@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 : spr0001: (2017-12-13 )
MKEKQFWNRILEFAQERLTRSMYDFYAIQAELIKVEENVATIFLPRSEMEMVWEKQLKDIIVVAGFEIYDAEITPHYIFTKPQDTTSSQVEEATNLTLYDYSPKLVSIPYSDTGLKEKYTFDNFIQGDGNVWAVSAALAVSEDLALTYNPLFIYGGPGLGKTHLLNAIGNEILKNIPNARVKYIPAESFINDFLDHLRLGEMEKFKKTYRSLDLLLIDDIQSLSGKKVATQEEFFNTFNALHDKQKQIVLTSDRSPKHLEGLEERLVTRFSWGLTQTITPPDFETRIAILQSKTEHLGYNFQSDTLEYLAGQFDSNVRDLEGAINDITLIARVKKIKDITIDIAAEAIRARKQDVSQMLVIPIDKIQTEVGNFYGVSIKEMKGSRRLQNIVLARQVAMYLSRELTDNSLPKIGKEFGGKDHTTVIHAHAKIKSLIDQDDNLRLEIESIKKKIK
Atome Classification :
(20 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.......-420.......430.......440.......450.
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
K
E
K
Q
F
W
N
R
I
L
E
F
A
Q
E
R
L
T
R
S
M
Y
D
F
Y
A
I
Q
A
E
L
I
K
V
EEN
V
A
T
I
F
LP
R
S
E
M
E
M
V
W
E
K
Q
L
K
D
I
I
V
V
A
G
F
E
I
Y
DAEITP
H
Y
I
F
TKPQDT
T
S
S
Q
V
E
EAT
N
L
T
L
Y
DYSP
K
L
V
S
IPYSDTGLKEKYTFDNFIQGDG
N
V
W
A
V
S
A
-
A
L
AVSE
D
L
A
L
T
YN
P
L
F
I
YGGPGL
G
K
T
H
L
L
N
A
I
---
G
N
E
I
L
K
NIPNA
R
V
K
Y
I
P
A
E
S
F
I
N
D
F
L
D
HLRL
G
E
M
E
K
F
K
K
T
Y
R
-SL
D
L
L
L
I
D
D
I
Q
S
LSGKKVA
T
Q
E
E
F
F
N
T
F
N
A
L
H
D-K-Q
K
Q
I
V
L
TSDRS
P
K
H
L
E
G
L
E
E
R
L
V
T
R
F
SWGLTQTITPP
D
F
E
T
R
I
A
I
L
QS
K
T
E
HLGYNFQ
S
D
T
L
E
Y
L
A
G
QFDSN
V
R
D
L
E
G
A
I
N
D
I
T
L
I
A
R
V
K
K
I
K
D
I
T
I
D
I
A
A
E
A
I
R
A
R
K
Q
D
V
S
Q
M
L
V
I
P
I
D
K
I
Q
T
E
VG
N
F
YGV
S
I
K
E
MKGS
R
R
L
Q
N
I
V
L
A
R
Q
V
A
M
Y
L
S
R
ELTDN
S
L
P
K
I
G
K
E
FGGK-D
H
T
T
V
I
H
A
H
A
K
I
K
S
L
IDQDD
N
L
R
L
E
I
E
S
I
K
K
KIK
5
PsiBlast_PDB
88.28
38%
-120
- C4 -
-
1L8Q
1
DNAA_AQUAE
A:
[4-296]
------------------------------------------------------------------------------------------------------------------
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
R
--
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
E
-
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
-
E
L
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
-
E
N
T
K
N
V
R
E
I
E
G
---------
K
I
K
L
I
K
L
K
G
F
E
G
L
E
R
K
E
R
K
E
R
D
K
L
M
Q
I
V
E
F
--------
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
R
N
K
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
K
R
K
-
D
H
T
T
V
I
H
A
--------------------------
64
HHSearch
86.28
38%
-106
- C4 -
-
1L8Q
1
DNAA_AQUAE
A:
[2-318]
----------------------------------------------------------------------------------------------------------------
D
F
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
--
R
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
-
E
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
E
L
-
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
E
N
T
-
K
N
V
R
E
I
E
G
K
I
K
L
I
K
L
K
G
F
E
G
----
L
E
R
K
---------
E
R
----
K
E
R
D
K
L
M
Q
I
V
E
F
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
R
N
K
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
K
-
R
K
D
H
T
T
V
I
H
A
I
R
S
V
E
E
E
K
K
--
R
K
F
K
H
L
V
G
F
L
E
K
Q
--
23
PsiBlast_CBE
86.01
38%
-115
- C4 -
-
3R8F
2
DNAA_AQUAE
D:
[4-297]
------------------------------------------------------------------------------------------------------------------
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
R
--
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
E
-
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
-
E
L
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
-
E
N
T
K
N
V
R
E
I
E
G
K
I
K
L
I
K
L
K
G
-----------
F
E
G
L
E
R
K
E
R
K
E
R
D
K
L
M
Q
I
V
E
F
------
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
-
N
K
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
K
R
K
-
D
H
T
T
V
I
H
A
--------------------------
25
PsiBlast_CBE
85.74
38%
-115
- C4 -
-
3R8F
3
DNAA_AQUAE
B:
[4-297]
------------------------------------------------------------------------------------------------------------------
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
R
--
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
E
-
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
-
E
L
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
-
E
N
T
K
N
V
R
E
I
E
G
K
I
K
L
I
K
L
K
G
-----------
F
E
G
L
E
R
K
E
R
K
E
R
D
K
L
M
Q
I
V
E
F
------
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
-
N
K
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
K
R
K
-
D
H
T
T
V
I
H
A
--------------------------
3
PsiBlast_PDB
84.85
38%
-115
- C4 -
-
3R8F
3
DNAA_AQUAE
A:
[4-297]
------------------------------------------------------------------------------------------------------------------
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
R
--
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
E
-
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
-
E
L
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
-
E
N
T
K
N
V
R
E
I
E
G
K
I
K
L
I
K
L
K
G
-----------
F
E
G
L
E
R
K
E
R
K
E
R
D
K
L
M
Q
I
V
E
F
------
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
-
N
K
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
K
R
K
-
D
H
T
T
V
I
H
A
--------------------------
24
PsiBlast_CBE
84.00
38%
-115
- C4 -
-
3R8F
3
DNAA_AQUAE
C:
[4-297]
------------------------------------------------------------------------------------------------------------------
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
R
--
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
E
-
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
-
E
L
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
-
E
N
T
K
N
V
R
E
I
E
G
K
I
K
L
I
K
L
K
G
-----------
F
E
G
L
E
R
K
E
R
K
E
R
D
K
L
M
Q
I
V
E
F
------
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
-
N
K
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
K
R
K
-
D
H
T
T
V
I
H
A
--------------------------
27
PsiBlast_CBE
83.75
38%
-111
- C4 -
-
2HCB
2
DNAA_AQUAE
C:
[3-295]
------------------------------------------------------------------------------------------------------------------
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
R
--
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
E
-
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
-
E
L
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
-
E
N
T
K
N
V
R
E
I
E
G
K
I
K
L
I
K
L
K
G
-----------
F
E
G
L
E
R
K
E
R
K
E
R
D
K
L
M
Q
I
V
E
F
------
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
-
N
K
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
----
D
H
T
T
V
I
H
A
--------------------------
28
PsiBlast_CBE
83.67
38%
-109
- C4 -
-
2HCB
2
DNAA_AQUAE
B:
[3-295]
------------------------------------------------------------------------------------------------------------------
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
R
--
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
E
-
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
-
E
L
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
-
E
N
T
K
N
V
R
E
I
E
G
K
I
K
L
I
K
L
K
G
-----------
F
E
G
L
E
R
K
E
R
K
E
R
D
K
L
M
Q
I
V
E
F
------
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
-
N
K
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
K
---
D
H
T
T
V
I
H
A
--------------------------
65
HHSearch
83.58
38%
-96
- C4 -
-
2HCB
1
DNAA_AQUAE
D:
[2-318]
-----------------------------------------------------------------------------------------------------------------
F
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
--
R
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
-
E
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
E
L
-
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
E
N
T
-
K
N
V
R
E
I
E
G
K
I
K
L
I
K
L
K
G
F
E
G
L
----
E
R
K
---------
E
R
----
K
E
R
D
K
L
M
Q
I
V
E
F
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
-
N
K
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
K
-
R
K
D
H
T
T
V
I
H
A
I
R
S
V
E
E
E
K
K
--
R
K
F
K
H
L
V
G
F
L
E
K
Q
A
-
4
PsiBlast_PDB
83.23
38%
-114
- C4 -
-
2HCB
2
DNAA_AQUAE
A:
[3-295]
------------------------------------------------------------------------------------------------------------------
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
R
--
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
E
-
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
-
E
L
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
-
E
N
T
K
N
V
R
E
I
E
G
K
I
K
L
I
K
L
K
G
-----------
F
E
G
L
E
R
K
E
R
K
E
R
D
K
L
M
Q
I
V
E
F
------
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
R
--
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
K
---
D
H
T
T
V
I
H
A
--------------------------
26
PsiBlast_CBE
82.43
38%
-110
- C4 -
-
2HCB
1
DNAA_AQUAE
D:
[3-295]
------------------------------------------------------------------------------------------------------------------
L
N
P
K
Y
T
L
E
N
F
I
V
G
E
G
N
R
L
A
Y
E
V
-
V
K
E
A
L
E
N
L
G
S
L
Y
N
P
I
F
I
Y
G
S
V
G
T
G
K
T
H
L
L
Q
A
A
---
G
N
E
A
K
K
R
--
G
Y
R
V
I
Y
S
S
A
D
D
F
A
Q
A
M
V
E
H
L
K
K
G
T
I
N
E
F
R
N
M
Y
K
-
S
V
D
L
L
L
L
D
D
V
Q
F
L
S
G
K
E
-
R
T
Q
I
E
F
F
H
I
F
N
T
L
Y
L
-
L
-
E
K
Q
I
I
L
A
S
D
R
H
P
Q
K
L
D
G
V
S
D
R
L
V
S
R
F
E
G
G
I
L
V
E
I
-
E
L
D
N
K
T
R
F
K
I
I
K
E
K
L
K
E
F
N
L
E
L
R
K
E
V
I
D
Y
L
L
-
E
N
T
K
N
V
R
E
I
E
G
K
I
K
L
I
K
L
K
G
-----------
F
E
G
L
E
R
K
E
R
K
E
R
D
K
L
M
Q
I
V
E
F
------
V
A
N
Y
Y
A
V
K
V
E
D
I
L
S
D
K
-
N
K
R
T
S
E
A
R
K
I
A
M
Y
L
C
R
K
V
C
S
A
S
L
I
E
I
A
R
A
F
K
R
K
-
D
H
T
T
V
I
H
A
--------------------------
63
HHSearch
74.25
32%
-27
- C4 -
-
2Z4R
1
DNAA_THEMA
C:
[96-335]
----------------------------------------------------------------------------------------------------------------
T
P
L
N
P
D
Y
T
F
E
N
F
V
V
G
P
G
N
S
F
A
Y
H
A
-
A
L
E
V
A
K
H
P
G
-
R
Y
N
P
L
F
I
Y
G
G
V
G
L
G
K
T
H
L
L
Q
S
I
---
G
N
Y
V
V
Q
N
E
P
D
L
R
V
M
Y
I
T
S
E
K
F
L
N
D
L
V
D
S
M
K
E
G
K
L
N
E
F
R
E
K
Y
R
K
K
V
D
I
L
L
I
D
D
V
Q
F
L
I
G
K
-
T
G
V
Q
T
E
L
F
H
T
F
N
E
L
H
D
-
S
-
G
K
Q
I
V
I
C
S
D
R
E
P
Q
K
L
S
E
F
Q
D
R
L
V
S
R
F
Q
M
G
L
V
A
K
L
E
P
P
D
E
E
T
R
K
S
I
A
R
K
M
L
E
I
E
H
G
E
L
P
E
E
V
L
N
F
V
A
E
N
V
D
D
N
L
R
R
L
R
G
A
I
I
K
L
L
V
Y
K
E
T
T
G
-
K
E
V
D
L
K
E
A
I
L
L
L
K
D
F
I
K
P
----------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
73.34
33%
-29
- C4 -
-
2Z4R
1
DNAA_THEMA
C:
[96-335]
----------------------------------------------------------------------------------------------------------------
T
P
L
N
P
D
Y
T
F
E
N
F
V
V
G
P
G
N
S
F
A
Y
H
A
-
A
L
E
V
A
K
H
P
G
-
R
Y
N
P
L
F
I
Y
G
G
V
G
L
G
K
T
H
L
L
Q
S
I
---
G
N
Y
V
V
Q
N
E
P
D
L
R
V
M
Y
I
T
S
E
K
F
L
N
D
L
V
D
S
M
K
E
G
K
L
N
E
F
R
E
K
Y
R
K
K
V
D
I
L
L
I
D
D
V
Q
F
L
I
G
-
K
T
G
V
Q
T
E
L
F
H
T
F
N
E
L
H
D
-
S
-
G
K
Q
I
V
I
C
S
D
R
E
P
Q
K
L
S
E
F
Q
D
R
L
V
S
R
F
Q
M
G
L
V
A
K
L
E
P
P
D
E
E
T
R
K
S
I
A
R
K
M
L
E
I
E
H
G
E
L
P
E
E
V
L
N
F
V
A
E
N
V
D
D
N
L
R
R
L
R
G
A
I
--
I
K
L
L
V
-
Y
K
E
T
T
G
K
E
V
D
L
-
K
E
A
I
L
L
L
K
D
F
I
K
P
-------------------------------------------------------------------------------------------------
62
HHSearch
72.88
32%
-29
- C4 -
-
2Z4S
1
DNAA_THEMA
A:
[96-335]
----------------------------------------------------------------------------------------------------------------
T
P
L
N
P
D
Y
T
F
E
N
F
V
V
G
P
G
N
S
F
A
Y
H
A
-
A
L
E
V
A
K
H
P
G
-
R
Y
N
P
L
F
I
Y
G
G
V
G
L
G
K
T
H
L
L
Q
S
I
---
G
N
Y
V
V
Q
N
E
P
D
L
R
V
M
Y
I
T
S
E
K
F
L
N
D
L
V
D
S
M
K
E
G
K
L
N
E
F
R
E
K
Y
R
K
K
V
D
I
L
L
I
D
D
V
Q
F
L
I
G
K
-
T
G
V
Q
T
E
L
F
H
T
F
N
E
L
H
D
-
S
-
G
K
Q
I
V
I
C
S
D
R
E
P
Q
K
L
S
E
F
Q
D
R
L
V
S
R
F
Q
M
G
L
V
A
K
L
E
P
P
D
E
E
T
R
K
S
I
A
R
K
M
L
E
I
E
H
G
E
L
P
E
E
V
L
N
F
V
A
E
N
V
D
D
N
L
R
R
L
R
G
A
I
I
K
L
L
V
Y
K
E
T
T
G
-
K
E
V
D
L
K
E
A
I
L
L
L
K
D
F
I
K
P
----------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
72.74
33%
-32
- C4 -
-
2Z4S
1
DNAA_THEMA
A:
[96-335]
----------------------------------------------------------------------------------------------------------------
T
P
L
N
P
D
Y
T
F
E
N
F
V
V
G
P
G
N
S
F
A
Y
H
A
-
A
L
E
V
A
K
H
P
G
-
R
Y
N
P
L
F
I
Y
G
G
V
G
L
G
K
T
H
L
L
Q
S
I
---
G
N
Y
V
V
Q
N
E
P
D
L
R
V
M
Y
I
T
S
E
K
F
L
N
D
L
V
D
S
M
K
E
G
K
L
N
E
F
R
E
K
Y
R
K
K
V
D
I
L
L
I
D
D
V
Q
F
L
I
G
-
K
T
G
V
Q
T
E
L
F
H
T
F
N
E
L
H
D
-
S
-
G
K
Q
I
V
I
C
S
D
R
E
P
Q
K
L
S
E
F
Q
D
R
L
V
S
R
F
Q
M
G
L
V
A
K
L
E
P
P
D
E
E
T
R
K
S
I
A
R
K
M
L
E
I
E
H
G
E
L
P
E
E
V
L
N
F
V
A
E
N
V
D
D
N
L
R
R
L
R
G
A
I
--
I
K
L
L
V
-
Y
K
E
T
T
G
K
E
V
D
L
-
K
E
A
I
L
L
L
K
D
F
I
K
P
-------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
72.03
33%
-28
- C4 -
-
2Z4R
1
DNAA_THEMA
B:
[96-335]
----------------------------------------------------------------------------------------------------------------
T
P
L
N
P
D
Y
T
F
E
N
F
V
V
G
P
G
N
S
F
A
Y
H
A
-
A
L
E
V
A
K
H
P
G
-
R
Y
N
P
L
F
I
Y
G
G
V
G
L
G
K
T
H
L
L
Q
S
I
---
G
N
Y
V
V
Q
N
E
P
D
L
R
V
M
Y
I
T
S
E
K
F
L
N
D
L
V
D
S
M
K
E
G
K
L
N
E
F
R
E
K
Y
R
K
K
V
D
I
L
L
I
D
D
V
Q
F
L
I
G
-
K
T
G
V
Q
T
E
L
F
H
T
F
N
E
L
H
D
-
S
-
G
K
Q
I
V
I
C
S
D
R
E
P
Q
K
L
S
E
F
Q
D
R
L
V
S
R
F
Q
M
G
L
V
A
K
L
E
P
P
D
E
E
T
R
K
S
I
A
R
K
M
L
E
I
E
H
G
E
L
P
E
E
V
L
N
F
V
A
E
N
V
D
D
N
L
R
R
L
R
G
A
I
--
I
K
L
L
V
-
Y
K
E
T
T
G
K
E
V
D
L
-
K
E
A
I
L
L
L
K
D
F
I
K
P
-------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
71.57
33%
-28
- C4 -
-
2Z4R
1
DNAA_THEMA
A:
[96-335]
----------------------------------------------------------------------------------------------------------------
T
P
L
N
P
D
Y
T
F
E
N
F
V
V
G
P
G
N
S
F
A
Y
H
A
-
A
L
E
V
A
K
H
P
G
-
R
Y
N
P
L
F
I
Y
G
G
V
G
L
G
K
T
H
L
L
Q
S
I
---
G
N
Y
V
V
Q
N
E
P
D
L
R
V
M
Y
I
T
S
E
K
F
L
N
D
L
V
D
S
M
K
E
G
K
L
N
E
F
R
E
K
Y
R
K
K
V
D
I
L
L
I
D
D
V
Q
F
L
I
G
-
K
T
G
V
Q
T
E
L
F
H
T
F
N
E
L
H
D
-
S
-
G
K
Q
I
V
I
C
S
D
R
E
P
Q
K
L
S
E
F
Q
D
R
L
V
S
R
F
Q
M
G
L
V
A
K
L
E
P
P
D
E
E
T
R
K
S
I
A
R
K
M
L
E
I
E
H
G
E
L
P
E
E
V
L
N
F
V
A
E
N
V
D
D
N
L
R
R
L
R
G
A
I
--
I
K
L
L
V
-
Y
K
E
T
T
G
K
E
V
D
L
-
K
E
A
I
L
L
L
K
D
F
I
K
P
-------------------------------------------------------------------------------------------------
66
HHSearch
64.20
22%
-66
- C4 -
-
3BOS
9
?
B:
[19-241]
----------------------------------------------------------------------------------------------------------------
V
H
L
P
D
D
E
T
F
T
S
Y
Y
P
A
A
G
N
D
E
L
I
G
A
-
L
K
S
A
A
S
G
D
--
G
V
Q
A
I
Y
L
W
G
P
V
K
S
G
R
T
H
L
I
H
A
A
---
C
A
R
A
N
E
L
--
E
R
R
S
F
Y
I
P
L
G
I
H
A
S
I
S
---------
T
A
L
L
E
G
L
E
-
Q
F
D
L
I
C
I
D
D
V
D
A
V
A
G
H
-
P
L
W
E
E
A
I
F
D
L
Y
N
R
V
A
E
-
Q
K
R
G
S
L
I
V
S
A
S
A
S
P
M
E
A
G
F
V
L
P
D
L
V
S
R
M
H
W
G
L
T
Y
Q
L
Q
P
M
M
D
D
E
K
L
A
A
L
Q
R
R
A
A
M
R
G
L
Q
L
P
E
D
V
G
R
F
L
L
N
R
M
A
R
D
L
R
T
L
F
D
V
L
D
R
L
D
K
A
S
M
V
H
Q
-
R
K
L
T
I
P
F
V
K
E
M
L
R
---------------------------------------------------------------------------------------------------------
67
HHSearch
62.02
22%
-68
- C4 -
-
3BOS
11
?
A:
[19-241]
----------------------------------------------------------------------------------------------------------------
V
H
L
P
D
D
E
T
F
T
S
Y
Y
P
--
G
N
D
E
L
I
G
A
-
L
K
S
A
A
S
G
D
--
G
V
Q
A
I
Y
L
W
G
P
V
K
S
G
R
T
H
L
I
H
A
A
---
C
A
R
A
N
E
L
--
E
R
R
S
F
Y
I
P
L
G
I
H
A
S
I
S
---------
T
A
L
L
E
G
L
E
-
Q
F
D
L
I
C
I
D
D
V
D
A
V
A
G
H
-
P
L
W
E
E
A
I
F
D
L
Y
N
R
V
A
E
-
Q
K
R
G
S
L
I
V
S
A
S
A
S
P
M
E
A
G
F
V
L
P
D
L
V
S
R
M
H
W
G
L
T
Y
Q
L
Q
P
M
M
D
D
E
K
L
A
A
L
Q
R
R
A
A
M
R
G
L
Q
L
P
E
D
V
G
R
F
L
L
N
R
M
A
R
D
L
R
T
L
F
D
V
L
D
R
L
D
K
A
S
M
V
H
Q
-
R
K
L
T
I
P
F
V
K
E
M
L
R
---------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
53.84
24%
6
- C4 -
-
3BOS
11
?
A:
[13-241]
-------------------------------------------------------------------------------------------------------
L
Q
L
S
L
P
V
H
---
L
P
D
D
E
T
F
T
S
Y
Y
P
--
G
N
D
E
L
I
G
A
L
K
S
A
A
S
G
D
---
G
V
Q
A
I
Y
L
W
G
P
V
K
S
G
R
T
H
L
I
H
A
A
C
A
R
A
N
E
L
E
R
-----
R
S
F
Y
I
P
L
G
--
I
H
A
S
I
S
T
A
L
L
E
G
L
E
Q
F
--------
D
L
I
C
I
D
D
V
D
A
V
A
G
H
P
L
-
W
E
E
A
I
F
D
L
Y
N
R
V
A
E
Q
K
-
R
G
S
L
I
V
S
A
S
A
S
P
M
E
A
G
F
V
L
P
D
L
V
S
R
M
H
W
G
L
T
Y
Q
L
Q
P
M
M
D
D
E
K
L
A
A
L
Q
R
R
A
A
M
R
G
L
Q
L
P
E
D
V
G
R
F
L
L
N
R
M
A
R
D
L
R
T
L
F
D
V
L
D
R
L
D
K
A
S
M
V
H
Q
R
K
-
L
T
I
P
F
V
K
E
M
L
R
---------------------------------------------------------------------------------------------------------