D
I
MTPLKPI
G
V
D
V
E
IKSGI
G
P
V
IHN
P
I
K
T
I
Q
D
V
E
K
L
SQID-PE---RDV
P
Y
V
L
D
T
I
K
L
L
T
E
E-KL--N-V
P
L
I
GFTGA
P
F
T
L
A
S
Y
M
IEGGPSKNYN
F
T
K
A
M
M
YRDE
A
T
W
F
A
L
M
N
H
L
V
D
V
S
V
K
Y
V
T
A
Q
V
EA
G
A
E
L
I
Q
I
F
D
S
W
V
GAL
N
V
E
D
Y
R
R
Y
I
K
P
H
M
I
R
L
I
S
E
V
K
E
K------HD------V
P
V
I
L
F
GV
G
A
S
-
H
L
I
N
EWNDLP
I
D
V
LGLDWRTSIN
Q
A
Q
Q-LGV-TK-TLQGNLDP
S
I
L
LA
P
W
N
V
I
E
E
R
L
K
P
I
L
D
Q
G
M
ENG
K
---
H
I
F
NLGHGVFPEV
Q
P
E
T
L
R
K
V
S
E
F
V
H
T
Y
TQR---
1
PsiBlast_PDB
98.50
69%
-117
- C3 -
2INF
-
DCUP_BACSU
A:
[8-345]
------
N
E
T
F
L
K
A
A
R
G
E
K
A
D
H
T
P
V
W
Y
M
R
Q
A
G
R
S
Q
P
E
Y
R
K
L
K
E
K
Y
G
L
F
-
E
-
I
T
H
Q
P
E
L
C
A
Y
V
T
R
L
P
V
E
Q
Y
G
V
D
A
A
I
L
Y
K
D
I
M
T
P
L
P
S
I
G
V
D
V
E
I
K
N
G
I
G
P
V
I
D
Q
P
I
R
S
L
A
D
I
E
K
L
G
Q
I
D
-
P
E
---
Q
D
V
P
Y
V
L
E
T
I
K
L
L
V
N
E
-
Q
L
--
N
-
V
P
L
I
G
F
S
G
A
P
F
T
L
A
S
Y
M
T
E
G
G
P
S
K
N
Y
N
K
T
K
A
F
M
Y
S
M
P
D
A
W
N
L
L
M
S
K
L
A
D
M
I
I
V
Y
V
K
A
Q
I
K
A
G
A
K
A
I
Q
I
F
D
S
W
V
G
A
L
N
Q
A
D
Y
R
T
Y
I
K
P
V
M
N
R
I
F
S
E
L
A
-
K
------
E
N
------
V
P
L
I
M
F
G
V
G
A
S
-
H
L
A
G
D
W
H
D
L
P
L
D
V
V
G
L
D
W
R
L
G
I
D
E
A
R
S
-
K
G
I
-
T
K
-
T
V
Q
G
N
L
D
P
S
I
L
L
A
P
W
E
V
I
E
Q
K
T
K
E
I
L
D
Q
G
M
E
S
D
G
---
F
I
F
N
L
G
H
G
V
F
P
D
V
S
P
E
V
L
K
K
L
T
A
F
V
H
E
Y
S
Q
----
26
HHSearch
97.53
69%
-114
- C3 -
2INF
-
DCUP_BACSU
A:
[6-345]
----
T
F
N
E
T
F
L
K
A
A
R
G
E
K
A
D
H
T
P
V
W
Y
M
R
Q
A
G
R
S
Q
P
E
Y
R
K
L
K
E
K
Y
G
L
F
-
E
-
I
T
H
Q
P
E
L
C
A
Y
V
T
R
L
P
V
E
Q
Y
G
V
D
A
A
I
L
Y
K
D
I
M
T
P
L
P
S
I
G
V
D
V
E
I
K
N
G
I
G
P
V
I
D
Q
P
I
R
S
L
A
D
I
E
K
L
G
Q
I
D
-
P
E
---
Q
D
V
P
Y
V
L
E
T
I
K
L
L
V
N
E
-
Q
L
--
N
-
V
P
L
I
G
F
S
G
A
P
F
T
L
A
S
Y
M
T
E
G
G
P
S
K
N
Y
N
K
T
K
A
F
M
Y
S
M
P
D
A
W
N
L
L
M
S
K
L
A
D
M
I
I
V
Y
V
K
A
Q
I
K
A
G
A
K
A
I
Q
I
F
D
S
W
V
G
A
L
N
Q
A
D
Y
R
T
Y
I
K
P
V
M
N
R
I
F
S
E
L
A
K
E
-------
N
------
V
P
L
I
M
F
G
V
G
A
S
-
H
L
A
G
D
W
H
D
L
P
L
D
V
V
G
L
D
W
R
L
G
I
D
E
A
R
S
-
K
-
G
I
T
K
-
T
V
Q
G
N
L
D
P
S
I
L
L
A
P
W
E
V
I
E
Q
K
T
K
E
I
L
D
Q
G
M
E
S
D
G
---
F
I
F
N
L
G
H
G
V
F
P
D
V
S
P
E
V
L
K
K
L
T
A
F
V
H
E
Y
S
Q
----
9
PsiBlast_PDB
87.06
36%
-101
- C3 -
1URO
1
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
14
PsiBlast_PDB
86.88
36%
-100
- C3 -
3GW3
-
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
N
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
11
PsiBlast_PDB
86.61
36%
-104
- C3 -
1R3Y
1
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
10
PsiBlast_PDB
86.54
36%
-103
- C3 -
1R3Q
2
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
12
PsiBlast_PDB
86.50
36%
-101
- C3 -
3GVQ
-
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
8
PsiBlast_PDB
86.47
36%
-102
- C3 -
3GW0
-
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
R
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
15
PsiBlast_PDB
86.03
36%
-100
- C3 -
1JPH
-
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
T
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
17
PsiBlast_PDB
86.00
35%
-103
- C3 -
3GVV
-
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
A
G
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
Y
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
13
PsiBlast_PDB
85.91
36%
-101
- C3 -
3GVR
-
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
24
PsiBlast_CBE
85.80
35%
-104
- C3 -
1R3S
1
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
G
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
19
PsiBlast_PDB
85.78
35%
-102
- C3 -
1R3V
2
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
E
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
16
PsiBlast_PDB
85.68
35%
-101
- C3 -
1R3W
1
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
F
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
23
PsiBlast_CBE
85.56
35%
-102
- C3 -
1R3T
1
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
G
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
48
Fugue
85.54
35%
-98
- C3 -
1URO
1
DCUP_HUMAN
A:
[10-366]
G
F
P
E
L
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
T
-
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
D
P
E
V
V
A
---
S
E
L
G
Y
V
F
Q
A
I
T
L
T
R
Q
R
L
A
G
--
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
------
L
R
E
A
G
L
A
P
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
L
L
R
Q
4
PsiBlast_PDB
85.46
38%
-107
- C3 -
2EJA
1
DCUP_AQUAE
A:
[3-335]
-----
K
N
D
L
L
L
R
S
L
R
G
E
P
I
G
R
F
P
V
W
L
M
R
Q
A
G
R
Y
M
P
E
Y
R
K
I
R
N
R
V
K
N
F
L
E
-
L
C
K
N
V
D
L
A
T
E
I
S
L
L
P
L
K
I
L
G
V
D
A
I
I
I
F
S
D
I
L
V
P
L
E
P
L
G
V
K
V
E
F
V
E
G
E
G
P
K
L
S
W
S
G
K
----
V
S
D
L
K
K
Y
D
-
P
S
---
Q
N
A
-
Y
V
Y
E
I
I
K
R
V
K
E
A
-
Q
D
--
E
-
V
P
V
I
G
F
A
G
A
P
F
T
L
L
S
Y
L
I
E
G
G
A
S
K
D
F
K
S
T
K
L
F
M
W
E
N
P
K
E
Y
K
R
L
M
D
I
L
T
E
T
V
L
A
Y
L
K
E
Q
I
K
A
G
A
D
V
V
Q
I
F
D
S
W
V
N
N
L
S
L
E
D
Y
G
E
Y
V
Y
P
Y
V
N
Y
L
I
S
E
L
K
D
F
------
S
D
------
T
P
V
I
Y
F
F
R
G
S
S
-
S
F
I
D
L
A
V
D
Y
R
A
D
A
L
S
V
D
W
S
V
D
I
P
E
L
F
K
-
I
-
Y
-
D
K
-
G
F
Q
G
N
L
E
P
A
V
L
Y
A
S
E
E
V
I
E
E
K
T
L
G
L
L
R
R
I
P
V
K
T
R
---
Y
V
F
N
L
G
H
G
L
A
P
D
M
E
L
E
K
V
K
Y
L
V
D
L
V
K
S
F
------
18
PsiBlast_PDB
85.38
35%
-100
- C3 -
3GVW
-
DCUP_HUMAN
A:
[15-362]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
A
G
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
Y
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
2
PsiBlast_PDB
85.34
37%
-103
- C3 -
4ZR8
6
?
A:
[11-362]
---
T
L
K
N
D
R
F
L
R
A
L
L
R
E
P
V
D
T
T
P
I
W
M
M
R
Q
A
G
R
Y
L
P
E
Y
R
E
T
R
S
K
A
G
--L
S
-
L
C
K
N
T
E
F
A
C
E
V
T
L
Q
P
L
R
R
Y
D
L
D
A
A
I
L
F
S
D
I
L
T
I
P
D
A
L
G
L
G
L
Y
F
E
T
G
E
G
P
K
F
H
K
T
V
R
T
E
Q
D
V
A
N
L
P
K
L
N
-
A
K
---
A
D
L
D
Y
V
M
N
A
V
S
T
I
R
S
A
L
G
G
--
Q
-
V
P
L
I
G
F
S
G
S
P
W
T
L
A
T
Y
M
V
E
G
G
S
S
K
E
F
R
F
T
K
Q
M
M
Y
A
Q
P
E
V
L
H
A
L
L
D
H
L
A
D
S
V
I
D
Y
L
N
A
Q
I
D
A
G
A
Q
A
I
Q
I
F
D
S
W
G
G
A
L
A
H
R
E
Y
V
E
F
S
L
N
Y
M
K
K
I
I
A
G
L
Q
R
E
------
K
D
G
R
R
---
I
P
V
I
V
F
T
K
G
G
G
-
Q
W
L
E
P
M
I
T
T
G
A
D
A
L
G
L
D
W
T
T
P
L
N
T
A
R
T
-
T
V
A
-
G
R
V
A
L
Q
G
N
L
D
P
A
V
L
Y
G
S
A
A
S
I
E
K
A
V
K
A
M
L
D
D
A
Y
A
N
G
E
KTG
Y
V
A
N
L
G
H
G
I
T
Q
W
V
D
P
A
Q
P
K
I
F
V
D
T
V
H
E
Y
S
A
K
---
25
PsiBlast_CBE
85.24
35%
-104
- C3 -
2Q71
1
DCUP_HUMAN
A:
[5-352]
-----
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
D
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
--
D
-
P
E
V
V
A
S
E
L
G
Y
V
F
Q
A
I
T
-
L
T
R
Q
-
R
L
AG
R
-
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
R
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
G
L
A
P
------
V
P
M
I
I
F
A
K
D
G
H
-
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
C
V
G
K
-
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
-
F
G
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
----
21
PsiBlast_CBE
84.77
37%
-100
- C3 -
4ZR8
5
?
B:
[12-362]
----
L
K
N
D
R
F
L
R
A
L
L
R
E
P
V
D
T
T
P
I
W
M
M
R
Q
A
G
R
Y
L
P
E
Y
R
E
T
R
S
K
A
G
D
F
L
S
-
L
C
K
N
T
E
F
A
C
E
V
T
L
Q
P
L
R
R
Y
D
L
D
A
A
I
L
F
S
D
I
L
T
I
P
D
A
L
G
L
G
L
Y
F
E
T
G
E
G
P
K
F
H
K
T
V
R
T
E
Q
D
V
A
N
L
P
K
L
N
-
A
K
---
A
D
L
D
Y
V
M
N
A
V
S
T
I
R
S
A
L
G
G
--
Q
-
V
P
L
I
G
F
S
G
S
P
W
T
L
A
T
Y
M
V
E
G
G
S
S
K
E
F
R
F
T
K
Q
M
M
Y
A
Q
P
E
V
L
H
A
L
L
D
H
L
A
D
S
V
I
D
Y
L
N
A
Q
I
D
A
G
A
Q
A
I
Q
I
F
D
S
W
G
G
A
L
A
H
R
E
Y
V
E
F
S
L
N
Y
M
K
K
I
I
A
G
L
Q
R
E
------
K
D
G
R
R
---
I
P
V
I
V
F
T
K
G
G
G
-
Q
W
L
E
P
M
I
T
T
G
A
D
A
L
G
L
D
W
T
T
P
L
N
T
A
R
T
-
T
V
A
-
G
R
V
A
L
Q
G
N
L
D
P
A
V
L
Y
G
S
A
A
S
I
E
K
A
V
K
A
M
L
D
D
A
Y
A
N
G
E
KTG
Y
V
A
N
L
G
H
G
I
T
Q
W
V
D
P
A
Q
P
K
I
F
V
D
T
V
H
E
Y
S
A
K
---
27
HHSearch
82.75
34%
-97
- C3 -
1R3S
1
DCUP_HUMAN
A:
[11-363]
-
F
P
E
L
K
N
D
T
F
L
R
A
A
W
G
E
E
T
D
Y
T
P
V
W
C
M
R
Q
A
G
R
Y
L
P
E
F
R
E
T
R
A
A
Q
D
F
F
-
S
-
T
C
R
S
P
E
A
C
C
E
L
T
L
Q
P
L
R
R
F
P
L
D
A
A
I
I
F
S
G
I
L
V
V
P
Q
A
L
G
M
E
V
T
M
V
P
G
K
G
P
S
F
P
E
P
L
R
E
E
Q
D
L
E
R
L
R
D
P
E
-
V
V
A
--
S
E
L
G
Y
V
F
Q
A
I
T
L
T
R
Q
R
-
L
A
--
G
R
V
P
L
I
G
F
A
G
A
P
W
T
L
M
T
Y
M
V
E
G
G
G
S
S
T
M
A
Q
A
K
R
W
L
Y
Q
R
P
Q
A
S
H
Q
L
L
R
I
L
T
D
A
L
V
P
Y
L
V
G
Q
V
V
A
G
A
Q
A
L
Q
L
F
E
S
H
A
G
H
L
G
P
Q
L
F
N
K
F
A
L
P
Y
I
R
D
V
A
K
Q
V
K
A
R
L
R
E
A
--
G
L
A
-----
P
V
P
M
I
I
F
A
K
D
G
H
F
A
L
E
E
L
A
Q
A
G
Y
E
V
V
G
L
D
W
T
V
A
P
K
K
A
R
E
-
C
V
G
K
T
V
-
T
L
Q
G
N
L
D
P
C
A
L
Y
A
S
E
E
E
I
G
Q
L
V
K
Q
M
L
D
D
F
G
-
P
H
R
---
Y
I
A
N
L
G
H
G
L
Y
P
D
M
D
P
E
H
V
G
A
F
V
D
A
V
H
K
H
S
R
L
---