@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 : Rv0331: (2016-04-21 )
MSKTVLILGAGVGGLTTADTLRQLLPPEDRIILVDRSFDGTLGLSLLWVLRGWRRPDDVRVRPTAASLPGVEMVTATVAHIDIAAQVVHTDNSVIGYDALVIALGAALNTDAVPGLSDALDADVAGQFYTLDGAAELRAKVEALEHGRIAVAIAGVPFKCPAAPFEAAFLIAAQLGDRYATGTVQIDTFTPDPLPMPVAGPEVGEALVSMLKDHGVGFHPRKALARVDEAARTMHFGDGTSEPFDLLAVVPPHVPSAAARSAGLSESGWIPVDPRTLSTSADNVWAIGDATVLTLPNGKPLPKAAVFAEAQAAVVAHGVARHLGYDVAERHFTGTGACYVETGDHQAAKGDGDFFAPSAPSVTLYPPSREFHEEKVAQELAWLTRWKT
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......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MS
K
T
V
L
I
L
GAGVGGL
T
T
A
D
T
L
R
Q
LLPPED
R
I
I
L
V
DRSFDG
T
L
G
L
S
L
L
W
V
L
RGWRRPD
D
V
R
--VRPTA-A-SLP--G
V
E
M
V
T
A
T
V
A
H
I
D
I
A
A
Q
-
V
V
HT---D--N-----SV
I
G
--
Y
D
A
L
V
I
A
L
GAALNTDAVPGL
S
D
ALDADVAG
Q
F
Y
TLD
G
A
A
E
L
R
A
K
V
E
A
L--E-HG
R
I
A
V
-
A
IA------------------GVP-------------------FK--------------------CPAA
P
F
E
A
A
F
L
I
A
A
Q
LGDRYAT
G
T
-
V
Q
I
D
TF-TPDPLPMP---VAG
P
E
V
G
E
A
---
L
V
S
M
L
K
DHGVGF
H
P
R
K
A
L
A
R
V
D
E
A
A
R
TM--HFGDGTSE-------
P
F
D
L
L
A
VVPPH-----V
P
S
A
A
A
RS-AG---L-S---ESG
W
I
PVDPRTLS-T-SAD
N
V
W
A
IG
D
A
T
----
V
L
TLPNGK----PLP
K
A
A
V
F
A
E
A
Q
A
A
V
V
A
H
G
V
A
R
H
L
G
Y
D
V
A
E
RHF-TGT
G
A
C
Y
V
ETGD-HQAAKGDGDFFAPSAP
S
V
T
LYPP
S
R
E
F
H
E
E
K
V
A
Q
E
L
A
W
L
TRWKT
14
PsiBlast_PDB
91.34
26%
-91
- C2 -
3SYI
8
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
FP
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
A
-
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
13
PsiBlast_PDB
90.89
26%
-88
- C2 -
3SY4
8
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
F
P
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
A
-
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
16
PsiBlast_PDB
89.61
26%
-89
- C2 -
3T14
7
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
FP
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
A
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
KG---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
19
PsiBlast_PDB
89.56
26%
-90
- C2 -
3SX6
9
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
F
P
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
A
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
11
PsiBlast_PDB
89.23
26%
-94
- C2 -
3SZC
8
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
FP
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
17
PsiBlast_PDB
89.15
26%
-89
- C2 -
3T2K
4
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
F
P
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
A
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
18
PsiBlast_PDB
88.75
26%
-94
- C2 -
3KPK
5
SQRD_ACIF2
A:
[4-403]
----
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
FP
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
S
-------------------
A
F
--------------------
G
P
A
--
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
9
PsiBlast_PDB
88.40
26%
-91
- C2 -
3T31
6
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
FP
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
15
PsiBlast_PDB
88.10
26%
-89
- C2 -
3SXI
8
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
FP
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
A
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
KG---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
48
Fugue
88.04
24%
-113
- C2 -
3H8L
7
SQRD_ACIAM
A:
[2-357]
--
T
K
V
L
V
L
G
G
R
F
G
A
L
T
A
A
Y
T
L
K
R
L
V
G
S
K
A
D
V
K
V
I
N
K
S
R
F
S
Y
F
R
P
A
L
P
H
V
A
I
G
V
R
D
V
D
E
L
K
--
V
D
L
S
E
-
A
L
P
E
K
--
G
I
Q
F
Q
E
G
T
V
E
K
I
D
A
K
S
S
-
M
V
Y
Y
---
T
--
K
PDG
S
M
A
E
E
E
--
Y
D
Y
V
I
V
G
I
G
A
H
L
A
T
E
L
V
K
G
W
D
K
Y
G
Y
S
V
-----
C
E
P
E
F
A
T
K
L
R
E
K
L
E
S
F
--
Q
-
G
G
N
I
A
I
-
G
S
G
P
FYQGHNPKPKVPENF
V
P
N
A
D
-------------------
S
A
--------------------
C
E
G
P
V
F
E
M
S
L
M
L
H
G
Y
F
K
K
K
G
M
L
D
K
-
V
H
V
T
V
F
-
S
P
G
E
Y
-
L
S
---
D
L
S
P
N
S
R
K
A
---
V
A
S
I
Y
N
Q
L
G
I
K
L
V
H
N
F
K
I
K
E
I
R
E
--
H
E
I
--
V
D
E
K
G
N
T
I
-------
P
A
D
I
T
I
L
L
P
P
Y
-----
T
G
N
P
A
L
K
N
-
S
T
---
P
-
D
LVD
D
G
G
F
I
P
T
D
L
N
M
V
S
-
I
-
K
Y
D
N
V
Y
A
V
G
D
A
N
----
S
M
----------
T
V
P
K
L
G
Y
L
A
V
M
T
G
R
I
A
A
Q
H
L
A
N
R
L
G
V
P
T
K
V
D
K
Y
-
Y
P
T
I
V
C
----------------------
V
A
D
N
P
Y
E
----------------------
27
HHSearch
87.95
23%
-112
- C2 -
3H8L
7
SQRD_ACIAM
A:
[2-357]
--
T
K
V
L
V
L
G
G
R
F
G
A
L
T
A
A
Y
T
L
K
R
L
V
G
S
K
A
D
V
K
V
I
N
K
S
R
F
S
Y
F
R
P
A
L
P
H
V
A
I
G
V
R
D
V
D
E
L
K
--
V
D
L
S
E
A
L
-
P
E
K
--
G
I
Q
F
Q
E
G
T
V
E
K
I
D
A
K
S
S
-
M
V
Y
Y
---
T
K
P
D
G
S
M
--
A
E
E
E
--
Y
D
Y
V
I
V
G
I
G
A
H
L
A
T
E
L
V
K
G
W
D
K
Y
-
G
----
Y
S
V
C
E
P
E
F
A
T
K
L
R
E
K
L
E
S
F
--
Q
-
G
G
N
I
A
I
--
G
S
------------------
G
P
F
YQGHNPKPKVPENF
V
P
N
A
D
S
A
--------------------
C
E
G
P
V
F
E
M
S
L
M
L
H
G
Y
F
K
K
K
G
M
L
D
K
-
V
H
V
T
V
F
-
S
P
G
E
-
Y
L
S
---
D
L
S
P
N
S
R
K
A
---
V
A
S
I
Y
N
Q
L
G
I
K
L
V
H
N
F
K
I
K
E
I
R
E
--
H
E
I
--
V
D
E
K
G
N
T
I
-------
P
A
D
I
T
I
L
L
P
P
Y
-----
T
G
N
P
A
L
K
N
-
S
T
PD-
L
V
D
---
D
G
G
F
I
P
T
D
L
-
N
M
V
S
I
-
K
Y
D
N
V
Y
A
V
G
D
A
N
----
S
M
T
V
----------
P
K
L
G
Y
L
A
V
M
T
G
R
I
A
A
Q
H
L
A
N
R
L
G
V
P
T
K
V
D
K
Y
-
Y
P
T
I
V
C
V
A
D
N
P
Y
E--------------------------------------------
10
PsiBlast_PDB
87.87
26%
-88
- C2 -
3SZ0
5
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
FP
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
12
PsiBlast_PDB
87.80
26%
-88
- C2 -
3T0K
7
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
F
P
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
5
PsiBlast_PDB
87.78
26%
-89
- C2 -
3SZF
7
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
FP
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
A
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
7
PsiBlast_PDB
87.64
26%
-91
- C2 -
3SZW
8
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
F
P
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
S
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
4
PsiBlast_PDB
87.47
26%
-91
- C2 -
3T2Y
4
SQRD_ACIF2
A:
[4-403]
----
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
FP
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
C
T
V
D
A
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
8
PsiBlast_PDB
86.77
26%
-88
- C2 -
3T2Z
12
SQRD_ACIF2
A:
[4-406]
-
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
FP
I
R
-
H
Y
-
V
-
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
N
I
T
L
A
---
D
--
G
-----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
-
S
D
P
H
E
G
P
V
Q
-
S
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
L
R
E
-
P
G
P
I
V
I
G
A
M
A
------------------
G
A
---------------------
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
-
I
P
S
F
T
F
I
T
S
E
P
Y
I
G
H
---
L
G
I
Q
G
V
G
D
S
K
G
I
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
--
T
Q
V
D
E
K
G
E
TI
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
---
V
P
A
V
A
G
V
E
-
G
L
---
C
-
N
---
P
G
G
F
V
L
V
D
E
H
Q
R
S
-
K
-
K
Y
A
N
I
F
A
A
G
I
A
I
A
I
P
P
V
E
T
T
P
V
P
T
----
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
C
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
D
V
F
A
Y
--
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
1
PsiBlast_PDB
85.97
24%
-116
- C2 -
3H8I
7
SQRD_ACIAM
A:
[2-350]
-
T
K
-
V
L
V
L
G
G
R
F
G
A
L
T
A
A
Y
T
L
K
R
L
V
G
S
K
A
D
V
K
V
I
N
K
S
R
F
S
Y
F
R
P
A
L
P
H
V
A
I
G
V
R
D
V
D
E
L
K
--
V
D
L
S
E
-
A
--
L
P
E
K
G
I
Q
F
Q
E
G
T
V
E
K
I
D
A
K
S
S
-
M
V
Y
Y
T
K
P
D
--
G
-----
S
M
A
E
E
E
Y
D
Y
V
I
V
G
I
G
A
H
L
A
T
E
L
V
K
G
W
D
K
Y
G
Y
S
V
C
E
P
E
F
-----
A
T
K
L
R
E
K
L
E
S
F
--
Q
-
G
G
N
I
A
---
I
G
------------------
S
G
P
-------------------
F
Y
QGHNPKPKVPENF
V
P
N
A
DSA
C
E
G
P
V
F
E
M
S
L
M
L
H
G
Y
F
K
K
K
G
M
L
D
K
-
V
H
V
T
V
F
-
S
P
G
E
Y
-
L
S
---
D
L
S
P
N
S
R
K
A
---
V
A
S
I
Y
N
Q
L
G
I
K
L
V
H
N
F
K
I
K
E
I
R
E
H
E
I
V
D
--
E
--
K
G
N
T
I
-------
P
A
D
I
T
I
L
L
P
P
Y
-----
T
G
N
P
A
L
K
N
-
S
T
PDL
V
-
D
---
D
G
G
F
I
P
T
D
L
N
M
V
S
-
I
-
K
Y
D
N
V
Y
A
V
G
D
A
N
----
S
M
T
----------
V
P
K
L
G
Y
L
A
V
M
T
G
R
I
A
A
Q
H
L
A
N
R
L
G
V
P
T
K
V
D
K
Y
-
Y
P
T
I
V
C
---------------------------------------------------
24
HHSearch
85.89
23%
-90
- C2 -
3SX6
9
SQRD_ACIF2
A:
[3-406]
G
S
A
H
V
V
I
L
G
A
G
T
G
G
M
P
A
A
Y
E
M
K
E
A
L
G
S
G
H
E
V
T
L
I
S
A
N
D
Y
F
Q
F
V
P
S
N
P
W
V
G
V
G
W
K
E
R
D
D
I
A
--
F
P
I
R
H
-
Y
V
E
R
K
--
G
I
H
F
I
A
Q
S
A
E
Q
I
D
A
E
A
Q
-
N
I
T
L
---
A
--
D
G----
N
T
V
H
--
Y
D
Y
L
M
I
A
T
G
P
K
L
A
F
E
N
V
P
G
S
D
P
H
E
--
G
P
V
Q
S
I
C
T
V
D
H
A
E
R
A
F
A
E
Y
Q
A
L
--
L
R
E
P
G
P
I
V
-
I
G
A
------------------
M
A
G
-------------------
A
S
--------------------
C
F
G
P
A
Y
E
Y
A
M
I
V
A
S
D
L
K
K
R
G
M
R
D
K
I
P
S
F
T
F
I
-
T
S
E
P
Y
I
G
H
LGI
Q
G
V
G
D
S
K
G
I
---
L
T
K
G
L
K
E
E
G
I
E
A
Y
T
N
C
K
V
T
K
V
E
D
N
K
M
Y
V
T
Q
V
D
E
K
G
E
T
I
-------
K
E
M
V
L
P
V
K
F
G
M
M
I
P
A
F
K
G
V
P
A
V
A
G
V
E
G
---
L
C
N
---
P
G
G
F
V
L
V
D
E
-
H
Q
R
-
S
K
K
Y
A
N
I
F
A
A
G
I
A
I
----
A
I
P
P
V
E
T
T
PV
P
T
G
A
P
K
T
G
Y
M
I
E
S
M
V
S
A
A
V
H
N
I
K
A
D
L
E
G
R
K
G
E
Q
T
M
G
T
W
N
A
V
A
F
A
D
M
G
D
-
R
G
A
A
F
I
A
L
P
Q
L
K
P
R
K
V
--
D
V
F
A
Y
G
R
W
V
H
L
A
K
V
A
F
E
K
Y
F
I
R
K
M
K
-
2
PsiBlast_PDB
85.44
24%
-114
- C2 -
3H8L
7
SQRD_ACIAM
A:
[2-350]
-
T
K
-
V
L
V
L
G
G
R
F
G
A
L
T
A
A
Y
T
L
K
R
L
V
G
S
K
A
D
V
K
V
I
N
K
S
R
F
S
Y
F
R
P
A
L
P
H
V
A
I
G
V
R
D
V
D
E
L
K
--
V
D
L
S
E
-
A
--
L
P
E
K
G
I
Q
F
Q
E
G
T
V
E
K
I
D
A
K
S
S
-
M
V
Y
Y
T
K
P
D
--
G
-----
S
M
A
E
E
E
Y
D
Y
V
I
V
G
I
G
A
H
L
A
T
E
L
V
K
G
W
D
K
Y
G
Y
S
V
C
E
P
E
F
-----
A
T
K
L
R
E
K
L
E
S
F
--
Q
-
G
G
N
I
A
---
I
G
------------------
S
G
P
-------------------
F
Y
QGHNPKPKVPENF
V
P
N
A
DSA
C
E
G
P
V
F
E
M
S
L
M
L
H
G
Y
F
K
K
K
G
M
L
D
K
-
V
H
V
T
V
F
-
S
P
G
E
Y
-
L
S
---
D
L
S
P
N
S
R
K
A
---
V
A
S
I
Y
N
Q
L
G
I
K
L
V
H
N
F
K
I
K
E
I
R
E
H
E
I
V
D
--
E
--
K
G
N
T
I
-------
P
A
D
I
T
I
L
L
P
P
Y
-----
T
G
N
P
A
L
K
N
-
S
T
PDL
V
-
D
---
D
G
G
F
I
P
T
D
L
N
M
V
S
-
I
-
K
Y
D
N
V
Y
A
V
G
D
A
N
----
S
M
T
----------
V
P
K
L
G
Y
L
A
V
M
T
G
R
I
A
A
Q
H
L
A
N
R
L
G
V
P
T
K
V
D
K
Y
-
Y
P
T
I
V
C
---------------------------------------------------