@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 : PA5140: (2016-03-04 )
MALAKRIIPCLDVDNGRVVKGVKFENIRDAGDPVEIARRYDEQGADEITFLDITASVDGRDTTLHTVERMASQVFIPLTVGGGVRSVQDIRNLLNAGADKVSINTAAVFNPEFVGEAADRFGSQCIVVAIDAKKVSAPGEAPRWEIFTHGGRKPTGLDAVLWAKKMEDLGAGEILLTSMDQDGVKSGYDLGVTRAISEAVNVPVIASGGVGNLEHLAAGILEGKADAVLAASIFHFGEYTVPEAKAYLASRGIVVR
Atome Classification :
(25 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....----
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
A
L
A
K
RI
I
P
C
L
DV---DN
G
R
--
V
V
--
K
--
G
V
K
FENIRDAG
D
P
V
E
I
A
R
R
Y
DEQGAD
E
I
T
F
L
D
I
T
A
SVDG--RD
T
-
T
L
H
T
V
E
R
M
AS
Q
V
F
I
P
L
TVGGGV
R
S
V
Q
D
I
R
N
-----------
L
L
NAGA
D
K
V
S
I
N
T
A
A
V
F
N
P
E
F
V
G
E
A
A
D
R-------------FGS
Q
-
C
I
V
V
A
I
DAKKVSAPGEA-------------P
R
W
E
I
F
T------HGGRKPTG
L
D
A
V
L
W
A
K
K
M
E
DLGAG
E
I
L
L
T
SMDQDGVKSGYDL
G
V
T
R
A
I
S
E
AVNV
P
V
I
ASGGVG
N
L
E
H
L
A
A
G
I
-LEGKA--
D
A
V
L
A
A
S
I
F
H
FGEYTV
P
E
A
K
A
Y
L
ASRGIVVR----
21
PsiBlast_CBE
97.66
72%
-107
- C5 -
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
----
95
HHSearch
92.53
55%
-102
- C5 -
1THF
2
HIS6_THEMA
D:
[1-249]
-
M
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
----
25
PsiBlast_CBE
92.14
53%
-104
- C5 -
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
----
1
PsiBlast_PDB
92.14
60%
-97
- C5 -
1KA9
-
HIS6_THET8
F:
[2-250]
-
S
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
----
8
PsiBlast_PDB
91.93
53%
-108
- C5 -
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
91.78
53%
-102
- C5 -
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
----
6
PsiBlast_PDB
91.70
53%
-103
- C5 -
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
91.66
53%
-104
- C5 -
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
----
3
PsiBlast_PDB
90.86
53%
-103
- C5 -
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
----
2
PsiBlast_PDB
90.19
55%
-100
- C5 -
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
----
22
PsiBlast_CBE
89.90
55%
-98
- C5 -
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
----
113
Fugue
89.61
53%
-99
- C5 -
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
---GA
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
LEGL
7
PsiBlast_PDB
89.20
52%
-99
- C5 -
1GPW
2
HIS6_THEMA
A:
[2-249]
--
L
A
K
R
I
I
A
C
L
N
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
----
28
PsiBlast_CBE
88.89
48%
-102
- C5 -
3IIP
1
?
E:
[2-250]
-
A
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
---
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
----
27
PsiBlast_CBE
88.79
52%
-98
- C5 -
1GPW
3
HIS6_THEMA
C:
[2-249]
--
L
A
K
R
I
I
A
C
L
N
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
88.70
48%
-101
- C5 -
3IIV
1
?
B:
[1-249]
-
A
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
----
12
PsiBlast_PDB
88.41
48%
-100
- C5 -
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
----
29
PsiBlast_CBE
88.38
48%
-100
- C5 -
3IIP
1
?
C:
[2-250]
-
A
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
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
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
----
11
PsiBlast_PDB
88.21
48%
-99
- C5 -
3IIP
1
?
A:
[2-250]
-
A
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
----
24
PsiBlast_CBE
87.94
53%
-104
- C5 -
3ZR4
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
---------
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
----
33
PsiBlast_CBE
76.25
37%
-102
- C5 -
1OX4
2
HIS5_YEAST
A:
[239-551]
--
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
----
C
PL
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
G
N
R
GDGTS
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
A
DTK
N
K
V
F
E
T
EYPG
P
N
G
E
K
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
55.05
37%
-26
- C5 -
1OX5
2
HIS5_YEAST
B:
[240-551]
--
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
----
C
PL
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
G
N
R
GDGTS
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
A
DTK
N
K
V
F
E
T
EYPG
P
N
G
E
K
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
----
15
PsiBlast_PDB
54.88
37%
-26
- C5 -
1OX5
1
HIS5_YEAST
A:
[240-551]
--
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
----
C
PL
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
G
N
R
GDGTS
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
A
DTK
N
K
V
F
E
T
EYPG
P
N
G
E
K
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
----
14
PsiBlast_PDB
53.56
37%
-29
- C5 -
1OX4
3
HIS5_YEAST
B:
[241-551]
--
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
C
PL
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
G
N
R
GDGTS
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
A
DTK
N
K
V
F
E
T
EYPG
P
N
G
E
K
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
----
34
PsiBlast_CBE
52.61
37%
-24
- C5 -
1JVN
3
HIS5_YEAST
B:
[238-551]
--
L
T
R
R
I
I
A
C
L
D
V
RTN
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
---
D
C
PL
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
TKIPALEVASL
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
G
N
R
GDGTSPIETISKA
Y
G
A
Q
-
A
V
V
I
S
V
D
P
K
R
V
Y
V
N
S
Q
A
DTKNKVFETEYPG
P
N
G
E
K
Y
C
WYQCTI
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
----