@TOME V2.3
(Mar 2018)
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 : B0VKW3: (2017-10-30 )
MSQIAQPITIRNTTFKNRIIKGAMSEALANYEGQPNELHLGLYSAWAKGGLGCAITGNVMVNVEAKNEPGVVVIETERDLERLKEWAAVGKQYGMVQLIQLSHPGRQCPKGLNKETVAPSAVPFSPALATMFGNPRALTHEEILDIIKRFANAARICERAGFEGVQLHGAHGYLISQFLSPLTNKRTDQWGGSIENRTRFLLEVYKAVREATSDNFIISVKLNSADFQRGGISEEDVISVFKAVDEAGIDLIEISGGTYEAPAMAGAKADKRKASTIAREAYFLDFAEKIRQHVKCKLMVTGGFRTVEGMNAALASGACDFIGIARPLAVETDLTDRLIAGQDVRYAVKPIKTGLPFVDKMAIMEIIWYAAQFKAIGQGKKPNPKLSPLIVFLNYAKGNIKAVVQGRVNSRKSA
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.......330.......340-........350.......360.......370.......380.......390.......400.......410..----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
-MSQIAQ
P
I
T
IRNT
T
F
K
N
R
I
I
K
G
A
M
S
E
A
L
A
N-YEGQ-PN-
E
L
H
L
G
L
Y
S
A
W
AKGGL
G
C
A
I
TG
N
V
M
V
N
V
E
A---KNEP
G
V
V
V
I
ET
E
R
D
L
E
R
L
K
E
W
A
A
V
------
G
K
QYG
M
V
Q
L
I
QL---SHPGRQCP--------------KGLN--------------K---------ETVAPSAV--PFS
P
A
L
A
T
MFGNPR-AL
T
H
E
E
I
L
D
I
I
K
R
F
A
N
A
A
R
I
C
E
R
AGFE
G
V
Q
L
HGA
H
G
Y
L
I
S
Q
F
L
S
P
L
TNKR
T
D
QWGGS
I
E
N
R
T
R
F
L
L
E
V
Y
K
A
V
R
E
ATSD
N
F
I
I
S
V
K
LN
S
A
D
FQ-R-GGI
S
E
E
D
V
I
S
V
F
K
A
V
D
E
AG
I
D
L
I
E
ISGGTYEAPAMAGAKA
D
K
R
K
A
S
T
I
A
R
E
A
Y
F
L
D
F
A
E
K
I
R
Q
HV
K
C
K
L
M
V
TGGFRTVEG
M
N
A
A
L
ASGAC
D
F
IGIARPLAVETDLTDRLIAG--QD
V
R
Y
A
V
K
P
IKTGL
P
F
V
D
K
M
A
I
M
E
I
I
W
Y
A
A
Q
F
K
AIGQGKKPNPKL
S
P
L
I
V
F
L
NYAKG
N
I
K
A
V
V
QGRVNSRKSA----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
88.82
31%
-103
- C4 -
-
3KRZ
2
?
A:
[2-310]
--
S
I
L
H
M
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
G
M
-
P
N
-
D
W
H
I
V
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
---
R
I
T
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
------
C
K
A
N
G
A
V
M
G
I
Q
L
---
A
H
A
G
R
K
C
N
--------------
I
S
Y
---------------
E
---------
D
V
V
G
P
S
P
I
------
K
A
G
D
R
Y
K
L
P
R
-
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
L
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
-
G
G
I
N
I
D
M
M
V
E
Y
I
N
M
I
K
D
K
-
V
D
L
I
D
V
S
S
G
G
L
------------
L
N
V
D
I
N
L
Y
P
G
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
88.50
31%
-98
- C4 -
-
3KRU
1
?
A:
[2-310]
--
S
I
L
H
M
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
G
M
-
P
N
-
D
W
H
I
V
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
---
R
I
T
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
------
C
K
A
N
G
A
V
M
G
I
Q
L
---
A
H
A
G
R
K
C
N
--------------
I
S
Y
---------------
E
---------
D
V
V
G
P
S
P
I
------
K
A
G
D
R
Y
K
L
P
R
-
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
L
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
-
G
G
I
N
I
D
M
M
V
E
Y
I
N
M
I
K
D
K
-
V
D
L
I
D
V
S
S
G
G
L
------------
L
N
V
D
I
N
L
Y
P
G
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
88.49
31%
-101
- C4 -
-
3KRZ
2
?
B:
[3-310]
---
I
L
H
M
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
G
M
-
P
N
-
D
W
H
I
V
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
---
R
I
T
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
------
C
K
A
N
G
A
V
M
G
I
Q
L
---
A
H
A
G
R
K
C
N
--------------
I
S
Y
---------------
E
---------
D
V
V
G
P
S
P
I
------
K
A
G
D
R
Y
K
L
P
R
-
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
L
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
-
G
G
I
N
I
D
M
M
V
E
Y
I
N
M
I
K
D
K
-
V
D
L
I
D
V
S
S
G
G
L
------------
L
N
V
D
I
N
L
Y
P
G
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
88.45
31%
-99
- C4 -
-
3KRU
1
?
C:
[2-310]
--
S
I
L
H
M
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
G
M
-
P
N
-
D
W
H
I
V
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
---
R
I
T
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
------
C
K
A
N
G
A
V
M
G
I
Q
L
---
A
H
A
G
R
K
C
N
--------------
I
S
Y
---------------
E
---------
D
V
V
G
P
S
P
I
------
K
A
G
D
R
Y
K
L
P
R
-
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
L
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
-
G
G
I
N
I
D
M
M
V
E
Y
I
N
M
I
K
D
K
-
V
D
L
I
D
V
S
S
G
G
L
------------
L
N
V
D
I
N
L
Y
P
G
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
88.31
31%
-102
- C4 -
-
3KRZ
2
?
C:
[3-310]
---
I
L
H
M
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
G
M
-
P
N
-
D
W
H
I
V
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
---
R
I
T
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
------
C
K
A
N
G
A
V
M
G
I
Q
L
---
A
H
A
G
R
K
C
N
--------------
I
S
Y
---------------
E
---------
D
V
V
G
P
S
P
I
------
K
A
G
D
R
Y
K
L
P
R
-
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
L
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
-
G
G
I
N
I
D
M
M
V
E
Y
I
N
M
I
K
D
K
-
V
D
L
I
D
V
S
S
G
G
L
------------
L
N
V
D
I
N
L
Y
P
G
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
87.91
31%
-100
- C4 -
-
3KRU
1
?
D:
[2-310]
--
S
I
L
H
M
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
G
M
-
P
N
-
D
W
H
I
V
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
---
R
I
T
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
------
C
K
A
N
G
A
V
M
G
I
Q
L
---
A
H
A
G
R
K
C
N
--------------
I
S
Y
---------------
E
---------
D
V
V
G
P
S
P
I
------
K
A
G
D
R
Y
K
L
P
R
-
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
L
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
-
G
G
I
N
I
D
M
M
V
E
Y
I
N
M
I
K
D
K
-
V
D
L
I
D
V
S
S
G
G
L
------------
L
N
V
D
I
N
L
Y
P
G
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
87.66
31%
-98
- C4 -
-
3KRU
1
?
B:
[2-310]
--
S
I
L
H
M
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
G
M
-
P
N
-
D
W
H
I
V
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
---
R
I
T
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
------
C
K
A
N
G
A
V
M
G
I
Q
L
---
A
H
A
G
R
K
C
N
--------------
I
S
Y
---------------
E
---------
D
V
V
G
P
S
P
I
------
K
A
G
D
R
Y
K
L
P
R
-
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
L
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
-
G
G
I
N
I
D
M
M
V
E
Y
I
N
M
I
K
D
K
-
V
D
L
I
D
V
S
S
G
G
L
------------
L
N
V
D
I
N
L
Y
P
G
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
86.45
31%
-101
- C4 -
-
3KRZ
2
?
D:
[2-310]
--
S
I
L
H
M
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
G
M
-
P
N
-
D
W
H
I
V
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
S
R
G
---
R
I
T
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
------
C
K
A
N
G
A
V
M
G
I
Q
L
---
A
H
A
G
R
K
C
N
--------------
I
S
Y
---------------
E
---------
D
V
V
G
P
S
P
I
------
K
A
G
D
R
Y
K
L
P
R
-
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
L
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
-
K
N
W
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
-
G
G
I
N
I
D
M
M
V
E
Y
I
N
M
I
K
D
K
-
V
D
L
I
D
V
S
S
G
G
L
------------
L
N
V
D
I
N
L
Y
P
G
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
115
HHSearch
86.23
32%
-30
- C4 -
-
3HGJ
2
?
A:
[2-337]
--
A
L
L
F
T
P
L
E
L
G
G
L
R
L
K
N
R
L
A
M
S
P
M
C
Q
Y
S
A
T
-
L
E
G
E
-
V
T
-
D
W
H
L
L
H
Y
P
T
R
A
L
G
G
V
G
L
I
L
V
E
A
T
A
V
E
P
L
G
---
R
I
S
P
Y
D
L
G
I
W
S
E
D
H
L
P
G
L
K
E
L
A
R
R
------
I
R
E
A
G
A
V
P
G
I
Q
L
---
A
H
A
G
R
K
A
G
--------------
T
A
R
P
WEGGKPLG------
W
---------
R
V
V
G
P
S
P
I
--
P
F
D
E
----
G
Y
P
V
P
E
-
P
L
D
E
A
G
M
E
R
I
L
Q
A
F
V
E
G
A
R
R
A
L
R
A
G
F
Q
V
I
E
L
H
M
A
H
G
Y
L
L
S
S
F
L
S
P
L
S
N
Q
R
T
D
A
Y
G
G
S
L
E
N
R
M
R
F
P
L
Q
V
A
Q
A
V
R
E
V
V
P
R
E
L
P
L
F
V
R
V
S
A
T
D
W
G
-
E
-
G
G
W
S
L
E
D
T
L
A
F
A
R
R
L
K
E
L
G
V
D
L
L
D
C
S
S
G
G
V
V
L
R
V
R
I
P
-----------
L
A
P
G
F
Q
V
P
F
A
D
A
V
R
K
R
V
G
L
R
T
G
A
V
G
L
I
T
T
P
E
Q
A
E
T
L
L
Q
A
G
S
A
D
L
V
L
L
G
R
V
L
L
R
D
P
Y
F
P
L
R
A
A
K
A
--
L
G
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
128
HHSearch
84.87
30%
-19
- C4 -
-
3L5L
4
?
A:
[2-345]
--
S
A
L
F
E
P
Y
T
L
K
D
V
T
L
R
N
R
I
A
I
P
P
M
C
Q
Y
M
A
E
--
D
G
M
-
I
N
-
D
W
H
H
V
H
L
A
G
L
A
R
G
G
A
G
L
L
V
V
E
A
T
A
V
A
P
E
G
---
R
I
T
P
G
C
A
G
I
W
S
D
A
H
A
Q
A
F
V
P
V
V
Q
A
------
I
K
A
A
G
S
V
P
G
I
Q
I
---
A
H
A
G
R
K
A
S
--------------
A
N
R
P
WEGDDHIAADDTR
G
W
---------
E
T
I
A
P
S
A
I
--
A
F
G
A
H
---
L
P
K
V
P
R
-
E
M
T
L
D
D
I
A
R
V
K
Q
D
F
V
D
A
A
R
R
A
R
D
A
G
F
E
W
I
E
L
H
F
A
H
G
Y
L
G
Q
S
F
F
S
E
H
S
N
K
R
T
D
A
Y
G
G
S
F
D
N
R
S
R
F
L
L
E
T
L
A
A
V
R
E
V
W
P
E
N
L
P
L
T
A
R
F
G
V
L
E
Y
D
-
G
R
D
E
Q
T
L
E
E
S
I
E
L
A
R
R
F
K
A
G
G
L
D
L
L
S
V
S
V
G
F
T
I
P
D
T
N
I
P
-----------
W
G
P
A
F
M
G
P
I
A
E
R
V
R
R
E
A
K
L
P
V
T
S
A
W
G
F
G
T
P
Q
L
A
E
A
A
L
Q
A
N
Q
L
D
L
V
S
V
G
R
A
H
L
A
D
P
H
W
A
Y
F
A
A
K
E
--
L
G
V
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
83.10
31%
-19
- C4 -
-
1Z42
2
NAMA_BACSU
A:
[8-329]
-------
P
I
T
I
K
D
M
T
L
K
N
R
I
V
M
S
P
M
C
M
Y
S
S
H
E
K
D
G
K
-
L
T
-
P
F
H
M
A
H
Y
I
S
R
A
I
G
Q
V
G
L
I
I
V
E
A
S
A
V
N
P
Q
G
---
R
I
T
D
Q
D
L
G
I
W
S
D
E
H
I
E
G
F
A
K
L
T
E
Q
------
V
K
E
Q
G
S
K
I
G
I
Q
L
---
A
H
A
G
R
K
A
E
----------------
L
E
--------------
G
---------
D
I
F
A
P
S
A
I
--
A
F
D
E
Q
S
A
T
----
P
V
-
E
M
S
A
E
K
V
K
E
T
V
Q
E
F
K
Q
A
A
A
R
A
K
E
A
G
F
D
V
I
E
I
H
A
A
H
G
Y
L
I
H
E
F
L
S
P
L
S
N
H
R
T
D
E
Y
G
G
S
P
E
N
R
Y
R
F
L
R
E
I
I
D
E
V
K
Q
V
W
D
G
P
L
F
--
V
R
V
S
A
S
D
Y
T
-
D
-
K
G
L
D
I
A
D
H
I
G
F
A
K
W
M
K
E
Q
G
V
D
L
I
D
C
S
S
G
-----
A
L
V
H
A
D
I
N
-------
V
F
P
G
Y
Q
V
S
F
A
E
K
I
R
E
Q
A
D
M
A
T
G
A
V
G
M
I
T
D
G
S
M
A
E
E
I
L
Q
N
G
R
A
D
L
I
F
I
G
R
E
L
-----
L
R
D
P
F
F
A
------
R
T
A
A
K
Q
L
N
T
E
I
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
82.86
31%
-16
- C4 -
-
1Z41
1
NAMA_BACSU
A:
[8-329]
-------
P
I
T
I
K
D
M
T
L
K
N
R
I
V
M
S
P
M
C
M
Y
S
S
H
E
K
D
G
K
-
L
T
-
P
F
H
M
A
H
Y
I
S
R
A
I
G
Q
V
G
L
I
I
V
E
A
S
A
V
N
P
Q
G
---
R
I
T
D
Q
D
L
G
I
W
S
D
E
H
I
E
G
F
A
K
L
T
E
Q
------
V
K
E
Q
G
S
K
I
G
I
Q
L
---
A
H
A
G
R
K
A
E
----------------
L
E
--------------
G
---------
D
I
F
A
P
S
A
I
--
A
F
D
E
Q
S
A
T
----
P
V
-
E
M
S
A
E
K
V
K
E
T
V
Q
E
F
K
Q
A
A
A
R
A
K
E
A
G
F
D
V
I
E
I
H
A
A
H
G
Y
L
I
H
E
F
L
S
P
L
S
N
H
R
T
D
E
Y
G
G
S
P
E
N
R
Y
R
F
L
R
E
I
I
D
E
V
K
Q
V
W
D
G
P
L
F
--
V
R
V
S
A
S
D
Y
T
-
D
-
K
G
L
D
I
A
D
H
I
G
F
A
K
W
M
K
E
Q
G
V
D
L
I
D
C
S
S
G
-----
A
L
V
H
A
D
I
N
-------
V
F
P
G
Y
Q
V
S
F
A
E
K
I
R
E
Q
A
D
M
A
T
G
A
V
G
M
I
T
D
G
S
M
A
E
E
I
L
Q
N
G
R
A
D
L
I
F
I
G
R
E
L
-----
L
R
D
P
F
F
A
------
R
T
A
A
K
Q
L
N
T
E
I
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
101
Fugue
82.33
24%
-15
- C4 -
-
1PS9
5
FADH_ECOLI
A:
[1-671]
S
Y
P
S
L
F
A
P
L
D
L
G
F
T
T
L
K
N
R
V
L
M
G
S
M
H
T
G
L
E
E
--
Y
P
D
-
G
A
-
E
R
L
A
A
F
Y
A
E
R
A
R
H
G
V
A
L
I
V
S
G
G
I
A
P
D
L
T
G
---
V
G
M
E
G
G
A
M
L
N
D
A
S
Q
I
P
H
H
R
T
I
T
E
A
------
V
H
Q
E
G
G
K
I
A
L
Q
I
---
L
H
T
G
R
Y
S
Y
-----------------
Q
--------------
P
---------
H
L
V
A
P
S
A
L
--
Q
A
P
I
N
R
F
V
----
P
H
-
E
L
S
H
E
E
I
L
Q
L
I
D
N
F
A
R
C
A
Q
L
A
R
E
A
G
Y
D
G
V
E
V
M
G
S
E
G
Y
L
I
N
E
F
L
T
L
R
T
N
Q
R
S
D
Q
W
G
G
D
Y
R
N
R
M
R
F
A
V
E
V
V
R
A
V
R
E
R
V
G
N
D
F
I
I
I
Y
R
L
S
M
L
D
L
V
-
E
-
D
G
G
T
F
A
E
T
V
E
L
A
Q
A
I
E
A
A
G
A
T
I
I
N
T
G
I
G
W
H
E
A
R
I
P
T
--------
I
A
T
P
V
P
R
G
A
F
S
W
V
T
R
K
L
K
G
H
V
S
L
P
L
V
T
T
N
R
I
N
D
P
Q
V
A
D
D
I
L
S
R
G
D
A
D
M
V
S
M
A
R
P
F
L
A
D
A
E
L
L
S
K
A
Q
S
G
RA
D
E
I
N
T
C
I
G
C
N
Q
A
C
L
D
Q
I
F
V
G
K
V
T
S
C
L
V
N
P
R
A
C
H
E
T
K
M
P
I
L
P
A
V
Q
K
K
N
L
A
V
V
----
G
A
G
P
A
G
L
A
F
A
I
N
A
A
A
R
G
H
Q
V
T
L
F
D
AHSEIGGQ
F
N
I
A
K
Q
IPGKEE
F
Y
E
T
L
R
Y
Y
R
R
M
I
E
V
T
GVTLKLNHTVTADQLQAFD
E
T
I
L
A
S
G
I
V
P
R
TPPIDGIDHPKVLSYLDVLRDKAPVGN
K
V
A
I
I
G
CG
G
I
G
F
D
T
A
M
Y
L
S
QPGESTSQN
I
A
G
F
C
N
E
W
GIDSSLQQAGGLSPQ
G
M
Q
I
P
R
SPRQ
I
V
M
L
Q
RKASKPGQGLGKTT
G
W
I
H
R
T
T
L
L
S
R
G
V
K
M
I
P
GVSYQKIDDD
G
L
H
V
V
I
NG
E
T
Q
V
L
AVD
N
V
V
I
CA
G
Q
E
P
N
RALAQ
P
L
I
D
S
G
K
T
V
H
L
I
G
GCDVAMELD
A
R
R
A
I
A
Q
G
T
R
L
A
L
E
I
16
PsiBlast_PDB
81.60
29%
-12
- C4 -
-
3L5M
6
?
A:
[2-326]
--
S
A
L
F
E
P
Y
T
L
K
D
V
T
L
R
N
R
I
A
I
P
P
M
C
Q
Y
M
A
E
--
D
G
M
-
I
N
-
D
W
H
H
V
H
L
A
G
L
A
R
G
G
A
G
L
L
V
V
E
A
T
A
V
A
P
E
G
---
R
I
T
P
G
C
A
G
I
W
S
D
A
H
A
Q
A
F
V
P
V
V
Q
A
------
I
K
A
A
G
S
V
P
G
I
Q
I
---
A
H
A
G
R
K
A
S
ANRPW---------
E
G
D
D
--------------
H
IAADDTR
G
W
E
T
I
A
P
S
A
I
--
A
F
G
A
H
L
P
K
V
---
P
R
-
E
M
T
L
D
D
I
A
R
V
K
Q
D
F
V
D
A
A
R
R
A
R
D
A
G
F
E
W
I
E
L
H
F
A
H
G
Y
L
G
Q
S
F
F
S
E
H
S
N
K
R
T
D
A
Y
G
G
S
F
D
N
R
S
R
F
L
L
E
T
L
A
A
V
R
E
V
W
P
E
N
L
P
L
T
A
R
F
G
V
L
E
Y
D
G
R
-
D
E
Q
T
L
E
E
S
I
E
L
A
R
R
F
K
A
G
G
L
D
L
L
S
V
S
V
G
-
F
T
I
P
----------
D
T
N
I
P
W
G
P
A
F
M
G
P
I
A
E
R
V
R
R
E
A
K
L
P
V
T
S
A
W
G
F
G
T
P
Q
L
A
E
A
A
L
Q
A
N
Q
L
D
L
V
S
V
G
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
81.46
30%
-12
- C4 -
-
3L68
5
?
A:
[3-326]
---
A
L
F
E
P
Y
T
L
K
D
V
T
L
R
N
R
I
A
I
P
P
M
S
Q
Y
M
A
E
--
D
G
M
-
I
N
-
D
W
H
H
V
H
L
A
G
L
A
R
G
G
A
G
L
L
V
V
E
A
T
A
V
A
P
E
G
---
R
I
T
P
G
C
A
G
I
W
S
D
A
H
A
Q
A
F
V
P
V
V
Q
A
------
I
K
A
A
G
S
V
P
G
I
Q
I
---
A
H
A
G
R
K
A
S
ANRPW---------
E
G
D
D
--------------
H
IAADDTR
G
W
E
T
I
A
P
S
A
I
--
A
F
G
A
H
L
P
K
V
---
P
R
-
E
M
T
L
D
D
I
A
R
V
K
Q
D
F
V
D
A
A
R
R
A
R
D
A
G
F
E
W
I
E
L
H
F
A
H
G
Y
L
G
Q
S
F
F
S
E
H
S
N
K
R
T
D
A
Y
G
G
S
F
D
N
R
S
R
F
L
L
E
T
L
A
A
V
R
E
V
W
P
E
N
L
P
L
T
A
R
F
G
V
L
E
Y
D
G
R
-
D
E
Q
T
L
E
E
S
I
E
L
A
R
R
F
K
A
G
G
L
D
L
L
S
V
S
V
G
-
F
T
I
P
----------
D
T
N
I
P
W
G
P
A
F
M
G
P
I
A
E
R
V
R
R
E
A
K
L
P
V
T
S
A
W
G
F
G
T
P
Q
L
A
E
A
A
L
Q
A
N
Q
L
D
L
V
S
V
G
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
81.15
29%
-11
- C4 -
-
3N14
2
?
A:
[2-326]
--
S
A
L
F
E
P
Y
T
L
K
D
V
T
L
R
N
R
I
A
I
P
P
M
C
Q
Y
M
A
E
--
D
G
M
-
I
N
-
D
W
H
H
V
H
L
A
G
L
A
R
G
G
A
G
L
L
V
V
E
A
T
A
V
A
P
E
G
---
R
I
T
P
G
C
A
G
I
W
S
D
A
H
A
Q
A
F
V
P
V
V
Q
A
------
I
K
A
A
G
S
V
P
G
I
Q
I
---
A
H
A
G
R
K
A
S
ANRPW---------
E
G
D
D
--------------
H
IAADDTR
G
W
E
T
I
A
P
S
A
I
--
A
F
G
A
H
L
P
K
V
---
P
R
-
E
M
T
L
D
D
I
A
R
V
K
Q
D
F
V
D
A
A
R
R
A
R
D
A
G
F
E
W
I
E
L
H
F
A
H
G
Y
L
G
Q
S
F
F
S
E
H
S
N
K
R
T
D
A
Y
G
G
S
F
D
N
R
S
R
F
L
L
E
T
L
A
A
V
R
E
V
W
P
E
N
L
P
L
T
A
R
F
G
V
L
E
Y
D
G
R
-
D
E
Q
T
L
E
E
S
I
E
L
A
R
R
F
K
A
G
G
L
D
L
L
S
V
S
V
G
-
F
T
I
P
----------
D
T
N
I
P
W
G
P
A
F
M
G
P
I
A
E
R
V
R
R
E
A
K
L
P
V
T
S
A
W
G
F
G
T
P
Q
L
A
E
A
A
L
Q
A
N
Q
L
D
L
V
S
V
G
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
81.12
31%
-24
- C4 -
-
3HF3
1
?
C:
[2-313]
--
A
L
L
F
T
P
L
E
L
G
G
L
R
L
K
N
R
L
A
M
S
P
M
C
Q
Y
S
A
T
-
L
E
G
E
-
V
T
-
D
W
H
L
L
H
Y
P
T
R
A
L
G
G
V
G
L
I
L
V
E
A
T
A
V
E
P
L
G
---
R
I
S
P
Y
D
L
G
I
W
S
E
D
H
L
P
G
L
K
E
L
A
R
R
------
I
R
E
A
G
A
V
P
G
I
Q
L
---
A
H
A
G
R
K
A
G
TARPWEGG------
K
P
L
G
--------------
W
---------
R
V
V
G
P
S
P
I
--
P
F
D
E
G
----
Y
P
V
P
E
-
P
L
D
E
A
G
M
E
R
I
L
Q
A
F
V
E
G
A
R
R
A
L
R
A
G
F
Q
V
I
E
L
H
M
A
H
G
Y
L
L
S
S
F
L
S
P
L
S
N
Q
R
T
D
A
Y
G
G
S
L
E
N
R
M
R
F
P
L
Q
V
A
Q
A
V
R
E
V
V
P
R
E
L
P
L
F
V
R
V
S
A
T
D
W
G
-
E
-
G
G
W
S
L
E
D
T
L
A
F
A
R
R
L
K
E
L
G
V
D
L
L
D
C
S
S
G
G
V
V
L
-----------
R
V
R
I
P
L
A
P
G
F
Q
V
P
F
A
D
A
V
R
K
R
V
G
L
R
T
G
A
V
G
L
I
T
T
P
E
Q
A
E
T
L
L
Q
A
G
S
A
D
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
81.11
30%
-14
- C4 -
-
5CPL
2
?
A:
[2-326]
--
S
A
L
F
E
P
Y
T
L
K
D
V
T
L
R
N
R
I
A
I
P
P
M
C
Q
Y
M
A
E
--
D
G
L
-
I
N
-
D
W
H
Q
V
H
Y
A
S
M
A
R
G
G
A
G
L
L
V
V
E
A
T
A
V
A
P
E
G
---
R
I
T
P
G
C
A
G
I
W
S
D
A
H
A
Q
A
F
V
P
V
V
Q
A
------
I
K
A
A
G
S
V
P
G
I
Q
I
---
A
H
A
G
R
K
A
S
ANRPWEGDDHIGAD
D
A
R
G
--------------
W
---------
E
T
I
A
P
S
A
I
--
A
F
G
A
H
L
P
N
V
---
P
R
-
A
M
T
L
D
D
I
A
R
V
K
Q
D
F
V
D
A
A
R
R
A
R
D
A
G
F
E
W
I
E
L
H
F
A
H
G
Y
L
G
Q
S
F
F
S
E
H
S
N
K
R
T
D
A
Y
G
G
S
F
D
N
R
S
R
F
L
L
E
T
L
A
A
V
R
E
V
W
P
E
N
L
P
L
T
A
R
F
G
V
L
E
Y
D
G
R
-
D
E
Q
T
L
E
E
S
I
E
L
A
R
R
F
K
A
G
G
L
D
L
L
S
V
S
V
G
-
F
T
I
P
----------
E
T
N
I
P
W
G
P
A
F
M
G
P
I
A
E
R
V
R
R
E
A
K
L
P
V
T
S
A
W
G
F
G
T
P
Q
L
A
E
A
A
L
Q
A
N
Q
L
D
L
V
S
V
G
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
81.01
29%
-11
- C4 -
-
3N19
1
?
B:
[2-326]
--
S
A
L
F
E
P
Y
T
L
K
D
V
T
L
R
N
R
I
A
I
P
P
M
C
Q
Y
M
A
E
--
D
G
M
-
I
N
-
D
W
H
H
V
H
L
A
G
L
A
R
G
G
A
G
L
L
V
V
E
A
T
A
V
A
P
E
G
---
R
I
T
P
G
C
A
G
I
W
S
D
A
H
A
Q
A
F
V
P
V
V
Q
A
------
I
K
A
A
G
S
V
P
G
I
Q
I
---
A
H
A
G
R
K
A
S
ANRPW---------
E
G
D
D
--------------
H
IAADDTRGW
E
T
I
A
P
S
A
I
--
A
F
G
A
H
L
P
K
V
---
P
R
-
E
M
T
L
D
D
I
A
R
V
K
Q
D
F
V
D
A
A
R
R
A
R
D
A
G
F
E
W
I
E
L
H
F
A
H
G
Y
L
G
Q
S
F
F
S
E
H
S
N
K
R
T
D
A
Y
G
G
S
F
D
N
R
S
R
F
L
L
E
T
L
A
A
V
R
E
V
W
P
E
N
L
P
L
T
A
R
F
G
V
L
E
Y
D
G
R
-
D
E
Q
T
L
E
E
S
I
E
L
A
R
R
F
K
A
G
G
L
D
L
L
S
V
S
V
G
-
F
T
I
P
----------
D
T
N
I
P
W
G
P
A
F
M
G
P
I
A
E
R
V
R
R
E
A
K
L
P
V
T
S
A
W
G
F
G
T
P
Q
L
A
E
A
A
L
Q
A
N
Q
L
D
L
V
S
V
G
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
80.98
30%
-12
- C4 -
-
5CPO
2
?
A:
[2-326]
--
S
A
L
F
E
P
Y
T
L
K
D
V
T
L
R
N
R
I
A
I
P
P
M
C
Q
Y
M
A
E
--
D
G
L
-
I
N
-
D
W
H
Q
V
H
Y
A
S
M
A
R
G
G
A
G
L
L
V
V
E
A
T
A
V
A
P
E
G
---
R
I
T
P
G
C
A
G
I
W
S
D
A
H
A
Q
A
F
V
P
V
V
Q
A
------
I
K
A
A
G
S
V
P
G
I
Q
I
---
A
H
A
G
R
K
A
S
ANRPWEGDDHIGAD
D
A
R
G
--------------
W
---------
E
T
I
A
P
S
A
I
--
A
F
G
A
H
L
P
N
V
---
P
R
-
A
M
T
L
D
D
I
A
R
V
K
Q
D
F
V
D
A
A
R
R
A
R
D
A
G
F
E
W
I
E
L
H
F
A
H
G
Y
L
G
Q
S
F
F
S
E
H
S
N
K
R
T
D
A
Y
G
G
S
F
D
N
R
S
R
F
L
L
E
T
L
A
A
V
R
E
V
W
P
E
N
L
P
L
T
A
R
F
G
V
L
E
Y
D
G
R
-
D
E
Q
T
L
E
E
S
I
E
L
A
R
R
F
K
A
G
G
L
D
L
L
S
V
S
V
G
-
F
T
I
P
----------
E
T
N
I
P
W
G
P
A
F
M
G
P
I
A
E
R
V
R
R
E
A
K
L
P
V
T
S
A
W
G
F
G
T
P
Q
L
A
E
A
A
L
Q
A
N
Q
L
D
L
V
S
V
G
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
89
PsiBlast_CBE
40.49
32%
60
- C4 -
-
4RNW
7
OYE1_SACPS
B:
[109-329]
--
T
N
L
F
K
P
I
K
I
G
N
N
E
L
L
H
R
A
V
I
P
P
L
T
R
M
R
A
L
-
H
P
G
N
I
P
N
R
D
W
A
V
E
Y
Y
T
Q
R
A
Q
R
P
G
T
M
I
I
T
E
G
A
F
I
S
P
Q
A
GGY
D
N
A
P
G
V
W
------
S
E
E
Q
M
V
E
W
T
K
I
F
N
A
I
H
E
K
K
S
F
V
W
V
Q
L
W
V
L
G
WA
A
F
P
D
N
L
A
R
--------------
D
G
L
R
--------------
Y
---------
D
S
A
S
D
N
V
F
MD
A
E
Q
E
A
K
A
K
K
A
N
N
P
Q
H
S
L
T
K
D
E
I
K
Q
Y
I
K
E
Y
V
Q
A
A
K
N
S
I
A
A
G
A
D
G
V
E
I
H
S
A
N
G
Y
L
L
N
Q
F
L
D
P
H
S
N
T
R
T
D
E
Y
G
G
S
I
E
N
R
A
R
F
T
L
E
V
V
D
A
L
V
E
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------