@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 : bsu17230: (2016-06-27 )
MEKLMFHPHGKEFHHNPFSVLGRFREEEPIHRFELKRFGATYPAWLITRYDDCMAFLKDNRITRDVKNVMNQEQIKMLNVSEDIDFVSDHMLAKDTPDHTRLRSLVHQAFTPRTIENLRGSIEQIAEQLLDEMEKENKADIMKSFASPLPFIVISELMGIPKEDRSQFQIWTNAMVDTSEGNRELTNQALREFKDYIAKLIHDRRIKPKDDLISKLVHAEENGSKLSEKELYSMLFLLVVAGLETTVNLLGSGTLALLQHKKECEKLKQQPEMIATAVEELLRYTSPVVMMANRWAIEDFTYKGHSIKRGDMIFIGIGSANRDPNFFENPEILNINRSPNRHISFGFGIHFCLGAPLARLEGHIAFKALLKRFPDIELAVAPDDIQWRKNVFLRGLESLPVSLSK
Atome Classification :
(62 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...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MEK
L
M
FHPHGKEFHH
N
P
F
S
V
L
G
R
FREEEP
I
H
R
F
E
L
K
R
FGATY
P
A
W
L
I
T
R
Y
D
D
C
M
A
F
L
KDNR
I
T
R
-----
D
V
K
--
N
VM
N
Q
E
-
Q
I
K
-
M
---LNVSE
D
I
-
D
F
V
S
DHMLAKDTP
D
H
T
R
L
R
S
L
V
H
QAFTP
R
T
I
E
N
L
R
G
S
I
E
Q
I
A
E
Q
L
L
D
E
M
--
E
KE
N
-
K
-
A
D
I
M
K
S
F
ASP
L
P
F
I
V
I
S
E
L
MGI
P
K
E
DRS
Q
F
Q
I
W
T
N
A
M
V
DTSEG
N
R
E
L
T
N
Q
A
L
R
E
F
K
D
--------
Y
I
A
K
L
I
HDRRIK
P
K
D
D
L
I
S
K
L
V
H-AEE-NG-SKL
S
E
K
E
L
Y
S
M
L
F
L
L
V
V
AG
L
E
T
T
V
N
L
LG
S
G
T
L
A
L
L
Q
H
K
K
E
C
E
K
L
K
QQ
P
E
M
I
A
T
A
V
E
E
L
L
R
YTS-
P
V
V
M
M
A-N--RWAIEDFTYKGHSIKRG
D
M
I
F
I
GIGSANRDPNFFENP
E
I
L
N
INRSPNR
H
I
S
F
G
F
G
I
H
F
CLGA
P
L
A
R
L
E
G
H
I
A
F
K
A
L
L
K
RFPD
I
E
-
L
A
VAPD
D
I
Q
W
R
K
N
V
F
L
R
G
L
E
SLPVSLSK
77
PsiBlast_CBE
93.41
37%
-129
- C6 -
1EUP
3
CPXJ_SACEN
A:
[11-401]
------------
F
H
V
D
W
Y
S
T
Y
A
E
L
R
E
T
A
P
V
T
--
P
V
R
F
L
G
Q
D
--
A
W
L
V
T
G
Y
D
E
A
K
A
A
L
S
D
L
R
L
S
S
-----
D
P
K
--
K
K
Y
P
G
V
-
E
V
E
-
F
PAY
L
G
F
P
E
D
V
R
N
Y
F
A
T
N
M
G
T
S
D
P
P
T
H
T
R
L
R
K
L
V
S
Q
E
F
T
V
R
R
V
E
A
M
R
P
R
V
E
Q
I
T
A
E
L
L
D
E
V
--
G
D
S
G
-
V
-
V
D
I
V
D
R
F
A
H
P
L
P
I
K
V
I
C
E
L
L
G
V
D
E
A
A
R
G
A
F
G
R
W
S
S
E
I
L
V
M
D
P
E
R
A
E
Q
R
G
Q
A
A
R
E
V
V
N
--------
F
I
L
D
L
V
E
R
R
R
T
E
P
G
D
D
L
L
S
A
L
I
S
-
V
Q
D
-
D
D
D
G
R
L
S
A
D
E
L
T
S
I
A
L
V
L
L
L
A
G
F
E
A
S
V
S
L
I
G
I
G
T
Y
L
L
L
T
H
P
D
Q
L
A
L
V
R
A
D
P
S
A
L
P
N
A
V
E
E
I
L
R
Y
I
A
-
P
P
-
E
T
T
-
T
--
R
F
A
A
E
E
V
E
I
G
G
V
A
I
P
Q
Y
S
T
V
L
V
A
N
G
A
A
N
R
D
P
S
Q
F
P
D
P
H
R
F
D
V
T
R
D
T
R
G
H
L
S
F
G
Q
G
I
H
F
C
M
G
R
P
L
A
K
L
E
G
E
V
A
L
R
A
L
F
G
R
F
P
A
L
S
-
L
G
I
D
A
D
D
V
V
W
R
R
S
L
L
L
R
G
I
D
H
L
P
V
R
L
--
79
PsiBlast_CBE
93.40
37%
-129
- C6 -
1JIP
2
CPXJ_SACEN
A:
[11-401]
------------
F
H
V
D
W
Y
R
T
Y
A
E
L
R
E
T
A
P
V
T
--
P
V
R
F
L
G
Q
D
--
A
W
L
V
T
G
Y
D
E
A
K
A
A
L
S
D
L
R
L
S
S
-----
D
P
K
--
K
K
Y
P
G
V
-
E
V
E
-
F
PAY
L
G
F
P
E
D
V
R
N
Y
F
A
T
N
M
G
T
S
D
P
P
T
H
T
R
L
R
K
L
V
S
Q
E
F
T
V
R
R
V
E
A
M
R
P
R
V
E
Q
I
T
A
E
L
L
D
E
V
--
G
D
S
G
-
V
-
V
D
I
V
D
R
F
A
H
P
L
P
I
K
V
I
C
E
L
L
G
V
D
E
K
Y
R
G
E
F
G
R
W
S
S
E
I
L
V
M
D
P
E
R
A
E
Q
R
G
Q
A
A
R
E
V
V
N
--------
F
I
L
D
L
V
E
R
R
R
T
E
P
G
D
D
L
L
S
A
L
I
R
-
V
Q
D
-
D
D
D
G
R
L
S
A
D
E
L
T
S
I
A
L
V
L
L
L
A
G
F
E
S
S
V
S
L
I
G
I
G
T
Y
L
L
L
T
H
P
D
Q
L
A
L
V
R
R
D
P
S
A
L
P
N
A
V
E
E
I
L
R
Y
I
A
-
P
P
-
E
T
T
-
T
--
R
F
A
A
E
E
V
E
I
G
G
V
A
I
P
Q
Y
S
T
V
L
V
A
N
G
A
A
N
R
D
P
K
Q
F
P
D
P
H
R
F
D
V
T
R
D
T
R
G
H
L
S
F
G
Q
G
I
H
F
C
M
G
R
P
L
A
K
L
E
G
E
V
A
L
R
A
L
F
G
R
F
P
A
L
S
-
L
G
I
D
A
D
D
V
V
W
R
R
S
L
L
L
R
G
I
D
H
L
P
V
R
L
--
76
PsiBlast_CBE
93.40
37%
-132
- C6 -
1JIN
2
CPXJ_SACEN
A:
[11-401]
------------
F
H
V
D
W
Y
S
T
Y
A
E
L
R
E
T
A
P
V
T
--
P
V
R
F
L
G
Q
D
--
A
W
L
V
T
G
Y
D
E
A
K
A
A
L
S
D
L
R
L
S
S
-----
D
P
K
--
K
K
Y
P
G
V
-
E
V
E
-
F
PAY
L
G
F
P
E
D
V
R
N
Y
F
A
T
N
M
G
T
S
D
P
P
T
H
T
R
L
R
K
L
V
S
Q
E
F
T
V
R
R
V
E
A
M
R
P
R
V
E
Q
I
T
A
E
L
L
D
E
V
--
G
D
S
G
-
V
-
V
D
I
V
D
R
F
A
H
P
L
P
I
K
V
I
C
E
L
L
G
V
D
E
A
A
R
G
A
F
G
R
W
S
S
E
I
L
V
M
D
P
E
R
A
E
Q
R
G
Q
A
A
R
E
V
V
N
--------
F
I
L
D
L
V
E
R
R
R
T
E
P
G
D
D
L
L
S
A
L
I
S
-
V
Q
D
-
D
D
D
G
R
L
S
A
D
E
L
T
S
I
A
L
V
L
L
L
A
G
F
E
A
S
V
S
L
I
G
I
G
T
Y
L
L
L
T
H
P
D
Q
L
A
L
V
R
A
D
P
S
A
L
P
N
A
V
E
E
I
L
R
Y
I
A
-
P
P
-
E
T
T
-
T
--
R
F
A
A
E
E
V
E
I
G
G
V
A
I
P
Q
Y
S
T
V
L
V
A
N
G
A
A
N
R
D
P
S
Q
F
P
D
P
H
R
F
D
V
T
R
D
T
R
G
H
L
S
F
G
Q
G
I
H
F
C
M
G
R
P
L
A
K
L
E
G
E
V
A
L
R
A
L
F
G
R
F
P
A
L
S
-
L
G
I
D
A
D
D
V
V
W
R
R
S
L
L
L
R
G
I
D
H
L
P
V
R
L
--
6
PsiBlast_PDB
93.39
39%
-127
- C6 -
2BVJ
3
PIKC_STRVZ
A:
[41-423]
---------
G
Q
D
F
A
A
D
P
Y
P
T
Y
A
R
L
R
A
E
G
P
A
H
R
V
---
R
T
P
E
G
D
E
V
W
L
V
V
G
Y
D
R
A
R
A
V
L
A
D
P
R
F
S
K
-----
D
W
R
--
N
S
T
T
P
------------
L
T
E
A
E
-
A
A
L
N
H
N
M
L
E
S
D
P
P
R
H
T
R
L
R
K
L
V
A
R
E
F
T
M
R
R
V
E
L
L
R
P
R
V
Q
E
I
V
D
G
L
V
D
A
M
L
A
A
P
D
G
-
R
-
A
D
L
M
E
S
L
A
W
P
L
P
I
T
V
I
S
E
L
L
G
V
P
E
P
D
R
A
A
F
R
V
W
T
D
A
F
V
F
P
D
D
P
A
Q
A
Q
T
--
A
M
A
E
M
S
G
--------
Y
L
S
R
L
I
D
S
K
R
G
Q
D
G
E
D
L
L
S
A
L
V
R
T
S
D
E
-
D
G
-
S
R
L
T
S
E
E
L
L
G
M
A
H
I
L
L
V
A
G
H
E
T
T
V
N
L
I
A
N
G
M
Y
A
L
L
S
H
P
D
Q
L
A
A
L
R
A
D
M
T
L
L
D
G
A
V
E
E
M
L
R
Y
E
G
-
P
V
E
S
A
T
-
Y
--
R
F
P
V
E
P
V
D
L
D
G
T
V
I
P
A
G
D
T
V
L
V
V
L
A
D
A
H
R
T
P
E
R
F
P
D
P
H
R
F
D
I
R
R
D
T
A
G
H
L
A
F
G
H
G
I
H
F
C
I
G
A
P
L
A
R
L
E
A
R
I
A
V
R
A
L
L
E
R
C
P
D
L
A
-
L
D
V
S
P
G
E
L
V
W
Y
P
N
P
M
I
R
G
L
K
A
L
P
I
----
40
PsiBlast_CBE
93.23
39%
-127
- C6 -
4BF4
3
PIKC_STRVZ
E:
[41-423]
---------
G
Q
D
F
A
A
D
P
Y
P
T
Y
A
R
L
R
A
E
G
P
A
H
R
V
---
R
T
P
E
G
N
E
V
W
L
V
V
G
Y
D
R
A
R
A
V
L
A
D
P
R
F
S
K
-----
D
W
R
--
N
S
T
T
P
------------
L
T
E
A
E
-
A
A
L
N
H
N
M
L
E
S
D
P
P
R
H
T
R
L
R
K
L
V
A
R
E
F
T
M
R
R
V
E
L
L
R
P
R
V
Q
E
I
V
D
G
L
V
D
A
M
LA
A
P
D
G
-
R
-
A
D
L
M
E
S
L
A
W
P
L
P
I
T
V
I
S
E
L
L
G
V
P
E
P
D
R
A
A
F
R
V
W
T
D
A
F
V
F
P
D
D
P
A
Q
A
Q
T
--
A
M
A
E
M
S
G
--------
Y
L
S
R
L
I
D
S
K
R
G
Q
D
G
E
D
L
L
S
A
L
V
R
T
S
D
E
-
D
G
-
S
R
L
T
S
E
E
L
L
G
M
A
H
I
L
L
V
A
G
H
E
T
T
V
N
L
I
A
N
G
M
Y
A
L
L
S
H
P
D
Q
L
A
A
L
R
A
D
M
T
L
L
D
G
A
V
E
E
M
L
R
Y
E
G
-
P
V
E
S
A
T
-
Y
--
R
F
P
V
E
P
V
D
L
D
G
T
V
I
P
A
G
D
T
V
L
V
V
L
A
D
A
H
R
T
P
E
R
F
P
D
P
H
R
F
D
I
R
R
D
T
A
G
H
L
A
F
G
H
G
I
H
F
C
I
G
A
P
L
A
R
L
E
A
R
I
A
V
R
A
L
L
E
R
C
P
D
L
A
-
L
D
V
S
P
G
E
L
V
W
Y
P
N
P
M
I
R
G
L
K
A
L
P
I
----
16
PsiBlast_PDB
93.22
39%
-126
- C6 -
3ZPI
13
PIKC_STRVZ
A:
[41-423]
---------
G
Q
D
F
A
A
D
P
Y
P
T
Y
A
R
L
R
A
E
G
P
A
H
R
V
---
R
T
P
E
G
N
E
V
W
L
V
V
G
Y
D
R
A
R
A
V
L
A
D
P
R
F
S
K
-----
D
W
R
--
N
S
T
T
P
------------
L
T
E
A
E
-
A
A
L
N
H
N
M
L
E
S
D
P
P
R
H
T
R
L
R
K
L
V
A
R
E
F
T
M
R
R
V
E
L
L
R
P
R
V
Q
E
I
V
D
G
L
V
D
A
M
L
A
A
P
D
G
-
R
-
A
D
L
M
E
S
L
A
W
P
L
P
I
T
V
I
S
E
L
L
G
V
P
E
P
D
R
A
A
F
R
V
W
T
D
A
F
V
F
P
D
D
P
A
Q
A
Q
T
--
A
M
A
E
M
S
G
--------
Y
L
S
R
L
I
D
S
K
R
G
Q
D
G
E
D
L
L
S
A
L
V
R
T
S
D
E
-
D
G
-
S
R
L
T
S
E
E
L
L
G
M
A
H
I
L
L
V
A
G
H
E
T
T
V
N
L
I
A
N
G
M
Y
A
L
L
S
H
P
D
Q
L
A
A
L
R
A
D
M
T
L
L
D
G
A
V
E
E
M
L
R
Y
E
G
-
P
V
E
S
A
T
-
Y
--
R
F
P
V
E
P
V
D
L
D
G
T
V
I
P
A
G
D
T
V
L
V
V
L
A
D
A
H
R
T
P
E
R
F
P
D
P
H
R
F
D
I
R
R
D
T
A
G
H
L
A
F
G
H
G
I
H
F
C
I
G
A
P
L
A
R
L
E
A
R
I
A
V
R
A
L
L
E
R
C
P
D
L
A
-
L
D
V
S
P
G
E
L
V
W
Y
P
N
P
M
I
R
G
L
K
A
L
P
I
----
47
PsiBlast_CBE
93.15
39%
-125
- C6 -
2VZM
2
PIKC_STRVZ
B:
[41-423]
---------
G
Q
D
F
A
A
D
P
Y
P
T
Y
A
R
L
R
A
E
G
P
A
H
R
V
---
R
T
P
E
G
N
E
V
W
L
V
V
G
Y
D
R
A
R
A
V
L
A
D
P
R
F
S
K
-----
D
W
R
--
N
S
T
T
P
------------
L
T
E
A
E
-
A
A
L
N
H
N
M
L
E
S
D
P
P
R
H
T
R
L
R
K
L
V
A
R
E
F
T
M
R
R
V
E
L
L
R
P
R
V
Q
E
I
V
D
G
L
V
D
A
M
L
A
A
P
D
G
-
R
-
A
D
L
M
E
S
L
A
W
P
L
P
I
T
V
I
S
E
L
L
G
V
P
E
P
D
R
A
A
F
R
V
W
T
D
A
F
V
F
P
D
D
P
A
Q
A
Q
T
--
A
M
A
E
M
S
G
--------
Y
L
S
R
L
I
D
S
K
R
G
Q
D
G
E
D
L
L
S
A
L
V
R
T
S
D
E
-
D
G
-
S
R
L
T
S
E
E
L
L
G
M
A
H
I
L
L
V
A
G
H
E
T
T
V
N
L
I
A
N
G
M
Y
A
L
L
S
H
P
D
Q
L
A
A
L
R
A
D
M
T
L
L
D
G
A
V
E
E
M
L
R
Y
E
G
-
P
V
E
S
A
T
-
Y
--
R
F
P
V
E
P
V
D
L
D
G
T
V
I
P
A
G
D
T
V
L
V
V
L
A
D
A
H
R
T
P
E
R
F
P
D
P
H
R
F
D
I
R
R
D
T
A
G
H
L
A
F
G
H
G
I
H
F
C
I
G
A
P
L
A
R
L
E
A
R
I
A
V
R
A
L
L
E
R
C
P
D
L
A
-
L
D
V
S
P
G
E
L
V
W
Y
P
N
P
M
I
R
G
L
K
A
L
P
I
----
80
PsiBlast_CBE
93.10
37%
-123
- C6 -
1Z8P
3
CPXJ_SACEN
A:
[12-402]
------------
F
H
V
D
W
Y
R
T
Y
A
E
L
R
E
T
A
P
V
T
--
P
V
R
F
L
G
Q
D
--
A
W
L
V
T
G
Y
D
E
A
K
A
A
L
S
D
L
R
L
S
S
-----
D
P
K
--
K
K
Y
P
G
V
-
E
V
E
-
F
PAY
L
G
F
P
E
D
V
R
N
Y
F
A
T
N
M
G
T
S
D
P
P
T
H
T
R
L
R
K
L
V
S
Q
E
F
T
V
R
R
V
E
A
M
R
P
R
V
E
Q
I
T
A
E
L
L
D
E
V
--
G
D
S
G
-
V
-
V
D
I
V
D
R
F
A
H
P
L
P
I
K
V
I
C
E
L
L
G
V
D
E
K
Y
R
G
E
F
G
R
W
S
S
E
I
L
V
M
D
P
E
R
A
E
Q
R
G
Q
A
A
R
E
V
V
N
--------
F
I
L
D
L
V
E
R
R
R
T
E
P
G
D
D
L
L
S
A
L
I
R
-
V
Q
D
-
D
D
D
G
R
L
S
A
D
E
L
T
S
I
A
L
V
L
L
L
A
G
F
E
S
S
V
S
L
I
G
I
G
T
Y
L
L
L
T
H
P
D
Q
L
A
L
V
R
R
D
P
S
A
L
P
N
A
V
E
E
I
L
R
Y
I
A
-
P
P
-
E
T
T
-
T
--
R
F
A
A
E
E
V
E
I
G
G
V
A
I
P
Q
Y
S
T
V
L
V
A
N
G
A
A
N
R
D
P
K
Q
F
P
D
P
H
R
F
D
V
T
R
D
T
R
G
H
L
S
F
G
Q
G
I
H
F
C
M
G
R
P
L
A
K
L
E
G
E
V
A
L
R
A
L
F
G
R
F
P
A
L
S
-
L
G
I
D
A
D
D
V
V
W
R
R
S
L
L
L
R
G
I
D
H
L
P
V
R
L
--
139
HHSearch
93.07
37%
-115
- C6 -
1Z8O
3
CPXJ_SACEN
A:
[6-404]
------
D
L
E
S
D
S
F
H
V
D
W
Y
R
T
Y
A
E
L
R
E
T
A
P
V
T
P
V
R
F
L
----
G
Q
D
A
W
L
V
T
G
Y
D
E
A
K
A
A
L
S
D
L
R
L
S
S
-----
D
P
K
KK
Y
P
G
V
E
V
E
F
P
A
Y
L
---
G
F
P
E
D
V
R
-
N
Y
F
A
T
N
M
G
T
S
D
P
P
T
H
T
R
L
R
K
L
V
S
Q
E
F
T
V
R
R
V
E
A
M
R
P
R
V
E
Q
I
T
A
E
L
L
D
E
V
--
G
D
S
G
-
V
-
V
D
I
V
D
R
F
A
H
P
L
P
I
K
V
I
C
E
L
L
G
V
D
E
K
Y
R
G
E
F
G
R
W
S
S
E
I
L
V
M
D
P
E
R
A
E
Q
R
G
Q
A
A
R
E
V
V
N
--------
F
I
L
D
L
V
E
R
R
R
T
E
P
G
D
D
L
L
S
A
L
I
R
-
V
Q
D
D
D
D
-
G
R
L
S
A
D
E
L
T
S
I
A
L
V
L
L
L
A
G
F
E
A
S
V
S
L
I
G
I
G
T
Y
L
L
L
T
H
P
D
Q
L
A
L
V
R
R
D
P
S
A
L
P
N
A
V
E
E
I
L
R
Y
I
A
-
P
P
E
T
-
T
-
T
--
R
F
A
A
E
E
V
E
I
G
G
V
A
I
P
Q
Y
S
T
V
L
V
A
N
G
A
A
N
R
D
P
K
Q
F
P
D
P
H
R
F
D
V
T
R
D
T
R
G
H
L
S
F
G
Q
G
I
H
F
C
M
G
R
P
L
A
K
L
E
G
E
V
A
L
R
A
L
F
G
R
F
P
A
L
S
-
L
G
I
D
A
D
D
V
V
W
R
R
S
L
L
L
R
G
I
D
H
L
P
V
R
L
D
G
4
PsiBlast_PDB
93.05
39%
-130
- C6 -
2WHW
2
PIKC_STRVZ
A:
[41-423]
---------
G
Q
D
F
A
A
D
P
Y
P
T
Y
A
R
L
R
A
E
G
P
A
H
R
V
---
R
T
P
E
G
N
E
V
W
L
V
V
G
Y
D
R
A
R
A
V
L
A
D
P
R
F
S
K
-----
D
W
R
--
N
S
T
T
P
------------
L
T
E
A
E
-
A
A
L
N
H
N
M
L
E
S
D
P
P
R
H
T
R
L
R
K
L
V
A
R
E
F
T
M
R
R
V
E
L
L
R
P
R
V
Q
E
I
V
D
G
L
V
D
A
M
L
A
A
P
D
G
-
R
-
A
D
L
M
E
S
L
A
W
P
L
P
I
T
V
I
S
E
L
L
G
V
P
E
P
D
R
A
A
F
R
V
W
T
D
A
F
V
F
P
D
D
P
A
Q
A
Q
T
--
A
M
A
E
M
S
G
--------
Y
L
S
R
L
I
D
S
K
R
G
Q
D
G
E
D
L
L
S
A
L
V
R
T
S
D
E
-
D
G
-
S
R
L
T
S
E
E
L
L
G
M
A
H
I
L
L
V
A
G
H
E
T
T
V
N
L
I
A
N
G
M
Y
A
L
L
S
H
P
D
Q
L
A
A
L
R
A
D
M
T
L
L
D
G
A
V
E
E
M
L
R
Y
E
G
-
P
V
E
S
A
T
-
Y
--
R
F
P
V
E
P
V
D
L
D
G
T
V
I
P
A
G
D
T
V
L
V
V
L
A
D
A
H
R
T
P
E
R
F
P
D
P
H
R
F
D
I
R
R
D
T
A
G
H
L
A
F
G
H
G
I
H
F
C
I
G
A
P
L
A
R
L
E
A
R
I
A
V
R
A
L
L
E
R
C
P
D
L
A
-
L
D
V
S
P
G
E
L
V
W
Y
P
N
P
M
I
R
G
L
K
A
L
P
I
----
13
PsiBlast_PDB
93.01
39%
-129
- C6 -
2VZM
2
PIKC_STRVZ
A:
[41-423]
---------
G
Q
D
F
A
A
D
P
Y
P
T
Y
A
R
L
R
A
E
G
P
A
H
R
V
---
R
T
P
E
G
N
E
V
W
L
V
V
G
Y
D
R
A
R
A
V
L
A
D
P
R
F
S
K
-----
D
W
R
--
N
S
T
T
P
------------
L
T
E
A
E
-
A
A
L
N
H
N
M
L
E
S
D
P
P
R
H
T
R
L
R
K
L
V
A
R
E
F
T
M
R
R
V
E
L
L
R
P
R
V
Q
E
I
V
D
G
L
V
D
A
M
L
A
A
P
D
G
-
R
-
A
D
L
M
E
S
L
A
W
P
L
P
I
T
V
I
S
E
L
L
G
V
P
E
P
D
R
A
A
F
R
V
W
T
D
A
F
V
F
P
D
D
P
A
Q
A
Q
T
--
A
M
A
E
M
S
G
--------
Y
L
S
R
L
I
D
S
K
R
G
Q
D
G
E
D
L
L
S
A
L
V
R
T
S
D
E
-
D
G
-
S
R
L
T
S
E
E
L
L
G
M
A
H
I
L
L
V
A
G
H
E
T
T
V
N
L
I
A
N
G
M
Y
A
L
L
S
H
P
D
Q
L
A
A
L
R
A
D
M
T
L
L
D
G
A
V
E
E
M
L
R
Y
E
G
-
P
V
E
S
A
T
-
Y
--
R
F
P
V
E
P
V
D
L
D
G
T
V
I
P
A
G
D
T
V
L
V
V
L
A
D
A
H
R
T
P
E
R
F
P
D
P
H
R
F
D
I
R
R
D
T
A
G
H
L
A
F
G
H
G
I
H
F
C
I
G
A
P
L
A
R
L
E
A
R
I
A
V
R
A
L
L
E
R
C
P
D
L
A
-
L
D
V
S
P
G
E
L
V
W
Y
P
N
P
M
I
R
G
L
K
A
L
P
I
----
75
PsiBlast_CBE
92.96
37%
-125
- C6 -
1OXA
2
CPXJ_SACEN
A:
[11-401]
------------
F
H
V
D
W
Y
S
T
Y
A
E
L
R
E
T
A
P
V
T
--
P
V
R
F
L
G
Q
D
--
A
W
L
V
T
G
Y
D
E
A
K
A
A
L
S
D
L
R
L
S
S
-----
D
P
K
--
K
K
Y
P
G
V
-
E
V
E
-
F
PAY
L
G
F
P
E
D
V
R
N
Y
F
A
T
N
M
G
T
S
D
P
P
T
H
T
R
L
R
K
L
V
S
Q
E
F
T
V
R
R
V
E
A
M
R
P
R
V
E
Q
I
T
A
E
L
L
D
E
V
--
G
D
S
G
-
V
-
V
D
I
V
D
R
F
A
H
P
L
P
I
K
V
I
C
E
L
L
G
V
D
E
A
A
R
G
A
F
G
R
W
S
S
E
I
L
V
M
D
P
E
R
A
E
Q
R
G
Q
A
A
R
E
V
V
N
--------
F
I
L
D
L
V
E
R
R
R
T
E
P
G
D
D
L
L
S
A
L
I
S
-
V
Q
D
-
D
D
D
G
R
L
S
A
D
E
L
T
S
I
A
L
V
L
L
L
A
G
F
E
A
S
V
S
L
I
G
I
G
T
Y
L
L
L
T
H
P
D
Q
L
A
L
V
R
A
D
P
S
A
L
P
N
A
V
E
E
I
L
R
Y
I
A
-
P
P
-
E
T
T
-
T
--
R
F
A
A
E
E
V
E
I
G
G
V
A
I
P
Q
Y
S
T
V
L
V
A
N
G
A
A
N
R
D
P
S
Q
F
P
D
P
H
R
F
D
V
T
R
D
T
R
G
H
L
S
F
G
Q
G
I
H
F
C
M
G
R
P
L
A
K
L
E
G
E
V
A
L
R
A
L
F
G
R
F
P
A
L
S
-
L
G
I
D
A
D
D
V
V
W
R
R
S
L
L
L
R
G
I
D
H
L
P
V
R
L
--
41
PsiBlast_CBE
92.89
39%
-125
- C6 -
4BF4
19
PIKC_STRVZ
D:
[41-423]
---------
G
Q
D
F
A
A
D
P
Y
P
T
Y
A
R
L
R
A
E
G
P
A
H
R
V
---
R
T
P
E
G
N
E
V
W
L
V
V
G
Y
D
R
A
R
A
V
L
A
D
P
R
F
S
K
-----
D
W
R
--
N
S
T
T
P
------------
L
T
E
A
E
-
A
A
L
N
H
N
M
L
E
S
D
P
P
R
H
T
R
L
R
K
L
V
A
R
E
F
T
M
R
R
V
E
L
L
R
P
R
V
Q
E
I
V
D
G
L
V
D
A
M
LA
A
P
D
G
-
R
-
A
D
L
M
E
S
L
A
W
P
L
P
I
T
V
I
S
E
L
L
G
V
P
E
P
D
R
A
A
F
R
V
W
T
D
A
F
V
F
P
D
D
P
A
Q
A
Q
T
--
A
M
A
E
M
S
G
--------
Y
L
S
R
L
I
D
S
K
R
G
Q
D
G
E
D
L
L
S
A
L
V
R
T
S
D
E
-
D
G
-
S
R
L
T
S
E
E
L
L
G
M
A
H
I
L
L
V
A
G
H
E
T
T
V
N
L
I
A
N
G
M
Y
A
L
L
S
H
P
D
Q
L
A
A
L
R
A
D
M
T
L
L
D
G
A
V
E
E
M
L
R
Y
E
G
-
P
V
E
S
A
T
-
Y
--
R
F
P
V
E
P
V
D
L
D
G
T
V
I
P
A
G
D
T
V
L
V
V
L
A
D
A
H
R
T
P
E
R
F
P
D
P
H
R
F
D
I
R
R
D
T
A
G
H
L
A
F
G
H
G
I
H
F
C
I
G
A
P
L
A
R
L
E
A
R
I
A
V
R
A
L
L
E
R
C
P
D
L
A
-
L
D
V
S
P
G
E
L
V
W
Y
P
N
P
M
I
R
G
L
K
A
L
P
I
----
81
PsiBlast_CBE
92.83
37%
-123
- C6 -
1Z8O
3
CPXJ_SACEN
A:
[12-402]
------------
F
H
V
D
W
Y
R
T
Y
A
E
L
R
E
T
A
P
V
T
--
P
V
R
F
L
G
Q
D
--
A
W
L
V
T
G
Y
D
E
A
K
A
A
L
S
D
L
R
L
S
S
-----
D
P
K
--
K
K
Y
P
G
V
-
E
V
E
-
F
PAY
L
G
F
P
E
D
V
R
N
Y
F
A
T
N
M
G
T
S
D
P
P
T
H
T
R
L
R
K
L
V
S
Q
E
F
T
V
R
R
V
E
A
M
R
P
R
V
E
Q
I
T
A
E
L
L
D
E
V
--
G
D
S
G
-
V
-
V
D
I
V
D
R
F
A
H
P
L
P
I
K
V
I
C
E
L
L
G
V
D
E
K
Y
R
G
E
F
G
R
W
S
S
E
I
L
V
M
D
P
E
R
A
E
Q
R
G
Q
A
A
R
E
V
V
N
--------
F
I
L
D
L
V
E
R
R
R
T
E
P
G
D
D
L
L
S
A
L
I
R
-
V
Q
D
-
D
D
D
G
R
L
S
A
D
E
L
T
S
I
A
L
V
L
L
L
A
G
F
E
A
S
V
S
L
I
G
I
G
T
Y
L
L
L
T
H
P
D
Q
L
A
L
V
R
R
D
P
S
A
L
P
N
A
V
E
E
I
L
R
Y
I
A
-
P
P
-
E
T
T
-
T
--
R
F
A
A
E
E
V
E
I
G
G
V
A
I
P
Q
Y
S
T
V
L
V
A
N
G
A
A
N
R
D
P
K
Q
F
P
D
P
H
R
F
D
V
T
R
D
T
R
G
H
L
S
F
G
Q
G
I
H
F
C
M
G
R
P
L
A
K
L
E
G
E
V
A
L
R
A
L
F
G
R
F
P
A
L
S
-
L
G
I
D
A
D
D
V
V
W
R
R
S
L
L
L
R
G
I
D
H
L
P
V
R
L
--
15
PsiBlast_PDB
92.80
39%
-124
- C6 -
3ZK5
2
PIKC_STRVZ
A:
[41-423]
---------
G
Q
D
F
A
A
D
P
Y
P
T
Y
A
R
L
R
A
E
G
P
A
H
R
V
---
R
T
P
E
G
N
E
V
W
L
V
V
G
Y
D
R
A
R
A
V
L
A
D
P
R
F
S
K
-----
D
W
R
--
N
S
T
T
P
------------
L
T
E
A
E
-
A
A
L
N
H
N
M
L
E
S
D
P
P
R
H
T
R
L
R
K
L
V
A
R
E
F
T
M
R
R
V
E
L
L
R
P
R
V
Q
E
I
V
D
G
L
V
D
A
M
L
A
A
P
D
G
-
R
-
A
D
L
M
E
S
L
A
W
P
L
P
I
T
V
I
S
E
L
L
G
V
P
E
P
D
R
A
A
F
R
V
W
T
D
A
F
V
F
P
D
D
P
A
Q
A
Q
T
--
A
M
A
E
M
S
G
--------
Y
L
S
R
L
I
D
S
K
R
G
Q
D
G
E
D
L
L
S
A
L
V
R
T
S
D
E
-
D
G
-
S
R
L
T
S
E
E
L
L
G
M
A
H
I
L
L
V
A
G
H
E
T
T
V
N
L
I
A
N
G
M
Y
A
L
L
S
H
P
D
Q
L
A
A
L
R
A
D
M
T
L
L
D
G
A
V
E
E
M
L
R
Y
E
G
-
P
V
E
S
A
T
-
Y
--
R
F
P
V
E
P
V
D
L
D
G
T
V
I
P
A
G
D
T
V
L
V
V
L
A
D
A
H
R
T
P
E
R
F
P
D
P
H
R
F
D
I
R
R
D
T
A
G
H
L
A
F
G
H
G
I
H
F
C
I
G
A
P
L
A
R
L
E
A
R
I
A
V
R
A
L
L
E
R
C
P
D
L
A
-
L
D
V
S
P
G
E
L
V
W
Y
P
N
P
M
I
R
G
L
K
A
L
P
I
----
26
PsiBlast_CBE
92.77
39%
-126
- C6 -
2C6H
3
PIKC_STRVZ
B:
[41-423]
---------
G
Q
D
F
A
A
D
P
Y
P
T
Y
A
R
L
R
A
E
G
P
A
H
R
V
---
R
T
P
E
G
D
E
V
W
L
V
V
G
Y
D
R
A
R
A
V
L
A
D
P
R
F
S
K
-----
D
W
R
--
N
S
T
T
P
------------
L
T
E
A
E
-
A
A
L
N
H
N
M
L
E
S
D
P
P
R
H
T
R
L
R
K
L
V
A
R
E
F
T
M
R
R
V
E
L
L
R
P
R
V
Q
E
I
V
D
G
L
V
D
A
M
LA
A
P
D
G
-
R
-
A
D
L
M
E
S
L
A
W
P
L
P
I
T
V
I
S
E
L
L
G
V
P
E
P
D
R
A
A
F
R
V
W
T
D
A
F
V
F
P
D
D
P
A
Q
A
Q
T
--
A
M
A
E
M
S
G
--------
Y
L
S
R
L
I
D
S
K
R
G
Q
D
G
E
D
L
L
S
A
L
V
R
T
S
D
E
-
D
G
-
S
R
L
T
S
E
E
L
L
G
M
A
H
I
L
L
V
A
G
H
E
T
T
V
N
L
I
A
N
G
M
Y
A
L
L
S
H
P
D
Q
L
A
A
L
R
A
D
M
T
L
L
D
G
A
V
E
E
M
L
R
Y
E
G
-
P
V
E
S
A
T
-
Y
--
R
F
P
V
E
P
V
D
L
D
G
T
V
I
P
A
G
D
T
V
L
V
V
L
A
D
A
H
R
T
P
E
R
F
P
D
P
H
R
F
D
I
R
R
D
T
A
G
H
L
A
F
G
H
G
I
H
F
C
I
G
A
P
L
A
R
L
E
A
R
I
A
V
R
A
L
L
E
R
C
P
D
L
A
-
L
D
V
S
P
G
E
L
V
W
Y
P
N
P
M
I
R
G
L
K
A
L
P
I
----
78
PsiBlast_CBE
92.76
37%
-124
- C6 -
1EGY
3
CPXJ_SACEN
A:
[11-401]
------------
F
H
V
D
W
Y
S
T
Y
A
E
L
R
E
T
A
P
V
T
--
P
V
R
F
L
G
Q
D
--
A
W
L
V
T
G
Y
D
E
A
K
A
A
L
S
D
L
R
L
S
S
-----
D
P
K
--
K
K
Y
P
G
V
-
E
V
E
-
F
PAY
L
G
F
P
E
D
V
R
N
Y
F
A
T
N
M
G
T
S
D
P
P
T
H
T
R
L
R
K
L
V
S
Q
E
F
T
V
R
R
V
E
A
M
R
P
R
V
E
Q
I
T
A
E
L
L
D
E
V
--
G
D
S
G
-
V
-
V
D
I
V
D
R
F
A
H
P
L
P
I
K
V
I
C
E
L
L
G
V
D
E
A
A
R
G
A
F
G
R
W
S
S
E
I
L
V
M
D
P
E
R
A
E
Q
R
G
Q
A
A
R
E
V
V
N
--------
F
I
L
D
L
V
E
R
R
R
T
E
P
G
D
D
L
L
S
A
L
I
S
-
V
Q
D
-
D
D
D
G
R
L
S
A
D
E
L
T
S
I
A
L
V
L
L
L
A
G
F
E
A
S
V
S
L
I
G
I
G
T
Y
L
L
L
T
H
P
D
Q
L
A
L
V
R
A
D
P
S
A
L
P
N
A
V
E
E
I
L
R
Y
I
A
-
P
P
-
E
T
T
-
T
--
R
F
A
A
E
E
V
E
I
G
G
V
A
I
P
Q
Y
S
T
V
L
V
A
N
G
A
A
N
R
D
P
S
Q
F
P
D
P
H
R
F
D
V
T
R
D
T
R
G
H
L
S
F
G
Q
G
I
H
F
C
M
G
R
P
L
A
K
L
E
G
E
V
A
L
R
A
L
F
G
R
F
P
A
L
S
-
L
G
I
D
A
D
D
V
V
W
R
R
S
L
L
L
R
G
I
D
H
L
P
V
R
L
--
82
PsiBlast_CBE
92.74
37%
-122
- C6 -
1JIO
2
CPXJ_SACEN
A:
[11-401]
------------
F
H
V
D
W
Y
R
T
Y
A
E
L
R
E
T
A
P
V
T
--
P
V
R
F
L
G
Q
D
--
A
W
L
V
T
G
Y
D
E
A
K
A
A
L
S
D
L
R
L
S
S
-----
D
P
K
--
K
K
Y
P
G
V
-
E
V
E
-
F
PAY
L
G
F
P
E
D
V
R
N
Y
F
A
T
N
M
G
T
S
D
P
P
T
H
T
R
L
R
K
L
V
S
Q
E
F
T
V
R
R
V
E
A
M
R
P
R
V
E
Q
I
T
A
E
L
L
D
E
V
--
G
D
S
G
-
V
-
V
D
I
V
D
R
F
A
H
P
L
P
I
K
V
I
C
E
L
L
G
V
D
E
K
Y
R
G
E
F
G
R
W
S
S
E
I
L
V
M
D
P
E
R
A
E
Q
R
G
Q
A
A
R
E
V
V
N
--------
F
I
L
D
L
V
E
R
R
R
T
E
P
G
D
D
L
L
S
A
L
I
R
-
V
Q
D
-
D
D
D
G
R
L
S
A
D
E
L
T
S
I
A
L
V
L
L
L
A
G
F
E
A
S
V
S
L
I
G
I
G
T
Y
L
L
L
T
H
P
D
Q
L
A
L
V
R
R
D
P
S
A
L
P
N
A
V
E
E
I
L
R
Y
I
A
-
P
P
-
E
T
T
-
T
--
R
F
A
A
E
E
V
E
I
G
G
V
A
I
P
Q
Y
S
T
V
L
V
A
N
G
A
A
N
R
D
P
K
Q
F
P
D
P
H
R
F
D
V
T
R
D
T
R
G
H
L
S
F
G
Q
G
I
H
F
C
M
G
R
P
L
A
K
L
E
G
E
V
A
L
R
A
L
F
G
R
F
P
A
L
S
-
L
G
I
D
A
D
D
V
V
W
R
R
S
L
L
L
R
G
I
D
H
L
P
V
R
L
--