@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 : Rv1605: (2016-05-03 )
MYADRDLPGAGGLAVRVIPCLDVDDGRVVKGVNFENLRDAGDPVELAAVYDAEGADELTFLDVTASSSGRATMLEVVRRTAEQVFIPLTVGGGVRTVADVDSLLRAGADKVAVNTAAIACPDLLADMARQFGSQCIVLSVDARTVPVGSAPTPSGWEVTTHGGRRGTGMDAVQWAARGADLGVGEILLNSMDADGTKAGFDLALLRAVRAAVTVPVIASGGAGAVEHFAPAVAAGADAVLAASVFHFRELTIGQVKAALAAEGITVR
Atome Classification :
(24 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.....----
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MYADRDLPGAG
G
L
A
V
R
V
I
P
C
L
DV---DDG
R
--
V
V
--K--GV
N
F
E
--
N
LRDAGDP
V
E
L
A
A
V
YDAEGAD
E
L
T
F
L
D
V
TASSS---G
R
A
T
M
L
E
V
V
R
R
TAE
Q
V
F
I
P
L
TVGGGV
R
T
V
A
D
V
D
S
-----------
L
L
R
AGAD
K
V
A
VN
T
A
AIA
C
P
D
L
L
A
D
M
-------------
A
R
Q
FGSQ-
C
I
V
L
S
VDARTVPVGSA------------PTPSG-----
W
E
V
T
THGGRRGTG
M
D
A
V
Q
W
A
ARGADL
G
V
G
E
I
L
L
NSMDADGTKA
G
F
D
L
A
L
L
R
A
V
R
A
A
V
T
V
P
V
I
ASGGA
G
A
V
E
H
F
A
P
A
-
V
A-AG
A
D
A
----
V
L
A
A
S
V
F
H
F
R
EL
T
I
G
Q
V
K
A
A
L
AAEGITVR----
94
HHSearch
93.58
70%
-118
- C3 -
4EVZ
2
?
A:
[3-249]
-------------
A
K
R
I
I
P
C
L
D
V
---
K
D
G
R
--
V
V
--
K
--
G
------
N
L
R
D
A
G
D
P
V
E
L
A
A
R
Y
D
E
E
G
A
D
E
L
V
F
L
D
I
T
A
S
H
E
---
G
R
E
T
M
L
E
V
V
E
R
T
A
E
Q
V
F
I
P
L
T
V
G
G
G
I
R
S
V
E
D
A
S
R
-----------
L
L
R
A
G
A
D
K
V
S
I
N
T
A
A
V
K
N
P
E
L
I
T
E
A
-------------
A
E
E
F
G
S
Q
-
A
V
V
V
A
I
D
A
K
R
V
G
-------------------
G
G
-----
W
E
V
F
T
H
G
G
R
K
P
T
G
L
D
A
V
E
W
A
R
K
V
V
E
L
G
A
G
E
I
L
L
T
S
M
D
R
D
G
T
K
A
G
Y
D
L
E
L
T
R
A
V
S
E
A
V
S
V
P
V
I
A
S
G
G
A
G
E
L
E
H
F
A
E
V
-
F
E
L
E
G
A
D
A
----
A
L
A
A
S
I
F
H
F
G
E
I
T
I
R
E
V
K
A
Y
L
R
E
R
G
I
E
V
-----
21
PsiBlast_CBE
93.50
67%
-120
- C3 -
4EVZ
2
?
B:
[2-250]
------------
L
A
K
R
I
I
P
C
L
D
V
---
K
D
G
R
--
V
V
--
K
--
G
V
N
F
E
--
N
L
R
D
A
G
D
P
V
E
L
A
A
R
Y
D
E
E
G
A
D
E
L
V
F
L
D
I
T
-------
G
R
E
T
M
L
E
V
V
E
R
T
A
E
Q
V
F
I
P
L
T
V
G
G
G
I
R
S
V
E
D
A
S
R
-----------
L
L
R
A
G
A
D
K
V
S
I
N
T
A
A
V
K
N
P
E
L
I
T
E
A
-------------
A
E
E
F
G
S
Q
-
A
V
V
V
A
I
D
A
K
R
V
-------------------
G
G
G
-----
W
E
V
F
T
H
G
G
R
K
P
T
G
L
D
A
V
E
W
A
R
K
V
V
E
L
G
A
G
E
I
L
L
T
S
M
D
R
D
G
T
K
A
G
Y
D
L
E
L
T
R
A
V
S
E
A
V
S
V
P
V
I
A
S
G
G
A
G
E
L
E
H
F
A
E
V
-
F
E
L
E
G
A
D
A
----
A
L
A
A
S
I
F
H
F
G
E
I
T
I
R
E
V
K
A
Y
L
R
E
R
G
I
E
V
R
----
1
PsiBlast_PDB
92.31
67%
-116
- C3 -
4EVZ
2
?
A:
[2-250]
------------
L
A
K
R
I
I
P
C
L
D
V
---
K
D
G
R
--
V
V
--
K
--
G
------
N
L
R
D
A
G
D
P
V
E
L
A
A
R
Y
D
E
E
G
A
D
E
L
V
F
L
D
I
T
A
S
H
E
---
G
R
E
T
M
L
E
V
V
E
R
T
A
E
Q
V
F
I
P
L
T
V
G
G
G
I
R
S
V
E
D
A
S
R
-----------
L
L
R
A
G
A
D
K
V
S
I
N
T
A
A
V
K
N
P
E
L
I
T
E
A
-------------
A
E
E
F
G
S
Q
-
A
V
V
V
A
I
D
A
K
R
V
-------------------
G
G
G
-----
W
E
V
F
T
H
G
G
R
K
P
T
G
L
D
A
V
E
W
A
R
K
V
V
E
L
G
A
G
E
I
L
L
T
S
M
D
R
D
G
T
K
A
G
Y
D
L
E
L
T
R
A
V
S
E
A
V
S
V
P
V
I
A
S
G
G
A
G
E
L
E
H
F
A
E
V
-
F
E
L
E
G
A
D
A
----
A
L
A
A
S
I
F
H
F
G
E
I
T
I
R
E
V
K
A
Y
L
R
E
R
G
I
E
V
R
----
3
PsiBlast_PDB
89.77
56%
-117
- C3 -
1H5Y
4
HIS6_PYRAE
A:
[3-252]
------------
M
A
L
R
I
I
P
C
L
D
I
---
D
G
G
A
KV
V
V
--
K
--
G
V
N
F
Q
--
G
I
R
E
V
G
D
P
V
E
M
A
V
R
Y
E
E
E
G
A
D
E
I
A
I
L
D
I
T
A
A
P
E
---
G
R
A
T
F
I
D
S
V
K
R
V
A
E
A
V
S
I
P
V
L
V
G
G
G
V
R
S
L
E
D
A
T
T
-----------
L
F
R
A
G
A
D
K
V
S
V
N
T
A
A
V
R
N
P
Q
L
V
A
L
L
-------------
A
R
E
F
G
S
Q
-
S
T
V
V
A
I
D
A
K
W
-------------------
N
G
E
Y
-----
Y
E
V
Y
V
K
G
G
R
E
A
T
G
L
D
A
V
K
W
A
K
E
V
E
E
L
G
A
G
E
I
L
L
T
S
I
D
R
D
G
T
G
L
G
Y
D
V
E
L
I
R
R
V
A
D
S
V
R
I
P
V
I
A
S
G
G
A
G
R
V
E
H
F
Y
E
A
-
A
A
-
A
G
A
D
A
----
V
L
A
A
S
L
F
H
F
R
V
L
S
I
A
Q
V
K
R
Y
L
K
E
R
G
V
E
V
R
----
2
PsiBlast_PDB
89.37
59%
-116
- C3 -
1KA9
-
HIS6_THET8
F:
[3-250]
------------
L
A
K
R
I
V
P
C
L
D
V
---
H
A
G
R
--
V
V
--
K
--
G
V
N
F
V
--
N
L
R
D
A
G
D
P
V
E
A
A
R
A
Y
D
E
A
G
A
D
E
L
V
F
L
D
I
S
A
T
H
E
---
E
R
A
I
L
L
D
V
V
A
R
V
A
E
R
V
F
I
P
L
T
V
G
G
G
V
R
S
L
E
D
A
R
K
-----------
L
L
L
S
G
A
D
K
V
S
V
N
S
A
A
V
R
R
P
E
L
I
R
E
L
-------------
A
D
H
F
G
A
Q
-
A
V
V
L
A
I
D
A
R
W
--
R
G
D
F
------------
P
----------
E
V
H
V
A
G
G
R
V
P
T
G
L
H
A
V
E
W
A
V
K
G
V
E
L
G
A
G
E
I
L
L
T
S
M
D
R
D
G
T
K
E
G
Y
D
L
R
L
T
R
M
V
A
E
A
V
G
V
P
V
I
A
S
G
G
A
G
R
M
E
H
F
L
E
A
-
F
Q
-
A
G
A
E
A
----
A
L
A
A
S
V
F
H
F
G
E
I
P
I
P
K
L
K
R
Y
L
A
E
K
G
V
H
V
R
----
22
PsiBlast_CBE
89.28
56%
-115
- C3 -
1H5Y
4
HIS6_PYRAE
B:
[3-252]
------------
M
A
L
R
I
I
P
C
L
D
I
---
D
G
G
A
KV
V
V
--
K
--
G
V
N
F
Q
--
G
I
R
E
V
G
D
P
V
E
M
A
V
R
Y
E
E
E
G
A
D
E
I
A
I
L
D
I
T
A
A
P
E
---
G
R
A
T
F
I
D
S
V
K
R
V
A
E
A
V
S
I
P
V
L
V
G
G
G
V
R
S
L
E
D
A
T
T
-----------
L
F
R
A
G
A
D
K
V
S
V
N
T
A
A
V
R
N
P
Q
L
V
A
L
L
-------------
A
R
E
F
G
S
Q
-
S
T
V
V
A
I
D
A
K
W
-------------------
N
G
E
Y
-----
Y
E
V
Y
V
K
G
G
R
E
A
T
G
L
D
A
V
K
W
A
K
E
V
E
E
L
G
A
G
E
I
L
L
T
S
I
D
R
D
G
T
G
L
G
Y
D
V
E
L
I
R
R
V
A
D
S
V
R
I
P
V
I
A
S
G
G
A
G
R
V
E
H
F
Y
E
A
-
A
A
-
A
G
A
D
A
----
V
L
A
A
S
L
F
H
F
R
V
L
S
I
A
Q
V
K
R
Y
L
K
E
R
G
V
E
V
R
----
89
HHSearch
89.24
55%
-117
- C3 -
1H5Y
4
HIS6_PYRAE
A:
[2-252]
-----------
H
M
A
L
R
I
I
P
C
L
D
I
---
D
G
G
A
--
K
V
--
V
--
V
K
G
V
N
F
Q
G
I
R
E
V
G
D
P
V
E
M
A
V
R
Y
E
E
E
G
A
D
E
I
A
I
L
D
I
T
A
A
P
E
---
G
R
A
T
F
I
D
S
V
K
R
V
A
E
A
V
S
I
P
V
L
V
G
G
G
V
R
S
L
E
D
A
T
T
-----------
L
F
R
A
G
A
D
K
V
S
V
N
T
A
A
V
R
N
P
Q
L
V
A
L
L
-------------
A
R
E
F
G
S
Q
-
S
T
V
V
A
I
D
A
K
W
N
G
-------------------
E
Y
-----
Y
E
V
Y
V
K
G
G
R
E
A
T
G
L
D
A
V
K
W
A
K
E
V
E
E
L
G
A
G
E
I
L
L
T
S
I
D
R
D
G
T
G
L
G
Y
D
V
E
L
I
R
R
V
A
D
S
V
R
I
P
V
I
A
S
G
G
A
G
R
V
E
H
F
Y
E
A
-
A
A
-
A
G
A
D
A
----
V
L
A
A
S
L
F
H
F
R
V
L
S
I
A
Q
V
K
R
Y
L
K
E
R
G
V
E
V
R
----
92
HHSearch
88.60
53%
-118
- C3 -
1THF
2
HIS6_THEMA
D:
[3-249]
-------------
A
K
R
I
I
A
C
L
D
V
---
K
D
G
R
--
V
V
--
K
--
G
S
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
V
F
L
D
I
T
A
S
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
S
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
A
I
D
A
K
R
V
D
-------------------
G
E
-----
F
M
V
F
T
Y
S
G
K
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
L
L
T
S
I
D
R
D
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
S
G
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
L
A
A
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
6
PsiBlast_PDB
88.26
51%
-120
- C3 -
2A0N
8
HIS6_THEMA
A:
[14-261]
------------
L
A
K
R
I
I
A
C
L
D
V
---
K
D
G
R
--
V
V
--
K
--
G
T
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
V
F
L
D
I
T
A
S
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
S
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
A
I
D
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
K
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
L
L
T
S
I
D
R
D
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
S
G
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
L
A
A
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
25
PsiBlast_CBE
87.93
51%
-121
- C3 -
2WJZ
1
HIS6_THEMA
C:
[2-249]
------------
L
A
K
R
I
I
A
C
L
D
V
---
K
D
G
R
--
V
V
--
K
--
G
T
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
V
F
L
D
I
T
A
S
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
S
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
A
I
D
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
K
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
L
L
T
S
I
D
R
D
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
S
G
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
L
A
A
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
9
PsiBlast_PDB
87.59
50%
-124
- C3 -
4EWN
1
HIS6_THEMA
D:
[2-249]
------------
L
A
K
R
I
I
A
C
L
D
V
---
K
D
G
R
--
V
V
--
K
--
G
T
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
V
F
L
D
I
T
---------
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
S
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
A
I
V
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
K
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
L
L
T
S
I
D
R
V
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
S
G
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
L
A
A
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
5
PsiBlast_PDB
87.53
51%
-120
- C3 -
1VH7
1
HIS6_THEMA
A:
[4-251]
------------
L
A
K
R
I
I
A
C
L
D
V
---
K
D
G
R
--
V
V
--
K
--
G
T
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
V
F
L
D
I
T
A
S
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
S
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
A
I
D
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
K
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
L
L
T
S
I
D
R
D
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
S
G
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
L
A
A
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
7
PsiBlast_PDB
87.37
51%
-118
- C3 -
1THF
2
HIS6_THEMA
D:
[2-249]
------------
L
A
K
R
I
I
A
C
L
D
V
---
K
D
G
R
--
V
V
--
K
--
G
S
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
V
F
L
D
I
T
A
S
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
S
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
A
I
D
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
K
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
L
L
T
S
I
D
R
D
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
S
G
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
L
A
A
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
4
PsiBlast_PDB
86.77
51%
-120
- C3 -
2WJZ
1
HIS6_THEMA
A:
[2-249]
------------
L
A
K
R
I
I
A
C
L
D
V
---
K
D
G
R
--
V
V
--
K
--
G
T
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
V
F
L
D
I
T
A
S
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
S
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
A
I
D
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
K
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
L
L
T
S
I
D
R
D
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
S
G
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
L
A
A
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
31
PsiBlast_CBE
86.34
46%
-123
- C3 -
3IIV
1
?
B:
[2-249]
------------
L
A
K
R
I
D
A
A
L
I
L
---
K
D
G
R
--
V
V
--
K
--
G
S
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
S
F
W
D
I
T
A
S
V
E
---
K
-
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
I
T
V
G
G
G
I
Y
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
E
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
Y
I
A
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
T
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
V
L
G
S
I
D
R
L
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
H
R
G
A
G
K
T
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
K
A
D
S
V
F
H
S
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
13
PsiBlast_PDB
85.86
46%
-119
- C3 -
3IIV
-
?
A:
[3-249]
-------------
A
K
R
I
D
A
A
L
I
L
---
K
D
G
R
--
V
V
--
K
--
G
S
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
S
F
W
D
I
T
A
S
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
I
T
V
G
G
G
I
Y
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
E
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
Y
I
A
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
T
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
V
L
G
S
I
D
R
L
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
H
R
G
A
G
K
T
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
K
A
D
S
V
F
H
S
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
10
PsiBlast_PDB
85.64
48%
-116
- C3 -
2RKX
-
?
A:
[2-249]
------------
L
A
K
R
I
I
A
A
L
I
V
---
K
D
G
R
--
V
V
--
K
--
G
S
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
S
F
W
D
I
T
A
S
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
E
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
Y
I
A
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
K
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
V
L
G
S
I
D
R
L
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
H
G
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
K
A
N
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
11
PsiBlast_PDB
85.54
47%
-118
- C3 -
3IIO
-
?
A:
[3-249]
-------------
A
K
R
I
D
A
A
L
I
V
---
K
D
G
R
--
V
V
--
K
--
G
S
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
S
F
W
D
I
T
A
S
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
E
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
Y
I
A
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
E
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
V
L
G
S
I
D
R
L
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
H
R
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
K
A
D
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
78
Fugue
85.37
50%
-116
- C3 -
1THF
2
HIS6_THEMA
D:
[1-253]
-----------
M
L
A
K
R
I
I
A
C
L
D
V
---
K
D
G
R
--
V
V
--
K
GS
N
F
E
N
L
--
R
--
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
V
F
L
D
I
T
A
S
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
S
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
A-
V
V
V
A
I
D
A
K
R
V
D
-------------------
G
E
-----
F
M
V
F
T
Y
S
G
K
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
L
L
T
S
I
D
R
D
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
S
G
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
----GADA
A
L
A
A
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
LEGL
12
PsiBlast_PDB
85.17
47%
-118
- C3 -
3IIP
1
?
A:
[3-250]
------------
L
A
K
R
I
D
A
A
L
I
V
---
K
D
G
R
--
V
V
--
E
--
G
S
N
F
E
--
N
L
R
D
S
G
D
P
V
E
L
G
K
F
Y
S
E
I
G
I
D
E
L
S
F
W
D
I
T
A
-
V
E
---
K
R
K
T
M
L
E
L
V
E
K
V
A
E
Q
I
D
I
P
F
T
V
G
G
G
I
H
D
F
E
T
A
S
E
-----------
L
I
L
R
G
A
D
K
V
E
I
N
T
A
A
V
E
N
P
S
L
I
T
Q
I
-------------
A
Q
T
F
G
S
Q
-
A
V
V
V
Y
I
A
A
K
R
V
-------------------
D
G
E
-----
F
M
V
F
T
Y
S
G
T
K
N
T
G
I
L
L
R
D
W
V
V
E
V
E
K
R
G
A
G
E
I
V
L
G
S
I
D
R
L
G
T
K
S
G
Y
D
T
E
M
I
R
F
V
R
P
L
T
T
L
P
I
I
A
H
R
G
A
G
K
M
E
H
F
L
E
A
-
F
L
-
A
G
A
D
A
----
A
K
A
D
S
V
F
H
F
R
E
I
D
V
R
E
L
K
E
Y
L
K
K
H
G
V
N
V
R
----
14
PsiBlast_PDB
80.21
36%
-124
- C3 -
1OX4
2
HIS5_YEAST
A:
[238-551]
-----------
G
L
T
R
R
I
I
A
C
L
D
V
R
T
N
D
Q
G
D
--
L
V
VT
K
--
G
D
---------
L
G
K
P
V
Q
L
A
Q
K
Y
Y
Q
Q
G
A
D
E
V
T
F
L
N
I
T
----CPL
K
D
T
P
M
L
E
V
L
K
Q
A
A
K
T
V
F
V
P
L
T
V
G
G
G
I
K
D
I
V
D
V
D
G
T
K
I
P
A
L
E
V
A
S
L
Y
F
R
S
G
A
D
K
V
S
I
G
T
D
A
V
Y
A
A
E
K
Y
Y
E
L
GNRGDGTS
P
I
E
T
I
S
K
A
Y
G
A
Q
-
A
V
V
I
S
V
D
P
K
R
V
Y
V
N
S
Q
ADTK
N
K
V
F
E
T
EY
P
G
P
N
G
EK
Y
C
W
Y
Q
C
T
I
K
G
G
R
E
S
R
D
L
G
V
W
E
L
T
R
A
C
E
A
L
G
A
G
E
I
L
L
N
C
I
D
K
D
G
S
N
S
G
Y
D
L
E
L
I
E
H
V
K
D
A
V
K
I
P
V
I
A
S
S
G
A
G
V
P
E
H
F
E
E
A
F
L
K
-
T
R
A
D
A
----
C
L
G
A
G
M
F
H
R
G
E
F
T
V
N
D
V
K
E
Y
L
L
E
H
G
L
K
V
R
----
32
PsiBlast_CBE
56.51
36%
-45
- C3 -
1OX5
2
HIS5_YEAST
B:
[239-551]
-----------
G
L
T
R
R
I
I
A
C
L
D
V
R
T
N
D
Q
G
D
--
L
V
V
T
K
-------------
L
G
K
P
V
Q
L
A
Q
K
Y
Y
Q
Q
G
A
D
E
V
T
F
L
N
I
T
----CPL
K
D
T
P
M
L
E
V
L
K
Q
A
A
K
T
V
F
V
P
L
T
V
G
G
G
I
K
D
I
V
D
V
D
G
T
K
I
P
A
L
E
V
A
S
L
Y
F
R
S
G
A
D
K
V
S
I
G
T
D
A
V
Y
A
A
E
K
Y
Y
E
L
GNRGDGTS
P
I
E
T
I
S
K
A
Y
G
A
Q
-
A
V
V
I
S
V
D
P
K
R
V
Y
V
N
S
Q
ADTK
N
K
V
F
E
T
EY
P
G
P
N
G
EK
Y
C
W
Y
Q
C
T
I
K
G
G
R
E
S
R
D
L
G
V
W
E
L
T
R
A
C
E
A
L
G
A
G
E
I
L
L
N
C
I
D
K
D
G
S
N
S
G
Y
D
L
E
L
I
E
H
V
K
D
A
V
K
I
P
V
I
A
S
S
G
A
G
V
P
E
H
F
E
E
A
F
L
K
-
T
R
A
D
A
----
C
L
G
A
G
M
F
H
R
G
E
F
T
V
N
D
V
K
E
Y
L
L
E
H
G
L
K
V
R
----
16
PsiBlast_PDB
56.36
36%
-43
- C3 -
1OX5
1
HIS5_YEAST
A:
[239-551]
-----------
G
L
T
R
R
I
I
A
C
L
D
V
R
T
N
D
Q
G
D
--
L
V
VT
K
-------------
L
G
K
P
V
Q
L
A
Q
K
Y
Y
Q
Q
G
A
D
E
V
T
F
L
N
I
T
----CPL
K
D
T
P
M
L
E
V
L
K
Q
A
A
K
T
V
F
V
P
L
T
V
G
G
G
I
K
D
I
V
D
V
D
G
T
K
I
P
A
L
E
V
A
S
L
Y
F
R
S
G
A
D
K
V
S
I
G
T
D
A
V
Y
A
A
E
K
Y
Y
E
L
GNRGDGTS
P
I
E
T
I
S
K
A
Y
G
A
Q
-
A
V
V
I
S
V
D
P
K
R
V
Y
V
N
S
Q
ADTK
N
K
V
F
E
T
EY
P
G
P
N
G
EK
Y
C
W
Y
Q
C
T
I
K
G
G
R
E
S
R
D
L
G
V
W
E
L
T
R
A
C
E
A
L
G
A
G
E
I
L
L
N
C
I
D
K
D
G
S
N
S
G
Y
D
L
E
L
I
E
H
V
K
D
A
V
K
I
P
V
I
A
S
S
G
A
G
V
P
E
H
F
E
E
A
F
L
K
-
T
R
A
D
A
----
C
L
G
A
G
M
F
H
R
G
E
F
T
V
N
D
V
K
E
Y
L
L
E
H
G
L
K
V
R
----
33
PsiBlast_CBE
54.64
36%
-52
* C3 *
1OX4
3
HIS5_YEAST
B:
[240-551]
-----------
G
L
T
R
R
I
I
A
C
L
D
V
R
T
N
D
Q
G
D
--
L
V
VT
K
--
G
D
---------
L
G
K
P
V
Q
L
A
Q
K
Y
Y
Q
Q
G
A
D
E
V
T
F
L
N
I
T
S
F
R
D
CPL
K
D
T
P
M
L
E
V
L
K
Q
A
A
K
T
V
F
V
P
L
T
V
G
G
G
I
K
D
I
V
D
V
D
G
T
K
I
P
A
L
E
V
A
S
L
Y
F
R
S
G
A
D
K
V
S
I
G
T
D
A
V
Y
A
A
E
K
Y
Y
E
L
GNRGDGTS
P
I
E
T
I
S
K
A
Y
G
A
Q
-
A
V
V
I
S
V
D
P
K
R
V
Y
V
N
S
Q
ADTK
N
K
V
F
E
T
EY
P
G
P
N
G
EK
Y
C
W
Y
Q
C
T
I
K
G
G
R
E
S
R
D
L
G
V
W
E
L
T
R
A
C
E
A
L
G
A
G
E
I
L
L
N
C
I
D
K
D
G
S
N
S
G
Y
D
L
E
L
I
E
H
V
K
D
A
V
K
I
P
V
I
A
S
S
G
A
G
V
P
E
H
F
E
E
A
F
L
K
-
T
R
A
D
A
----
C
L
G
A
G
M
F
H
R
G
E
F
T
V
N
D
V
K
E
Y
L
L
E
H
G
L
K
V
R
----