@TOME V2.3
(Nov 2016)
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 : Rv1218c: (2016-04-29 )
MSADNHQVPIEIRGLTKHFGSVRALDGLDLTVREGEVHGFLGPNGAGKSTTLRILLGLVKADGGSVRLLGGDPWTDAVDLHRHIAYVPGDVTLWPSLTGGETIDLLARMRGGIDNARRAELIERFGLDPTKKARTYSKGNRQKVSLISALSSHATLLLLDEPSSGLDPLMENVFQQCIGEARQRGVTVLLSSHILAETEALCEKVTIIRAGKTVESGSLDALRHLSRTSIKAEMIGDPGDLSQIKGVEDISIEGTTVRAQVDSESLRELIQVLGHAGVRSLVSQPPTLEELFLRHYSLGPEVAAEQQVATP
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-----------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSADN
H
Q
V
P
I
E
I
R
G
L
T
K
HF--GS--VRALDG
L
D
L
T
V
REG
E
V
H
G
F
LGPNGAGK
S
T
T
L
R
I
L
L
G
L
V
KADG
G
S
V
----
R
L
----LGGDPWT
D
----
A
V
D
L
H
R
H
IAYVPGD
V
T
L
WPSLTGG
E
T
I
D
L
---
L
A
R
M
RG---G----I---D---
N
---
A
----
R
-
R
A
E
L
I
E
R
FGLD--P----TKKARTYSKGN
R
Q
K
V
S
L
I
S
A
L
S
SH
A
T
L
L
L
LDEPSS
G
L
D
P
L
M
E
-
N
V
F
Q
Q
C
I
G
E
A
R
-QR-
G
V
T
V
L
L
S
S
H
I
L
A
E
T
E
A
L
C
E
K
V
T
I
I
RAGKTVESG
S
-
L
D
A
L
R
H
L
S
R
TS
I
K
A
E
MIGDPG
D
L
S
Q
IKGV
E
D
I
S
IEG
T
T
V
R
A
QV
D
S
E
S
L
R
E
L
I
Q
V
L
G
H
A
G
V
R
S
L
VSQPP
T
L
E
E
L
F
L
R
HYSLGPEVAAEQQVATP------------------------------------
24
PsiBlast_CBE
87.51
33%
-74
- C1 -
1OXU
7
?
B:
[2-247]
-------
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
K
--
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
YFDD
R
L
----
V
A
S
N
G
K
L
I
----
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P--
L
T
N
M
K
M
---
S
----
K
---
E
---
E
---
I
----
R
K
R
V
E
E
V
A
K
I
-
L
D
--
I
HHVL
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
-
S
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
L
----------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
87.12
33%
-70
- C1 -
1OXV
15
?
D:
[2-247]
-------
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
K
--
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
YFDD
R
L
----
V
A
S
N
G
K
L
I
----
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P--
L
T
N
M
K
M
---
S
----
K
---
E
---
E
---
I
----
R
K
R
V
E
E
V
A
K
I
-
L
D
--
I
HHVL
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
-
S
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
L
----------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
86.96
33%
-70
- C1 -
1OXV
7
?
A:
[2-247]
-------
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
K
--
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
Y
FDD
R
L
----
V
A
S
N
G
K
L
I
----
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P--
L
T
N
M
K
M
---
S
----
K
---
E
---
E
---
I
----
R
K
R
V
E
E
V
A
K
I
-
L
D
--
I
HHVL
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
-
S
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
L
----------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
86.96
33%
-71
- C1 -
1OXU
7
?
A:
[2-247]
-------
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
K
--
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
Y
FDD
R
L
----
V
A
S
N
G
K
L
I
----
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P--
L
T
N
M
K
M
---
S
----
K
---
E
---
E
---
I
----
R
K
R
V
E
E
V
A
K
I
-
L
D
--
I
HHVL
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
-
S
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
L
----------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
86.95
33%
-71
- C1 -
1OXV
4
?
B:
[2-247]
-------
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
K
--
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
YFDD
R
L
----
V
A
S
N
G
K
L
I
----
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P--
L
T
N
M
K
M
---
S
----
K
---
E
---
E
---
I
----
R
K
R
V
E
E
V
A
K
I
-
L
D
--
I
HHVL
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
-
S
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
L
----------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
85.93
33%
-71
- C1 -
1OXU
13
?
C:
[2-247]
-------
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
K
--
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
YFDD
R
L
----
V
A
S
N
G
K
L
I
----
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P--
L
T
N
M
K
M
---
S
----
K
---
E
---
E
---
I
----
R
K
R
V
E
E
V
A
K
I
-
L
D
--
I
HHVL
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
-
S
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
L
----------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
85.78
33%
-68
- C1 -
1OXS
19
?
C:
[2-247]
-------
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
K
--
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
YFDD
R
L
----
V
A
S
N
G
K
L
I
----
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P--
L
T
N
M
K
M
---
S
----
K
---
E
---
E
---
I
----
R
K
R
V
E
E
V
A
K
I
-
L
D
--
I
HHVL
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
-
S
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
L
----------------------------------------------------------------------------------------------------------
53
Fugue
85.68
26%
-59
- C1 -
1OXS
23
?
C:
[1-352]
------
M
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
K
--
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
----
Y
F
DDRL
V
A
S
N
G
K
L
I
----
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
---
P
L
T
N
M
K
MSK
E
----
E
---
I
---
R
---
K
----
R
-
V
E
E
V
A
K
I
L
D
I
H
--
H
VL--
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
-
S
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
L
E
G
K
V
T
N
E
G
V
V
I
G
S
L
R
F
P
V
S
V
S
S
D
R
A
I
I
G
I
R
-
P
E
D
V
K
L
S
K
D
V
I
K
D
D
S
W
I
L
V
G
K
G
K
V
K
V
I
G
Y
Q
G
G
L
F
R
I
T
I
T
PLDSEEEIFTYSDHPIHSGEEVLVYVRKDKIKVFEK
11
PsiBlast_PDB
85.01
33%
-72
- C1 -
1OXT
-
?
A:
[2-247]
-------
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
K
--
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
Y
FDD
R
L
----
V
A
S
N
G
K
L
I
----
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P--
L
T
N
M
K
M
---
S
----
K
---
E
---
E
---
I
----
R
K
R
V
E
E
V
A
K
I
-
L
D
--
I
HHVL
N
H
F
P
R
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
-
S
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
L
----------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
84.46
32%
-69
- C1 -
1OXX
22
?
K:
[2-247]
-------
V
R
I
I
V
K
N
V
S
K
V
F
KK
G
K
--
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
YFDD
R
L
----
V
A
S
N
G
K
L
I
----
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
P--
L
T
N
M
K
M
---
S
----
K
---
E
---
E
---
I
----
R
K
R
V
E
E
V
A
K
I
-
L
D
--
I
HHVL
N
H
F
P
R
E
L
S
G
A
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
-
S
R
L
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
P
V
S
I
Q
V
A
S
L
I
G
E
I
N
E
L
----------------------------------------------------------------------------------------------------------
52
Fugue
78.64
23%
-61
- C1 -
1Z47
1
?
A:
[11-355]
-----
G
S
M
T
I
E
F
V
G
V
E
K
I
Y
P-
G
G
--
A
R
S
V
R
G
V
S
F
Q
I
R
E
G
E
M
V
G
L
L
G
P
S
G
S
G
K
T
T
I
L
R
L
I
A
G
L
E
R
P
T
K
G
D
V
----
W
I
-----
G
G
K
R
V
T
D
----
L
P
P
Q
K
R
N
V
G
L
V
F
Q
N
Y
A
L
F
Q
H
M
T
V
Y
D
N
V
S
F
---
G
L
R
E
K
R
VP
K
D
----
E
---
M
---
D
---
A
----
R
-
V
R
E
L
L
R
F
M
R
L
E
--
S
YA--
N
R
F
P
H
E
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
A
P
R
P
Q
V
L
L
F
D
E
P
F
A
A
I
D
T
Q
I
R
-
R
E
L
R
T
F
V
R
Q
V
H
-
D
E
M
G
V
T
S
V
F
V
T
H
D
Q
E
E
A
L
E
V
A
D
R
V
L
V
L
H
E
G
N
V
E
Q
F
G
T
-
P
E
E
V
Y
E
K
P
G
T
L
F
V
A
S
F
I
G
E
S
N
V
W
T
R
A
V
Q
N
G
R
I
E
V
A
G
A
A
L
P
V
D
P
A
V
S
E
G
S
E
V
A
V
V
V
R
P
K
D
V
E
L
Q
P
A
S
E
R
E
A
H
A
Q
V
V
R
S
A
F
K
G
S
Y
S
A
C
W
I
R
T
K
D
G
E
V
W
E
V
H
V
P
SADRHRWSPG
A
W
V
H
M
N
V
T
R
W
F
I
F
P
R---
15
PsiBlast_PDB
78.39
28%
-82
- C1 -
4TQU
-
?
S:
[5-238]
---------
V
S
I
Q
N
V
V
K
R
Y
--
D
K
--
T
T
V
V
H
G
V
S
L
D
I
E
P
G
E
F
V
V
L
V
G
P
S
G
C
G
K
S
T
T
L
R
M
V
A
G
L
E
E
I
S
G
G
T
I
----
R
-----
I
D
G
R
V
I
N
D
----
L
A
P
K
D
R
D
V
A
M
V
F
Q
N
Y
A
L
Y
P
H
L
N
V
R
D
N
I
S
F
GLR
L
K
R
T
K
K
---
S
----
V
---
I
---
D
---
A
----
A
-
V
K
T
A
A
D
I
L
G
L
Q
--
P
LL--
E
R
K
P
S
D
L
S
G
G
Q
R
Q
R
V
A
M
G
R
A
I
V
R
D
P
K
V
F
L
F
D
Q
P
L
S
N
L
D
A
K
L
R
-
T
Q
M
R
A
E
I
K
R
L
H
-
Q
R
L
G
T
T
V
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
R
I
V
V
M
R
D
G
L
I
E
Q
I
G
K
P
M
D
L
F
L
H
P
A
N
T
F
V
-
A
S
F
I
G
S
P
-------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
77.86
29%
-77
- C1 -
2YYZ
3
?
A:
[4-237]
---------
I
R
V
V
N
L
K
K
Y
F
--
G
K
--
V
K
A
V
D
G
V
S
F
E
V
K
D
G
E
F
V
A
L
L
G
P
S
G
C
G
K
T
T
T
L
L
M
L
A
G
I
Y
K
P
T
S
G
E
I
-----
Y
----
F
D
D
V
L
V
N
D
----
I
P
P
K
Y
R
E
V
G
M
V
F
Q
N
Y
A
L
Y
P
H
M
T
V
F
E
N
I
A
F
---
P
L
R
A
R
R
---
I
----
S
---
K
---
D
E
V
E
K
----
R
-
V
V
E
I
A
R
K
L
L
I
D
--
N
LL--
D
R
K
P
T
Q
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
Q
P
K
V
L
L
F
D
E
P
L
S
N
L
D
A
N
L
R
-
M
I
M
R
A
E
I
K
H
L
Q
-
Q
E
L
G
I
T
S
V
Y
V
T
H
D
Q
A
E
A
M
T
M
A
S
R
I
A
V
F
N
Q
G
K
L
V
Q
Y
G
T
-
P
D
E
V
Y
D
S
P
K
N
M
F
V
A
S
F
I
G
N
P
-------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
77.74
28%
-83
- C1 -
4TQV
-
?
C:
[5-238]
---------
V
S
I
Q
N
V
V
K
R
Y
--
D
K
--
T
T
V
V
H
G
V
S
L
D
I
E
P
G
E
F
V
V
L
V
G
P
S
G
C
G
K
S
T
T
L
R
M
V
A
G
L
E
E
I
S
G
G
T
I
----
R
-----
I
D
G
R
V
I
N
D
----
L
A
P
K
D
R
D
V
A
M
V
F
Q
N
Y
A
L
Y
P
H
L
N
V
R
D
N
I
S
F
GLR
L
K
R
T
K
K
---
S
----
V
---
I
---
D
---
A
----
A
-
V
K
T
A
A
D
I
L
G
L
Q
--
P
LL--
E
R
K
P
S
D
L
S
G
G
Q
R
Q
R
V
A
M
G
R
A
I
V
R
D
P
K
V
F
L
F
D
Q
P
L
S
N
L
D
A
K
L
R
-
T
Q
M
R
A
E
I
K
R
L
H
-
Q
R
L
G
T
T
V
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
R
I
V
V
M
R
D
G
L
I
E
Q
I
G
K
P
M
D
L
F
L
H
P
A
N
T
F
V
-
A
S
F
I
G
S
P
-------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
77.68
27%
-82
- C1 -
2IT1
-
?
A:
[2-237]
-------
V
E
I
K
L
E
N
I
V
K
K
F
--
G
N
--
F
T
A
L
N
N
I
N
L
K
I
K
D
G
E
F
M
A
L
L
G
P
S
G
S
G
K
S
T
L
L
Y
T
I
A
G
I
Y
K
P
T
S
G
K
I
----
Y
F
----
D
E
K
D
-
V
T
E
----
L
P
P
K
D
R
N
V
G
L
V
F
Q
N
W
A
L
Y
P
H
M
T
V
Y
K
N
I
A
F
---
P
L
E
L
R
K
---
A
P
R
E
E
I
---
D
---
K
---
K
----
V
-
R
-
E
V
A
K
M
L
H
I
D
--
K
LL--
N
R
Y
P
W
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
V
K
E
P
E
V
L
L
L
D
E
P
L
S
N
L
D
A
L
L
R
L
E
V
R
A
E
L
K
R
L
Q
K
-
E
L
-
G
I
T
T
V
Y
V
T
H
D
Q
A
E
A
L
A
M
A
D
R
I
A
V
I
R
E
G
E
I
L
Q
V
G
T
-
P
D
E
V
Y
Y
K
P
K
Y
K
F
V
G
G
F
L
G
N
P
-------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
77.14
28%
-77
- C1 -
4XTC
-
?
S:
[5-238]
---------
V
S
I
Q
N
V
V
K
R
Y
--
D
K
--
T
T
V
V
H
G
V
S
L
D
I
E
P
G
E
F
V
V
L
V
G
P
S
G
C
G
K
S
T
T
L
R
M
V
A
G
L
E
E
I
S
G
G
T
I
----
R
-----
I
D
G
R
V
I
N
D
----
L
A
P
K
D
R
D
V
A
M
V
F
Q
N
Y
A
L
Y
P
H
L
N
V
R
D
N
I
S
F
GLR
L
K
R
T
K
K
---
S
----
V
---
I
---
D
---
A
----
A
-
V
K
T
A
A
D
I
L
G
L
Q
--
P
LL--
E
R
K
P
S
D
L
S
G
G
Q
R
Q
R
V
A
M
G
R
A
I
V
R
D
P
K
V
F
L
F
D
Q
P
L
S
N
L
D
A
K
L
R
-
T
Q
M
R
A
E
I
K
R
L
H
-
Q
R
L
G
T
T
V
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
R
I
V
V
M
R
D
G
L
I
E
Q
I
G
K
P
M
D
L
F
L
H
P
A
N
T
F
V
-
A
S
F
I
G
S
P
-------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
76.94
28%
-80
- C1 -
4XIG
-
?
S:
[5-238]
---------
V
S
I
Q
N
V
V
K
R
Y
--
D
K
--
T
T
V
V
H
G
V
S
L
D
I
E
P
G
E
F
V
V
L
V
G
P
S
G
C
G
K
S
T
T
L
R
M
V
A
G
L
E
E
I
S
G
G
T
I
----
R
-----
I
D
G
R
V
I
N
D
----
L
A
P
K
D
R
D
V
A
M
V
F
Q
N
Y
A
L
Y
P
H
L
N
V
R
D
N
I
S
F
GLR
L
K
R
T
K
K
---
S
----
V
---
I
---
D
---
A
----
A
-
V
K
T
A
A
D
I
L
G
L
Q
--
P
LL--
E
R
K
P
S
D
L
S
G
G
Q
R
Q
R
V
A
M
G
R
A
I
V
R
D
P
K
V
F
L
F
D
Q
P
L
S
N
L
D
A
K
L
R
-
T
Q
M
R
A
E
I
K
R
L
H
-
Q
R
L
G
T
T
V
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
R
I
V
V
M
R
D
G
L
I
E
Q
I
G
K
P
M
D
L
F
L
H
P
A
N
T
F
V
-
A
S
F
I
G
S
P
-------------------------------------------------------------------------------------------------------------
49
HHSearch
76.83
31%
-90
- C1 -
4RVC
-
?
A:
[2-225]
-------
T
L
L
E
V
K
D
L
S
G
G
Y
--
T
A
--
Q
N
V
L
E
D
V
T
F
V
V
D
R
G
E
M
V
A
L
I
G
L
N
G
A
G
K
S
T
T
I
K
H
I
I
G
L
M
E
P
R
R
G
A
I
----
S
I
----
N
G
Y
R
L
A
D
G
----
P
E
T
Y
R
R
Q
F
A
Y
I
P
E
T
P
V
L
Y
E
E
L
T
L
E
E
H
L
R
L
---
A
A
M
A
Y
G
---
L
----
S
---
E
A
E
Y
E
---
R
----
R
-
L
P
P
L
L
R
E
F
R
L
E
RR
L
----
S
S
F
P
A
H
F
S
K
G
M
K
Q
K
V
M
I
V
C
A
F
L
L
E
P
P
L
Y
I
I
D
E
P
F
L
G
L
D
P
L
A
I
-
H
A
L
L
E
R
M
N
E
Q
K
-
A
K
-
G
A
G
I
L
L
S
T
H
I
L
A
T
A
E
R
Y
C
D
S
F
V
I
L
H
N
G
R
V
K
A
K
G
T
-
L
D
D
I
R
R
Q
F
-------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
76.72
31%
-93
- C1 -
4RVC
-
?
A:
[4-222]
---------
L
E
V
K
D
L
S
G
G
Y
--
T
A
--
Q
N
V
L
E
D
V
T
F
V
V
D
R
G
E
M
V
A
L
I
G
L
N
G
A
G
K
S
T
T
I
K
H
I
I
G
L
M
E
P
R
R
G
A
I
----
S
I
----
N
G
Y
R
L
A
D
G
----
P
E
T
Y
R
R
Q
F
A
Y
I
P
E
T
P
V
L
Y
E
E
L
T
L
E
E
H
L
R
L
----
A
A
M
A
Y
---
G
----
L
---
S
---
E
---
A
E
Y
E
R
R
-
L
P
P
L
L
R
E
F
R
L
E
--
R
RL--
S
S
F
P
A
H
F
S
K
G
M
K
Q
K
V
M
I
V
C
A
F
L
L
E
P
P
L
Y
I
I
D
E
P
F
L
G
L
D
P
L
A
I
-
H
A
L
L
E
R
M
N
E
Q
K
-
A
K
-
G
A
G
I
L
L
S
T
H
I
L
A
T
A
E
R
Y
C
D
S
F
V
I
L
H
N
G
R
V
K
A
K
G
T
-
L
D
D
I
R
----------------------------------------------------------------------------------------------------------------------------
40
HHSearch
76.47
31%
-69
- C1 -
1OXX
21
?
K:
[2-231]
-------
V
R
I
I
V
K
N
V
S
K
V
F
--
K
K
GK
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
V
P
S
T
G
E
L
----
Y
F
----
D
D
R
L
V
A
S
N
GKLI
V
P
P
E
D
R
K
I
G
M
V
F
Q
T
W
A
L
Y
P
N
L
T
A
F
E
N
I
A
F
---
P
L
T
N
M
K
---
M
----
S
KEE
I
---
R
---
K
----
R
-
V
E
E
V
A
K
I
L
D
I
H
HV
L
----
N
H
F
P
R
E
L
S
G
A
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
D
P
S
L
L
L
L
D
E
P
F
S
N
L
D
A
R
M
R
-
D
S
A
R
A
L
V
K
E
V
Q
S
R
L
-
G
V
T
L
L
V
V
S
H
D
P
A
D
I
F
A
I
A
D
R
V
G
V
L
V
K
G
K
L
V
Q
V
G
K
-
P
E
D
L
Y
D
N
--------------------------------------------------------------------------------------------------------------------------