@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 : Rv0230c: (2016-04-20 )
MPELNTARGPIDTADLGVTLMHEHVFIMTTEIAQNYPEAWGDEDKRVAGAIARLGELKARGVDTIVDLTVIGLGRYIPRIARVAAATELNIVVATGLYTYNDVPFYFHYLGPGAQLDGPEIMTDMFVRDIEHGIADTGIKAGILKCATDEPGLTPGVERVLRAVAQAHKRTGAPISTHTHAGLRRGLDQQRIFAEEGVDLSRVVIGHCGDSTDVGYLEELIAAGSYLGMDRFGVDVISPFQDRVNIVARMCERGHADKMVLSHDACCYFDALPEELVPVAMPNWHYLHIHNDVIPALKQHGVTDEQLHTMLVDNPRRIFERQGGYQ
Atome Classification :
(21 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....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MPELNTARGPI
D
T
A
D
L
G
V
T
L
M
HE
H
V
F
I
M
T
T
E
I
A
QNY
P
E
AWGD-------E
D
K
R
V
A
G
A
I
A
R
L
G
E
L
KARGV
D
T
I
V
D
L
T
V
I
G
L
G
R
Y
I
P
R
I
A
R
V
AA
A
T
E
L
N
I
V
V
A
TGLYTYND-V
P
F
Y
F
H
Y--LGPGAQLD
G
P
E
I
M
T
D
M
F
V
R
D
I
E
H
G
I
A
DT
G
I
KAG
I
L
-
K
CATDEPGL
T
P
G
V
E
R
V
L
R
A
V
A
Q
A
HKRTGAPIST
H
T
H
A
G
L
R
RG
L
D
Q
Q
R
I
F
A
E
EGV
D
L
S
R
V
V
IGHCGDST
D
V
G
Y
L
E
E
L
I
AAGSYLG
M
D
R
F--------------G
V
D
--V--------------I
S
--------------
P
F
-
Q
D
R
V
N
I
V
A
R
M
C
ERGHAD
K
M
V
LSHDA
C
C
Y
F
D
A
L
P
E
EL-V-PV---A---MP--
N
W
H
Y
L
H
I
HN
D
V
I
P
A
L
K
QHGV
T
D
E
Q
L
H
T
M
LVD
N
P
R
R
I
F
E
RQGGYQ
14
PsiBlast_PDB
95.24
34%
-116
- C3 -
4XAF
4
?
A:
[4-327]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
L
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
L
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
--
V
A
T
T
G
K
-
V
T
P
F
Q
E
L
V
L
R
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
G
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
R
I
PHSAIGLEDNAS
A
S
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
M
D
S
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
I
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
18
PsiBlast_PDB
95.08
34%
-117
- C3 -
4PCP
3
?
A:
[5-327]
---
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
L
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
L
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
--
V
A
T
T
G
K
-
V
T
P
F
Q
E
L
V
L
R
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
G
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDNAS
A
S
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
M
D
S
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
I
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
10
PsiBlast_PDB
94.83
34%
-111
- C3 -
1I0B
12
OPD_BREDI
A:
[3-326]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDN
A
S
A
S
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
M
D
R
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
11
PsiBlast_PDB
94.62
34%
-110
- C3 -
1I0D
13
OPD_BREDI
A:
[3-326]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDN
A
S
A
S
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
M
D
R
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
7
PsiBlast_PDB
94.57
34%
-112
- C3 -
1PSC
4
OPD_BREDI
A:
[36-359]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDN
A
S
A
S
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
M
D
R
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
2
PsiBlast_PDB
94.40
34%
-113
- C3 -
2D2H
4
?
A:
[5-327]
---
I
N
T
V
R
G
P
I
P
V
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
H
A
R
A
A
G
V
Q
T
I
V
D
V
S
T
F
D
I
G
R
D
V
R
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
M
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
H
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
S
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
G
L
A
A
R
G
Y
L
V
G
L
D
R
M
--------------
P
Y
S
--
A
--------------
I
G
LEGN
A
S
A
L
A
L
F
GTR
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
R
G
Y
K
D
R
I
L
V
S
H
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
---
M
D
R
I
N
P
--
D
-
G
M
A
F
V
P
L
R
V
I
P
F
L
R
E
K
G
V
P
P
E
T
L
A
G
V
T
V
A
N
P
A
R
F
L
S
------
16
PsiBlast_PDB
94.25
34%
-117
- C3 -
4XD5
5
?
A:
[5-327]
---
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
L
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
L
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
--
V
A
T
T
G
K
-
V
T
P
F
Q
E
L
V
L
R
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
G
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
E
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
R
I
PHSAIGLEDNAS
A
S
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
M
D
S
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
I
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
23
PsiBlast_CBE
94.20
34%
-111
- C3 -
1I0D
13
OPD_BREDI
B:
[3-326]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDN
A
S
A
S
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
M
D
R
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
25
PsiBlast_CBE
94.10
34%
-111
- C3 -
1HZY
18
OPD_BREDI
B:
[3-326]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDNASAS
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
MDR
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
21
PsiBlast_CBE
94.09
34%
-111
- C3 -
1PSC
4
OPD_BREDI
B:
[36-359]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDNASAS
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
MDR
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
9
PsiBlast_PDB
94.09
34%
-109
- C3 -
1HZY
12
OPD_BREDI
A:
[3-326]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDN
A
S
A
S
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
M
D
R
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
51
Fugue
94.08
35%
-112
- C3 -
1PSC
4
OPD_BREDI
A:
[35-363]
-
D
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
R
L
---------
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
K
-
V
A
T
T
-
G
K
A
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
--------------
P
H
S
--
A
IGLEDN
A
S
A
S
A
L
LG
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
---
M
---
D
R
V
N
P
D
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
P
T
L
R
--
3
PsiBlast_PDB
94.00
34%
-113
- C3 -
2D2J
5
?
A:
[5-327]
---
I
N
T
V
R
G
P
I
P
V
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
H
A
R
A
A
G
V
Q
T
I
V
D
V
S
T
F
D
I
G
R
D
V
R
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
M
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
H
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
S
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
G
L
A
A
R
G
Y
L
V
G
L
D
R
M
--------------
P
Y
S
--
A
--------------
I
G
LEGN
A
S
A
L
A
L
FGTR
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
R
G
Y
K
D
R
I
L
V
S
H
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
---
M
D
R
I
N
P
--
D
-
G
M
A
F
V
P
L
R
V
I
P
F
L
R
E
K
G
V
P
P
E
T
L
A
G
V
T
V
A
N
P
A
R
F
L
S
------
22
PsiBlast_CBE
93.88
34%
-110
- C3 -
1DPM
6
OPD_BREDI
B:
[2-325]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDNASAS
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
MDR
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
24
PsiBlast_CBE
93.75
34%
-109
- C3 -
1I0B
18
OPD_BREDI
B:
[3-326]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDN
A
S
A
S
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
M
D
R
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
8
PsiBlast_PDB
93.73
34%
-109
- C3 -
1DPM
6
OPD_BREDI
A:
[2-325]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
I
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
H
I
PHSAIGLEDN
A
S
A
S
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
M
D
R
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
V
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
1
PsiBlast_PDB
93.70
34%
-113
- C3 -
2D2G
4
?
A:
[5-327]
---
I
N
T
V
R
G
P
I
P
V
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
H
A
R
A
A
G
V
Q
T
I
V
D
V
S
T
F
D
I
G
R
D
V
R
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
F
--
D
-
P
P
L
S
M
---------
R
M
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
H
G
I
E
D
T
G
I
R
A
G
I
I
-
K
V
A
T
T
G
K
A
-
T
P
F
Q
E
L
V
L
K
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
S
A
S
Q
R
D
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
G
L
A
A
R
G
Y
L
V
G
L
D
R
M
--------------
P
Y
S
--
A
--------------
I
G
LEGN
A
S
A
L
A
L
FGTR
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
R
G
Y
K
D
R
I
L
V
S
H
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
---
M
D
R
I
N
P
--
D
-
G
M
A
F
V
P
L
R
V
I
P
F
L
R
E
K
G
V
P
P
E
T
L
A
G
V
T
V
A
N
P
A
R
F
L
S
------
30
PsiBlast_CBE
92.01
34%
-110
- C3 -
4XAF
4
?
G:
[4-327]
--
R
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
L
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
L
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
V
A
T
T
G
K
--
V
T
P
F
Q
E
L
V
L
R
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
G
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
D
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
R
I
PHSAIGLEDNASAS
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
MDS
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
I
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
32
PsiBlast_CBE
91.65
33%
-111
- C3 -
4XD5
5
?
G:
[5-327]
---
I
N
T
V
R
G
P
I
T
I
S
E
A
G
F
T
L
T
H
E
H
I
C
G
S
S
A
G
F
L
R
A
W
P
E
F
F
G
S
-------
R
K
A
L
A
E
K
A
V
R
G
L
R
R
A
R
A
A
G
V
R
T
I
V
D
V
S
T
F
D
L
G
R
D
V
S
L
L
A
E
V
S
R
A
A
D
V
H
I
V
A
A
T
G
L
W
L
--
D
-
P
P
L
S
M
---------
R
L
R
S
V
E
E
L
T
Q
F
F
L
R
E
I
Q
Y
G
I
E
D
T
G
I
R
A
G
I
I
-
V
A
T
T
G
K
--
V
T
P
F
Q
E
L
V
L
R
A
A
A
R
A
S
L
A
T
G
V
P
V
T
T
H
T
A
A
S
Q
R
G
G
E
Q
Q
A
A
I
F
E
S
E
G
L
S
P
S
R
V
C
I
G
H
S
D
E
T
D
D
L
S
Y
L
T
A
L
A
A
R
G
Y
L
I
G
L
D
R
I
PHSAIGLEDNASAS
A
L
L
--
G
--------------
I
R
--------------
S
W
-
Q
T
R
A
L
L
I
K
A
L
I
D
Q
G
Y
M
K
Q
I
L
V
S
N
D
W
L
F
G
F
S
S
Y
V
T
N
I
-
M
-
D
V
MDS
V
---
N
P
--
D
-
G
M
A
F
I
P
L
R
V
I
P
F
L
R
E
K
G
I
P
Q
E
T
L
A
G
I
T
V
T
N
P
A
R
F
L
S
------
29
PsiBlast_CBE
91.28
36%
-114
- C3 -
4WVX
3
?
B:
[5-324]
---
V
E
T
V
C
G
P
V
P
V
E
Q
L
G
K
T
L
I
H
E
H
F
L
F
-------
G
Y
P
G
F
Q
G
D
VTRGTFR
E
D
E
S
L
R
V
A
V
E
A
A
E
K
M
K
R
H
G
I
Q
T
V
V
D
P
T
P
N
D
C
G
R
N
P
A
F
L
R
R
V
A
E
E
T
G
L
N
I
I
C
A
T
G
Y
Y
Y
E
G
E
G
A
P
P
Y
F
Q
F
RR
L
L
G
T
A
E
D
D
----
I
Y
D
M
F
M
A
E
L
T
E
G
I
A
D
T
G
I
K
A
G
V
I
--
L
A
S
S
K
G
R
I
T
E
Y
E
K
M
F
F
R
A
A
A
R
A
Q
K
E
T
G
A
V
I
I
T
H
T
Q
E
G
T
M
-
G
P
E
Q
A
A
Y
L
L
E
H
G
A
D
P
K
K
I
V
I
G
H
M
C
G
N
T
D
P
D
Y
H
R
K
T
L
A
Y
G
V
Y
I
A
F
D
R
F
--------------
G
I
Q
GM
V
--------------
G
A
--------------
P
T
D
E
E
R
V
R
T
L
L
A
L
L
R
D
G
Y
E
K
Q
I
M
L
S
H
D
T
V
N
V
W
L
G
R
P
F
T
L
-
P
E
P
F
---
A
EM-
M
K
--
N
W
H
V
E
H
L
F
V
N
I
I
P
A
L
K
N
E
G
I
R
D
E
V
L
E
Q
M
F
I
G
N
P
A
A
L
F
-------
5
PsiBlast_PDB
91.08
36%
-111
- C3 -
4WVX
3
?
A:
[5-324]
---
V
E
T
V
C
G
P
V
P
V
E
Q
L
G
K
T
L
I
H
E
H
F
L
F
-------
G
Y
P
G
F
Q
G
D
VTRGTFR
E
D
E
S
L
R
V
A
V
E
A
A
E
K
M
K
R
H
G
I
Q
T
V
V
D
P
T
P
N
D
C
G
R
N
P
A
F
L
R
R
V
A
E
E
T
G
L
N
I
I
C
A
T
G
Y
Y
Y
E
G
E
G
A
P
P
Y
F
Q
F
R
R
L
L
G
T
A
E
D
D
----
I
Y
D
M
F
M
A
E
L
T
E
G
I
A
D
T
G
I
K
A
G
V
I
--
L
A
S
S
K
G
R
I
T
E
Y
E
K
M
F
F
R
A
A
A
R
A
Q
K
E
T
G
A
V
I
I
T
H
T
Q
E
G
T
-
M
G
P
E
Q
A
A
Y
L
L
E
H
G
A
D
P
K
K
I
V
I
G
H
M
C
G
N
T
D
P
D
Y
H
R
K
T
L
A
Y
G
V
Y
I
A
F
D
R
F
--------------
G
I
Q
GM
V
--------------
G
A
--------------
P
T
D
E
E
R
V
R
T
L
L
A
L
L
R
D
G
Y
E
K
Q
I
M
L
S
H
D
T
V
N
V
W
L
G
R
P
F
T
L
P
E
-
P
F
---
A
E
M
-
M
K
--
N
W
H
V
E
H
L
F
V
N
I
I
P
A
L
K
N
E
G
I
R
D
E
V
L
E
Q
M
F
I
G
N
P
A
A
L
F
-------