@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 : Q3XX91: (2018-01-02 )
MKRKHLFHSFVFLMTGLVTLAFGHVAQADNTTTAESSTSETMQKIEPKKDVYVIASDSAFAPFEFQNAKGEYEGIDVKLMENIAKLQGFNIRMDYRGFSAALQALESGQADGMIAGMTVTDERKKSYDFSDSYFDSGIQLAVKKGDTSIKSYEDLKGKTVGAKVGTESAEFLSDHESEYGYSIKYFDAADQLYDGLKVGAIDAMMDDYPVIGYAIKQGQELETPIKKESGGKYAFAVKKGQNPELLNMFNEGLKELKRTGEYDKIIKEYVADGSETSSESSTADESTFLGLIQNNYQALLKGLWRTILLTLISFALAIVIGVIFGLFSVAPIRALRTIASIYVDIIRGIPMMVLAFFIFFGLPGIVGFTIPDFLAGVITLTLNASAYIAEIVRGGINAVPVGQMEASRSLGLSYNRTMQKIILPQAIRIMIPSFVNQFVISLKDTTIISAIGVVELLQTGKIIVARTTQSTYVYLIIAIMYLILITALTKLAKVLEKKVK
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.......460.......470.......------480.......-----490.......500----------------
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
K
R
K
H
L
F
H
S
F
V
F
L
M
T
G
L
V
T
L
A
F
G
HVAQADNTTTAES
S
T
S
E
T
M
Q
KIEPKK
D
V
Y
V
I
ASDSAFAP
F
E
FQNAK---GE-YEG
I
D
V
K
L
M
E
N
I
A
K
LQG
F
N
I
R
M
D-YR
G
F
S
A
A
L
Q
A
L
E
SGQAD
G
M
I
A
G
M
T
V
T
D
E
R
KKSYDF
S
D
S
Y
FDSG
I
Q
L
A
V
KK-GDTSIK
S
Y
--
E
DLKG
K
T
V
G
A
KVGT
E
S
A
E
F
L
S
DHESEYG
Y
S
I
K
Y
FD
A
A
D
Q
L
YDGLKVG
A
I
D
A
M
MDDYP-V
I
G
Y
-
A
IKQGQ----ELETP--IK------K-----E--S--GG
K
Y
A
F
A
VKKGQN
P
E
L
L
N
M
F
N
E
G
L
K
E
L
K
RTG
E
Y
D
K
I
I
K
E
Y
VAD-GSE--------TSSESSTAD
E
S
T
F
L
G
L
I
Q
N
N
Y
Q
A
L
L
K
G
L
W
R
T
I
L
L
T
L
I
S
F
A
L
A
I
V
I
G
V
I
F
G
L
F
S
V
A
P
I
R
A
L
R
T
I
A
S
I
Y
V
D
I
IRG
I
P
M
M
V
L
A
F
F
I
F
FGLPGIVGF
T
I
P
D
F
L
A
G
V
I
T
L
T
LN
A
S
A
Y
I
A
E
I
V
R-GGINAVPVG
Q
M
E
A
S
R
SLGLS
Y
N
R
-
T
M
Q
K
I
I
L
P
Q
A
I
R
I
M
I
P
S
F
V
N
Q
F
V
I
SLKDT
T
I
I
S
A
I
G
V
V
E
L
L
QTG
K
I
I
V
A
RTTQST
Y
V
Y
L
I
I
A
I
------
M
Y
L
I
L
I
T
A
L
T
-----
K
L
A
K
V
L
E
K
KVK------------------
1
PsiBlast_PDB
86.23
67%
-62
- C4 -
-
4ZEF
1
?
A:
[18-251]
---------------------------------------
Q
G
M
K
K
I
T
P
K
K
E
K
Y
V
I
A
S
D
S
T
F
A
P
F
E
F
Q
N
A
Q
---
G
D
-
Y
V
G
I
D
V
D
L
V
K
R
A
A
E
L
Q
G
F
T
V
E
F
K
-
F
I
G
F
S
S
A
V
Q
A
V
E
S
G
Q
A
D
G
M
V
A
G
M
T
I
T
D
D
R
K
K
A
F
D
F
S
V
P
Y
F
D
S
G
I
Q
I
A
V
K
K
-
G
N
D
K
I
K
S
Y
--
D
D
L
K
G
K
K
V
G
V
K
I
G
T
E
S
A
D
F
L
E
K
N
K
K
K
Y
D
Y
S
I
K
Y
L
D
T
T
D
A
L
Y
S
A
L
E
I
G
E
V
D
A
M
M
D
D
Y
P
-
V
I
G
Y
-
G
V
A
Q
N
Q
----
P
L
A
T
P
--
I
P
------
R
-----
E
--
K
--
G
G
S
Y
G
F
A
V
K
K
G
Q
N
P
E
L
L
E
M
F
N
E
G
L
K
E
M
K
R
T
G
E
Y
D
K
I
I
G
T
Y
V
K
D
-
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
109
HHSearch
85.47
68%
-62
- C4 -
-
4ZEF
1
?
A:
[18-250]
---------------------------------------
Q
G
M
K
K
I
T
P
K
K
E
K
Y
V
I
A
S
D
S
T
F
A
P
F
E
F
Q
N
A
Q
---
G
D
-
Y
V
G
I
D
V
D
L
V
K
R
A
A
E
L
Q
G
F
T
V
E
F
K
-
F
I
G
F
S
S
A
V
Q
A
V
E
S
G
Q
A
D
G
M
V
A
G
M
T
I
T
D
D
R
K
K
A
F
D
F
S
V
P
Y
F
D
S
G
I
Q
I
A
V
K
K
-
G
N
D
K
I
K
S
Y
--
D
D
L
K
G
K
K
V
G
V
K
I
G
T
E
S
A
D
F
L
E
K
N
K
K
K
Y
D
Y
S
I
K
Y
L
D
T
T
D
A
L
Y
S
A
L
E
I
G
E
V
D
A
M
M
D
D
Y
P
-
V
I
G
Y
-
G
V
A
Q
N
Q
----
P
L
A
T
P
--
I
P
------
R
-----
E
--
K
--
G
G
S
Y
G
F
A
V
K
K
G
Q
N
P
E
L
L
E
M
F
N
E
G
L
K
E
M
K
R
T
G
E
Y
D
K
I
I
G
T
Y
V
K
D
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
112
HHSearch
79.36
60%
-62
- C4 -
-
4G4P
2
?
A:
[20-244]
----------------------------------------------
M
E
G
K
K
Y
T
I
G
T
D
L
T
F
A
P
F
E
F
Q
D
S
K
---
G
K
-
Y
I
G
I
D
V
D
L
L
D
A
I
A
K
D
Q
D
F
E
V
D
L
K
-
P
L
G
F
D
S
A
V
Q
A
I
Q
S
K
Q
I
D
G
M
I
A
G
M
S
I
T
D
E
R
K
K
S
F
D
F
S
D
P
Y
F
D
S
G
L
Q
L
A
V
K
K
-
G
N
D
K
I
K
S
Y
--
D
D
L
K
G
K
T
V
A
A
K
V
G
T
E
S
A
N
F
L
E
K
N
K
E
K
Y
D
Y
T
I
K
N
F
D
D
A
T
G
L
Y
K
A
L
E
N
G
E
A
D
A
I
V
D
D
Y
P
-
V
L
G
Y
-
A
V
K
N
G
Q
----
K
L
Q
L
V
--
G
D
------
K
-----
E
--
T
--
G
S
S
Y
G
F
A
V
K
K
G
Q
N
P
E
L
I
K
K
F
N
A
G
L
K
N
L
K
D
N
G
T
Y
D
K
I
L
N
N
Y
L
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
78.02
54%
-65
- C4 -
-
4KQP
1
?
A:
[5-228]
----------------------------------------------
P
K
K
D
V
Y
T
I
A
S
D
N
S
F
A
P
F
E
F
Q
N
D
D
---
K
Q
-
F
T
G
I
D
V
D
L
L
N
A
I
A
K
N
Q
G
F
K
L
K
W
N
-
F
I
G
F
Q
A
A
V
D
S
V
Q
S
G
H
A
D
G
M
M
S
G
M
S
I
T
D
A
R
K
Q
V
F
D
Y
G
S
P
Y
Y
S
S
N
L
T
I
A
T
S
S
-
T
D
D
S
I
K
S
W
--
K
D
L
K
G
K
T
L
G
A
K
N
G
T
A
S
F
D
Y
L
N
A
H
A
K
E
Y
G
Y
T
V
K
T
F
T
D
A
T
T
M
Y
S
S
L
N
N
G
S
I
N
A
L
M
D
D
E
P
-
V
I
K
Y
-
A
I
K
Q
G
Q
----
K
F
A
T
P
--
I
K
------
P
-----
I
--
P
--
D
G
Q
Y
G
F
A
V
K
K
G
S
N
P
E
L
I
E
M
F
N
N
G
L
A
N
L
R
A
N
G
E
Y
D
K
I
I
D
K
Y
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
77.94
60%
-62
- C4 -
-
4G4P
2
?
A:
[17-244]
-----------------------------------------
F
Q
G
M
E
G
K
K
--
Y
T
I
G
T
D
L
T
F
A
P
F
E
F
Q
D
S
K
---
G
K
-
Y
I
G
I
D
V
D
L
L
D
A
I
A
K
D
Q
D
F
E
V
D
L
K
-
P
L
G
F
D
S
A
V
Q
A
I
Q
S
K
Q
I
D
G
M
I
A
G
M
S
I
T
D
E
R
K
K
S
F
D
F
S
D
P
Y
F
D
S
G
L
Q
L
A
V
K
K
-
G
N
D
K
I
K
S
Y
--
D
D
L
K
G
K
T
V
A
A
K
V
G
T
E
S
A
N
F
L
E
K
N
K
E
K
Y
D
Y
T
I
K
N
F
D
D
A
T
G
L
Y
K
A
L
E
N
G
E
A
D
A
I
V
D
D
Y
P
-
V
L
G
Y
-
A
V
K
N
G
Q
----
K
L
Q
L
V
--
G
D
------
K
-----
E
--
T
--
G
S
S
Y
G
F
A
V
K
K
G
Q
N
P
E
L
I
K
K
F
N
A
G
L
K
N
L
K
D
N
G
T
Y
D
K
I
L
N
N
Y
L
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
75.59
56%
-88
- C4 -
-
4OEN
-
?
A:
[4-223]
--------------------------------------------------
K
Y
I
I
A
S
D
S
S
F
A
P
F
V
F
Q
N
S
S
---
N
Q
-
Y
T
G
I
D
M
E
L
I
K
A
I
A
K
D
Q
G
F
E
I
E
I
T
-
N
P
G
F
D
A
A
I
S
A
V
Q
A
G
Q
A
D
G
I
I
A
G
M
S
V
T
D
A
R
K
A
T
F
D
F
S
E
S
Y
Y
T
A
N
T
I
L
G
V
K
E
--
S
S
N
I
A
S
Y
--
E
D
L
K
G
K
T
V
G
V
K
N
G
T
A
S
Q
T
F
L
T
E
N
Q
S
K
Y
G
Y
K
I
K
T
F
A
D
G
S
S
M
Y
D
S
L
N
T
G
A
I
D
A
V
M
D
D
E
P
-
V
L
K
Y
-
S
I
S
Q
G
Q
----
K
L
K
T
P
--
I
S
------
G
-----
T
--
P
--
I
G
E
T
A
F
A
V
K
K
G
A
N
P
E
L
I
E
M
F
N
N
G
L
A
N
L
K
A
N
G
E
F
Q
K
I
L
D
K
Y
L
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
74.79
54%
-77
- C4 -
-
4KR5
3
?
B:
[5-228]
----------------------------------------------
P
K
K
D
V
Y
T
I
A
S
D
N
S
F
A
P
F
E
F
Q
N
D
D
---
K
Q
-
F
T
G
I
D
V
D
L
L
N
A
I
A
K
N
Q
G
F
K
L
K
W
N
-
F
I
G
F
Q
A
A
V
D
S
V
Q
S
G
H
A
D
G
M
M
S
G
M
S
I
T
D
A
R
K
Q
V
F
D
Y
G
S
P
Y
Y
S
S
N
L
T
I
A
T
S
S
-
T
D
D
S
I
K
S
W
--
K
D
L
K
G
K
T
L
G
A
K
N
G
T
A
S
F
D
Y
L
N
A
H
A
K
E
Y
G
Y
T
V
K
T
F
T
D
A
T
T
M
Y
S
S
L
N
N
G
S
I
N
A
L
M
D
D
E
P
-
V
I
K
Y
-
A
I
K
Q
G
Q
----
K
F
A
T
P
--
I
K
------
P
-----
I
--
P
--
D
G
Q
Y
G
F
A
V
K
K
G
S
N
P
E
L
I
E
M
F
N
N
G
L
A
N
L
R
A
N
G
E
Y
D
K
I
I
D
K
Y
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
74.22
54%
-78
- C4 -
-
4KR5
3
?
A:
[5-228]
----------------------------------------------
P
K
K
D
V
Y
T
I
A
S
D
N
S
F
A
P
F
E
F
Q
N
D
D
---
K
Q
-
F
T
G
I
D
V
D
L
L
N
A
I
A
K
N
Q
G
F
K
L
K
W
N
-
F
I
G
F
Q
A
A
V
D
S
V
Q
S
G
H
A
D
G
M
M
S
G
M
S
I
T
D
A
R
K
Q
V
F
D
Y
G
S
P
Y
Y
S
S
N
L
T
I
A
T
S
S
-
T
D
D
S
I
K
S
W
--
K
D
L
K
G
K
T
L
G
A
K
N
G
T
A
S
F
D
Y
L
N
A
H
A
K
E
Y
G
Y
T
V
K
T
F
T
D
A
T
T
M
Y
S
S
L
N
N
G
S
I
N
A
L
M
D
D
E
P
-
V
I
K
Y
-
A
I
K
Q
G
Q
----
K
F
A
T
P
--
I
K
------
P
-----
I
--
P
--
D
G
Q
Y
G
F
A
V
K
K
G
S
N
P
E
L
I
E
M
F
N
N
G
L
A
N
L
R
A
N
G
E
Y
D
K
I
I
D
K
Y
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
69.13
48%
-71
- C4 -
-
4KPT
10
?
B:
[32-247]
-----------------------------------------------------
I
A
S
D
S
S
Y
A
P
F
E
F
Q
N
G
Q
---
K
K
-
W
V
G
I
D
V
D
I
M
Q
E
V
A
K
I
N
D
W
K
L
E
M
S
-
Y
P
G
F
D
A
A
L
Q
N
L
K
A
G
Q
V
D
G
I
I
A
G
M
T
I
T
D
E
R
K
E
T
F
D
F
S
N
P
Y
Y
T
S
A
L
T
I
A
T
T
K
--
D
S
K
L
S
D
Y
--
S
D
L
K
G
K
A
V
G
A
K
N
G
T
A
A
Q
T
W
L
Q
E
N
Q
K
K
Y
G
Y
T
I
K
T
Y
S
D
G
V
H
M
F
A
A
L
S
S
G
N
I
A
G
A
M
D
E
V
P
-
V
I
S
Y
-
A
M
K
Q
G
Q
----
D
L
A
M
N
--
F
P
------
S
-----
I
--
S
L-
P
G
G
Y
G
F
A
V
M
K
G
K
N
S
T
L
V
D
G
F
N
K
A
L
A
E
M
K
S
N
G
D
Y
D
K
I
L
K
K
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
66.54
48%
-72
- C4 -
-
4KPT
13
?
A:
[32-247]
-----------------------------------------------------
I
A
S
D
S
S
Y
A
P
F
E
F
Q
N
G
Q
---
K
K
-
W
V
G
I
D
V
D
I
M
Q
E
V
A
K
I
N
D
W
K
L
E
M
S
-
Y
P
G
F
D
A
A
L
Q
N
L
K
A
G
Q
V
D
G
I
I
A
G
M
T
I
T
D
E
R
K
E
T
F
D
F
S
N
P
Y
Y
T
S
A
L
T
I
A
T
T
K
--
D
S
K
L
S
D
Y
--
S
D
L
K
G
K
A
V
G
A
K
N
G
T
A
A
Q
T
W
L
Q
E
N
Q
K
K
Y
G
Y
T
I
K
T
Y
S
D
G
V
H
M
F
A
A
L
S
S
G
N
I
A
G
A
M
D
E
V
P
-
V
I
S
Y
-
A
M
K
Q
G
Q
----
D
L
A
M
N
--
F
P
------
S
-----
I
--
S
L-
P
G
G
Y
G
F
A
V
M
K
G
K
N
S
T
L
V
D
G
F
N
K
A
L
A
E
M
K
S
N
G
D
Y
D
K
I
L
K
K
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
65.72
48%
-74
- C4 -
-
4LA9
7
?
A:
[35-250]
-----------------------------------------------------
I
A
S
D
S
S
Y
A
P
F
E
F
Q
N
G
Q
---
K
K
-
W
V
G
I
D
V
D
I
M
Q
E
V
A
K
I
N
D
W
K
L
E
M
S
-
Y
P
G
F
D
A
A
L
Q
N
L
K
A
G
Q
V
D
G
I
I
A
G
M
T
I
T
D
E
R
K
E
T
F
D
F
S
N
P
Y
Y
T
S
A
L
T
I
A
T
T
K
--
D
S
K
L
S
D
Y
--
S
D
L
K
G
K
A
V
G
A
K
N
G
T
A
A
Q
T
W
L
Q
E
N
Q
K
K
Y
G
Y
T
I
K
T
Y
S
D
G
V
H
M
F
A
A
L
S
S
G
N
I
A
G
A
M
D
E
V
P
-
V
I
S
Y
-
A
M
K
Q
G
Q
----
D
L
A
M
N
--
F
P
------
S
-----
I
--
S
L-
P
G
G
Y
G
F
A
V
M
K
G
K
N
S
T
L
V
D
G
F
N
K
A
L
A
E
M
K
S
N
G
D
Y
D
K
I
L
K
K
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
64.07
35%
0
- C- -
-
4F3P
-
?
A:
[29-298]
----------------------------------------------------
V
V
G
T
D
T
S
F
M
P
F
E
F
K
Q
G
D
----
K
-
Y
V
G
F
D
L
D
L
W
A
E
I
A
K
G
A
G
W
T
Y
K
I
Q
-
P
M
D
F
A
G
L
I
P
A
L
Q
T
Q
N
I
D
V
A
L
S
G
M
T
I
K
E
E
R
R
K
A
I
D
F
S
D
P
Y
Y
D
S
G
L
A
A
M
V
Q
A
-
N
N
T
T
I
K
S
I
--
D
D
L
N
G
K
V
I
A
A
K
T
G
T
A
T
I
D
W
I
K
A
H
L
K
P
--
K
E
I
R
Q
F
P
N
I
D
Q
A
Y
L
A
L
E
A
G
R
V
D
A
A
M
H
D
T
P
N
V
L
F
F
-
V
N
N
E
G
K
G---
R
V
K
V
A
--
G
A
------
P
-----
V
--
S
--
G
D
K
Y
G
I
G
F
P
K
G
S
--
P
L
V
A
K
V
N
A
E
L
A
R
M
K
A
D
G
R
Y
A
K
I
Y
K
K
W
F
---
G
S
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
59.02
39%
-28
- C4 -
-
4ZV1
1
?
A:
[14-232]
-----------------------------------------------------
V
G
T
E
A
T
F
P
P
F
G
F
K
D
E
N
---
G
K
-
L
V
G
F
D
I
D
L
A
K
A
I
A
K
K
L
G
V
K
V
E
F
K
-
P
M
D
F
D
G
I
I
P
A
L
Q
S
G
K
I
D
V
V
I
A
G
M
T
I
T
E
E
R
K
K
Q
V
D
F
S
D
P
Y
F
E
A
G
Q
A
I
V
V
K
K
-
G
N
D
S
I
K
S
L
--
E
D
L
K
G
K
K
V
G
V
Q
L
G
S
T
S
E
Q
H
V
K
K
V
A
K
D
A
G
V
K
V
K
K
F
D
N
F
S
E
A
F
Q
E
L
K
S
G
R
V
D
A
V
V
T
D
N
A
-
V
A
L
A
-
Y
V
K
Q
N
P
----
N
A
G
V
K
--
I
V
------
G
-----
E
TF
S
--
G
E
P
Y
G
I
A
V
R
K
G
-
N
S
E
L
L
E
K
I
N
K
A
L
E
E
M
K
K
D
G
T
Y
D
K
I
Y
E
K
W
F
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
58.02
39%
-28
- C4 -
-
4ZV2
1
?
A:
[14-233]
-----------------------------------------------------
V
G
T
E
A
T
F
P
P
F
G
F
K
D
E
N
---
G
K
-
L
V
G
F
D
I
D
L
A
K
A
I
A
K
K
L
G
V
K
V
E
F
K
-
P
M
D
F
D
G
I
I
P
A
L
Q
S
G
K
I
D
V
V
I
A
G
M
T
I
T
E
E
R
K
K
Q
V
D
F
S
D
P
Y
F
E
A
G
Q
A
I
V
V
K
K
-
G
N
D
S
I
K
S
L
--
E
D
L
K
G
K
K
V
G
V
Q
L
G
S
T
S
E
Q
H
V
K
K
V
A
--
A
G
V
K
V
K
K
F
D
N
F
S
E
A
F
Q
E
L
K
S
G
R
V
D
A
V
V
T
D
N
A
-
V
A
L
A
-
Y
V
K
Q
N
P
----
N
A
G
V
K
--
I
V
------
G
-----
E
TF
S
--
G
E
P
Y
G
I
A
V
R
K
G
-
N
S
E
L
L
E
K
I
N
K
A
L
E
E
M
K
K
D
G
T
Y
D
K
I
Y
E
K
W
F
G
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
133
Fugue
55.91
20%
-31
- C2 -
-
4Q0C
-
BVGS_BORPE
A:
[33-545]
--------------
S
Q
E
L
T
L
----
V
G
K
A
A
V
P
D
V
E
V
A
L
D
G
D
D
W
R
W
L
A
R
K
R
V
L
T
L
G
V
Y
A
P
D
I
P
P
F
D
V
T
Y
G
E
----
R
-
Y
E
G
L
T
A
D
Y
M
A
I
I
A
H
N
L
G
M
Q
A
K
V
L
R
Y
P
T
R
E
Q
A
L
S
A
L
E
S
G
Q
I
D
-
L
I
G
T
V
N
G
T
D
G
R
Q
Q
S
L
R
L
S
V
P
Y
A
A
D
H
P
V
I
V
M
P
I
-
G
A
R
H
V
P
A
---
S
N
L
A
G
Q
R
L
A
V
D
I
N
Y
L
P
K
E
T
L
A
R
A
Y
P
Q
A
--
T
L
H
Y
F
P
S
S
E
Q
A
L
A
A
V
A
Y
G
Q
A
D
V
F
I
G
D
A
L
-
T
T
S
H
-
L
V
S
Q
S
Y
FND
V
R
V
V
A
P
--
A
H
------
I
-----
A
--
T
--
G
G
E
-
S
F
G
V
R
A
D
-
N
T
R
L
L
R
V
V
N
A
V
L
E
A
I
P
P
S
E
H
R
S
L
I
Y
R
W
G
L
G
S
-
S
I
S
L
DFAH
P
A
Y
S
A
R
E
Q
Q
W
M
A
D
H
P
V
V
K
V
A
V
L
N
L
F
A
P
F
T
L
F
R
T
D
E
Q
F
G
G
I
S
A
A
V
L
Q
L
L
Q
L
R
T
G
L
--
D
F
E
I
I
G
V
D
T
V
E
E
L
I
A
K
L
R
S
G
E
A
D
M
A
G
A
L
F
V
N
S
A
R
E
S
F
L
S
F
S
R
P
Y
V
R
N
G
M
V
I
V
T
R
Q
D
P
D
A
P
V
D
A
D
H
L
D
G
R
T
V
A
L
V
R
N
S
A
A
I
P
L
L
Q
R
R
Y
P
Q
A
K
V
V
T
A
D
N
P
S
E
A
M
L
M
V
A
N
G
Q
A
D
A
V
V
Q
T
----
Q
I
S
A
S
Y
Y
V
N
R
Y
F
A
G
K
L
R
I
A
S
A
L
D
L
P
P
A
E
I
A
L
A
T
TRGQ
T
E
L
M
S
I
L
N
K
A
L
Y
S
IS
N
D
E
L
A
S
I
I
S
R
W
R
G
S
D
G
D
P
R
T
W
Y
A
Y
R
N
E
I
Y
L
E
20
PsiBlast_PDB
55.83
33%
-17
- C4 -
-
4PSH
1
?
A:
[19-226]
-----------------------------------------------------------
F
P
P
F
E
F
V
D
E
N
---
G
N
-
I
V
G
F
D
V
D
L
A
K
E
I
A
R
R
L
G
V
E
L
K
I
V
-
D
M
T
F
D
G
L
I
P
S
L
L
T
K
K
I
D
V
I
I
S
G
M
T
I
T
E
E
R
K
K
V
V
A
F
S
D
P
Y
F
D
A
G
Q
V
I
V
V
R
K
D
S
D
F
R
P
K
T
Y
--
E
D
L
V
G
K
T
V
A
V
Q
I
G
T
T
G
D
I
E
V
S
K
Y
D
---
G
I
K
V
V
R
F
D
K
F
T
D
A
F
L
E
L
K
R
G
R
A
D
A
V
V
L
D
S
A
-
T
A
R
A
-
F
V
A
K
N
P
----
D
L
V
I
S
--
S
G
------
V
-----
L
--
S
--
S
E
Q
Y
G
I
A
V
R
K
-
E
D
T
D
L
L
E
F
I
N
S
V
L
R
E
L
K
K
S
-
P
Y
D
V
L
I
E
K
W
F
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
116
HHSearch
53.79
27%
-15
- C4 -
-
1LAH
1
ARGT_SALTY
E:
[3-237]
------------------------------------------------
P
Q
T
V
R
I
G
T
D
T
T
Y
A
P
F
S
S
K
D
A
K
---
G
E
-
F
I
G
F
D
I
D
L
G
N
E
M
C
K
R
M
Q
V
K
C
T
W
V
-
A
S
D
F
D
A
L
I
P
S
L
K
A
K
K
I
D
A
I
I
S
S
L
S
I
T
D
K
R
Q
Q
E
I
A
F
S
D
K
L
Y
A
A
D
S
R
L
I
A
A
K
-
G
S
P
I
Q
P
T
L
--
E
S
L
K
G
K
H
V
G
V
L
Q
G
S
T
Q
E
A
Y
A
N
D
N
W
R
T
K
G
V
D
V
V
A
Y
A
N
Q
D
L
I
Y
S
D
L
T
A
G
R
L
D
A
A
L
Q
D
E
V
-
A
A
S
E
G
F
L
K
Q
P
A
GK--
E
Y
A
F
A
--
G
P
------
S
VKDKK
Y
--
F
--
G
D
G
T
G
V
G
L
R
K
D
-
D
T
E
L
K
A
A
F
D
K
A
L
T
E
L
R
Q
D
G
T
Y
D
K
M
A
K
K
Y
F
D
F
-
N
V
Y
--------
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
110
HHSearch
53.36
35%
52
- C4 -
-
4YMX
1
?
B:
[37-259]
-------------------------------------------------
G
V
I
V
M
G
T
S
A
D
F
P
P
F
E
F
H
K
V
E
GGK
D
E
-
I
V
G
F
D
I
D
I
A
N
A
I
A
K
K
L
G
V
K
L
E
I
K
-
D
M
D
F
K
G
L
I
P
A
L
Q
A
G
R
V
D
M
V
I
A
G
M
T
P
T
A
E
R
K
K
S
V
D
F
S
D
L
Y
Y
D
S
R
Q
V
V
V
V
K
N
-
D
S
-
P
I
S
K
F
--
D
D
L
K
V
K
T
I
A
V
Q
I
G
T
T
S
E
E
A
A
K
K
I
---
P
N
V
K
L
K
Q
L
N
R
V
S
D
E
F
M
D
L
Q
N
G
R
C
D
A
I
V
V
E
D
T
-
V
A
K
A
-
Y
L
K
E
Y
K
----
D
M
K
I
L
YM
D
E
I-----
N
-----
N
--
V
--
E
N
G
S
A
V
A
V
A
K
G
-
N
K
S
L
L
D
V
V
N
E
V
I
K
E
L
K
Q
S
G
E
Y
D
K
L
V
D
K
W
F
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
127
Fugue
53.32
34%
-3
- C4 -
-
1GGG
-
GLNH_ECOLI
A:
[5-224]
---------------------------------------------------
L
V
V
A
T
D
T
A
F
V
P
F
E
F
K
Q
G
----
D
L
-
Y
V
G
F
D
V
D
L
W
A
A
I
A
K
E
L
K
L
D
Y
E
L
K
-
P
M
D
F
S
G
I
I
P
A
L
Q
T
K
N
V
D
L
A
L
A
G
I
T
I
T
D
E
R
K
K
A
I
D
F
S
D
G
Y
Y
K
S
G
L
L
V
M
V
K
A
-
N
N
N
D
V
K
S
V
KD
L
D
--
G
K
V
V
A
V
K
S
G
T
G
S
V
D
Y
A
K
A
N
I
K
T
K
--
D
L
R
Q
F
P
N
I
D
N
A
Y
M
E
L
G
T
N
R
A
D
A
V
L
H
D
T
P
-
N
I
L
--
Y
F
I
K
T
A
----
G
N
G
Q
F
--
K
A
V
G
DSLE------------
A
Q
Q
Y
G
I
A
F
P
K
G
-
S
D
E
L
R
D
K
V
N
G
A
L
K
T
L
R
E
N
G
T
Y
N
E
I
Y
K
K
W
F
G
T
E---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
52.40
35%
41
- C4 -
-
1WDN
1
GLNH_ECOLI
A:
[6-220]
----------------------------------------------------
V
V
A
T
D
T
A
F
V
P
F
E
F
K
--
Q
---
G
D
L
Y
V
G
F
D
V
D
L
W
A
A
I
A
K
E
L
K
L
D
Y
E
L
K
-
P
M
D
F
S
G
I
I
P
A
L
Q
T
K
N
V
D
L
A
L
A
G
I
T
I
T
D
E
R
K
K
A
I
D
F
S
D
G
Y
Y
K
S
G
L
L
V
M
V
K
A
-
N
N
N
D
V
K
S
V
--
K
D
L
D
G
K
V
V
A
V
K
S
G
T
G
S
V
D
Y
A
K
A
N
I
K
T
--
K
D
L
R
Q
F
P
N
I
D
N
A
Y
M
E
L
G
T
N
R
A
D
A
V
L
H
D
T
P
-
N
I
L
Y
-
F
I
K
T
A
G
----
N
G
Q
F
K
--
A
V
------
G
-----
D
--
S
LE
A
Q
Q
Y
G
I
A
F
P
K
G
S
D
-
E
L
R
D
K
V
N
G
A
L
K
T
L
R
E
N
G
T
Y
N
E
I
Y
K
K
W
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------