@TOME V2.3
(Mar 2018)
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 : Q3XX03: (2018-01-01 )
MTKEIISSKDLHLYYGKKEALKGIDLSFNQGEITAMIGPSGCGKSTYLRSLNRMNDLIPNVTITGSVLYKDKDIYGPKTDVVELRKEIGMVFQQPNPFPFSIYENVIYGLKLKGEKDKKVLDQVVEESLKAASVWDDVKDKLHKSALSLSGGQQQRVCIARVLAVNPEIILLDEPTSALDPVSTGKIESMLLELRERYTMIIVTHNMSQASRISDKTAFFLDGHLIEYNDTKKIFMNPEKQETEDYISGRFG
Atome Classification :
(33 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
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
T
K
E
IISSK
D
L
H
L
Y
Y----GK-
K
E
ALKGIDLSFNQ
G
E
I
T
A
M
IGPSGCG
K
S
T
Y
L
R
S
L
N
R
M
N
D
LIP---N
V
T
I
-
T
G
S
V
---
L
Y
K-DKD---IYGPK
T
D
V
V
E
L
R
K
----
E
-
I
G
M
VFQQP----NPF
P
-
F
-
S
I
Y
EN
V
I
Y
G
-
L
--
K
LKG-----E
K
-
D
K
K
V
L
----
D
Q
V
V
E
E
S
L
K
-
A
A
S
V
W
D
D
V
-------
K
D
K
L
H
K
S
A
LSLSGGQ
Q
Q
R
V
C
I
A
R
V
LAVNP
E
I
I
L
LDEPTSALDPVSTG
K
I
--
E
S
M
L
L
E
L
-
R
E-R--
Y
T
M
I
I
V
THNM
S
Q
A
SRISDK
T
A
F
F
LD
G
H
L
I
EYNDT
K
K
I
F
MNP
E
K
Q
E
T
E
D
Y
ISGRFG
92
PsiBlast_CBE
89.46
34%
0
- C- -
-
4FWI
2
?
B:
[4-266]
----
I
I
R
V
E
D
L
R
A
V
Y
LVRE
G
T
-
I
K
A
A
D
G
I
S
L
D
I
L
E
N
S
V
T
A
I
V
G
E
S
A
S
G
K
S
T
I
I
E
A
M
T
K
--
T
L
P
P
---
N
G
R
I
L
S
G
R
V
---
L
Y
K
-
G
K
D
---
L
L
T
M
R
E
E
--
E
L
R
K
IRWK
E
-
I
A
L
V
P
Q
A
A
QQSL
N
P
T
--
M
-
K
V
I
E
H
F
K
D
T
-
V
--
E
A
H
G
-----
V
R
W
S
H
S
E
L
----
I
E
K
A
S
E
K
L
R
-
M
V
R
L
--
N
P
-------
E
A
V
L
N
S
Y
P
L
Q
L
S
G
G
M
K
Q
R
V
L
I
A
L
A
L
L
L
D
P
V
V
L
I
L
D
E
P
T
S
A
L
D
V
L
T
Q
A
H
I
IQ
L
L
K
E
L
K
K
-
M
L
-
K
--
I
T
L
I
F
V
T
H
D
I
A
V
A
A
E
L
A
D
K
V
A
V
I
Y
G
G
N
L
V
E
Y
N
S
T
F
Q
I
F
K
N
P
L
H
P
Y
T
R
G
L
I
N
----
1
PsiBlast_PDB
82.95
39%
-25
* C1 *
-
2OLJ
3
?
A:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
7
PsiBlast_PDB
82.50
36%
-43
- C1 -
-
4U00
1
?
A:
[4-239]
----
I
I
R
I
R
N
L
H
K
W
F
----
G
P
-
L
H
V
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
---
G
E
V
V
-
V
D
G
L
---
S
V
K
-
D
D
---------
R
A
L
R
E
I
R
R
----
E
-
V
G
M
V
F
Q
Q
F
----
N
L
F
P
H
M
-
T
V
L
E
N
V
T
L
A
-
P
--
M
R
V
R
-----
R
W
-
P
R
E
K
A
----
E
K
K
A
L
E
L
L
E
-
R
V
G
I
L
D
Q
A
-------
R
----
K
Y
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
D
V
M
R
D
L
-
A
Q
G
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
A
D
R
V
V
F
M
D
G
G
Q
I
V
E
E
G
R
P
E
E
I
F
T
R
P
K
E
E
R
T
R
S
F
L
Q
----
6
PsiBlast_PDB
82.02
39%
-22
- C1 -
-
3C41
2
?
J:
[2-242]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
5
PsiBlast_PDB
81.80
39%
-25
- C1 -
-
3C4J
2
?
A:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
27
PsiBlast_CBE
81.57
39%
-27
- C1 -
-
2OLK
1
?
C:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
2
PsiBlast_PDB
80.93
39%
-28
- C1 -
-
2OLK
1
?
A:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
8
PsiBlast_PDB
80.74
36%
-42
- C1 -
-
4U02
-
?
A:
[4-239]
----
I
I
R
I
R
N
L
H
K
W
F
----
G
P
-
L
H
V
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
---
G
E
V
V
-
V
D
G
L
---
S
V
K
-
D
D
---------
R
A
L
R
E
I
R
R
----
E
-
V
G
M
V
F
Q
Q
F
----
N
L
F
P
H
M
-
T
V
L
E
N
V
T
L
A
-
P
--
M
R
V
R
-----
R
W
-
P
R
E
K
A
----
E
K
K
A
L
E
L
L
E
-
R
V
G
I
L
D
Q
A
-------
R
----
K
Y
P
A
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
D
V
M
R
D
L
-
A
Q
G
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
A
D
R
V
V
F
M
D
G
G
Q
I
V
E
E
G
R
P
E
E
I
F
T
R
P
K
E
E
R
T
R
S
F
L
Q
----
30
PsiBlast_CBE
80.45
39%
-24
- C1 -
-
3C41
2
?
K:
[2-242]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
29
PsiBlast_CBE
80.28
39%
-20
- C1 -
-
2OLJ
2
?
B:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
3
PsiBlast_PDB
80.09
39%
-26
- C1 -
-
2OUK
-
?
A:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
26
PsiBlast_CBE
79.96
39%
-25
- C1 -
-
2OLK
1
?
D:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
22
PsiBlast_CBE
79.78
39%
-32
- C1 -
-
2Q0H
3
?
B:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
21
PsiBlast_CBE
79.66
39%
-21
- C1 -
-
3C4J
2
?
B:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
28
PsiBlast_CBE
79.56
39%
-25
- C1 -
-
2OLK
2
?
B:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
4
PsiBlast_PDB
79.32
39%
-19
- C1 -
-
2Q0H
3
?
A:
[23-263]
---
Q
M
I
D
V
H
Q
L
K
K
S
F
----
G
S
-
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
E
D
F
D
E
---
G
E
I
I
-
I
D
G
I
---
N
L
K
-
A
K
D
--------
T
N
L
N
K
V
R
E
----
E
-
V
G
M
V
F
Q
R
F
----
N
L
F
P
-----
H
M
T
V
L
N
N
-
I
--
T
L
A
P
-----
M
K
-
V
R
K
W
P
----
R
E
K
A
E
A
--
K
-
A
M
E
L
L
D
K
V
GL-----
K
D
K
A
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
--
L
S
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
Q
H
E
R
T
K
A
F
L
S
K
V
F
-
13
PsiBlast_PDB
73.74
35%
-36
- C1 -
-
4YMW
-
?
J:
[1-237]
----
M
I
F
V
N
D
V
Y
K
N
F
----
G
S
-
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
--------
P
T
-
K
G
E
V
---
F
I
D
-
G
V
K
---
I
N
N
G
K
V
N
I
N
K
V
R
Q
----
K
-
V
G
M
V
F
Q
H
F
----
N
L
F
P
H
L
-
T
A
I
E
N
I
T
L
A
P
V
--
K
V
K
------
K
M
-
N
K
K
E
A
----
E
E
L
A
V
D
L
L
A
-
K
V
G
L
L
D
-----------
K
K
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
--
L
N
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
F
Y
R
A
K
N
E
R
T
R
E
F
L
S
----
34
PsiBlast_CBE
73.33
35%
-36
- C1 -
-
4YMV
1
?
A:
[1-237]
----
M
I
F
V
N
D
V
Y
K
N
F
----
G
S
-
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
--------
P
T
-
K
G
E
V
---
F
I
D
-
G
V
K
---
I
N
N
G
K
V
N
I
N
K
V
R
Q
----
K
-
V
G
M
V
F
Q
H
F
----
N
L
F
P
H
L
-
T
A
I
E
N
I
T
L
A
P
V
--
K
V
K
------
K
M
-
N
K
K
E
A
----
E
E
L
A
V
D
L
L
A
-
K
V
G
L
L
D
-----------
K
K
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
--
L
N
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
F
Y
R
A
K
N
E
R
T
R
E
F
L
S
----
10
PsiBlast_PDB
72.72
35%
-31
- C1 -
-
4YMT
-
?
J:
[1-237]
----
M
I
F
V
N
D
V
Y
K
N
F
----
G
S
-
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
--------
P
T
-
K
G
E
V
---
F
I
D
-
G
V
K
---
I
N
N
G
K
V
N
I
N
K
V
R
Q
----
K
-
V
G
M
V
F
Q
H
F
----
N
L
F
P
H
L
-
T
A
I
E
N
I
T
L
A
P
V
--
K
V
K
------
K
M
-
N
K
K
E
A
----
E
E
L
A
V
D
L
L
A
-
K
V
G
L
L
D
-----------
K
K
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
--
L
N
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
F
Y
R
A
K
N
E
R
T
R
E
F
L
S
----
9
PsiBlast_PDB
72.52
35%
-30
- C1 -
-
4YMS
-
?
J:
[1-237]
----
M
I
F
V
N
D
V
Y
K
N
F
----
G
S
-
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
--------
P
T
-
K
G
E
V
---
F
I
D
-
G
V
K
---
I
N
N
G
K
V
N
I
N
K
V
R
Q
----
K
-
V
G
M
V
F
Q
H
F
----
N
L
F
P
H
L
-
T
A
I
E
N
I
T
L
A
P
V
--
K
V
K
------
K
M
-
N
K
K
E
A
----
E
E
L
A
V
D
L
L
A
-
K
V
G
L
L
D
-----------
K
K
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
--
L
N
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
F
Y
R
A
K
N
E
R
T
R
E
F
L
S
----
12
PsiBlast_PDB
72.13
35%
-31
- C1 -
-
4YMV
1
?
J:
[1-237]
----
M
I
F
V
N
D
V
Y
K
N
F
----
G
S
-
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
--------
P
T
-
K
G
E
V
---
F
I
D
-
G
V
K
---
I
N
N
G
K
V
N
I
N
K
V
R
Q
----
K
-
V
G
M
V
F
Q
H
F
----
N
L
F
P
H
L
-
T
A
I
E
N
I
T
L
A
P
V
--
K
V
K
------
K
M
-
N
K
K
E
A
----
E
E
L
A
V
D
L
L
A
-
K
V
G
L
L
D
-----------
K
K
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
--
L
N
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
F
Y
R
A
K
N
E
R
T
R
E
F
L
S
----
11
PsiBlast_PDB
71.26
35%
-30
- C1 -
-
4YMU
1
?
J:
[1-237]
----
M
I
F
V
N
D
V
Y
K
N
F
----
G
S
-
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
--------
P
T
-
K
G
E
V
---
F
I
D
-
G
V
K
---
I
N
N
G
K
V
N
I
N
K
V
R
Q
----
K
-
V
G
M
V
F
Q
H
F
----
N
L
F
P
H
L
-
T
A
I
E
N
I
T
L
A
P
V
--
K
V
K
------
K
M
-
N
K
K
E
A
----
E
E
L
A
V
D
L
L
A
-
K
V
G
L
L
D
-----------
K
K
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
--
L
N
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
F
Y
R
A
K
N
E
R
T
R
E
F
L
S
----
35
PsiBlast_CBE
71.20
35%
-30
- C1 -
-
4YMU
1
?
A:
[1-237]
----
M
I
F
V
N
D
V
Y
K
N
F
----
G
S
-
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
--------
P
T
-
K
G
E
V
---
F
I
D
-
G
V
K
---
I
N
N
G
K
V
N
I
N
K
V
R
Q
----
K
-
V
G
M
V
F
Q
H
F
----
N
L
F
P
H
L
-
T
A
I
E
N
I
T
L
A
P
V
--
K
V
K
------
K
M
-
N
K
K
E
A
----
E
E
L
A
V
D
L
L
A
-
K
V
G
L
L
D
-----------
K
K
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
--
L
N
V
M
K
Q
L
A
N
E
-
G
--
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
F
Y
R
A
K
N
E
R
T
R
E
F
L
S
----
132
PsiBlast_CBE
66.85
32%
-31
- C1 -
-
3FVQ
2
FBPC_NEIG1
A:
[20-244]
-------------------------
L
N
D
I
S
L
S
L
D
P
G
E
I
L
F
I
I
G
A
S
G
C
G
K
T
T
L
L
R
C
L
A
G
F
E
Q
--
P
---
D
----
S
G
E
I
---
S
L
S
-
G
K
T
---
I
F
S
K
N
T
N
L
P
V
R
E
R
----
R
-
L
G
Y
L
V
Q
E
G
----
V
L
F
P
H
L
-
T
V
Y
R
N
I
A
Y
G
-
L
--
G
-
N
G
-----
K
G
-
R
T
A
Q
E
----
R
Q
R
I
E
A
M
L
E
-
L
T
G
I
S
E
L
A
-------
G
R
Y
P
H
E
----
L
S
G
G
Q
Q
Q
R
A
A
L
A
R
A
L
A
P
D
P
E
L
I
L
L
D
E
P
F
S
A
L
D
E
Q
L
R
R
Q
I
R
-
E
D
M
I
A
A
L
-
R
A
-
N
G-
K
S
A
V
F
V
S
H
D
R
E
E
A
L
Q
Y
A
D
R
I
A
V
M
K
Q
G
R
I
L
Q
T
A
S
P
H
E
L
Y
R
Q
P
A
D
L
D
A
A
L
F
I
-----
51
PsiBlast_CBE
66.30
35%
10
- C1 -
-
1B0U
1
HISP_SALTY
A:
[5-255]
---
N
K
L
H
V
I
D
L
H
K
R
Y
----
G
G
-
H
E
V
L
K
G
V
S
L
Q
A
R
A
G
D
V
I
S
I
I
G
S
S
G
S
G
K
S
T
F
L
R
C
I
N
F
L
E
K
P
S
E
---
G
A
I
I
-
V
N
G
Q
NI
N
L
V
R
-
D
K
D
GQL
K
V
A
D
K
N
Q
L
R
L
L
R
T
----
R
-
L
T
M
V
F
Q
H
F
----
N
L
W
S
H
M
-
T
V
L
E
N
V
M
---------------
E
A
-
P
I
Q
V
L
GLS
K
H
D
A
R
E
R
A
L
K
Y
L
A
K
V
G
I
D
E
-------
R
A
Q
-
G
K
Y
P
V
H
L
S
G
G
Q
Q
Q
R
V
S
I
A
R
A
L
A
M
E
P
D
V
L
L
F
D
E
P
T
S
A
L
D
P
E
L
V
G
E
V
--
L
R
I
M
Q
Q
L
-
A
E
-
E
G-
K
T
M
V
V
V
T
H
E
M
G
F
A
R
H
V
S
S
H
V
I
F
L
H
Q
G
K
I
E
E
E
G
D
P
E
Q
V
F
G
N
P
Q
S
P
R
L
Q
Q
F
L
K
G
---
131
PsiBlast_CBE
65.35
32%
-27
- C1 -
-
3FVQ
2
FBPC_NEIG1
B:
[20-239]
-------------------------
L
N
D
I
S
L
S
L
D
P
G
E
I
L
F
I
I
G
A
S
G
C
G
K
T
T
L
L
R
C
L
A
G
F
E
Q
--
P
---
D
----
S
G
E
I
---
S
L
S
-
G
K
T
---
I
F
S
K
N
T
N
L
P
V
R
E
R
----
R
-
L
G
Y
L
V
Q
E
G
----
V
L
F
P
H
L
-
T
V
Y
R
N
I
A
Y
G
-
L
--
G
-
N
G
-----
K
G
-
R
T
A
Q
E
----
R
Q
R
I
E
A
M
L
E
-
L
T
G
I
S
E
L
A
-------
G
R
Y
P
H
E
----
L
S
G
G
Q
Q
Q
R
A
A
L
A
R
A
L
A
P
D
P
E
L
I
L
L
D
E
P
F
S
A
L
D
E
Q
L
R
R
Q
I
R-
E
D
M
I
A
A
L
-
R
A
-
N
G-
K
S
A
V
F
V
S
H
D
R
E
E
A
L
Q
Y
A
D
R
I
A
V
M
K
Q
G
R
I
L
Q
T
A
S
P
H
E
L
Y
R
Q
P
A
D
L
D
A
A
L
F
I
-----
109
PsiBlast_CBE
59.03
36%
15
- C1 -
-
1L2T
3
Y796_METJA
A:
[20-223]
------------------------
A
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
---
G
E
V
Y
-
I
D
N
I
---
K
T
N
-
D
L
D
-------
D
D
E
L
T
K
I
R
R
----
D
K
I
G
F
V
F
Q
Q
F
----
N
L
I
P
-
L
L
T
A
L
E
N
V
E
L
P
-
L
IF
K
Y
R
G
A
M
S
G
E
E
R
-
R
K
R
A
L
---------
E
C
L
K
-
M
A
E
L
E
E
R
F
-------
A
N
--
H
K
P
N
-
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
G
A
L
D
S
K
T
G
E
K
I
--
M
Q
L
L
K
K
L
-
N
E
-
E
DG
K
T
V
V
V
V
T
H
D
I
N
V
A
-
R
F
G
E
R
I
I
Y
L
K
D
G
E
V
---------------------------
110
PsiBlast_CBE
58.95
36%
6
- C1 -
-
3TIF
3
Y796_METJA
B:
[20-223]
------------------------
A
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
---
G
E
V
Y
-
I
D
N
I
---
K
T
N
-
D
L
D
-------
D
D
E
L
T
K
I
R
R
----
D
K
I
G
F
V
F
Q
Q
F
----
N
L
I
P
-
L
L
T
A
L
E
N
V
E
L
P
-
L
IF
K
Y
R
G
AMSGE
E
R
-
R
K
R
A
L
---------
E
C
L
K
-
M
A
E
L
E
E
R
F
-------
A
N
--
H
K
P
N
-
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
W
A
L
D
S
K
T
G
E
K
I
--
M
Q
L
L
K
K
L
-
N
E
-
E
DG
K
T
V
V
V
V
T
H
D
I
N
V
A
-
R
F
G
E
R
I
I
Y
L
K
D
G
E
V
---------------------------
111
PsiBlast_CBE
58.74
36%
9
- C1 -
-
3TIF
4
Y796_METJA
A:
[20-223]
------------------------
A
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
---
G
E
V
Y
-
I
D
N
I
---
K
T
N
-
D
L
D
-------
D
D
E
L
T
K
I
R
R
----
D
K
I
G
F
V
F
Q
Q
F
----
N
L
I
P
-
L
L
T
A
L
E
N
V
E
L
P
-
L
IF
K
Y
R
G
A
M
S
G
E
E
R
-
R
K
R
A
L
---------
E
C
L
K
-
M
A
E
L
E
E
R
F
-------
A
N
--
H
K
P
N
-
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
W
A
L
D
S
K
T
G
E
K
I
--
M
Q
L
L
K
K
L
-
N
E
-
E
DG
K
T
V
V
V
V
T
H
D
I
N
V
A
-
R
F
G
E
R
I
I
Y
L
K
D
G
E
V
---------------------------
108
PsiBlast_CBE
58.12
36%
13
- C1 -
-
1L2T
3
Y796_METJA
B:
[20-223]
------------------------
A
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
D
K
P
T
E
---
G
E
V
Y
-
I
D
N
I
---
K
T
N
-
D
L
D
-------
D
D
E
L
T
K
I
R
R
----
D
K
I
G
F
V
F
Q
Q
F
----
N
L
I
P
-
L
L
T
A
L
E
N
V
E
L
P
-
L
IF
K
Y
R
G
AMSGE
E
R
-
R
K
R
A
L
---------
E
C
L
K
-
M
A
E
L
E
E
R
F
-------
A
N
--
H
K
P
N
-
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
G
A
L
D
S
K
T
G
E
K
I
--
M
Q
L
L
K
K
L
-
N
E
-
E
DG
K
T
V
V
V
V
T
H
D
I
N
V
A
-
R
F
G
E
R
I
I
Y
L
K
D
G
E
V
---------------------------
99
PsiBlast_CBE
51.56
32%
-26
- C1 -
-
3NH9
3
A:
[54-268]
-----
I
E
F
E
N
V
H
F
S
Y
----
A
D
G
R
E
T
L
Q
D
V
S
F
T
V
M
P
G
Q
T
L
A
L
V
G
P
S
G
A
G
K
S
T
I
L
R
L
L
F
R
F
Y
D
I
S
---------
S
G
C
I
---
R
I
D
-
G
Q
D
---
I
--
S
Q
V
T
Q
A
S
L
R
S
----
H
-
I
G
V
V
P
Q
D
T
----
V
L
F
N
-
D
-
T
I
A
D
N
I
R
Y
G
-
R
--
V
T
A
G
-----
N
D
-
E
-----------
V
E
A
A
A
Q
-
A
A
G
I
H
D
A
I
M
A
FPEGY
R
T
Q
V
G
E
R
G
L
K
L
S
G
G
E
K
Q
R
V
A
I
A
R
T
I
L
K
A
P
G
I
I
L
L
D
E
A
T
S
A
L
D
T
S
N
E
R
A
I
--
Q
A
S
L
A
K
V
-
C
A
-
N
--
R
T
T
I
V
V
A
H
R
L
S
T
V
V
N
-
A
D
Q
I
L
V
I
K
D
G
C
I
V
E
-------------------------
129
PsiBlast_CBE
44.56
31%
-1
- C1 -
-
5L22
2
?
B:
[344-545]
-------------------
G
K
-
T
P
V
L
R
N
I
N
M
R
I
L
P
G
E
F
V
A
I
I
G
P
S
G
S
G
K
S
S
L
V
R
T
I
--
L
G
I
W
L
P
V
H
G
T
V
E
I
-
D
G
A
D
---
L
K
Q
W
D
R
D
---
Y
F
G
---------
K
----
F
-
V
G
Y
L
P
Q
D
I
----
E
L
F
E
-
G
-
T
V
A
E
N
I
A
R
F
-
G
--
E
L
D
S
-----
E
K
-------------
I
I
E
A
A
K
-
L
S
G
A
H
D
V
I
I
K
LPDGY
D
T
Y
I
G
P
G
G
I
T
L
S
G
G
Q
R
Q
R
I
A
L
A
R
A
L
Y
G
N
P
R
I
V
I
L
D
E
P
D
S
N
L
D
E
Q
G
E
Q
A
L
--
Y
N
A
L
I
E
L
-
K
K
-
R
K-
V
T
T
I
I
V
S
H
R
I
R
L
L
N
L
V
-
D
K
I
A
I
M
Q
D
G
T
L
---------------------------
130
PsiBlast_CBE
42.72
31%
5
- C1 -
-
5L22
2
?
A:
[344-545]
-------------------
G
K
-
T
P
V
L
R
N
I
N
M
R
I
L
P
G
E
F
V
A
I
I
G
P
S
G
S
G
K
S
S
L
V
R
T
I
--
L
G
I
W
L
P
V
H
G
T
V
E
I
-
D
G
A
D
---
L
K
Q
W
D
R
D
---
Y
F
G
---------
K
----
F
-
V
G
Y
L
P
Q
D
I
----
E
L
F
E
-
G
-
T
V
A
E
N
I
A
R
F
-
G
--
E
L
D
S
-----
E
K
-------------
I
I
E
A
A
K
-
L
S
G
A
H
D
V
I
I
K
LPDGY
D
T
Y
I
G
P
G
G
I
T
L
S
G
G
Q
R
Q
R
I
A
L
A
R
A
L
Y
G
N
P
R
I
V
I
L
D
E
P
D
S
N
L
D
E
Q
G
E
Q
A
L
--
Y
N
A
L
I
E
L
-
K
K
-
R
K-
V
T
T
I
I
V
S
H
R
I
R
L
L
N
L
V
-
D
K
I
A
I
M
Q
D
G
T
L
---------------------------