@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 : gbs0676: (2015-12-02 )
MSKIITFTNKVVVITGAGGVLCGYMAKEFAKAGAKVALLDLNQEAAQTFADEIVEEGGIAKAYKANVLSKENLEEVHQAVLEDLGPTDILVNGAGGNNPKATTDNEFHELDLPSETKTFFELDEAGISFVFNLNYLGTLLPTQVFAQDMVGREGANIINISSMNAFTPLTKIPAYSGAKAAISNFTQWLAVHFSKVGIRCNAIAPGFLVTNQNRNLLFTEDGQPTARAEKILNNTPMGRFGEASELIGGLFFLADEKSSSFVNGVVLPIDGGFAAYSGV
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.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MS
K
I
I
T
FT
N
K
V
V
V
I
TGA
G
G
V
L
C
G
Y
M
A
K
E
F
A
KAG
A
K
V
A
L
-
L
DL
N
Q
E
A
-
A
Q
T
F
A
D
E
I
V
EE---GGI
A
K
A
Y
K
ANVL
S
K
E
N
L
E
E
V
H
Q
A
V
L
E
DLGPT
D
I
L
V
NGAG--GNNPKATTDNEFHELDLP-SET
K
T
F
F
E
LDEAG
I
S
F
V
F
NL
N
Y
L
G
T
L
L
P
T
Q
V
F
A
Q
D
M
VGR-EGA
N
I
I
N
ISSMNA-FTPLTKIPAYSG
A
K
A
A
I
S
N
F
T
Q
W
L
A
V
H
F
S
KV
G
I
R
C
NAIA
P
G
F
L
---------
V
TNQNR--
N
L
L
-
F
TEDGQP
T
A
R
A
E
K
I
LNNTPMGRFG
E
A
S
E
L
IG
G
L
-
F
F
L
ADEKSSSFVN
G
V
V
L
PIDGG
F
A
AYSGV
25
PsiBlast_CBE
93.47
31%
-95
- C2 -
4DMM
1
?
C:
[24-266]
----
L
P
L
T
D
R
I
A
L
V
T
G
A
S
R
G
I
G
R
A
I
A
L
E
L
A
A
A
G
A
K
V
A
V
N
Y
A
S
S
A
G
A
-
A
D
E
V
V
A
A
I
A
A
A
---
G
G
E
A
F
A
V
K
A
D
V
S
Q
E
S
E
V
E
A
L
F
A
A
V
I
E
R
W
G
R
L
D
V
L
V
N
N
A
G
-------
I
T
R
D
T
-------------
L
L
L
R
M
K
R
D
D
W
Q
S
V
L
D
L
N
L
G
G
V
F
L
C
S
R
A
A
A
K
I
M
L
K
Q
-
R
S
G
R
I
I
N
I
A
S
V
V
G
-
E
M
G
N
P
G
Q
A
N
Y
S
A
A
K
A
G
V
I
G
L
T
K
T
V
A
K
E
L
A
S
R
G
I
T
V
N
A
V
A
P
G
F
I
---------
A
T
D
M
-------------------
E
K
L
L
E
V
I
P
L
G
R
Y
G
E
A
A
E
V
A
G
V
V
-
R
F
L
A
A
D
P
A
A
A
Y
I
T
G
Q
V
I
N
I
D
G
G
L
V
M
A
---
29
HHSearch
93.10
33%
-91
- C2 -
3GAF
-
?
A:
[5-252]
--
S
P
F
H
L
N
D
A
V
A
I
V
T
G
A
A
A
G
I
G
R
A
I
A
G
T
F
A
K
A
G
A
S
V
V
V
-
T
D
L
K
S
E
G
-
A
E
A
V
A
A
A
I
R
Q
A
---
G
G
K
A
I
G
L
E
C
N
V
T
D
E
Q
H
R
E
A
V
I
K
A
A
L
D
Q
F
G
K
I
T
V
L
V
N
N
A
G
--
G
G
G
P
K
P
------------------
F
-
D
M
P
M
S
D
F
E
W
A
F
K
L
N
L
F
S
L
F
R
L
S
Q
L
A
A
P
H
M
Q
K
A
-
G
G
G
A
I
L
N
I
S
S
M
A
G
-
E
N
T
N
V
R
M
A
S
Y
G
S
S
K
A
A
V
N
H
L
T
R
N
I
A
F
D
V
G
P
M
G
I
R
V
N
A
I
A
P
G
A
I
---------
K
T
D
A
L
A
--
T
V
L
-
T
P
------
E
I
E
R
A
M
L
K
H
T
P
L
G
R
L
G
E
A
Q
D
I
A
N
A
A
-
L
F
L
C
S
-
P
A
A
A
W
I
S
G
Q
V
L
T
V
S
G
G
G
V
Q
E
---
40
HHSearch
91.12
28%
-104
- C2 -
1SPX
-
?
A:
[2-265]
----
T
R
F
A
E
K
V
A
I
I
T
G
S
S
N
G
I
G
R
A
T
A
V
L
F
A
R
E
G
A
K
V
T
I
-
T
G
R
H
A
E
R
-
L
E
E
T
R
Q
Q
I
L
A
A
GVS
E
Q
N
V
N
S
V
V
A
D
V
T
T
D
A
G
Q
D
E
I
L
S
T
T
L
G
K
F
G
K
L
D
I
L
V
N
N
A
G
-----------------------------
Q
S
I
E
S
Y
D
A
T
L
N
L
N
L
R
S
V
I
A
L
T
K
K
A
V
P
H
L
S
S
--
T
K
G
E
I
V
N
I
S
S
I
A
S
G
L
H
A
T
P
D
F
P
Y
Y
S
I
A
K
A
A
I
D
Q
Y
T
R
N
T
A
I
D
L
I
Q
H
G
I
R
V
N
S
I
S
P
G
L
V
---------
A
T
G
F
---------------
Y
S
T
M
A
T
M
K
E
C
V
P
A
G
V
M
G
Q
P
Q
D
I
A
E
V
I
-
A
F
L
A
D
R
K
T
S
S
Y
I
I
G
H
Q
L
V
V
D
G
G
S
S
L
I
---
36
HHSearch
90.82
32%
-89
- C2 -
1FMC
2
HDHA_ECOLI
A:
[5-252]
--
D
N
L
R
L
D
G
K
C
A
I
I
T
G
A
G
A
G
I
G
K
E
I
A
I
T
F
A
T
A
G
A
S
V
V
V
-
S
D
I
N
A
D
A
-
A
N
H
V
V
D
E
I
Q
Q
L
---
G
G
Q
A
F
A
C
R
C
D
I
T
S
E
Q
E
L
S
A
L
A
D
F
A
I
S
K
L
G
K
V
D
I
L
V
N
N
A
G
--
G
G
G
P
K
P
-------------------
F
D
M
P
M
A
D
F
R
R
A
Y
E
L
N
V
F
S
F
F
H
L
S
Q
L
V
A
P
E
M
E
K
N
-
G
G
G
V
I
L
T
I
T
S
M
A
A
-
E
N
K
N
I
N
M
T
S
Y
A
S
S
K
A
A
A
S
H
L
V
R
N
M
A
F
D
L
G
E
K
N
I
R
V
N
G
I
A
P
G
A
I
---------
L
T
D
A
L
K
--
S
V
I
-
T
------
P
E
I
E
Q
K
M
L
Q
H
T
P
I
R
R
L
G
Q
P
Q
D
I
A
N
A
A
-
L
F
L
C
S
-
P
A
A
S
W
V
S
G
Q
I
L
T
V
S
G
G
G
V
Q
E
L
N
-
17
PsiBlast_PDB
90.73
31%
-96
- C2 -
4DML
-
?
A:
[4-246]
----
L
P
L
T
D
R
I
A
L
V
T
G
A
S
R
G
I
G
R
A
I
A
L
E
L
A
A
A
G
A
K
V
A
V
N
Y
A
S
S
A
G
A
-
A
D
E
V
V
A
A
I
A
A
A
---
G
G
E
A
F
A
V
K
A
D
V
S
Q
E
S
E
V
E
A
L
F
A
A
V
I
E
R
W
G
R
L
D
V
L
V
N
N
A
G
-------
I
T
R
D
T
-------------
L
L
L
R
M
K
R
D
D
W
Q
S
V
L
D
L
N
L
G
G
V
F
L
C
S
R
A
A
A
K
I
M
L
K
Q
-
R
S
G
R
I
I
N
I
A
S
V
V
G
-
E
M
G
N
P
G
Q
A
N
Y
S
A
A
K
A
G
V
I
G
L
T
K
T
V
A
K
E
L
A
S
R
G
I
T
V
N
A
V
A
P
G
F
I
---------
A
T
D
M
------------------
A
E
K
L
L
E
V
I
P
L
G
R
Y
G
E
A
A
E
V
A
G
V
V
-
R
F
L
A
A
D
P
A
A
A
Y
I
T
G
Q
V
I
N
I
D
G
G
L
V
M
A
---
3
PsiBlast_PDB
90.64
32%
-95
- C2 -
2C07
1
?
A:
[44-284]
--------
N
K
V
A
L
V
T
G
A
G
R
G
I
G
R
E
I
A
K
M
L
A
K
S
V
S
H
V
I
C
-
I
S
R
T
Q
K
S
-
C
D
S
V
V
D
E
I
K
S
F
---
G
Y
E
S
S
G
Y
A
G
D
V
S
K
K
E
E
I
S
E
V
I
N
K
I
L
T
E
H
K
N
V
D
I
L
V
N
N
A
G
-------
I
T
R
D
N
L
F
L
R
M
-----------
K
N
D
E
W
E
D
V
L
R
T
N
L
N
S
L
--
F
Y
I
T
Q
P
I
S
K
R
M
I
N
N
-
R
Y
G
R
I
I
N
I
S
S
I
V
G
-
L
T
G
N
V
G
Q
A
N
Y
S
S
S
K
A
G
V
I
G
F
T
K
S
L
A
K
E
L
A
S
R
N
I
T
V
N
A
I
A
P
G
F
I
---------
S
S
---------------
I
S
E
Q
I
K
K
N
I
I
S
N
I
P
A
G
R
M
G
T
P
E
E
V
A
N
L
A
-
C
F
L
S
S
D
K
-
S
G
Y
I
N
G
R
V
F
V
I
D
G
G
L
S
P
----
4
PsiBlast_PDB
90.17
30%
-89
- C2 -
1ZEM
1
?
A:
[3-262]
--
K
--
K
F
N
G
K
V
C
L
V
T
G
A
G
G
N
I
G
L
A
T
A
L
R
L
A
E
E
G
T
A
I
A
L
-
L
D
M
N
R
E
A
-
L
E
K
A
E
A
S
V
R
E
K
---
G
V
E
A
R
S
Y
V
C
D
V
T
S
E
E
A
V
I
G
T
V
D
S
V
V
R
D
F
G
K
I
D
F
L
F
N
N
A
G
--
Y
Q
G
A
F
A
P
V
Q
------
D
Y
P
-
S
D
D
----------
F
A
R
V
L
T
I
N
V
T
G
A
F
H
V
L
K
A
V
S
R
Q
M
I
T
Q
-
N
Y
G
R
I
V
N
T
A
S
M
A
G
-
V
K
G
P
P
N
M
A
A
Y
G
T
S
K
G
A
I
I
A
L
T
E
T
A
A
L
D
L
A
P
Y
N
I
R
V
N
A
I
S
P
G
Y
M
GPG
F
M
W
E
R
Q
V
E
L
Q
A
K
V
G
S
Q
Y
-
F
S
T
D
--
P
K
V
V
A
Q
Q
M
I
G
S
V
P
M
R
R
Y
G
D
I
N
E
I
P
G
V
V
A
F
L
L
G
D
D
--
S
S
F
M
T
G
V
N
L
P
I
A
G
G
-------
5
PsiBlast_PDB
90.11
28%
-100
- C2 -
4NI5
-
?
A:
[9-253]
----
M
R
F
K
D
K
V
V
I
V
T
G
G
A
S
G
I
G
E
A
T
A
R
A
F
I
R
E
G
A
K
V
V
I
-
A
D
F
S
D
--------------------
A
L
F
I
K
T
D
V
A
D
T
R
A
V
Q
A
L
I
A
R
T
V
E
N
Y
G
R
L
D
I
M
F
A
N
A
G
--------------
I
A
A
D
A
P
-
I
D
-----
E
L
D
E
A
A
W
Q
K
T
I
D
I
N
L
T
G
V
Y
L
C
D
K
Y
A
I
D
Q
M
R
S
Q
-
G
G
G
V
I
V
N
C
G
S
I
H
S
-
H
V
G
K
S
G
V
T
A
Y
A
A
A
K
G
G
V
K
L
L
T
Q
T
L
A
I
D
Y
G
P
Q
N
I
R
V
N
A
V
C
P
G
Y
I
---------
D
T
----------------
P
D
D
K
K
Q
A
L
V
A
L
H
P
M
G
R
L
G
R
A
E
E
V
A
N
A
V
-
L
F
L
A
S
D
E
-
A
S
F
V
N
G
A
S
L
L
V
D
G
G
Y
T
A
Q
---
1
PsiBlast_PDB
89.98
31%
-93
- C2 -
3GAF
-
?
A:
[9-249]
------
L
N
D
A
V
A
I
V
T
G
A
A
A
G
I
G
R
A
I
A
G
T
F
A
K
A
G
A
S
V
V
V
-
T
D
L
K
S
E
G
-
A
E
A
V
A
A
A
I
R
Q
A
---
G
G
K
A
I
G
L
E
C
N
V
T
D
E
Q
H
R
E
A
V
I
K
A
A
L
D
Q
F
G
K
I
T
V
L
V
N
N
A
G
--
G
G
G
P
K
P
-------------------
F
D
M
P
M
S
D
F
E
W
A
F
K
L
N
L
F
S
L
F
R
L
S
Q
L
A
A
P
H
M
Q
K
A
-
G
G
G
A
I
L
N
I
S
S
M
A
G
-
E
N
T
N
V
R
M
A
S
Y
G
S
S
K
A
A
V
N
H
L
T
R
N
I
A
F
D
V
G
P
M
G
I
R
V
N
A
I
A
P
G
A
I
---------
K
T
D
A
L
A
--
T
V
L
-
T
P
E
----
I
E
R
A
--
M
L
K
H
T
P
L
G
R
L
G
E
A
Q
D
I
A
N
A
A
-
L
F
L
C
-
S
P
A
A
A
W
I
S
G
Q
V
L
T
V
S
G
G
G
V
Q
E
---
9
PsiBlast_PDB
89.77
28%
-96
- C2 -
4U8G
-
?
A:
[11-266]
-----
S
L
E
G
K
V
A
L
I
T
G
A
S
Y
G
I
G
F
S
I
A
T
A
F
A
R
A
G
A
T
I
V
F
-
N
D
I
K
Q
E
L
-
V
D
K
G
I
S
A
Y
K
K
L
---
G
I
K
A
H
G
Y
V
C
D
V
T
D
E
D
G
I
N
E
M
V
D
K
I
S
Q
D
V
G
V
I
D
I
L
V
N
N
A
G
-------------------
I
-
I
K
R
T
P
M
L
E
M
S
A
A
D
F
R
Q
V
I
D
I
D
L
N
A
P
F
I
V
S
K
A
V
L
P
G
M
I
Q
K
-
G
H
G
K
I
I
N
I
C
A
M
M
S
-
E
L
G
R
E
T
V
A
A
Y
A
A
A
K
G
G
L
K
M
L
T
K
N
I
A
S
E
Y
G
S
A
N
I
Q
C
N
G
I
G
P
G
Y
I
---------
A
T
P
Q
T
A
--
P
L
R
E
R
Q
D
D
G
S
R
H
P
F
D
Q
F
I
I
A
K
T
P
A
A
R
W
G
E
A
E
D
L
G
A
P
A
-
I
F
L
A
S
D
-
A
S
N
F
I
N
G
H
I
L
Y
V
D
G
G
I
L
A
Y
I
G
K
42
HHSearch
89.75
30%
-88
- C2 -
3UF0
1
?
A:
[25-272]
--
G
P
F
S
L
A
G
R
T
A
V
V
T
G
A
G
S
G
I
G
R
A
I
A
H
G
Y
A
R
A
G
A
H
V
L
A
-
W
G
R
T
D
G
--
V
K
E
V
A
D
E
I
A
D
G
---
G
G
S
A
E
A
V
V
A
D
L
A
D
L
E
G
A
A
N
V
A
E
E
L
A
A
-
T
R
R
V
D
V
L
V
N
N
A
G
--
I
I
A
R
A
P
------------------
A
E
E
V
S
L
G
R
W
R
E
V
L
T
V
N
L
D
A
A
W
V
L
S
R
S
F
G
T
A
M
L
A
H
-
G
S
G
R
I
V
T
I
A
S
M
L
S
-
F
Q
G
G
R
N
V
A
A
Y
A
A
S
K
H
A
V
V
G
L
T
R
A
L
A
S
E
W
A
G
R
G
V
G
V
N
A
L
A
P
G
Y
V
---------
V
T
A
N
T
A
--
A
L
R
-
A
D
-----
D
E
R
A
A
E
I
T
A
R
I
P
A
G
R
W
A
T
P
E
D
M
V
G
P
A
-
V
F
L
A
S
-
D
A
A
S
Y
V
H
G
Q
V
L
A
V
D
G
G
W
L
A
S
---
41
HHSearch
89.61
29%
-88
- C2 -
1GEE
1
DHG_BACME
A:
[1-253]
--
M
Y
K
D
L
E
G
K
V
V
V
I
T
G
S
S
T
G
L
G
K
S
M
A
I
R
F
A
T
E
K
A
K
V
V
V
-
N
Y
R
S
K
E
D
E
A
N
S
V
L
E
E
I
K
K
V
---
G
G
E
A
I
A
V
K
G
D
V
T
V
E
S
D
V
I
N
L
V
Q
S
A
I
K
E
F
G
K
L
D
V
M
I
N
N
A
G
--
L
E
N
P
V
S
------------------
S
H
E
M
S
L
S
D
W
N
K
V
I
D
T
N
L
T
G
A
F
L
G
S
R
E
A
I
K
Y
F
V
E
N
D
I
K
G
T
V
I
N
M
S
S
V
H
E
-
K
I
P
W
P
L
F
V
H
Y
A
A
S
K
G
G
M
K
L
M
T
E
T
L
A
L
E
Y
A
P
K
G
I
R
V
N
N
I
G
P
G
A
I
---------
N
T
P
I
N
A
--
E
K
F
-
A
D
P
-----
E
Q
R
A
D
V
E
S
M
I
P
M
G
Y
I
G
E
P
E
E
I
A
A
V
A
-
A
W
L
A
S
S
E
-
A
S
Y
V
T
G
I
T
L
F
A
D
G
G
M
T
L
Y
P
S
F
26
PsiBlast_CBE
89.05
31%
-93
- C2 -
4DMM
1
?
B:
[24-266]
----
L
P
L
T
D
R
I
A
L
V
T
G
A
S
R
G
I
G
R
A
I
A
L
E
L
A
A
A
G
A
K
V
A
V
N
Y
A
S
S
A
G
A
-
A
D
E
V
V
A
A
I
A
A
A
---
G
G
E
A
F
A
V
K
A
D
V
S
Q
E
S
E
V
E
A
L
F
A
A
V
I
E
R
W
G
R
L
D
V
L
V
N
N
A
G
-------
I
T
R
D
T
-------------
L
L
L
R
M
K
R
D
D
W
Q
S
V
L
D
L
N
L
G
G
V
F
L
C
S
R
A
A
A
K
I
M
L
K
Q
-
R
S
G
R
I
I
N
I
A
S
V
V
G
-
E
M
G
N
P
G
Q
A
N
Y
S
A
A
K
A
G
V
I
G
L
T
K
T
V
A
K
E
L
A
S
R
G
I
T
V
N
A
V
A
P
G
F
I
---------
A
T
D
M
T
S
-------------------
L
L
E
V
I
P
L
G
R
Y
G
E
A
A
E
V
A
G
V
V
-
R
F
L
A
A
D
P
A
A
A
Y
I
T
G
Q
V
I
N
I
D
G
G
L
V
M
A
---
7
PsiBlast_PDB
88.95
28%
-87
- C2 -
3O03
3
?
A:
[31-286]
-----
S
L
K
G
K
I
A
L
V
T
G
A
S
Y
G
I
G
F
A
I
A
S
A
Y
A
K
A
G
A
T
I
V
F
-
N
D
I
N
Q
E
L
-
V
D
R
G
M
A
A
Y
K
A
A
---
G
I
N
A
H
G
Y
V
C
D
V
T
D
E
D
G
I
Q
A
M
V
A
Q
I
E
S
E
V
G
I
I
D
I
L
V
N
N
A
G
-------------------
I
-
I
R
R
V
P
M
I
E
M
T
A
A
Q
F
R
Q
V
I
D
I
D
L
N
A
P
F
I
V
S
K
A
V
I
P
S
M
I
K
K
-
G
H
G
K
I
I
N
I
C
S
M
M
S
-
E
L
G
R
E
T
V
S
A
Y
A
A
A
K
G
G
L
K
M
L
T
K
N
I
A
S
E
Y
G
E
A
N
I
Q
C
N
G
I
G
P
G
Y
I
---------
A
T
P
Q
T
--------------
H
P
F
D
Q
F
I
I
A
K
T
P
A
A
R
W
G
E
A
E
D
L
M
G
P
A
-
V
F
L
A
S
D
-
A
S
N
F
V
N
G
H
I
L
Y
V
D
G
G
I
L
A
Y
I
G
K
2
PsiBlast_PDB
88.84
30%
-94
- C2 -
3WOH
-
?
A:
[9-250]
------
L
S
G
K
V
A
L
V
T
G
G
S
R
G
L
G
R
A
M
A
L
R
L
A
R
D
G
A
A
V
A
I
-
V
Y
V
S
D
D
S
S
A
K
E
T
Q
G
E
I
E
R
L
---
G
G
T
A
R
S
Y
R
C
D
V
S
D
A
E
Q
V
T
R
C
V
K
A
V
T
A
D
L
G
P
V
D
I
L
V
N
N
A
G
I
I
R
D
G
L
A
A
S
I
K
D
E
D
Y
D
A
--------------------
V
M
N
T
N
L
K
G
A
F
L
F
I
K
A
C
Y
F
G
F
I
R
K
-
R
S
G
S
I
I
N
I
S
S
V
S
G
-
V
F
G
S
A
G
Q
A
N
Y
A
S
A
K
A
G
L
I
G
L
T
K
S
I
A
K
E
L
A
E
R
N
V
R
C
N
A
V
A
P
G
L
I
---------
A
T
D
----------------------
R
L
D
P
V
P
M
R
R
F
G
R
P
D
E
V
A
G
L
V
-
A
F
L
A
G
D
E
-
S
S
Y
I
T
G
Q
V
V
C
V
D
G
G
M
A
M
----
12
PsiBlast_PDB
88.67
31%
-90
- C2 -
1AHH
1
HDHA_ECOLI
A:
[7-249]
----
L
R
L
D
G
K
C
A
I
I
T
G
A
G
A
G
I
G
K
E
I
A
I
T
F
A
T
A
G
A
S
V
V
V
-
S
D
I
N
A
D
A
-
A
N
H
V
V
D
E
I
Q
Q
L
---
G
G
Q
A
F
A
C
R
C
D
I
T
S
E
Q
E
L
S
A
L
A
D
F
A
I
S
K
L
G
K
V
D
I
L
V
N
N
A
G
--
G
G
G
P
K
--------
P
F
D
M
P
M
A
D
F
R
R
A
Y
E
L
N
------
V
F
S
F
F
H
L
-----
S
Q
L
V
A
P
E
M
E
K
N
-
G
G
G
V
I
L
T
I
T
S
M
A
A
-
E
N
K
N
I
N
M
T
S
Y
A
S
S
K
A
A
A
S
H
L
V
R
N
M
A
F
D
L
G
E
K
N
I
R
V
N
G
I
A
P
G
A
I
---------
L
T
D
A
L
K
--
S
V
I
-
T
P
E
I
E
Q
------
K
M
L
Q
H
T
P
I
R
R
L
G
Q
P
Q
D
I
A
N
A
A
-
L
F
L
C
-
S
P
A
A
S
W
V
S
G
Q
I
L
T
V
S
G
G
G
V
Q
E
---
24
PsiBlast_CBE
88.23
31%
-97
- C2 -
4DMM
1
?
D:
[24-266]
----
L
P
L
T
D
R
I
A
L
V
T
G
A
S
R
G
I
G
R
A
I
A
L
E
L
A
A
A
G
A
K
V
A
V
N
Y
A
S
S
A
G
A
-
A
D
E
V
V
A
A
I
A
A
A
---
G
G
E
A
F
A
V
K
A
D
V
S
Q
E
S
E
V
E
A
L
F
A
A
V
I
E
R
W
G
R
L
D
V
L
V
N
N
A
G
-------
I
T
R
D
T
-------------
L
L
L
R
M
K
R
D
D
W
Q
S
V
L
D
L
N
L
G
G
V
F
L
C
S
R
A
A
A
K
I
M
L
K
Q
-
R
S
G
R
I
I
N
I
A
S
V
V
G
-
E
M
G
N
P
G
Q
A
N
Y
S
A
A
K
A
G
V
I
G
L
T
K
T
V
A
K
E
L
A
S
R
G
I
T
V
N
A
V
A
P
G
F
I
---------
A
T
----------------------
K
L
L
E
V
I
P
L
G
R
Y
G
E
A
A
E
V
A
G
V
V
-
R
F
L
A
A
D
P
A
A
A
Y
I
T
G
Q
V
I
N
I
D
G
G
L
V
M
A
---
18
PsiBlast_PDB
87.86
31%
-93
- C2 -
4DMM
1
?
A:
[24-266]
----
L
P
L
T
D
R
I
A
L
V
T
G
A
S
R
G
I
G
R
A
I
A
L
E
L
A
A
A
G
A
K
V
A
V
N
Y
A
S
S
A
G
A
-
A
D
E
V
V
A
A
I
A
A
A
---
G
G
E
A
F
A
V
K
A
D
V
S
Q
E
S
E
V
E
A
L
F
A
A
V
I
E
R
W
G
R
L
D
V
L
V
N
N
A
G
-------
I
T
R
D
T
-------------
L
L
L
R
M
K
R
D
D
W
Q
S
V
L
D
L
N
L
G
G
V
F
L
C
S
R
A
A
A
K
I
M
L
K
Q
-
R
S
G
R
I
I
N
I
A
S
V
V
G
-
E
M
G
N
P
G
Q
A
N
Y
S
A
A
K
A
G
V
I
G
L
T
K
T
V
A
K
E
L
A
S
R
G
I
T
V
N
A
V
A
P
G
F
I
---------
A
T
D
M
T
S
--
E
L
A
-----------
A
E
K
L
L
E
V
I
P
L
G
R
Y
G
E
A
A
E
V
A
G
V
V
-
R
F
L
A
A
D
P
A
A
A
Y
I
T
G
Q
V
I
N
I
D
G
G
L
V
M
A
---
6
PsiBlast_PDB
87.77
28%
-92
- C2 -
3CXR
-
?
A:
[11-266]
-----
S
L
K
G
K
I
A
L
V
T
G
A
S
Y
G
I
G
F
A
I
A
S
A
Y
A
K
A
G
A
T
I
V
F
-
N
D
I
N
Q
E
L
-
V
D
R
G
M
A
A
Y
K
A
A
---
G
I
N
A
H
G
Y
V
C
D
V
T
D
E
D
G
I
Q
A
M
V
A
Q
I
E
S
E
V
G
I
I
D
I
L
V
N
N
A
G
-------------------
I
-
I
R
R
V
P
M
I
E
M
T
A
A
Q
F
R
Q
V
I
D
I
D
L
N
A
P
F
I
V
S
K
A
V
I
P
S
M
I
K
K
-
G
H
G
K
I
I
N
I
C
S
M
M
S
-
E
L
G
R
E
T
V
S
A
Y
A
A
A
K
G
G
L
K
M
L
T
K
N
I
A
S
E
Y
G
E
A
N
I
Q
C
N
G
I
G
P
G
Y
I
---------
A
T
P
Q
T
A
--
P
L
R
E
L
------
H
P
F
D
Q
F
I
I
A
K
T
P
A
A
R
W
G
E
A
E
D
L
M
G
P
A
-
V
F
L
A
S
D
-
A
S
N
F
V
N
G
H
I
L
Y
V
D
G
G
I
L
A
Y
I
G
K
21
PsiBlast_CBE
87.06
31%
-91
- C2 -
1FMC
2
HDHA_ECOLI
B:
[7-249]
----
L
R
L
D
G
K
C
A
I
I
T
G
A
G
A
G
I
G
K
E
I
A
I
T
F
A
T
A
G
A
S
V
V
V
-
S
D
I
N
A
D
A
-
A
N
H
V
V
D
E
I
Q
Q
L
---
G
G
Q
A
F
A
C
R
C
D
I
T
S
E
Q
E
L
S
A
L
A
D
F
A
I
S
K
L
G
K
V
D
I
L
V
N
N
A
G
--
G
G
G
P
K
--------
P
F
D
M
P
M
A
D
F
R
R
A
Y
E
L
N
------
V
F
S
F
F
H
L
-----
S
Q
L
V
A
P
E
M
E
K
N
-
G
G
G
V
I
L
T
I
T
S
M
A
A
-
E
N
K
N
I
N
M
T
S
Y
A
S
S
K
A
A
A
S
H
L
V
R
N
M
A
F
D
L
G
E
K
N
I
R
V
N
G
I
A
P
G
A
I
---------
L
T
D
A
L
K
--
S
V
I
-
T
P
E
I
E
Q
------
K
M
L
Q
H
T
P
I
R
R
L
G
Q
P
Q
D
I
A
N
A
A
-
L
F
L
C
-
S
P
A
A
S
W
V
S
G
Q
I
L
T
V
S
G
G
G
V
Q
E
L
N
-