@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 : Rv1170: (2016-04-29 )
MSETPRLLFVHAHPDDESLSNGATIAHYTSRGAQVHVVTCTLGEEGEVIGDRWAQLTADHADQLGGYRIGELTAALRALGVSAPIYLGGAGRWRDSGMAGTDQRSQRRFVDADPRQTVGALVAIIRELRPHVVVTYDPNGGYGHPDHVHTHTVTTAAVAAAGVGSGTADHPGDPWTVPKFYWTVLGLSALISGARALVPDDLRPEWVLPRADEIAFGYSDDGIDAVVEADEQARAAKVAALAAHATQVVVGPTGRAAALSNNLALPILADEHYVLAGGSAGARDERGWETDLLAGLGFTASGT
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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-MSET
P
----
R
L
L
F
V
HAHPDDESLSNG
A
T
I
A
H
YTSRG
A
Q
V
H
V
V
T
C
TLGEEG
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
LG
G
Y
R
I
G
E
L
T
A
A
L
R
A
LGVSA
P
--------
I
Y
LGGAGRWRDSGMAG----T
D
Q
R
SQRRFVDAD
P
R
Q
T
V
G
A
L
V
A
I
I
R
ELRP
H
V
V
V
T
YDPN-----GGY-GH-----PDH
V
H
T
H
T
V
T
T
A
A
V
A
AAGVGSGTADHPGDPWT
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
SG
A
R
ALVPDDLRPEWVLPRAD
E
I
A
FGYSDD
G
I
D
A
V
VEA
D
E
Q
-
A
-
R
A
A
K
V
A
A
L
AAH
A
T
Q
-
V
-
V
VGPTG
R
A
A
ALSNNL
A
L
P
I
LADE
H
Y
V
LAGGSAGARDERGWE
T
D
L
L
AGLGFTASGT
19
PsiBlast_CBE
98.48
100%
-94
- C2 -
1Q7T
3
MSHB_MYCTU
B:
[28-324]
---
E
T
P
----
R
L
L
F
V
H
A
H
P
D
D
E
S
L
S
N
G
A
T
I
A
H
Y
T
S
R
G
A
Q
V
H
V
V
T
C
T
L
G
E
E
G
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
L
G
G
Y
R
I
G
E
L
T
A
A
L
R
A
L
G
V
S
A
P
--------
I
Y
L
G
G
A
G
R
W
R
D
S
G
M
A
G
----
T
D
Q
R
S
Q
R
R
F
V
D
A
D
P
R
Q
T
V
G
A
L
V
A
I
I
R
E
L
R
P
H
V
V
V
T
Y
D
P
N
-----
G
G
Y
-
G
H
-----
P
D
H
V
H
T
H
T
V
T
T
A
A
V
A
A
A
G
V
G
------
P
G
D
P
W
T
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
S
G
A
R
A
L
V
P
D
D
L
R
P
E
W
V
L
P
R
A
D
E
I
A
F
G
Y
S
D
D
G
I
D
A
V
V
E
A
D
E
Q
-
A
-
R
A
A
K
V
A
A
L
A
A
H
A
T
Q
-
V
-
V
V
G
P
T
G
R
A
A
A
L
S
N
N
L
A
L
P
I
L
A
D
E
H
Y
V
L
A
G
G
S
A
G
A
R
D
E
R
G
W
E
T
D
L
L
A
G
L
G
F
T
----
2
PsiBlast_PDB
98.00
100%
-94
- C2 -
1Q7T
3
MSHB_MYCTU
A:
[26-328]
-
M
S
E
T
P
----
R
L
L
F
V
H
A
H
P
D
D
E
S
L
S
N
G
A
T
I
A
H
Y
T
S
R
G
A
Q
V
H
V
V
T
C
T
L
G
E
E
G
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
L
G
G
Y
R
I
G
E
L
T
A
A
L
R
A
L
G
V
S
A
P
--------
I
Y
L
G
G
A
G
R
W
R
D
S
G
M
A
G
----
T
D
Q
R
S
Q
R
R
F
V
D
A
D
P
R
Q
T
V
G
A
L
V
A
I
I
R
E
L
R
P
H
V
V
V
T
Y
D
P
N
-----
G
G
Y
-
G
H
-----
P
D
H
V
H
T
H
T
V
T
T
A
A
V
A
A
A
G
V
G
------
P
G
D
P
W
T
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
S
G
A
R
A
L
V
P
D
D
L
R
P
E
W
V
L
P
R
A
D
E
I
A
F
G
Y
S
D
D
G
I
D
A
V
V
E
A
D
E
Q
-
A
-
R
A
A
K
V
A
A
L
A
A
H
A
T
Q
-
V
-
V
V
G
P
T
G
R
A
A
A
L
S
N
N
L
A
L
P
I
L
A
D
E
H
Y
V
L
A
G
G
S
A
G
A
R
D
E
R
G
W
E
T
D
L
L
A
G
L
G
F
T
A
S
G
T
3
PsiBlast_PDB
97.64
100%
-93
- C2 -
4EWL
8
MSHB_MYCTU
A:
[1-299]
-
M
S
E
T
P
----
R
L
L
F
V
H
A
H
P
D
D
E
S
L
S
N
G
A
T
I
A
H
Y
T
S
R
G
A
Q
V
H
V
V
T
C
T
L
G
E
E
G
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
L
G
G
Y
R
I
G
E
L
T
A
A
L
R
A
L
G
V
S
A
P
--------
I
Y
L
G
G
A
G
R
W
R
D
S
G
M
A
G
----
T
D
Q
R
S
Q
R
R
F
V
D
A
D
P
R
Q
T
V
G
A
L
V
A
I
I
R
E
L
R
P
H
V
V
V
T
Y
D
P
N
-----
G
G
Y
-
G
H
-----
P
D
H
V
H
T
H
T
V
T
T
A
A
V
A
A
A
G
V
G
S
G
T
A
D
H
P
G
D
P
W
T
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
S
G
A
R
A
L
V
P
D
D
L
R
P
E
W
V
L
P
R
A
D
E
I
A
F
G
Y
S
D
D
G
I
D
A
V
V
E
A
D
E
Q
-
A
-
R
A
A
K
V
A
A
L
A
A
H
A
T
Q
-
V
-
V
V
G
P
T
G
R
A
A
A
L
S
N
N
L
A
L
P
I
L
A
D
E
H
Y
V
L
A
G
G
S
A
G
A
R
D
E
R
G
W
E
T
D
L
L
A
G
L
G
F
T
----
20
PsiBlast_CBE
96.58
100%
-92
- C2 -
4EWL
9
MSHB_MYCTU
B:
[1-298]
-
M
S
E
T
P
----
R
L
L
F
V
H
A
H
P
D
D
E
S
L
S
N
G
A
T
I
A
H
Y
T
S
R
G
A
Q
V
H
V
V
T
C
T
L
G
E
E
G
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
L
G
G
Y
R
I
G
E
L
T
A
A
L
R
A
L
G
V
S
A
P
--------
I
Y
L
G
G
A
G
R
W
R
D
S
G
M
A
G
----
T
D
Q
R
S
Q
R
R
F
V
D
A
D
P
R
Q
T
V
G
A
L
V
A
I
I
R
E
L
R
P
H
V
V
V
T
Y
D
P
N
-----
G
G
Y
-
G
H
-----
P
D
H
V
H
T
H
T
V
T
T
A
A
V
A
A
A
G
V
G
--------
D
P
W
T
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
S
G
A
R
A
L
V
P
D
D
L
R
P
E
W
V
L
P
R
A
D
E
I
A
F
G
Y
S
D
D
G
I
D
A
V
V
E
A
D
E
Q
-
A
-
R
A
A
K
V
A
A
L
A
A
H
A
T
Q
-
V
-
V
V
G
P
T
G
R
A
A
A
L
S
N
N
L
A
L
P
I
L
A
D
E
H
Y
V
L
A
G
G
S
A
G
A
R
D
E
R
G
W
E
T
D
L
L
A
G
L
G
F
-----
1
PsiBlast_PDB
96.37
100%
-92
- C2 -
1Q74
2
MSHB_MYCTU
A:
[3-299]
---
E
T
P
----
R
L
L
F
V
H
A
H
P
D
D
E
S
L
S
N
G
A
T
I
A
H
Y
T
S
R
G
A
Q
V
H
V
V
T
C
T
L
G
E
E
G
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
L
G
G
Y
R
I
G
E
L
T
A
A
L
R
A
L
G
V
S
A
P
--------
I
Y
L
G
G
A
G
R
W
R
D
S
G
M
A
--------
R
S
Q
R
R
F
V
D
A
D
P
R
Q
T
V
G
A
L
V
A
I
I
R
E
L
R
P
H
V
V
V
T
Y
D
P
N
-----
G
G
Y
-
G
H
-----
P
D
H
V
H
T
H
T
V
T
T
A
A
V
A
A
A
G
V
------
H
P
G
D
P
W
T
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
S
G
A
R
A
L
V
P
D
D
L
R
P
E
W
V
L
P
R
A
D
E
I
A
F
G
Y
S
D
D
G
I
D
A
V
V
E
A
D
E
Q
-
A
-
R
A
A
K
V
A
A
L
A
A
H
A
T
Q
-
V
-
V
V
G
P
T
G
R
A
A
A
L
S
N
N
L
A
L
P
I
L
A
D
E
H
Y
V
L
A
G
G
S
A
G
A
R
D
E
R
G
W
E
T
D
L
L
A
G
L
G
F
T
----
38
Fugue
96.22
99%
-92
- C2 -
1Q74
2
MSHB_MYCTU
A:
[3-299]
---
E
T
P
----
R
L
L
F
V
H
A
H
P
D
D
E
S
L
S
N
G
A
T
I
A
H
Y
T
S
R
G
A
Q
V
H
V
V
T
C
T
L
G
E
E
G
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
L
G
G
Y
R
I
G
E
L
T
A
A
L
R
A
L
G
V
S
A
P
--------
I
Y
L
G
G
A
G
R
W
R
D
S
G
M
A
--------
R
S
Q
R
R
F
V
D
A
D
P
R
Q
T
V
G
A
L
V
A
I
I
R
E
L
R
P
H
V
V
V
T
Y
D
P
N
-----
G
G
Y
-
G
H
-----
P
D
H
V
H
T
H
T
V
T
T
A
A
V
A
A
A
G
------
V
H
P
G
D
P
W
T
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
S
G
A
R
A
L
V
P
D
D
L
R
P
E
W
V
L
P
R
A
D
E
I
A
F
G
Y
S
D
D
G
I
D
A
V
V
E
A
D
E
Q
-
A
-
R
A
A
K
V
A
A
L
A
A
H
A
T
Q
-
V
-
V
V
G
P
T
G
R
A
A
A
L
S
N
N
L
A
L
P
I
L
A
D
E
H
Y
V
L
A
G
G
S
A
G
A
R
D
E
R
G
W
E
T
D
L
L
A
G
L
G
F
T
----
22
HHSearch
96.01
99%
-93
- C2 -
1Q74
2
MSHB_MYCTU
A:
[3-299]
---
E
T
P
----
R
L
L
F
V
H
A
H
P
D
D
E
S
L
S
N
G
A
T
I
A
H
Y
T
S
R
G
A
Q
V
H
V
V
T
C
T
L
G
E
E
G
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
L
G
G
Y
R
I
G
E
L
T
A
A
L
R
A
L
G
V
S
A
P
--------
I
Y
L
G
G
A
G
R
W
R
D
S
G
M
A
--------
R
S
Q
R
R
F
V
D
A
D
P
R
Q
T
V
G
A
L
V
A
I
I
R
E
L
R
P
H
V
V
V
T
Y
D
P
N
-----
G
G
Y
-
G
H
-----
P
D
H
V
H
T
H
T
V
T
T
A
A
V
A
A
A
G
V
------
H
P
G
D
P
W
T
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
S
G
A
R
A
L
V
P
D
D
L
R
P
E
W
V
L
P
R
A
D
E
I
A
F
G
Y
S
D
D
G
I
D
A
V
V
E
A
-
D
E
Q
A
-
R
A
A
K
V
A
A
L
A
A
H
A
T
Q
-
V
-
V
V
G
P
T
G
R
A
A
A
L
S
N
N
L
A
L
P
I
L
A
D
E
H
Y
V
L
A
G
G
S
A
G
A
R
D
E
R
G
W
E
T
D
L
L
A
G
L
G
F
T
----
17
PsiBlast_CBE
94.58
100%
-93
- C2 -
1Q74
1
MSHB_MYCTU
C:
[2-298]
--
S
E
T
P
----
R
L
L
F
V
H
A
H
P
D
D
E
S
L
S
N
G
A
T
I
A
H
Y
T
S
R
G
A
Q
V
H
V
V
T
C
T
L
G
E
E
G
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
L
G
G
Y
R
I
G
E
L
T
A
A
L
R
A
L
G
V
S
A
P
--------
I
Y
L
G
G
A
G
R
W
R
D
S
-----------
R
S
Q
R
R
F
V
D
A
D
P
R
Q
T
V
G
A
L
V
A
I
I
R
E
L
R
P
H
V
V
V
T
Y
D
P
N
-----
G
G
Y
-
G
H
-----
P
D
H
V
H
T
H
T
V
T
T
A
A
V
A
A
A
G
-----
A
D
H
P
G
D
P
W
T
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
S
G
A
R
A
L
V
P
D
D
L
R
P
E
W
V
L
P
R
------
G
Y
S
D
D
G
I
D
A
V
V
E
A
D
E
Q
-
A
-
R
A
A
K
V
A
A
L
A
A
H
A
T
Q
-
V
-
V
V
G
P
T
G
R
A
A
A
L
S
N
N
L
A
L
P
I
L
A
D
E
H
Y
V
L
A
G
G
S
A
G
A
R
D
E
R
G
W
E
T
D
L
L
A
G
L
G
F
-----
16
PsiBlast_CBE
93.32
100%
-87
- C2 -
1Q74
1
MSHB_MYCTU
D:
[2-298]
--
S
E
T
P
----
R
L
L
F
V
H
A
H
P
D
D
E
S
L
S
N
G
A
T
I
A
H
Y
T
S
R
G
A
Q
V
H
V
V
T
C
T
L
G
E
E
G
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
L
G
G
Y
R
I
G
E
L
T
A
A
L
R
A
L
G
V
S
A
P
--------
I
Y
L
G
G
A
G
R
W
R
D
S
G
M
A
-------
Q
R
S
Q
R
R
F
V
D
A
D
P
R
Q
T
V
G
A
L
V
A
I
I
R
E
L
R
P
H
V
V
V
T
Y
D
P
N
-----
G
G
Y
-
G
H
-----
P
D
H
V
H
T
H
T
V
T
T
A
A
V
A
A
A
G
V
----
A
D
H
P
G
D
P
W
T
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
S
G
A
R
A
L
V
P
D
D
L
R
P
------------
G
Y
S
D
D
G
I
D
A
V
V
E
A
D
E
Q
-
A
-
R
A
A
K
V
A
A
L
A
A
H
A
T
Q
-
V
-
V
V
G
P
T
G
R
A
A
A
L
S
N
N
L
A
L
P
I
L
A
D
E
H
Y
V
L
A
G
G
S
A
G
A
R
D
E
R
G
W
E
T
D
L
L
A
G
L
G
F
-----
18
PsiBlast_CBE
92.55
100%
-92
- C2 -
1Q74
2
MSHB_MYCTU
B:
[2-298]
--
S
E
T
P
----
R
L
L
F
V
H
A
H
P
D
D
E
S
L
S
N
G
A
T
I
A
H
Y
T
S
R
G
A
Q
V
H
V
V
T
C
T
L
G
E
E
G
E
V
I
G
D
R
W
A
Q
-
L
---
T
A
D
H
A
---
D
Q
L
G
G
Y
R
I
G
E
L
T
A
A
L
R
A
L
G
V
S
A
P
--------
I
Y
L
G
G
A
G
R
W
R
D
S
-----------
R
S
Q
R
R
F
V
D
A
D
P
R
Q
T
V
G
A
L
V
A
I
I
R
E
L
R
P
H
V
V
V
T
Y
D
P
N
-----
G
G
Y
-
G
H
-----
P
D
H
V
H
T
H
T
V
T
T
A
A
V
A
A
A
G
V
----
A
D
H
P
G
D
P
W
T
V
P
K
F
Y
W
T
V
L
G
L
S
A
L
I
S
G
A
R
A
L
V
P
D
D
L
R
P
E
W
---------
F
G
Y
S
D
D
G
I
D
A
V
V
E
A
D
E
Q
-
A
-
R
A
A
K
V
A
A
L
A
A
H
A
T
Q
-
V
-
V
V
G
P
T
G
R
A
A
A
L
S
N
N
L
A
L
P
I
L
A
D
E
H
Y
V
L
A
G
G
S
A
G
A
R
D
E
R
G
W
E
T
D
L
L
A
G
L
G
F
-----
42
Fugue
60.07
27%
-78
- C2 -
5BMO
2
?
A:
[7-246]
T
L
L
E
L
P
DDFS
R
V
L
A
I
V
A
H
P
D
D
I
E
F
G
A
G
P
A
V
A
Q
W
T
A
Q
G
R
E
V
A
Y
L
L
V
T
R
G
E
A
G
----------
I
---
S
D
L
E
P
---
A
Q
C
G
P
V
R
E
A
E
Q
R
K
A
A
A
E
L
G
V
H
E
V
--------
D
F
L
D
H
---
Y
N
D
G
T
I
E
-----------------
Y
G
P
G
L
R
R
D
L
A
R
A
V
R
R
H
R
P
E
L
I
V
T
F
N
H
H
-----
D
T
W
-
A
S
GAWNT
P
D
H
R
A
V
G
L
A
A
L
D
A
V
A
D
A
A
----------
N
R
W
I
F
P
-----------------
E
L
L
D
E
G
L
E
P
-
W
---
R
A
G
K
V
A
I
A
G
S
P
H
-
A
T
H
A
V
A
V
D
D
D
-
S
-
R
D
R
A
V
R
S
L
A
A
H
D
R
Y
-
L
-
G
S
L
S
D
D
P
P
Q
E
R
A
R
F
I
L
G
H
L
L
A
A
T
A
P
R
F
G
G
R
D
G
---------------
V
A
F
Q
I
V
G
-
27
HHSearch
57.83
27%
-82
- C2 -
5BMO
2
?
A:
[14-210]
---
D
F
S
----
R
V
L
A
I
V
A
H
P
D
D
I
E
F
G
A
G
P
A
V
A
Q
W
T
A
Q
G
R
E
V
A
Y
L
L
V
T
R
G
E
A
G
I
S
D
L
-------------
E
P
---
A
Q
C
G
P
V
R
E
A
E
Q
R
K
A
A
A
E
L
G
V
H
E
V
--------
D
F
L
D
H
---
Y
N
D
G
T
I
E
Y
-----------------
G
P
G
L
R
R
D
L
A
R
A
V
R
R
H
R
P
E
L
I
V
T
F
N
H
H
DTWAS
G
A
W
-
N
T
-----
P
D
H
R
A
V
G
L
A
A
L
D
A
V
A
D
A
A
N
---------------
R
W
I
F
P
E
L
L
D
E
G
L
-------------
E
P
W
R
A
G
K
---
V
A
-
I
A
G
S
P
H
A
T
H
A
V
A
V
D
D
D
-
S
-
R
D
R
A
V
R
S
L
A
A
H
D
R
Y
-
L
-
G
S
L
----------------------------------------------------
24
HHSearch
57.62
24%
-78
- C2 -
2IXD
2
BSHB1_BACCR
A:
[2-181]
---
S
G
L
----
H
I
L
A
F
G
A
H
A
D
D
V
E
I
G
M
A
G
T
I
A
K
Y
T
K
Q
G
Y
E
V
G
I
C
D
L
T
E
A
D
L
S
S
N
---------------------
G
T
I
E
L
R
K
E
E
A
K
V
A
A
R
I
M
G
V
K
T
R
--------
L
N
L
A
----
M
P
D
R
G
L
Y
M
-----------------
K
E
E
Y
I
R
E
I
V
K
V
I
R
T
Y
K
P
K
L
V
F
A
P
Y
Y
E
-------
D
-
R
H
-----
P
D
H
A
N
C
A
K
L
V
E
E
A
I
F
S
A
G
I
R
K
Y
M
P
E
--
L
S
P
H
R
V
E
S
F
Y
N
Y
M
--------------------
I
N
------------
G
F
H
K
P
N
F
C
I
D
I
-
S
E
-
Y
-
L
S
I
K
V
E
A
L
E
A
Y
E
S
Q
-
F
-
S
T
-----------------------------------------------------
40
Fugue
57.20
28%
-63
- C2 -
1UAN
-
?
A:
[1-227]
----
M
L
----
D
L
L
V
V
A
P
H
P
D
D
G
E
L
G
C
G
G
T
L
A
R
A
K
A
E
G
L
S
T
G
I
L
D
L
T
R
G
E
M
G
S
---------------------
K
G
T
P
E
E
R
E
K
E
V
A
E
A
S
R
I
L
G
L
D
F
R
--------
G
N
L
G
----
F
P
D
G
G
L
A
-----------------
D
V
P
E
Q
R
L
K
L
A
Q
A
L
R
R
L
R
P
R
V
V
F
A
P
L
E
A
-------
D
-
R
H
-----
P
D
H
T
A
A
S
R
L
A
V
A
A
V
H
L
A
G
--
L
R
K
A
P
L
E
G
E
P
F
R
V
E
R
L
F
F
Y
--------
P
G
N
H
P
F
A
P
S
-------------------------
F
L
V
K
I
S
A
-
F
-
I
D
Q
W
E
A
A
V
L
A
Y
R
S
Q
-
F
-
T
V
G
P
K
G
V
E
A
R
K
A
M
R
R
Y
W
G
N
Y
L
G
V
D
Y
A
E
P
F
V
S
P
L
P
V
L
Y
V
P
W
S
R
A
------------
7
PsiBlast_PDB
55.04
24%
-96
- C2 -
3WL4
9
?
A:
[28-167]
-
F
E
D
A
K
----
K
V
I
C
I
E
P
H
P
D
D
C
A
I
G
M
G
G
T
I
K
K
L
S
D
E
G
V
E
V
I
Y
I
C
M
T
D
G
Y
M
G
--------------
T
T
D
E
K
LS
G
H
E
L
A
L
I
R
R
R
E
E
E
E
S
A
K
L
L
G
V
R
K
I
--------
Y
W
L
N
----
Y
R
D
T
E
L
P
Y
----
S
-------------
R
E
V
R
K
D
L
V
K
I
I
R
K
E
K
P
D
G
V
F
A
P
D
P
W
-----
L
P
Y
E
S
H
-----
P
D
H
R
R
T
G
F
L
A
I
E
S
V
A
F
S
Q
L
------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
54.85
21%
-65
- C2 -
2IXD
2
BSHB1_BACCR
A:
[11-202]
----------------
A
H
A
D
D
V
E
I
G
M
A
G
T
I
A
K
Y
T
K
Q
G
Y
E
V
G
I
--
C
D
L
T
E
---------
A
D
-
L
---
S
S
N
G
T
---
I
E
L
---
R
K
E
E
A
K
V
A
A
R
I
M
G
V
K
T
R
--------
L
N
L
A
----
M
P
D
R
G
L
Y
M
----
K
E
-------------
E
Y
I
R
E
I
V
K
V
I
R
T
Y
K
P
K
L
V
--
F
A
P
Y
-----
Y
E
D
-
R
H
-----
P
D
H
A
N
C
A
K
L
V
E
E
A
I
F
S
A
G
I
R
K
Y
M
P
E
L
--
S
P
H
R
V
E
S
F
Y
------
N
Y
M
I
N
G
F
H
-------
K
P
N
F
C
I
D
I
S
E
Y
L
S
I
----------------------
K
V
E
A
L
E
A
Y
E
S
Q
-
F
-
S
T
G
S
D
G
V
K
T
P
L
T
E
G
Y
V
E
T
V
I
A
R
E
--------------------------------
5
PsiBlast_PDB
54.73
25%
-94
- C2 -
3WE7
5
?
A:
[32-171]
-
F
K
D
A
K
----
K
V
L
C
I
E
P
H
P
D
D
C
V
I
G
M
G
G
T
I
K
K
L
S
D
M
G
V
E
V
I
Y
V
C
M
T
D
G
Y
M
G
--------------
T
T
D
E
S
LS
G
H
E
L
A
A
I
R
R
K
E
E
E
E
S
A
R
L
L
G
V
K
K
I
--------
Y
W
L
N
----
Y
R
D
T
E
L
P
Y
----
S
-------------
R
E
V
R
K
D
L
T
K
I
L
R
K
E
Q
P
D
G
V
F
A
P
D
P
W
-----
L
P
Y
E
S
H
-----
P
D
H
R
R
T
G
F
L
A
I
E
S
V
A
F
S
Q
L
------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
54.68
24%
-68
- C2 -
3DFF
3
?
A:
[8-273]
-----
T
----
R
L
L
A
I
S
P
H
L
D
D
A
V
L
S
F
G
A
G
L
A
Q
A
A
Q
D
G
A
N
V
L
V
Y
T
V
F
A
G
A
A
Q
P
P
Y
S
P
A
A
Q
R
M
H
T
I
W
G
L
A
P
D
---
D
D
A
V
L
Y
R
R
K
E
D
I
A
A
L
D
H
L
R
V
A
H
R
H
G
RFLDSI
Y
R
K
L
P
D
G
R
W
L
T
A
H
V
E
G
RQ
K
L
A
V
N
D
H
S
P
D
S
D
H
D
L
V
G
E
V
A
D
D
I
R
S
I
I
D
E
F
D
P
T
L
V
V
T
C
A
-------
A
I
G
-
E
H
-----
P
D
H
E
A
T
R
D
A
A
L
F
A
T
H
E
K
N
V
--------------
P
V
R
L
W
E
D
L
P
Y
A
V
F
K
S
G
A
V
E
L
P
Q
G
F
R
L
G
S
A
D
V
S
S
V
K
P
--------------------
E
M
R
S
Q
K
F
Q
A
V
E
R
Y
S
S
Q
M
V
L
L
N
G
S
E
N
N
L
F
D
R
L
D
E
H
A
R
Q
N
A
P
H
G
G
Y
G
E
T
T
W
P
V
V
R
S
D
D
S
-----------------
11
PsiBlast_PDB
54.39
24%
-98
- C2 -
4XM1
4
?
A:
[28-167]
-
F
E
D
A
K
----
K
V
I
C
I
E
P
H
P
D
D
C
A
I
G
M
G
G
T
I
K
K
L
S
D
E
G
V
E
V
I
Y
I
C
M
T
D
G
Y
M
G
--------------
T
T
D
E
K
LS
G
H
E
L
A
L
I
R
R
R
E
E
E
E
S
A
K
L
L
G
V
R
K
I
--------
Y
W
L
N
----
Y
R
D
T
E
L
P
Y
----
S
-------------
R
E
V
R
K
D
L
V
K
I
I
R
K
E
K
P
D
G
V
F
A
P
D
P
W
-----
L
P
Y
E
S
H
-----
P
D
H
R
R
T
G
F
L
A
I
E
S
V
A
F
S
Q
L
------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
54.08
24%
-97
- C2 -
4XM2
1
?
A:
[28-167]
-
F
E
D
A
K
----
K
V
I
C
I
E
P
H
P
D
D
C
A
I
G
M
G
G
T
I
K
K
L
S
D
E
G
V
E
V
I
Y
I
C
M
T
D
G
Y
M
G
--------------
T
T
D
E
K
LS
G
H
E
L
A
L
I
R
R
R
E
E
E
E
S
A
K
L
L
G
V
R
K
I
--------
Y
W
L
N
----
Y
R
D
T
E
L
P
Y
----
S
-------------
R
E
V
R
K
D
L
V
K
I
I
R
K
E
K
P
D
G
V
F
A
P
D
P
W
-----
L
P
Y
E
S
H
-----
P
D
H
R
R
T
G
F
L
A
I
E
S
V
A
F
S
Q
L
------------------------------------------------------------------------------------------------------------------------------------------------