@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 : B0VT70: (2017-12-12 )
MSNSTSTPNTGLSYKDAGVDIEAGDALVDRIKSVAKRTTRPEVMGGLGGFGALCKIPKGYEEPVLVSGTDGVGTKLRLALNLNRHDTIGQDLVAMCVNDLLVCGAEPLFFLDYYATGHLNVDVAANVVTGIGKGCELAGCALVGGETAEMPGMYEGEDYDLAGFAVGVVEQSKIIDGSKVKSGDVLIGVASSGAHSNGYSLLRKILDVKNVDLTQVIDGRPLADVAMEPTRIYVKPVLELCKQVDVHAMAHITGGGLPGNLPRVLPNGAQAVINEASWEWPELFKLLQREGNVERFEMYRTFNCGVGMVIAVDANDAEKAIEVLNAQGEKAWKIGHIQENAESVEGADEKIRVIFE
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....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MSNSTSTPNTGLSYKDAG
V
D
IEA
G
D
A
L
V
D
R
I
K
S
V
A
KRTT
R
P
E
V
M
GGLG
G
F
G
A
L
C---KIP-K---GY-EE
P
V
L
V
SGTDGV
G
T
K
L
R
L
A
L
NLNRHD
T
I
G
Q
D
L
V
A
M
C
V
N
D
L
L
V
CGAE
P
L
F
F
L
D
Y
YATG
H
L
N
V
D
V
A
A
N
V
V
T
GIGKGC
E
L
A
G
C
A
L
VGGETAEMPGMYEGEDYDLA
G
F
A
V
G
V
V
E
Q
S-KIIDGSKVKSG
D
V
L
I
G
V
ASSGAHSN
G
Y
S
L
L
R
K
I
-
L
DV---K-N-V
D
-
L
T
Q--V-I--D---G----R---PLADVAMEP
T
R
I
Y
V
K
P
V
L
E
L
C
K
Q-V-
D
V
H
A
M
A
H
ITGGGLPGNLPRVLPN
G
A
Q
A
V
I
N
EASW
E
W
P
E
L
F
K
L
L
Q
REG
N
V
E
R
F
E
M
Y
R
T
FNCGV
G
M
V
I
A
VDAN
D
A
E
K
A
I
E
V
L
NAQ-G
E
K
A
W
K
IGHIQE
N
A
E
SVEGAD
E
K
I
R
V
I
FE
45
HHSearch
90.52
65%
-123
- C2 -
-
3P4E
4
PUR5_VIBCH
A:
[21-340]
---------------------
D
A
G
N
A
L
V
E
R
I
K
G
A
V
K
R
T
R
R
P
E
V
M
G
------
A
L
C
---
E
L
P
-
T
---
K
Y
-
K
H
P
V
L
V
S
G
T
D
G
V
G
T
K
L
R
L
A
L
D
M
K
K
H
D
T
I
G
I
D
L
V
A
M
C
V
N
D
L
I
V
Q
G
A
E
P
L
F
F
L
D
Y
Y
A
T
G
K
L
D
V
D
T
A
A
E
V
I
S
G
I
A
D
G
C
L
Q
A
G
C
A
L
I
G
G
E
T
A
E
M
P
G
M
Y
E
G
E
D
Y
D
V
A
G
F
C
V
G
V
V
E
K
E
-
E
I
I
D
G
S
K
V
Q
V
G
D
A
L
I
A
V
G
S
S
G
P
H
S
N
G
Y
S
L
V
R
K
I
-
L
E
V
---
S
-
K
-
A
D
-
K
N
E
--
R
-
L
--
A
---
G
----
K
---
T
I
G
E
H
L
L
A
P
T
K
I
Y
I
K
S
G
L
K
L
I
A
E
-
H
-
D
I
H
A
I
S
H
I
T
G
G
G
F
W
E
N
I
P
R
V
L
P
E
G
T
K
A
V
I
D
G
K
S
W
E
W
P
V
I
F
Q
W
L
Q
E
K
G
N
V
T
T
H
E
M
Y
R
T
F
N
C
G
V
G
L
I
I
A
L
P
K
D
Q
A
N
A
A
V
A
L
L
Q
A
E
-
G
E
T
A
W
V
I
G
E
I
A
A
A
N
---------------
2
PsiBlast_PDB
89.54
65%
-125
- C2 -
-
3P4E
4
PUR5_VIBCH
A:
[21-336]
---------------------
D
A
G
N
A
L
V
E
R
I
K
G
A
V
K
R
T
R
R
P
E
V
M
G
------
A
L
C
---
E
L
P
-
T
---
K
Y
-
K
H
P
V
L
V
S
G
T
D
G
V
G
T
K
L
R
L
A
L
D
M
K
K
H
D
T
I
G
I
D
L
V
A
M
C
V
N
D
L
I
V
Q
G
A
E
P
L
F
F
L
D
Y
Y
A
T
G
K
L
D
V
D
T
A
A
E
V
I
S
G
I
A
D
G
C
L
Q
A
G
C
A
L
I
G
G
E
T
A
E
M
P
G
M
Y
E
G
E
D
Y
D
V
A
G
F
C
V
G
V
V
E
K
E
-
E
I
I
D
G
S
K
V
Q
V
G
D
A
L
I
A
V
G
S
S
G
P
H
S
N
G
Y
S
L
V
R
K
I
-
L
E
V
---
S
-
K
-
A
D
-
K
N
E
--
R
-
L
--
A
---
G
----
K
---
T
I
G
E
H
L
L
A
P
T
K
I
Y
I
K
S
G
L
K
L
I
A
E
-
H
-
D
I
H
A
I
S
H
I
T
G
G
G
F
W
E
N
I
P
R
V
L
P
E
G
T
K
A
V
I
D
G
K
S
W
E
W
P
V
I
F
Q
W
L
Q
E
K
G
N
V
T
T
H
E
M
Y
R
T
F
N
C
G
V
G
L
I
I
A
L
P
K
D
Q
A
N
A
A
V
A
L
L
Q
A
E
-
G
E
T
A
W
V
I
G
E
I
-------------------
48
HHSearch
88.55
70%
-68
- C2 -
-
1CLI
-
PUR5_ECOLI
C:
[5-337]
---------
T
S
L
S
Y
K
D
A
G
V
D
I
D
A
G
N
A
L
V
G
R
I
K
G
V
V
K
K
T
R
R
P
E
V
M
G
G
L
G
G
F
G
A
L
C
---
A
L
P
-
Q
---
K
Y
-
R
E
P
V
L
V
S
G
T
D
G
V
G
T
K
L
R
L
A
M
D
L
K
R
H
D
T
I
G
I
D
L
V
A
M
C
V
N
D
L
V
V
Q
G
A
E
P
L
F
F
L
D
Y
Y
A
T
G
K
L
D
V
D
T
A
S
A
V
I
S
G
I
A
E
G
C
L
Q
S
G
C
S
L
V
G
G
E
T
A
E
M
P
G
M
Y
H
G
E
D
Y
D
V
A
G
F
C
V
G
V
V
E
K
S
-
E
I
I
D
G
S
K
V
S
D
G
D
V
L
I
A
L
G
S
S
G
P
H
S
N
G
Y
S
L
V
R
K
I
-
L
E
V
---
S
-
G
-
C
D
-
P
Q
T
--
T
E
L
--
D
---
G
----
K
---
P
L
A
D
H
L
L
A
P
T
R
I
Y
V
K
S
V
L
E
L
I
E
K
-
V
-
D
V
H
A
I
A
H
L
T
G
G
G
F
W
E
N
I
P
R
V
L
P
D
N
T
Q
A
V
I
D
E
S
S
W
Q
W
P
E
V
F
N
W
L
Q
T
A
G
N
V
E
H
H
E
M
Y
R
T
F
N
C
G
V
G
M
I
I
A
L
P
A
P
E
V
D
K
A
L
A
L
L
N
A
N
-
G
E
N
A
W
K
I
G
I
I
K
A
S
D
---------------
1
PsiBlast_PDB
86.68
68%
-67
- C2 -
-
1CLI
-
PUR5_ECOLI
A:
[5-345]
---------
T
S
L
S
Y
K
D
A
G
V
D
I
D
A
G
N
A
L
V
G
R
I
K
G
V
V
K
K
T
R
R
P
E
V
M
G
G
L
G
G
F
G
A
L
C
---
A
L
P
-
Q
---
K
Y
-
R
E
P
V
L
V
S
G
T
D
G
V
G
T
K
L
R
L
A
M
D
L
K
R
H
D
T
I
G
I
D
L
V
A
M
C
V
N
D
L
V
V
Q
G
A
E
P
L
F
F
L
D
Y
Y
A
T
G
K
L
D
V
D
T
A
S
A
V
I
S
G
I
A
E
G
C
L
Q
S
G
C
S
L
V
G
G
E
T
A
E
M
P
G
M
Y
H
G
E
D
Y
D
V
A
G
F
C
V
G
V
V
E
K
S
-
E
I
I
D
G
S
K
V
S
D
G
D
V
L
I
A
L
G
S
S
G
P
H
S
N
G
Y
S
L
V
R
K
I
-
L
E
V
---
S
-
G
-
C
D
P
Q
T
T
--
E
-
L
--
D
---
G
----
K
---
P
L
A
D
H
L
L
A
P
T
R
I
Y
V
K
S
V
L
E
L
I
E
K
-
V
-
D
V
H
A
I
A
H
L
T
G
G
G
F
W
E
N
I
P
R
V
L
P
D
N
T
Q
A
V
I
D
E
S
S
W
Q
W
P
E
V
F
N
W
L
Q
T
A
G
N
V
E
H
H
E
M
Y
R
T
F
N
C
G
V
G
M
I
I
A
L
P
A
P
E
V
D
K
A
L
A
L
L
N
A
N
-
G
E
N
A
W
K
I
G
I
I
K
-------
A
S
D
S
E
Q
R
V
V
I
E
24
PsiBlast_CBE
84.06
59%
-77
- C2 -
-
5VK4
2
?
B:
[23-342]
---------------------
D
A
G
D
Q
L
V
E
K
I
K
P
F
A
K
R
T
M
R
P
E
V
L
G
D
L
G
G
F
G
A
L
V
---
E
I
G
-
K
---
K
Y
-
Q
N
P
V
L
V
S
G
T
D
G
V
G
T
K
L
K
L
A
F
D
W
D
K
H
D
T
V
G
I
D
L
V
A
M
S
V
N
D
I
L
V
Q
G
A
E
P
L
F
F
L
D
Y
F
A
C
G
K
L
D
V
P
R
A
T
D
V
I
K
G
I
A
Q
G
C
E
E
S
G
C
A
L
I
G
G
E
T
A
E
M
P
G
M
Y
P
V
G
E
Y
D
L
A
G
F
A
V
G
V
V
E
K
E
-
N
V
I
T
G
L
S
V
G
A
G
D
M
V
L
G
L
A
S
N
G
A
H
S
N
G
Y
S
L
I
R
K
I
-
I
E
R
---
D
-
N
-
P
D
-
L
D
A
--
E
-
F
--
D
N--
G
----
K
---
T
L
R
E
A
V
I
A
P
T
R
L
Y
V
K
P
I
L
A
A
L
E
K
-
F
-
T
I
K
G
M
A
H
I
T
G
G
G
I
T
E
N
V
P
R
V
L
P
K
N
T
V
A
Q
I
D
A
E
S
W
E
L
P
K
L
F
Q
W
L
Q
K
A
G
N
V
E
T
Q
E
M
Y
R
T
F
N
C
G
I
G
M
V
V
I
V
A
A
E
D
A
D
A
V
R
S
F
L
S
G
Q
-
G
E
T
V
Y
R
L
G
C
I
R
E
R
----------------
46
HHSearch
83.85
59%
-73
- C2 -
-
5VK4
2
?
B:
[23-345]
---------------------
D
A
G
D
Q
L
V
E
K
I
K
P
F
A
K
R
T
M
R
P
E
V
L
G
D
L
G
G
F
G
A
L
V
---
E
I
G
-
K
---
K
Y
-
Q
N
P
V
L
V
S
G
T
D
G
V
G
T
K
L
K
L
A
F
D
W
D
K
H
D
T
V
G
I
D
L
V
A
M
S
V
N
D
I
L
V
Q
G
A
E
P
L
F
F
L
D
Y
F
A
C
G
K
L
D
V
P
R
A
T
D
V
I
K
G
I
A
Q
G
C
E
E
S
G
C
A
L
I
G
G
E
T
A
E
M
P
G
M
Y
P
V
G
E
Y
D
L
A
G
F
A
V
G
V
V
E
K
E
-
N
V
I
T
G
L
S
V
G
A
G
D
M
V
L
G
L
A
S
N
G
A
H
S
N
G
Y
S
L
I
R
K
I
-
I
E
R
---
D
-
N
-
P
D
-
L
D
A
E-
F
-
D
--
N
---
G
----
K
---
T
L
R
E
A
V
I
A
P
T
R
L
Y
V
K
P
I
L
A
A
L
E
K
-
F
-
T
I
K
G
M
A
H
I
T
G
G
G
I
T
E
N
V
P
R
V
L
P
K
N
T
V
A
Q
I
D
A
E
S
W
E
L
P
K
L
F
Q
W
L
Q
K
A
G
N
V
E
T
Q
E
M
Y
R
T
F
N
C
G
I
G
M
V
V
I
V
A
A
E
D
A
D
A
V
R
S
F
L
S
G
Q
-
G
E
T
V
Y
R
L
G
C
I
R
E
R
Q
G
N
-------------
3
PsiBlast_PDB
81.90
59%
-76
- C2 -
-
5VK4
2
?
A:
[23-342]
---------------------
D
A
G
D
Q
L
V
E
K
I
K
P
F
A
K
R
T
M
R
P
E
V
L
G
------
A
L
V
---
E
I
G
-
K
---
K
Y
-
Q
N
P
V
L
V
S
G
T
D
G
V
G
T
K
L
K
L
A
F
D
W
D
K
H
D
T
V
G
I
D
L
V
A
M
S
V
N
D
I
L
V
Q
G
A
E
P
L
F
F
L
D
Y
F
A
C
G
K
L
D
V
P
R
A
T
D
V
I
K
G
I
A
Q
G
C
E
E
S
G
C
A
L
I
G
G
E
T
A
E
M
P
G
M
Y
P
V
G
E
Y
D
L
A
G
F
A
V
G
V
V
E
K
E
-
N
V
I
T
G
L
S
V
G
A
G
D
M
V
L
G
L
A
S
N
G
A
H
S
N
G
Y
S
L
I
R
K
I
-
I
E
R
---
D
-
N
-
P
D
-
L
D
A
--
E
-
F
--
D
N--
G
----
K
---
T
L
R
E
A
V
I
A
P
T
R
L
Y
V
K
P
I
L
A
A
L
E
K
-
F
-
T
I
K
G
M
A
H
I
T
G
G
G
I
T
E
N
V
P
R
V
L
P
K
N
T
V
A
Q
I
D
A
E
S
W
E
L
P
K
L
F
Q
W
L
Q
K
A
G
N
V
E
T
Q
E
M
Y
R
T
F
N
C
G
I
G
M
V
V
I
V
A
A
E
D
A
D
A
V
R
S
F
L
S
G
Q
-
G
E
T
V
Y
R
L
G
C
I
R
E
R
----------------
51
HHSearch
71.97
50%
-32
- C2 -
-
2Z01
-
PUR5_GEOKA
A:
[17-337]
-------------------------
Q
A
V
A
L
M
K
E
H
V
Q
K
T
M
R
P
E
V
L
G
-----
G
G
L
F
---
D
L
S
-
A
---
L
G
Y
R
Q
P
V
L
I
S
G
T
D
G
V
G
T
K
L
K
L
A
F
L
L
D
R
H
D
T
I
G
I
D
C
V
A
M
C
V
N
D
I
I
V
Q
G
A
E
P
L
F
F
L
D
Y
I
A
C
G
K
A
V
P
E
K
I
A
A
I
V
K
G
V
A
D
G
C
V
E
A
G
C
A
L
I
G
G
E
T
A
E
--------
E
Y
D
L
A
G
F
A
V
G
V
A
E
K
E
-
R
L
I
T
G
E
T
I
Q
A
G
D
A
L
V
G
L
P
S
S
G
L
H
S
N
G
Y
S
L
V
R
R
I
-
V
F
E
---
Q
A
K
-
L
S
-
L
D
E
IY
E
-
P
--
L
---
D
----
V
---
P
L
G
E
E
L
L
K
P
T
R
I
Y
A
K
L
L
R
S
V
R
E
R
-
F
-
T
I
K
G
M
A
H
I
T
G
G
G
L
I
E
N
I
P
R
M
L
P
P
G
I
G
A
R
I
Q
L
G
S
W
P
I
L
P
I
F
D
F
L
R
E
K
G
S
L
E
E
E
E
M
F
S
V
F
N
M
G
I
G
L
V
L
A
V
S
P
E
T
A
A
P
L
V
E
W
L
S
E
R
-
G
E
P
A
Y
I
I
G
E
V
A
K
G
A
G
--------------
4
PsiBlast_PDB
71.41
55%
-18
- C2 -
-
2BTU
-
PUR5_BACAN
A:
[13-336]
---------------------
E
A
G
Y
E
A
V
S
R
M
K
K
H
V
Q
T
T
M
R
K
E
V
L
G
---
G
F
G
G
M
F
---
D
L
S
-
K
F--
A
L
-
E
E
P
V
L
V
S
G
T
D
G
V
G
T
K
L
M
L
A
F
M
A
D
K
H
D
T
I
G
I
D
A
V
A
M
C
V
N
D
I
V
V
Q
G
A
E
P
L
F
F
L
D
Y
I
A
C
G
K
A
E
P
S
K
I
E
N
I
V
K
G
I
S
E
G
C
R
Q
A
G
C
A
L
I
G
G
E
T
A
E
M
P
G
M
Y
S
T
E
E
Y
D
L
A
G
F
T
V
G
I
V
D
K
K
-
K
I
V
T
G
E
K
I
E
A
G
H
V
L
I
G
L
A
S
S
G
I
H
S
N
G
Y
S
L
V
R
K
V
-
L
-
L
---
E
-
D
-
G
E
-
L
------
I
--
Y
---
G
----
R
LEL
P
L
G
E
E
L
L
K
P
T
K
I
Y
V
K
P
I
L
E
L
L
K
N
-
H
-
E
V
Y
G
M
A
H
I
T
G
G
G
F
I
E
N
I
P
R
M
L
P
E
G
I
G
A
E
I
E
L
G
S
W
K
I
Q
P
I
F
S
L
L
Q
E
V
G
K
L
E
E
K
E
M
F
N
I
F
N
M
G
I
G
M
V
V
A
V
K
E
E
D
A
K
D
I
V
R
L
L
E
E
Q
-
G
E
T
A
R
I
I
G
R
T
V
Q
G
A
---------------
5
PsiBlast_PDB
71.22
50%
-31
- C2 -
-
2Z01
-
PUR5_GEOKA
A:
[17-336]
-------------------------
Q
A
V
A
L
M
K
E
H
V
Q
K
T
M
R
P
E
V
L
G
-----
G
G
L
F
---
D
L
S
-
A
L--
G
Y
-
R
Q
P
V
L
I
S
G
T
D
G
V
G
T
K
L
K
L
A
F
L
L
D
R
H
D
T
I
G
I
D
C
V
A
M
C
V
N
D
I
I
V
Q
G
A
E
P
L
F
F
L
D
Y
I
A
C
G
K
A
V
P
E
K
I
A
A
I
V
K
G
V
A
D
G
C
V
E
A
G
C
A
L
I
G
G
E
T
A
E
--------
E
Y
D
L
A
G
F
A
V
G
V
A
E
K
E
-
R
L
I
T
G
E
T
I
Q
A
G
D
A
L
V
G
L
P
S
S
G
L
H
S
N
G
Y
S
L
V
R
R
I
V
F
E
Q
---
A
-
K
-
L
S
-
L
D
E
--
I
-
Y
--
E
---
P
----
L
DV-
P
L
G
E
E
L
L
K
P
T
R
I
Y
A
K
L
L
R
S
V
R
E
R
-
F
-
T
I
K
G
M
A
H
I
T
G
G
G
L
I
E
N
I
P
R
M
L
P
P
G
I
G
A
R
I
Q
L
G
S
W
P
I
L
P
I
F
D
F
L
R
E
K
G
S
L
E
E
E
E
M
F
S
V
F
N
M
G
I
G
L
V
L
A
V
S
P
E
T
A
A
P
L
V
E
W
L
S
E
R
-
G
E
P
A
Y
I
I
G
E
V
A
K
G
A
---------------
47
HHSearch
70.50
55%
-16
* C2 *
-
2BTU
-
PUR5_BACAN
A:
[13-340]
---------------------
E
A
G
Y
E
A
V
S
R
M
K
K
H
V
Q
T
T
M
R
K
E
V
L
G
---
G
F
G
G
M
F
---
D
L
S
-
K
F--
A
L
-
E
E
P
V
L
V
S
G
T
D
G
V
G
T
K
L
M
L
A
F
M
A
D
K
H
D
T
I
G
I
D
A
V
A
M
C
V
N
D
I
V
V
Q
G
A
E
P
L
F
F
L
D
Y
I
A
C
G
K
A
E
P
S
K
I
E
N
I
V
K
G
I
S
E
G
C
R
Q
A
G
C
A
L
I
G
G
E
T
A
E
M
P
G
M
Y
S
T
E
E
Y
D
L
A
G
F
T
V
G
I
V
D
K
K
-
K
I
V
T
G
E
K
I
E
A
G
H
V
L
I
G
L
A
S
S
G
I
H
S
N
G
Y
S
L
V
R
K
V
-
L
L
E
---
D
-
G
E
L
-------
I
-
Y
--
G
RL-
E
----
L
---
P
L
G
E
E
L
L
K
P
T
K
I
Y
V
K
P
I
L
E
L
L
K
N
-
H
-
E
V
Y
G
M
A
H
I
T
G
G
G
F
I
E
N
I
P
R
M
L
P
E
G
I
G
A
E
I
E
L
G
S
W
K
I
Q
P
I
F
S
L
L
Q
E
V
G
K
L
E
E
K
E
M
F
N
I
F
N
M
G
I
G
M
V
V
A
V
K
E
E
D
A
K
D
I
V
R
L
L
E
E
Q
-
G
E
T
A
R
I
I
G
R
T
V
Q
G
A
G
V
T
F
-----------
52
HHSearch
67.31
41%
-11
- C2 -
-
3M84
2
?
B:
[4-346]
--------
M
A
G
L
K
Y
E
D
A
G
V
N
I
E
A
G
N
Q
A
V
E
R
M
K
Q
H
V
K
K
T
F
T
Q
D
V
L
T
G
L
G
S
F
G
S
L
Y
---
S
L
K
-
N
IIN
N
Y
-
D
D
P
V
L
V
Q
S
I
D
G
V
G
T
K
T
K
V
A
V
M
C
G
K
F
E
N
L
G
Y
D
L
F
S
A
A
T
N
D
I
V
V
M
G
A
K
P
I
T
F
L
D
Y
V
A
H
D
K
L
D
P
A
I
M
E
E
L
V
K
G
M
S
K
A
C
A
E
C
G
V
S
L
V
G
G
E
T
A
E
M
P
G
V
Y
Q
A
G
E
I
D
M
V
G
V
I
T
G
I
V
D
R
K
-
R
I
I
N
G
E
N
I
K
E
G
D
I
V
F
G
L
S
S
S
G
L
H
T
N
G
Y
S
F
A
R
K
L
-
F
F
D
---
V
-
A
G
N
K
-
H
T
D
--
T
-
Y
--
P
ELE
G
----
K
---
T
I
G
D
V
L
L
E
P
H
I
N
Y
T
N
I
I
H
D
F
L
D
N
-
G
V
D
I
K
G
M
A
H
I
T
G
G
G
F
I
E
N
I
P
R
V
L
P
Q
G
L
G
A
Q
I
D
K
D
S
F
A
T
P
A
I
F
K
L
M
Q
R
I
G
D
I
S
E
F
E
M
Y
R
S
F
N
M
G
I
G
M
T
I
I
A
S
Q
D
Q
F
D
K
M
Q
E
L
A
K
K
H
T
N
T
K
L
Y
Q
I
G
K
I
T
N
S
G
K
--------------
7
PsiBlast_PDB
67.26
40%
-7
- C2 -
-
3QTY
3
?
A:
[3-348]
-------
A
M
A
G
L
K
Y
E
D
A
G
V
N
I
E
A
G
N
Q
A
V
E
R
M
K
Q
H
V
K
K
T
F
T
Q
D
V
L
T
G
L
G
S
F
G
S
L
Y
S
L
K
N
I
I
-
N
---
N
Y
-
D
D
P
V
L
V
Q
S
I
D
G
V
G
T
K
T
K
V
A
V
M
C
G
K
F
E
N
L
G
Y
D
L
F
S
A
A
T
N
D
I
V
V
M
G
A
K
P
I
T
F
L
D
Y
V
A
H
D
K
L
D
P
A
I
M
E
E
L
V
K
G
M
S
K
A
C
A
E
C
G
V
S
L
V
G
G
E
T
A
E
M
P
G
V
Y
Q
A
G
E
I
D
M
V
G
V
I
T
G
I
V
D
R
K
-
R
I
I
N
G
E
N
I
K
E
G
D
I
V
F
G
L
S
S
S
G
L
H
T
N
G
Y
S
F
A
R
K
L
F
F
D
V
AGN
K
-
H
-
T
D
-
T
Y
P
--
E
-
L
--
E
---
G
----
K
---
T
I
G
D
V
L
L
E
P
H
I
N
Y
T
N
I
I
H
D
F
L
D
N
G
V
-
D
I
K
G
M
A
H
I
T
G
G
G
F
I
E
N
I
P
R
V
L
P
Q
G
L
G
A
Q
I
D
K
D
S
F
A
T
P
A
I
F
K
L
M
Q
R
I
G
D
I
S
E
F
E
M
Y
R
S
F
N
M
G
I
G
M
T
I
I
A
S
Q
D
Q
F
D
K
M
Q
E
L
A
K
K
H
T
N
T
K
L
Y
Q
I
G
K
I
T
-
N
S
G
K
V
E
-----------
6
PsiBlast_PDB
66.90
40%
-7
- C2 -
-
3M84
5
?
A:
[3-348]
-------
A
M
A
G
L
K
Y
E
D
A
G
V
N
I
E
A
G
N
Q
A
V
E
R
M
K
Q
H
V
K
K
T
F
T
Q
D
V
L
T
G
L
G
S
F
G
S
L
Y
S
L
K
N
I
I
-
N
---
N
Y
-
D
D
P
V
L
V
Q
S
I
D
G
V
G
T
K
T
K
V
A
V
M
C
G
K
F
E
N
L
G
Y
D
L
F
S
A
A
T
N
D
I
V
V
M
G
A
K
P
I
T
F
L
D
Y
V
A
H
D
K
L
D
P
A
I
M
E
E
L
V
K
G
M
S
K
A
C
A
E
C
G
V
S
L
V
G
G
E
T
A
E
M
P
G
V
Y
Q
A
G
E
I
D
M
V
G
V
I
T
G
I
V
D
R
K
-
R
I
I
N
G
E
N
I
K
E
G
D
I
V
F
G
L
S
S
S
G
L
H
T
N
G
Y
S
F
A
R
K
L
F
F
D
V
AGN
K
-
H
-
T
D
-
T
Y
P
--
E
-
L
--
E
---
G
----
K
---
T
I
G
D
V
L
L
E
P
H
I
N
Y
T
N
I
I
H
D
F
L
D
N
G
V
-
D
I
K
G
M
A
H
I
T
G
G
G
F
I
E
N
I
P
R
V
L
P
Q
G
L
G
A
Q
I
D
K
D
S
F
A
T
P
A
I
F
K
L
M
Q
R
I
G
D
I
S
E
F
E
M
Y
R
S
F
N
M
G
I
G
M
T
I
I
A
S
Q
D
Q
F
D
K
M
Q
E
L
A
K
K
H
T
N
T
K
L
Y
Q
I
G
K
I
T
-
N
S
G
K
V
E
-----------
49
HHSearch
64.16
44%
-52
- C2 -
-
5AVM
-
?
C:
[53-329]
---------------------------------------------------------------------
E
P
V
L
V
A
T
T
D
G
V
G
T
K
T
L
L
A
L
E
A
G
D
V
S
G
L
G
F
D
L
V
N
H
S
V
N
D
L
L
A
Q
G
A
E
P
L
F
F
L
D
Y
L
A
A
S
H
L
D
E
G
V
L
A
A
L
L
A
S
L
A
E
A
C
R
A
H
G
I
P
L
L
G
G
E
T
A
E
M
P
G
V
Y
R
E
G
A
W
D
I
A
G
T
L
V
G
V
V
E
R
S
-
R
I
L
G
P
E
R
V
R
E
G
D
A
L
L
A
L
P
S
S
G
P
H
T
N
G
Y
S
L
I
R
K
V
-
V
A
G
---
Q
-
D
----
L
S
A
--
P
-
V
PE
L
---
G
----
E
---
S
L
K
E
A
L
L
R
P
H
R
A
Y
L
K
E
F
R
L
L
W
E
A
-
G
V
E
L
H
A
A
A
H
I
T
G
G
G
L
P
E
N
L
P
R
A
L
P
P
G
L
G
A
E
V
R
R
G
S
W
P
I
P
P
V
F
P
Y
L
Q
R
L
G
G
I
P
E
E
E
M
Y
R
V
F
N
M
G
L
G
M
V
L
V
L
P
Q
E
A
A
E
E
A
L
K
L
------
V
E
G
F
L
V
G
R
V
V
P
G
E
G
--------------
56
HHSearch
64.09
49%
-1
- C2 -
-
2V9Y
-
PUR2_HUMAN
A:
[15-320]
---------------------------------------------------
G
L
F
---
D
L
K
A
A
---
G
F
-
K
D
P
L
L
A
S
G
T
D
G
V
G
T
K
L
K
I
A
Q
L
C
N
K
H
D
T
I
G
Q
D
L
V
A
M
C
V
N
D
I
L
A
Q
G
A
E
P
L
F
F
L
D
Y
F
S
C
G
K
L
D
L
S
V
T
E
A
V
V
A
G
I
A
K
A
C
G
K
A
G
C
A
L
L
G
G
E
T
A
E
M
P
D
M
Y
P
P
G
E
Y
D
L
A
G
F
A
V
G
A
M
E
R
D
Q
K
L
P
H
L
E
R
I
T
E
G
D
V
V
V
G
I
A
S
S
G
L
H
S
N
G
F
S
L
V
R
K
I
-
V
A
K
---
S
-
S
-
L
Q
-
Y
S
S
--
P
-
A
--
P
---
D
GCGD
Q
---
T
L
G
D
L
L
L
T
P
T
R
I
Y
S
H
S
L
L
P
V
L
R
S
-
G
-
H
V
K
A
F
A
H
I
T
G
G
G
L
L
E
N
I
P
R
V
L
P
E
K
L
G
V
D
L
D
A
Q
T
W
R
I
P
R
V
F
S
W
L
Q
Q
E
G
H
L
S
E
E
E
M
A
R
T
F
N
C
G
V
G
A
V
L
V
V
S
K
E
Q
T
E
Q
I
L
R
G
I
Q
Q
H
-
K
E
E
A
W
V
I
G
S
V
V
A
R
-
P
R
V
K
V
K
N
--------
50
HHSearch
63.79
44%
-53
- C2 -
-
5AVM
-
?
D:
[51-329]
------------------------------------------------------------------
L
-
E
E
P
V
L
V
A
T
T
D
G
V
G
T
K
T
L
L
A
L
E
A
G
D
V
S
G
L
G
F
D
L
V
N
H
S
V
N
D
L
L
A
Q
G
A
E
P
L
F
F
L
D
Y
L
A
A
S
H
L
D
E
G
V
L
A
A
L
L
A
S
L
A
E
A
C
R
A
H
G
I
P
L
L
G
G
E
T
A
E
M
P
G
V
Y
R
E
G
A
W
D
I
A
G
T
L
V
G
V
V
E
R
S
-
R
I
L
G
P
E
R
V
R
E
G
D
A
L
L
A
L
P
S
S
G
P
H
T
N
G
Y
S
L
I
R
K
V
-
V
A
G
---
Q
-
D
----
L
S
A
--
P
-
V
PE
L
---
G
----
E
---
S
L
K
E
A
L
L
R
P
H
R
A
Y
L
K
E
F
R
L
L
W
E
A
-
G
V
E
L
H
A
A
A
H
I
T
G
G
G
L
P
E
N
L
P
R
A
L
P
P
G
L
G
A
E
V
R
R
G
S
W
P
I
P
P
V
F
P
Y
L
Q
R
L
G
G
I
P
E
E
E
M
Y
R
V
F
N
M
G
L
G
M
V
L
V
L
P
Q
E
A
A
E
E
A
L
K
L
------
V
E
G
F
L
V
G
R
V
V
P
G
E
G
--------------
55
HHSearch
63.30
49%
1
- C2 -
-
2V9Y
-
B:
[15-320]
---------------------------------------------------
G
L
F
---
D
L
K
A
A
---
G
F
-
K
D
P
L
L
A
S
G
T
D
G
V
G
T
K
L
K
I
A
Q
L
C
N
K
H
D
T
I
G
Q
D
L
V
A
M
C
V
N
D
I
L
A
Q
G
A
E
P
L
F
F
L
D
Y
F
S
C
G
K
L
D
L
S
V
T
E
A
V
V
A
G
I
A
K
A
C
G
K
A
G
C
A
L
L
G
G
E
T
A
E
M
P
D
M
Y
P
P
G
E
Y
D
L
A
G
F
A
V
G
A
M
E
R
D
Q
K
L
P
H
L
E
R
I
T
E
G
D
V
V
V
G
I
A
S
S
G
L
H
S
N
G
F
S
L
V
R
K
I
-
V
A
K
---
S
-
S
-
L
Q
-
Y
S
S
--
P
-
A
--
P
---
D
GCGD
Q
---
T
L
G
D
L
L
L
T
P
T
R
I
Y
S
H
S
L
L
P
V
L
R
S
-
G
-
H
V
K
A
F
A
H
I
T
G
G
G
L
L
E
N
I
P
R
V
L
P
E
K
L
G
V
D
L
D
A
Q
T
W
R
I
P
R
V
F
S
W
L
Q
Q
E
G
H
L
S
E
E
E
M
A
R
T
F
N
C
G
V
G
A
V
L
V
V
S
K
E
Q
T
E
Q
I
L
R
G
I
Q
Q
H
-
K
E
E
A
W
V
I
G
S
V
V
A
R
-
P
R
V
K
V
K
N
--------
8
PsiBlast_PDB
62.97
45%
-76
- C2 -
-
5AVM
-
?
A:
[53-317]
---------------------------------------------------------------------
E
P
V
L
V
A
T
T
D
G
V
G
T
K
T
L
L
A
L
E
A
G
D
V
S
G
L
G
F
D
L
V
N
H
S
V
N
D
L
L
A
Q
G
A
E
P
L
F
F
L
D
Y
L
A
A
S
H
L
D
E
G
V
L
A
A
L
L
A
S
L
A
E
A
C
R
A
H
G
I
P
L
L
G
G
E
T
A
E
M
P
G
V
Y
R
E
G
A
W
D
I
A
G
T
L
V
G
V
V
E
R
S
-
R
I
L
G
P
E
R
V
R
E
G
D
A
L
L
A
L
P
S
S
G
P
H
T
N
G
Y
S
L
I
R
K
V
-
V
A
G
---
Q
-
D
-
L
S
-
A
P
V
--
P
-
E
--
L
---
G
----
E
---
S
L
K
E
A
L
L
R
P
H
R
A
Y
L
K
E
F
R
L
L
W
E
A
G
V
-
E
L
H
A
A
A
H
I
T
G
G
G
L
P
E
N
L
P
R
A
L
P
P
G
L
G
A
E
V
R
R
G
S
W
P
I
P
P
V
F
P
Y
L
Q
R
L
G
G
I
P
E
E
E
M
Y
R
V
F
N
M
G
L
G
M
V
L
V
L
P
Q
E
A
A
E
E
A
L
K
L
V
E
--------------------------------
37
Fugue
54.80
60%
-45
- C2 -
-
1CLI
-
PUR5_ECOLI
A:
[171-345]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
G
S
K
V
S
D
G
D
V
L
I
A
L
G
S
S
G
P
H
S
N
G
Y
S
L
V
R
K
I
-
L
E
V
---
S
-
G
-
C
D
-
P
Q
T
T-
E
-
L
--
D
---
G
----
K
---
P
L
A
D
H
L
L
A
P
T
R
I
Y
V
K
S
V
L
E
L
I
E
K
-
V
-
D
V
H
A
I
A
H
L
T
G
G
G
F
W
E
N
I
P
R
V
L
P
D
N
T
Q
A
V
I
D
E
S
S
W
Q
W
P
E
V
F
N
W
L
Q
T
A
G
N
V
E
H
H
E
M
Y
R
T
F
N
C
G
V
G
M
I
I
A
L
P
A
P
E
V
D
K
A
L
A
L
L
N
A
N
-
G
E
N
A
W
K
I
G
I
I
K
A
S
D
S
E
Q
R
V
V
I
E
-------