@TOME V2.3
(Nov 2016)
Ref.
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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 : Rv1245c: (2016-04-29 )
MEGFAGKVAVVTGAGSGIGQALAIELARSGAKVAISDVDTDGLADTEHRLKAISTPVKTDRLDVTEREAFLAYADAVNEHFGTVNQIYNNAGIAFTGDIEVSQFKDIERVMDVDFWGVVNGTKAFLPHLIASGDGHVINISSVFGLFSAPGQAAYNSAKFAVRGFTEALRQEMALAGHPVKVTTVHPGGVKTAIARNATAAEGLDQAELAETFDKRVAHLSPQRAAQIILTGVAKNKARVLVGVDAKVLDLVVRLTGSGYQRIFPIITGRLIPRPR
Atome Classification :
(34 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....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MEGFA
G
K
V
A
V
V
TGAGSGI
G
Q
A
L
A
I
E
L
A
RSG
A
-
K
V
A
I
S
D---------V-DT-------DGLA
D
T
----
E
H
R
L
K
A
ISTP-V----KTD-RL
D
V
T
E
R
E
A
F
L
A
Y
A
D
A
V
N
E
HF
G
T
V
N
Q
I
YNNA
G
I
---
A
F
TGD-I
E
V
S
Q
F
K
--
D
I
E
--
R
V
MDV
D
F
W
GVVN
G
T
K
A
F
L
P
H
L
IASG-D-G
H
V
I
N
I
S
S
V
F
G
LFSAPG-QAAYNS
A
K
F
A
V
R
G
F
T
E
A
L
R
Q
E
M
ALAG-H
P
V
K
V
T
T
VHPGG
V
K
T
A
I
ARNAT-------AAEGL
D
Q
A
E
L
A
E
T
F
D
K
R
V
A---H--L
S
P
Q
R
A
A
Q
I
I
L
T
GVAKN
K
A
R
V
L
V
GV
D
A
K
V
L
D
L
V
V
R
LTGS
G
Y
Q
R
I
F
P
I
ITGRLIPRPR
66
PsiBlast_CBE
84.55
31%
-62
- C2 -
4YAI
2
?
A:
[3-249]
---
I
A
G
T
T
A
F
I
T
G
G
A
S
G
I
G
F
G
I
A
Q
R
L
L
A
N
G
A
-
R
L
V
L
A
D
---------
I
-
R
Q
-------
D
H
L
D
E
A
R
Q
F
F
E
E
R
Q
Q
G
R
N
---
V
----
H
T
I
-
R
L
D
V
S
D
R
A
Q
M
A
E
A
A
R
E
C
E
A
V
M
G
G
P
D
I
L
I
N
N
A
G
I
---
D
P
S
G
P
-
F
K
D
A
T
Y
Q
--
D
W
D
--
Y
G
L
A
I
N
L
M
G
P
I
N
G
I
M
A
F
T
P
G
M
R
A
R
G
-
R
G
G
H
I
V
N
T
A
S
L
A
G
L
T
P
M
P
S
F
M
A
I
Y
A
T
A
K
A
A
V
I
T
L
T
E
T
I
R
D
S
M
A
E
D
N
---
I
G
V
T
V
L
M
P
G
P
I
K
S
R
I
H
E
S
G
Q
NRPERFR
A
G
S
G
L
--
A
E
T
E
Q
Q
L
A
K
R
V
V
A
DN
W
--
M
E
P
T
E
V
G
D
M
I
V
D
A
I
V
H
N
K
L
Y
V
------------------------------------
121
HHSearch
84.17
30%
-76
- C2 -
1YB1
6
DHB11_HUMAN
A:
[27-268]
-
K
S
V
T
G
E
I
V
L
I
T
G
A
G
H
G
I
G
R
L
T
A
Y
E
F
A
K
L
K
S
-
K
L
V
L
W
D
---------
I
-
N
K
-------
H
G
L
E
E
T
----
A
A
K
C
K
G
L
G
A
K
-
V
----
H
T
F
-
V
V
D
C
S
N
R
E
D
I
Y
S
S
A
K
K
V
K
A
E
I
G
D
V
S
I
L
V
N
N
A
G
V
---
V
Y
T
S
D
-
L
F
A
T
Q
D
P
--
Q
I
E
--
K
T
F
E
V
N
V
L
A
H
F
W
T
T
K
A
F
L
P
A
M
T
K
N
N
-
H
-
G
H
I
V
T
V
A
S
A
A
-
H
V
S
V
P
F
-
L
L
A
Y
C
S
S
K
F
A
A
V
G
F
H
K
T
L
T
D
E
L
A
A
L
Q
I
T
G
V
K
T
T
C
L
C
P
N
F
V
N
T
G
F
I
K
N
P
S
-------
T
--------
S
---
L
G
P
--
T
------
L
E
P
E
E
V
V
N
R
L
M
H
G
I
L
T
E
Q
K
M
I
F
I
P
S
S
I
A
F
L
T
T
L
E
R
I
L
--------------------
65
PsiBlast_CBE
83.90
31%
-62
- C2 -
4YAI
2
?
B:
[3-249]
---
I
A
G
T
T
A
F
I
T
G
G
A
S
G
I
G
F
G
I
A
Q
R
L
L
A
N
G
A
-
R
L
V
L
A
D
---------
I
-
R
Q
-------
D
H
L
D
E
A
RQFF
E
E
R
Q
Q
G
R
N
---
V
----
H
T
I
-
R
L
D
V
S
D
R
A
Q
M
A
E
A
A
R
E
C
E
A
V
M
G
G
P
D
I
L
I
N
N
A
G
I
---
D
P
S
G
P
-
F
K
D
A
T
Y
Q
--
D
W
D
--
Y
G
L
A
I
N
L
M
G
P
I
N
G
I
M
A
F
T
P
G
M
R
A
R
G
-
R
G
G
H
I
V
N
T
A
S
L
A
G
L
T
P
M
P
S
F
M
A
I
Y
A
T
A
K
A
A
V
I
T
L
T
E
T
I
R
D
S
M
A
E
D
N
---
I
G
V
T
V
L
M
P
G
P
I
K
S
R
I
H
E
S
G
Q
NRPERFR
A
G
S
G
L
--
A
E
T
E
Q
Q
L
A
K
R
V
V
ADN
W
--
M
E
P
T
E
V
G
D
M
I
V
D
A
I
V
H
N
K
L
Y
V
------------------------------------
23
PsiBlast_CBE
83.57
34%
-76
- C2 -
4NBT
1
?
D:
[2-217]
-
K
K
L
E
G
K
V
A
V
I
T
G
G
A
K
G
L
G
Q
A
I
A
L
A
Y
A
E
E
G
A
-
K
V
I
A
G
D
----------------------
L
G
D
L
----
T
Y
-----
S
H
P
N
V
----
E
G
M
-
Y
L
N
V
T
D
V
T
G
V
E
K
F
Y
Q
S
V
I
D
K
Y
G
K
I
D
I
L
V
N
N
A
G
I
TKD
A
M
T
R
K
-
M
T
E
A
Q
W
-----
D
--
A
V
I
D
V
N
L
K
G
V
F
N
L
T
R
L
V
G
P
Q
M
Q
T
N
G
-
Y
-
G
S
I
I
N
I
S
S
V
V
G
V
F
G
N
I
G
-
Q
A
N
Y
A
A
T
K
A
G
V
I
G
L
T
M
T
W
A
K
E
F
A
L
K
G
-
A
N
V
R
V
N
A
I
A
P
G
Y
I
M
T
D
I
L
K
--
T
-------
V
P
Q
D
L
L
D
K
F
A
A
L
T
M
L
N
R
L
G
---
Q
----
P
E
E
I
A
K
V
A
L
----------------------------------------------
68
PsiBlast_CBE
83.28
31%
-62
- C2 -
4YAG
1
?
A:
[3-249]
---
I
A
G
T
T
A
F
I
T
G
G
A
S
G
I
G
F
G
I
A
Q
R
L
L
A
N
G
A
-
R
L
V
L
A
D
---------
I
-
R
Q
-------
D
H
L
D
E
A
R
Q
F
F
E
E
R
Q
Q
G
R
N
---
V
----
H
T
I
-
R
L
D
V
S
D
R
A
Q
M
A
E
A
A
R
E
C
E
A
V
M
G
G
P
D
I
L
I
N
N
A
G
I
---
D
P
S
G
P
-
F
K
D
A
T
Y
Q
--
D
W
D
--
Y
G
L
A
I
N
L
M
G
P
I
N
G
I
M
A
F
T
P
G
M
R
A
R
G
-
R
G
G
H
I
V
N
T
A
S
L
A
G
L
T
P
M
P
S
F
M
A
I
Y
A
T
A
K
A
A
V
I
T
L
T
E
T
I
R
D
S
M
A
E
D
N
---
I
G
V
T
V
L
M
P
G
P
I
K
S
R
I
H
E
S
G
Q
NRPERFR
A
G
S
G
L
--
A
E
T
E
Q
Q
L
A
K
R
V
V
A
DN
W
--
M
E
P
T
E
V
G
D
M
I
V
D
A
I
V
H
N
K
L
Y
V
------------------------------------
67
PsiBlast_CBE
82.85
31%
-61
- C2 -
4YAG
1
?
B:
[3-249]
---
I
A
G
T
T
A
F
I
T
G
G
A
S
G
I
G
F
G
I
A
Q
R
L
L
A
N
G
A
-
R
L
V
L
A
D
---------
I
-
R
Q
-------
D
H
L
D
E
A
RQFF
E
E
R
Q
Q
G
R
N
---
V
----
H
T
I
-
R
L
D
V
S
D
R
A
Q
M
A
E
A
A
R
E
C
E
A
V
M
G
G
P
D
I
L
I
N
N
A
G
I
---
D
P
S
G
P
-
F
K
D
A
T
Y
Q
--
D
W
D
--
Y
G
L
A
I
N
L
M
G
P
I
N
G
I
M
A
F
T
P
G
M
R
A
R
G
-
R
G
G
H
I
V
N
T
A
S
L
A
G
L
T
P
M
P
S
F
M
A
I
Y
A
T
A
K
A
A
V
I
T
L
T
E
T
I
R
D
S
M
A
E
D
N
---
I
G
V
T
V
L
M
P
G
P
I
K
S
R
I
H
E
S
G
Q
NRPERFR
A
G
S
G
L
--
A
E
T
E
Q
Q
L
A
K
R
V
V
ADN
W
--
M
E
P
T
E
V
G
D
M
I
V
D
A
I
V
H
N
K
L
Y
V
------------------------------------
11
PsiBlast_PDB
81.26
34%
-73
- C2 -
4NBT
1
?
A:
[2-217]
-
K
K
L
E
G
K
V
A
V
I
T
G
G
A
K
G
L
G
Q
A
I
A
L
A
Y
A
E
E
G
A
-
K
V
I
A
G
D
----------------------
L
G
D
L
----
T
Y
-----
S
H
P
N
V
----
E
G
M
-
Y
L
N
V
T
D
V
T
G
V
E
K
F
Y
Q
S
V
I
D
K
Y
G
K
I
D
I
L
V
N
N
A
G
I
T
KD
A
M
T
R
K
-
M
T
E
A
Q
W
-----
D
--
A
V
I
D
V
N
L
K
G
V
F
N
L
T
R
L
V
G
P
Q
M
Q
T
N
G
-
Y
-
G
S
I
I
N
I
S
S
V
V
G
V
F
G
N
I
G
-
Q
A
N
Y
A
A
T
K
A
G
V
I
G
L
T
M
T
W
A
K
E
F
A
L
K
G
-
A
N
V
R
V
N
A
I
A
P
G
Y
I
M
T
D
I
L
K
--
T
-------
V
P
Q
D
L
L
D
K
F
A
A
L
T
M
L
N
R
L
G
---
Q
----
P
E
E
I
A
K
V
A
L
----------------------------------------------
24
PsiBlast_CBE
79.24
34%
-75
- C2 -
4NBT
1
?
C:
[2-217]
-
K
K
L
E
G
K
V
A
V
I
T
G
G
A
K
G
L
G
Q
A
I
A
L
A
Y
A
E
E
G
A
-
K
V
I
A
G
D
----------------------
L
G
D
L
----
T
Y
-----
S
H
P
N
V
----
E
G
M
-
Y
L
N
V
T
D
V
T
G
V
E
K
F
Y
Q
S
V
I
D
K
Y
G
K
I
D
I
L
V
N
N
A
G
I
TKD
A
M
T
R
K
-
M
T
E
A
Q
W
-----
D
--
A
V
I
D
V
N
L
K
G
V
F
N
L
T
R
L
V
G
P
Q
M
Q
T
N
G
-
Y
-
G
S
I
I
N
I
S
S
V
V
G
V
F
G
N
I
G
-
Q
A
N
Y
A
A
T
K
A
G
V
I
G
L
T
M
T
W
A
K
E
F
A
L
K
G
-
A
N
V
R
V
N
A
I
A
P
G
Y
I
M
T
D
I
L
K
--
T
-------
V
P
Q
D
L
L
D
K
F
A
A
L
T
M
L
N
R
L
G
---
Q
----
P
E
E
I
A
K
V
A
L
----------------------------------------------
25
PsiBlast_CBE
78.83
34%
-70
- C2 -
4NBT
1
?
B:
[2-217]
-
K
K
L
E
G
K
V
A
V
I
T
G
G
A
K
G
L
G
Q
A
I
A
L
A
Y
A
E
E
G
A
-
K
V
I
A
G
D
----------------------
L
G
D
L
----
T
Y
-----
S
H
P
N
V
----
E
G
M
-
Y
L
N
V
T
D
V
T
G
V
E
K
F
Y
Q
S
V
I
D
K
Y
G
K
I
D
I
L
V
N
N
A
G
I
TKD
A
M
T
R
K
-
M
T
E
A
Q
W
-----
D
--
A
V
I
D
V
N
L
K
G
V
F
N
L
T
R
L
V
G
P
Q
M
Q
T
N
G
-
Y
-
G
S
I
I
N
I
S
S
V
V
G
V
F
G
N
I
G
-
Q
A
N
Y
A
A
T
K
A
G
V
I
G
L
T
M
T
W
A
K
E
F
A
L
K
G
-
A
N
V
R
V
N
A
I
A
P
G
Y
I
M
T
D
I
L
K
--
T
-------
V
P
Q
D
L
L
D
K
F
A
A
L
T
M
L
N
R
L
G
---
Q
----
P
E
E
I
A
K
V
A
L
----------------------------------------------
2
PsiBlast_PDB
77.88
33%
-72
- C2 -
4YA6
-
?
A:
[1-250]
M
Q
D
L
E
G
K
V
A
F
V
T
G
G
G
S
G
V
A
L
G
Q
A
K
V
L
A
E
E
A
Q
M
K
V
V
I
A
D
---------
I
-
R
Q
-------
D
H
L
D
E
A
----
M
G
Y
F
S
Q
K
N
V
A
-
V
----
H
P
V
-
R
L
D
L
T
D
R
A
A
Y
A
A
A
V
D
E
A
E
Q
V
F
G
P
V
D
L
L
C
N
T
A
G
V
---
S
Q
F
G
P
-
I
E
K
A
T
F
D
--
D
W
D
--
W
Q
M
D
V
N
V
N
G
V
I
N
G
V
M
T
V
M
P
R
M
I
E
R
G
-
Q
G
G
H
I
L
I
T
A
S
M
S
A
F
V
A
L
P
T
-
T
G
I
Y
C
T
T
K
Y
A
V
R
G
L
A
E
S
L
R
V
E
M
--
P
K
-
Y
N
I
G
V
S
L
L
C
P
G
G
-----------------------
E
A
V
F
A
G
L
--
K
R
V
I
---
E
H
G
F
D
P
V
D
L
G
R
V
V
L
D
A
V
R
N
D
R
F
W
V
L
-----------------------------------
3
PsiBlast_PDB
77.75
33%
-70
- C2 -
4YAC
1
?
A:
[1-250]
M
Q
D
L
E
G
K
V
A
F
V
T
G
G
G
S
G
V
A
L
G
Q
A
K
V
L
A
E
E
A
Q
M
K
V
V
I
A
D
---------
I
-
R
Q
-------
D
H
L
D
E
A
----
M
G
Y
F
S
Q
K
N
V
A
-
V
----
H
P
V
-
R
L
D
L
T
D
R
A
A
Y
A
A
A
V
D
E
A
E
Q
V
F
G
P
V
D
L
L
C
N
T
A
G
V
---
S
Q
F
G
P
-
I
E
K
A
T
F
D
--
D
W
D
--
W
Q
M
D
V
N
V
N
G
V
I
N
G
V
M
T
V
M
P
R
M
I
E
R
G
-
Q
G
G
H
I
L
I
T
A
S
M
S
A
F
V
A
L
P
T
-
T
G
I
Y
C
T
T
K
Y
A
V
R
G
L
A
E
S
L
R
V
E
M
--
P
K
-
Y
N
I
G
V
S
L
L
C
P
G
G
-----------------------
E
A
V
F
A
G
L
--
K
R
V
I
---
E
H
G
F
D
P
V
D
L
G
R
V
V
L
D
A
V
R
N
D
R
F
W
V
L
-----------------------------------
35
PsiBlast_CBE
75.18
33%
-66
- C2 -
2JAP
2
?
D:
[5-220]
---
L
Q
G
K
V
A
L
I
T
G
A
S
S
G
I
G
E
A
T
A
R
A
L
A
A
E
G
A
-
A
V
A
I
A
A
---------
R
-
R
V
-------
E
K
L
R
A
L
----
G
D
E
L
T
A
A
G
A
K
-
V
----
H
V
L
-
E
L
D
V
A
D
R
Q
G
V
D
A
A
V
A
S
T
V
E
A
L
G
G
L
D
I
L
V
N
N
A
G
I
---
M
L
L
G
P
-
V
E
D
A
D
T
T
--
D
W
T
--
R
M
I
D
T
N
L
L
G
L
M
Y
M
T
R
A
A
L
P
H
L
L
R
S
--
K
-
G
T
V
V
Q
M
S
S
I
A
G
R
V
N
V
R
N
-
A
A
V
Y
Q
A
T
K
F
G
V
N
A
F
S
E
T
L
R
Q
E
V
T
E
R
G
---
V
R
V
V
V
I
E
P
G
T
T
D
T
E
L
R
G
H
I
T
-------------
H
T
A
T
K
E
M
Y
E
Q
R
I
S
---
Q
--
I
R
K
L
Q
A
Q
D
I
------------------------------------------------
36
PsiBlast_CBE
75.16
33%
-64
- C2 -
2JAP
2
?
C:
[5-220]
---
L
Q
G
K
V
A
L
I
T
G
A
S
S
G
I
G
E
A
T
A
R
A
L
A
A
E
G
A
-
A
V
A
I
A
A
---------
R
-
R
V
-------
E
K
L
R
A
L
----
G
D
E
L
T
A
A
G
A
K
-
V
----
H
V
L
-
E
L
D
V
A
D
R
Q
G
V
D
A
A
V
A
S
T
V
E
A
L
G
G
L
D
I
L
V
N
N
A
G
I
---
M
L
L
G
P
-
V
E
D
A
D
T
T
--
D
W
T
--
R
M
I
D
T
N
L
L
G
L
M
Y
M
T
R
A
A
L
P
H
L
L
R
S
--
K
-
G
T
V
V
Q
M
S
S
I
A
G
R
V
N
V
R
N
-
A
A
V
Y
Q
A
T
K
F
G
V
N
A
F
S
E
T
L
R
Q
E
V
T
E
R
G
---
V
R
V
V
V
I
E
P
G
T
T
D
T
E
L
R
G
H
I
T
-------------
H
T
A
T
K
E
M
Y
E
Q
R
I
S
---
Q
--
I
R
K
L
Q
A
Q
D
I
------------------------------------------------
37
PsiBlast_CBE
74.83
33%
-64
- C2 -
2JAP
2
?
B:
[5-220]
---
L
Q
G
K
V
A
L
I
T
G
A
S
S
G
I
G
E
A
T
A
R
A
L
A
A
E
G
A
-
A
V
A
I
A
A
---------
R
-
R
V
-------
E
K
L
R
A
L
----
G
D
E
L
T
A
A
G
A
K
-
V
----
H
V
L
-
E
L
D
V
A
D
R
Q
G
V
D
A
A
V
A
S
T
V
E
A
L
G
G
L
D
I
L
V
N
N
A
G
I
---
M
L
L
G
P
-
V
E
D
A
D
T
T
--
D
W
T
--
R
M
I
D
T
N
L
L
G
L
M
Y
M
T
R
A
A
L
P
H
L
L
R
S
--
K
-
G
T
V
V
Q
M
S
S
I
A
G
R
V
N
V
R
N
-
A
A
V
Y
Q
A
T
K
F
G
V
N
A
F
S
E
T
L
R
Q
E
V
T
E
R
G
---
V
R
V
V
V
I
E
P
G
T
T
D
T
E
L
R
G
H
I
T
-------------
H
T
A
T
K
E
M
Y
E
Q
R
I
S
---
Q
--
I
R
K
L
Q
A
Q
D
I
------------------------------------------------
4
PsiBlast_PDB
74.81
33%
-79
- C2 -
3P19
1
?
A:
[15-204]
----
M
K
K
L
V
V
I
T
G
A
S
S
G
I
G
E
A
I
A
R
R
F
S
E
E
G
H
-
P
L
L
L
------------------------
L
A
R
R
----
V
E
R
L
K
A
L
N
L
P
N
T
----
L
C
A
-
Q
V
D
V
T
D
K
Y
T
F
D
T
A
I
T
R
A
E
K
I
Y
G
P
A
D
A
I
V
N
N
A
G
M
---
M
L
L
G
Q
-
I
D
T
Q
E
A
N
--
E
W
Q
--
R
M
F
D
V
N
V
L
G
L
L
N
G
M
Q
A
V
L
A
P
M
K
A
R
N
-
C
-
G
T
I
I
N
I
S
S
I
A
G
K
K
T
F
P
D
-
H
A
A
Y
C
G
T
K
F
A
V
H
A
I
S
E
N
V
R
E
E
V
A
A
S
N
---
V
R
V
M
T
I
A
P
S
A
V
K
T
E
L
L
S
H
T
T
-------
S
Q
Q
-------------------------------------------------------------------------------
54
PsiBlast_CBE
74.53
33%
-79
- C2 -
1NFF
1
HSD_MYCTU
B:
[5-190]
---
L
T
G
K
V
A
L
V
S
G
G
A
R
G
M
G
A
S
H
V
R
A
M
V
A
E
G
A
-
K
V
V
F
G
D
---------
I
L
D
E
-------
E
G
--------
K
A
M
A
A
E
L
A
D
A
-
A
----
R
Y
V
-
H
L
D
V
T
Q
P
A
Q
W
K
A
A
V
D
T
A
V
T
A
F
G
G
L
H
V
L
V
N
N
A
G
I
---
L
N
I
G
T
-
I
E
D
Y
A
L
T
--
E
W
Q
--
R
I
L
D
V
N
L
T
G
V
F
L
G
I
R
A
V
V
K
P
M
K
E
A
G
-
R
-
G
S
I
I
N
I
S
S
I
E
G
L
A
G
T
V
A
-
C
H
G
Y
T
A
T
K
F
A
V
R
G
L
T
K
S
T
A
L
E
L
G
P
S
G
---
I
R
V
N
S
I
H
P
G
L
V
K
T
P
M
----------------------------------------------------------------------------------------------
17
PsiBlast_PDB
74.30
33%
-63
- C2 -
2JAP
2
?
A:
[5-220]
---
L
Q
G
K
V
A
L
I
T
G
A
S
S
G
I
G
E
A
T
A
R
A
L
A
A
E
G
A
-
A
V
A
I
A
A
---------
R
-
R
V
-------
E
K
L
R
A
L
----
G
D
E
L
T
A
A
G
A
K
-
V
----
H
V
L
-
E
L
D
V
A
D
R
Q
G
V
D
A
A
V
A
S
T
V
E
A
L
G
G
L
D
I
L
V
N
N
A
G
I
---
M
L
L
G
P
-
V
E
D
A
D
T
T
--
D
W
T
--
R
M
I
D
T
N
L
L
G
L
M
Y
M
T
R
A
A
L
P
H
L
L
R
S
--
K
-
G
T
V
V
Q
M
S
S
I
A
G
R
V
N
V
R
N
-
A
A
V
Y
Q
A
T
K
F
G
V
N
A
F
S
E
T
L
R
Q
E
V
T
E
R
G
---
V
R
V
V
V
I
E
P
G
T
T
D
T
E
L
R
G
H
I
T
-------------
H
T
A
T
K
E
M
Y
E
Q
R
I
S
---
Q
--
I
R
K
L
Q
A
Q
D
I
------------------------------------------------
83
PsiBlast_CBE
74.15
35%
-67
- C2 -
3UVE
3
?
B:
[11-218]
-----
G
K
V
A
F
V
T
G
A
A
R
G
Q
G
R
S
H
A
V
R
L
A
Q
E
G
A
-
D
I
I
A
V
D
ICKPIRAGV
V
-
D
T
AIPASTP
E
D
L
A
E
T
----
A
D
L
V
K
G
H
N
R
R
-
I
----
V
T
A
-
E
V
D
V
R
D
Y
D
A
L
K
A
A
V
D
S
G
V
E
Q
L
G
R
L
D
I
I
V
A
N
A
G
I
---
G
N
G
G
D
T
L
D
K
T
S
E
E
--
D
W
T
--
E
M
I
D
I
N
L
A
G
V
W
K
T
V
K
A
G
V
P
H
M
I
A
G
G
R
G
-
G
S
I
I
L
T
S
S
V
G
G
L
K
A
Y
P
H
-
T
G
H
Y
V
A
A
K
H
G
V
V
G
L
M
R
A
F
G
V
E
--
L
G
Q
-
H
M
I
R
V
N
S
V
H
P
T
H
V
K
T
P
M
L
H
N
-------------------------------------------------------------------------------------------
82
PsiBlast_CBE
74.14
35%
-68
- C2 -
3UVE
2
?
C:
[11-218]
-----
G
K
V
A
F
V
T
G
A
A
R
G
Q
G
R
S
H
A
V
R
L
A
Q
E
G
A
-
D
I
I
A
V
D
ICKPIRAGV
V
-
D
T
AIPASTP
E
D
L
A
E
T
----
A
D
L
V
K
G
H
N
R
R
-
I
----
V
T
A
-
E
V
D
V
R
D
Y
D
A
L
K
A
A
V
D
S
G
V
E
Q
L
G
R
L
D
I
I
V
A
N
A
G
I
---
G
N
G
G
D
T
L
D
K
T
S
E
E
--
D
W
T
--
E
M
I
D
I
N
L
A
G
V
W
K
T
V
K
A
G
V
P
H
M
I
A
G
G
R
G
-
G
S
I
I
L
T
S
S
V
G
G
L
K
A
Y
P
H
-
T
G
H
Y
V
A
A
K
H
G
V
V
G
L
M
R
A
F
G
V
E
--
L
G
Q
-
H
M
I
R
V
N
S
V
H
P
T
H
V
K
T
P
M
L
H
N
-------------------------------------------------------------------------------------------
22
PsiBlast_CBE
74.05
33%
-80
- C2 -
3P19
1
?
D:
[16-204]
-----
K
K
L
V
V
I
T
G
A
S
S
G
I
G
E
A
I
A
R
R
F
S
E
E
G
H
-
P
L
L
L
------------------------
L
A
R
R
----
V
E
R
L
K
A
L
N
L
P
N
T
----
L
C
A
-
Q
V
D
V
T
D
K
Y
T
F
D
T
A
I
T
R
A
E
K
I
Y
G
P
A
D
A
I
V
N
N
A
G
M
---
M
L
L
G
Q
-
I
D
T
Q
E
A
N
--
E
W
Q
--
R
M
F
D
V
N
V
L
G
L
L
N
G
M
Q
A
V
L
A
P
M
K
A
R
N
-
C
-
G
T
I
I
N
I
S
S
I
A
G
K
K
T
F
P
D
-
H
A
A
Y
C
G
T
K
F
A
V
H
A
I
S
E
N
V
R
E
E
V
A
A
S
N
---
V
R
V
M
T
I
A
P
S
A
V
K
T
E
L
L
S
H
T
T
-------
S
Q
Q
-------------------------------------------------------------------------------
52
PsiBlast_CBE
73.38
33%
-76
- C2 -
1NFQ
2
HSD_MYCTU
B:
[5-190]
---
L
T
G
K
V
A
L
V
S
G
G
A
R
G
M
G
A
S
H
V
R
A
M
V
A
E
G
A
-
K
V
V
F
G
D
---------
I
L
D
E
-------
E
G
--------
K
A
M
A
A
E
L
A
D
A
-
A
----
R
Y
V
-
H
L
D
V
T
Q
P
A
Q
W
K
A
A
V
D
T
A
V
T
A
F
G
G
L
H
V
L
V
N
N
A
G
I
---
L
N
I
G
T
-
I
E
D
Y
A
L
T
--
E
W
Q
--
R
I
L
D
V
N
L
T
G
V
F
L
G
I
R
A
V
V
K
P
M
K
E
A
G
-
R
-
G
S
I
I
N
I
S
S
I
E
G
L
A
G
T
V
A
-
C
H
G
Y
T
A
T
K
F
A
V
R
G
L
T
K
S
T
A
L
E
L
G
P
S
G
---
I
R
V
N
S
I
H
P
G
L
V
K
T
P
M
----------------------------------------------------------------------------------------------
55
PsiBlast_CBE
72.93
33%
-78
- C2 -
1NFF
1
HSD_MYCTU
A:
[5-190]
---
L
T
G
K
V
A
L
V
S
G
G
A
R
G
M
G
A
S
H
V
R
A
M
V
A
E
G
A
-
K
V
V
F
G
D
---------
I
L
D
E
-------
E
G
--------
K
A
M
A
A
E
L
A
D
A
-
A
----
R
Y
V
-
H
L
D
V
T
Q
P
A
Q
W
K
A
A
V
D
T
A
V
T
A
F
G
G
L
H
V
L
V
N
N
A
G
I
---
L
N
I
G
T
-
I
E
D
Y
A
L
T
--
E
W
Q
--
R
I
L
D
V
N
L
T
G
V
F
L
G
I
R
A
V
V
K
P
M
K
E
A
G
-
R
-
G
S
I
I
N
I
S
S
I
E
G
L
A
G
T
V
A
-
C
H
G
Y
T
A
T
K
F
A
V
R
G
L
T
K
S
T
A
L
E
L
G
P
S
G
---
I
R
V
N
S
I
H
P
G
L
V
K
T
P
M
----------------------------------------------------------------------------------------------
51
PsiBlast_CBE
71.82
33%
-74
- C2 -
1NFQ
2
HSD_MYCTU
C:
[5-190]
---
L
T
G
K
V
A
L
V
S
G
G
A
R
G
M
G
A
S
H
V
R
A
M
V
A
E
G
A
-
K
V
V
F
G
D
---------
I
L
D
E
-------
E
G
--------
K
A
M
A
A
E
L
A
D
A
-
A
----
R
Y
V
-
H
L
D
V
T
Q
P
A
Q
W
K
A
A
V
D
T
A
V
T
A
F
G
G
L
H
V
L
V
N
N
A
G
I
---
L
N
I
G
T
-
I
E
D
Y
A
L
T
--
E
W
Q
--
R
I
L
D
V
N
L
T
G
V
F
L
G
I
R
A
V
V
K
P
M
K
E
A
G
-
R
-
G
S
I
I
N
I
S
S
I
E
G
L
A
G
T
V
A
-
C
H
G
Y
T
A
T
K
F
A
V
R
G
L
T
K
S
T
A
L
E
L
G
P
S
G
---
I
R
V
N
S
I
H
P
G
L
V
K
T
P
M
----------------------------------------------------------------------------------------------
43
PsiBlast_CBE
71.70
35%
-70
- C2 -
4NBU
2
?
B:
[8-195]
M
S
R
L
Q
D
K
V
A
I
I
T
G
A
A
N
G
I
G
L
E
A
A
R
V
F
M
K
E
G
A
-
K
V
V
I
A
D
---------
F
-
N
E
----------
A
A
G
----
K
E
A
V
E
A
-
N
P
G
-
V
----
V
F
I
-
R
V
D
V
S
D
R
E
S
V
H
R
L
V
E
N
V
A
E
R
F
G
K
I
D
I
L
I
N
N
A
G
I
T
RD
S
M
L
S
K
-
M
T
V
D
Q
F
-----
Q
--
Q
V
I
N
V
N
L
T
G
V
F
H
C
T
Q
A
V
L
P
Y
M
A
E
Q
G
-
K
-
G
K
I
I
N
T
S
S
V
T
G
T
Y
G
N
V
G
-
Q
T
N
Y
A
A
A
K
A
G
V
I
G
M
T
K
T
W
A
K
E
L
A
R
K
G
---
I
N
V
N
A
V
A
P
G
F
T
E
T
A
M
----------------------------------------------------------------------------------------------
50
PsiBlast_CBE
71.38
33%
-74
- C2 -
1NFQ
2
HSD_MYCTU
D:
[5-190]
---
L
T
G
K
V
A
L
V
S
G
G
A
R
G
M
G
A
S
H
V
R
A
M
V
A
E
G
A
-
K
V
V
F
G
D
---------
I
L
D
E
-------
E
G
--------
K
A
M
A
A
E
L
A
D
A
-
A
----
R
Y
V
-
H
L
D
V
T
Q
P
A
Q
W
K
A
A
V
D
T
A
V
T
A
F
G
G
L
H
V
L
V
N
N
A
G
I
---
L
N
I
G
T
-
I
E
D
Y
A
L
T
--
E
W
Q
--
R
I
L
D
V
N
L
T
G
V
F
L
G
I
R
A
V
V
K
P
M
K
E
A
G
-
R
-
G
S
I
I
N
I
S
S
I
E
G
L
A
G
T
V
A
-
C
H
G
Y
T
A
T
K
F
A
V
R
G
L
T
K
S
T
A
L
E
L
G
P
S
G
---
I
R
V
N
S
I
H
P
G
L
V
K
T
P
M
----------------------------------------------------------------------------------------------
53
PsiBlast_CBE
71.25
33%
-74
- C2 -
1NFQ
2
HSD_MYCTU
A:
[5-190]
---
L
T
G
K
V
A
L
V
S
G
G
A
R
G
M
G
A
S
H
V
R
A
M
V
A
E
G
A
-
K
V
V
F
G
D
---------
I
L
D
E
-------
E
G
--------
K
A
M
A
A
E
L
A
D
A
-
A
----
R
Y
V
-
H
L
D
V
T
Q
P
A
Q
W
K
A
A
V
D
T
A
V
T
A
F
G
G
L
H
V
L
V
N
N
A
G
I
---
L
N
I
G
T
-
I
E
D
Y
A
L
T
--
E
W
Q
--
R
I
L
D
V
N
L
T
G
V
F
L
G
I
R
A
V
V
K
P
M
K
E
A
G
-
R
-
G
S
I
I
N
I
S
S
I
E
G
L
A
G
T
V
A
-
C
H
G
Y
T
A
T
K
F
A
V
R
G
L
T
K
S
T
A
L
E
L
G
P
S
G
---
I
R
V
N
S
I
H
P
G
L
V
K
T
P
M
----------------------------------------------------------------------------------------------
19
PsiBlast_PDB
68.90
35%
-70
- C2 -
4NBU
1
?
A:
[9-195]
-
S
R
L
Q
D
K
V
A
I
I
T
G
A
A
N
G
I
G
L
E
A
A
R
V
F
M
K
E
G
A
-
K
V
V
I
A
D
---------
F
-
N
E
----------
A
A
G
----
K
E
A
V
E
A
-
N
P
G
-
V
----
V
F
I
-
R
V
D
V
S
D
R
E
S
V
H
R
L
V
E
N
V
A
E
R
F
G
K
I
D
I
L
I
N
N
A
G
I
T
RD
S
M
L
S
K
-
M
T
V
D
Q
F
-----
Q
--
Q
V
I
N
V
N
L
T
G
V
F
H
C
T
Q
A
V
L
P
Y
M
A
E
Q
G
-
K
-
G
K
I
I
N
T
S
S
V
T
G
T
Y
G
N
V
G
-
Q
T
N
Y
A
A
A
K
A
G
V
I
G
M
T
K
T
W
A
K
E
L
A
R
K
G
---
I
N
V
N
A
V
A
P
G
F
T
E
T
A
M
----------------------------------------------------------------------------------------------
42
PsiBlast_CBE
67.86
35%
-69
- C2 -
4NBU
1
?
C:
[9-195]
-
S
R
L
Q
D
K
V
A
I
I
T
G
A
A
N
G
I
G
L
E
A
A
R
V
F
M
K
E
G
A
-
K
V
V
I
A
D
---------
F
-
N
E
----------
A
A
G
----
K
E
A
V
E
A
-
N
P
G
-
V
----
V
F
I
-
R
V
D
V
S
D
R
E
S
V
H
R
L
V
E
N
V
A
E
R
F
G
K
I
D
I
L
I
N
N
A
G
I
TRD
S
M
L
S
K
-
M
T
V
D
Q
F
-----
Q
--
Q
V
I
N
V
N
L
T
G
V
F
H
C
T
Q
A
V
L
P
Y
M
A
E
Q
G
-
K
-
G
K
I
I
N
T
S
S
V
T
G
T
Y
G
N
V
G
-
Q
T
N
Y
A
A
A
K
A
G
V
I
G
M
T
K
T
W
A
K
E
L
A
R
K
G
---
I
N
V
N
A
V
A
P
G
F
T
E
T
A
M
----------------------------------------------------------------------------------------------
64
PsiBlast_CBE
67.84
37%
-71
- C2 -
3RRO
11
FABG_VIBCH
A:
[10-197]
---
L
E
G
K
V
A
L
V
T
G
A
S
R
G
I
G
K
A
I
A
E
L
L
A
E
R
G
A
-
K
V
I
------------------------
G
T
A
T
S
----
E
S
G
A
Q
A
I
S
D
Y
-
L
GDN
G
K
G
M
-
A
L
N
V
T
N
P
E
S
I
E
A
V
L
K
A
I
T
D
E
F
G
G
V
D
I
L
V
N
N
A
G
I
-----
T
R
D
-
N
L
L
M
R
M
K
--
E
E
E
W
S
D
I
M
E
T
N
L
T
S
I
F
R
L
S
K
A
V
L
R
G
M
M
K
K
R
-
Q
-
G
R
I
I
N
V
G
S
V
V
G
T
M
G
N
A
G
-
Q
A
N
Y
A
A
A
K
A
G
V
I
G
F
T
K
S
M
A
R
E
V
A
S
R
G
---
V
T
V
N
T
V
A
P
G
F
I
E
T
D
M
T
K
--------------------------------------------------------------------------------------------
41
PsiBlast_CBE
67.57
35%
-71
- C2 -
4NBU
2
?
D:
[9-195]
-
S
R
L
Q
D
K
V
A
I
I
T
G
A
A
N
G
I
G
L
E
A
A
R
V
F
M
K
E
G
A
-
K
V
V
I
A
D
---------
F
-
N
E
----------
A
A
G
----
K
E
A
V
E
A
-
N
P
G
-
V
----
V
F
I
-
R
V
D
V
S
D
R
E
S
V
H
R
L
V
E
N
V
A
E
R
F
G
K
I
D
I
L
I
N
N
A
G
I
TRD
S
M
L
S
K
-
M
T
V
D
Q
F
-----
Q
--
Q
V
I
N
V
N
L
T
G
V
F
H
C
T
Q
A
V
L
P
Y
M
A
E
Q
G
-
K
-
G
K
I
I
N
T
S
S
V
T
G
T
Y
G
N
V
G
-
Q
T
N
Y
A
A
A
K
A
G
V
I
G
M
T
K
T
W
A
K
E
L
A
R
K
G
---
I
N
V
N
A
V
A
P
G
F
T
E
T
A
M
----------------------------------------------------------------------------------------------
63
PsiBlast_CBE
67.49
37%
-72
- C2 -
3RRO
13
FABG_VIBCH
B:
[10-197]
---
L
E
G
K
V
A
L
V
T
G
A
S
R
G
I
G
K
A
I
A
E
L
L
A
E
R
G
A
-
K
V
I
------------------------
G
T
A
T
S
----
E
S
G
A
Q
A
I
S
D
Y
-
L
GDNG
K
G
M
-
A
L
N
V
T
N
P
E
S
I
E
A
V
L
K
A
I
T
D
E
F
G
G
V
D
I
L
V
N
N
A
G
I
-----
T
R
D
-
N
L
L
M
R
M
K
--
E
E
E
WS
D
I
M
E
T
N
L
T
S
I
F
R
L
S
K
A
V
L
R
G
M
M
K
K
R
-
Q
-
G
R
I
I
N
V
G
S
V
V
G
T
M
G
N
A
G
-
Q
A
N
Y
A
A
A
K
A
G
V
I
G
F
T
K
S
M
A
R
E
V
A
S
R
G
---
V
T
V
N
T
V
A
P
G
F
I
E
T
D
M
T
K
--------------------------------------------------------------------------------------------
87
PsiBlast_CBE
57.02
35%
-62
* C2 *
4DMM
1
?
D:
[29-222]
------
R
I
A
L
V
T
G
A
S
R
G
I
G
R
A
I
A
L
E
L
A
A
A
G
A
-
K
V
A
V
N
Y
---------
A
-
S
S
-------
A
G
A
A
D
E
----
V
V
A
A
I
A
A
A
G
G
-
E
----
A
F
A
V
K
A
D
V
S
Q
E
S
E
V
E
A
L
F
A
A
V
I
E
R
W
G
R
L
D
V
L
V
N
N
A
G
I
-----
T
R
D
-
T
L
L
L
R
M
K
RD
D
W
Q
--
S
V
L
D
L
N
L
G
G
V
F
L
C
S
R
A
A
A
K
I
M
L
K
Q
R
-
S
-
G
R
I
I
N
I
A
S
V
V
G
E
M
G
N
P
G
-
Q
A
N
Y
S
A
A
K
A
G
V
I
G
L
T
K
T
V
A
K
E
L
A
S
R
G
---
I
T
V
N
A
V
A
P
G
F
I
A
T
------------------------------------------------------------------------------------------------
89
PsiBlast_CBE
56.36
35%
-59
- C2 -
4DMM
1
?
B:
[29-219]
------
R
I
A
L
V
T
G
A
S
R
G
I
G
R
A
I
A
L
E
L
A
A
A
G
A
-
K
V
A
V
N
Y
---------
A
-
S
S
-------
A
G
A
A
D
E
----
V
V
A
A
I
A
A
A
G
G
-
E
----
A
F
A
V
K
A
D
V
S
Q
E
S
E
V
E
A
L
F
A
A
V
I
E
R
W
G
R
L
D
V
L
V
N
N
A
G
I
-----
T
R
D
-
T
L
L
L
R
M
K
RD
D
W
Q
--
S
V
L
D
L
N
L
G
G
V
F
L
C
S
R
A
A
A
K
I
M
L
K
Q
R
-
S
-
G
R
I
I
N
I
A
S
V
V
G
E
M
G
N
P
G
-
Q
A
N
Y
S
A
A
K
A
G
V
I
G
L
T
K
T
V
A
K
E
L
A
S
R
G
---
I
T
V
N
A
V
A
P
G
F
I
A
T
------------------------------------------------------------------------------------------------
88
PsiBlast_CBE
53.69
35%
-57
- C2 -
4DMM
1
?
C:
[29-219]
------
R
I
A
L
V
T
G
A
S
R
G
I
G
R
A
I
A
L
E
L
A
A
A
G
A
-
K
V
A
V
N
Y
---------
A
-
S
S
-------
A
G
A
A
D
E
----
V
V
A
A
I
A
A
A
G
G
-
E
----
A
F
A
V
K
A
D
V
S
Q
E
S
E
V
E
A
L
F
A
A
V
I
E
R
W
G
R
L
D
V
L
V
N
N
A
G
I
-----
T
R
D
-
T
L
L
L
R
M
K
RD
D
W
Q
--
S
V
L
D
L
N
L
G
G
V
F
L
C
S
R
A
A
A
K
I
M
L
K
Q
R
-
S
-
G
R
I
I
N
I
A
S
V
V
G
E
M
G
N
P
G
-
Q
A
N
Y
S
A
A
K
A
G
V
I
G
L
T
K
T
V
A
K
E
L
A
S
R
G
---
I
T
V
N
A
V
A
P
G
F
I
A
T
------------------------------------------------------------------------------------------------