@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 : Lmo1131: (2016-03-21 )
MIDKRLFQLVEKKSLVLLILFRVLSLGLMIGLWLVFAQQLTHYLEGQNVDWLWLIGTVLVVLVGKAILTKLAEKQIYQASAELRLSMRRAVMEKAFRLGNNEGQLPASTLTQLAVDGIEQLEIYYSRFLPQLFYCLIASLMIFGSLVGFAWQPAIVLLICMPMIPIVIMAVMKIAKRILSGYWSDYTNLGTKFHENLSGLSILKAYDQDKYKQEEIVSDAERFRKATMSLLSMQLNSITIMDIISYSGAALGIGMSLIMFTNGTISMTGMLMFLLLSAEFFIPMRQLGSLFHVAMNGISACSKLFAYLELKEQVYGSVELAKPLEKIEVHHLTYTYEGGKAKALQDVSVHFNKGSFSALVGKSGSGKSTFVRVLLNQLPGYQGEIVWNDVPLASLSGEAIRKQAVLVDNHGYLYANSIRENLLIGNPAANDSDLWNVLEQVSLADFVRKLPEQLNENLEEDGSNLSGGQRQRLLLARALLRQAEVYVFDEITSGVDLESEKIILLVLQELAKEKIVLFISHRLYNVLGADQVLVFDAGKLLEVASPERLQQESNYFKNYFLEEEALLKGGA
Atome Classification :
(23 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.......510-........520.......530.......540...-....550--.......560.......570------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------------------------------------------------------------------MI
D
K
R
L
F
Q
L
V
E
-KK-
S
---
L
V
L
L
I
L
F
R
V
L
S
L
G
L
M
I
G
L
W
L
V
F
A
Q
Q
L
T
H
---
Y
L-EGQN-------VD-------------
W
L
W
L
I
G
T
V
L
V
V
L
V
G
K
A
I
L
T
K
L
A
E
K
Q
I
Y
Q
A
S
A
E
L
R
L
S
M
R
R
A
V
------
M
E
K
A
F
RL-GNNE-GQL
P
A
S
-
T
L
T
Q
L
A
V
D
G
I
E
Q
L
E
I
Y
Y
S
R
F
L
P
Q
L
F
Y
C
L
I
A
S
L
M
I
F
G
S
L
V
G
F--AW
Q
P
A
I
V
L
L
I
C
M
P
M
I
P
I
V
I
M
A
V
M
K
I
A
K
R
I
L
S
G
Y
W
S
D
Y
T
N
L
G
T
---
K
F
H
ENLSG
L
S
I
L
K
A
YDQ
D
K
Y
K
Q
E
E
I
V
S
D
A
E
R
F
R
K
A
T
M
S
---
L
L
S
M
QLN-------
S
I
T
I
M
D
I
IS--------YSG
A
A
L
G
I
G
M
S
L
I
M
FT------NG
T
I
S
M
T
G
M
L
M
F
L
L
L
S
A
E
F
F
I
P
M
R
Q
L
G
S
L
F
H
V
A
M
N
G
I
S
A
C
S
K
L
F
A
Y
L
E
L
---
K
E
Q
V
--Y---GS
V
-------
E
L
AK
P
L
E
----
K
----
I
E
----
V
H
H
L
T
Y
T
YEG-G-K
A
K
A
-
L
Q
D
V
S
V
H
FNKGS
F
S
A
LVGKSGS
G
K
S
T
F
V
R
V
L
L
N
QLPGY----QG
E
I
V
WNDVPLASL
S
G
E
A
I
R
K
Q
A
V
L
VDNH
G
Y
L
Y
A
N
S
IREN
L
L
IG--NP-A---A-N
D
S
D
L
W
N
V
L
E
Q
V
S
L
A
-
D
F
V
R
K
L
P
E
Q
L
N
E
N
L
E
EDGSNLSG
G
Q
R
Q
R
L
L
L
A
R
A
L
L
R
QA
E
V
Y
V
F
DEITSGVDLES
E
K
I
I
L
L
V
L
Q
E
L
A
--KE
K
I
V
L
F
I
S
H
R
L
Y
N
V
LGA
D
Q
V
L
V
FDAGKLLEVA
S
-
P
E
R
L
Q
Q
E
--
S
N
Y
F
K
N
YFL
E
E
E
A
L
LKGGA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
91.97
22%
-123
- C1 -
3QF4
1
Y288_THEMA
B:
[26-594]
-------------------------------------------------------------------------
R
R
L
L
G
Y
L
R
-
P
H
-
T
---
F
T
L
I
M
V
F
V
F
V
T
V
S
S
I
L
G
V
-------
L
S
P
---
Y
L
-
I
G
K
T
-------
I
D
V
VFVPRRFDL
L
P
R
Y
M
L
I
L
G
T
I
Y
A
L
---
T
S
L
L
F
W
L
Q
G
K
I
M
L
T
L
S
Q
D
V
V
F
R
L
R
K
E
L
------
F
E
K
L
Q
R
V
-
P
V
G
F
F
D
R
T
P
H
G
-
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
S
G
I
V
T
---
L
A
G
A
V
I
M
M
--
F
R
V
N
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
F
T
R
E
E
K
E
M
E
K
F
D
R
V
N
E
S
L
R
K
V
G
T
K
---
A
Q
I
F
S
G
V
-------
L
P
P
L
M
N
M
V
N
--------
N
L
G
F
A
L
I
S
G
F
G
G
W
L
A
L
------
K
D
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
F
T
R
P
L
N
E
L
S
N
Q
F
N
M
I
Q
M
A
L
A
S
A
E
R
I
F
E
I
L
D
L
---
E
E
E
K
D
D
P
---
D
A
V
-------
E
L
R
E
V
R
G
----
E
----
I
E
----
F
K
N
V
W
F
S
Y
D
K
---
K
K
P
V
-
L
K
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
----
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
--
N
P
-
G
---
A
-
T
D
E
E
I
K
E
A
A
K
L
T
H
S
D
-
H
F
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
S
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
-
H
D
E
L
I
Q
K
--
R
G
F
Y
Y
E
L
F
T
S
Q
Y
G
L
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
91.70
22%
-117
- C1 -
4Q4H
-
Y288_THEMA
B:
[26-592]
-------------------------------------------------------------------------
R
R
L
L
G
Y
L
R
-
P
H
-
T
---
F
T
L
I
M
V
F
V
F
V
T
V
S
S
I
L
G
V
-------
L
S
P
---
Y
L
-
I
G
K
T
-------
I
D
V
VFVPRRFDL
L
P
R
Y
M
L
I
L
G
T
I
Y
A
L
---
T
S
L
L
F
W
L
Q
G
K
I
M
L
T
L
S
Q
D
V
V
F
R
L
R
K
E
L
------
F
E
K
L
Q
R
V
-
P
V
G
F
F
D
R
T
P
H
G
-
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
S
G
I
V
T
---
L
A
G
A
V
I
M
M
--
F
R
V
N
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
F
T
R
E
E
K
E
M
E
K
F
D
R
V
N
E
S
L
R
K
V
G
T
K
---
A
Q
I
F
S
G
V
-------
L
P
P
L
M
N
M
V
N
--------
N
L
G
F
A
L
I
S
G
F
G
G
W
L
A
L
------
K
D
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
F
T
R
P
L
N
E
L
S
N
Q
F
N
M
I
Q
M
A
L
A
S
A
E
R
I
F
E
I
L
D
L
---
E
E
E
K
D
D
P
---
D
A
V
-------
E
L
R
E
V
R
G
----
E
----
I
E
----
F
K
N
V
W
F
S
Y
D
K
---
K
K
P
V
-
L
K
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
----
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
--
N
P
-
G
---
A
-
T
D
E
E
I
K
E
A
A
K
L
T
H
S
D
-
H
F
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
S
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
-
H
D
E
L
I
Q
K
--
R
G
F
Y
Y
E
L
F
T
S
Q
Y
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
91.16
22%
-120
- C1 -
4Q4A
1
Y288_THEMA
B:
[26-593]
-------------------------------------------------------------------------
R
R
L
L
G
Y
L
R
-
P
H
-
T
---
F
T
L
I
M
V
F
V
F
V
T
V
S
S
I
L
G
V
-------
L
S
P
---
Y
L
-
I
G
K
T
-------
I
D
V
VFVPRRFDL
L
P
R
Y
M
L
I
L
G
T
I
Y
A
L
---
T
S
L
L
F
W
L
Q
G
K
I
M
L
T
L
S
Q
D
V
V
F
R
L
R
K
E
L
------
F
E
K
L
Q
R
V
-
P
V
G
F
F
D
R
T
P
H
G
-
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
S
G
I
V
T
---
L
A
G
A
V
I
M
M
--
F
R
V
N
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
F
T
R
E
E
K
E
M
E
K
F
D
R
V
N
E
S
L
R
K
V
G
T
K
---
A
Q
I
F
S
G
V
-------
L
P
P
L
M
N
M
V
N
--------
N
L
G
F
A
L
I
S
G
F
G
G
W
L
A
L
------
K
D
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
F
T
R
P
L
N
E
L
S
N
Q
F
N
M
I
Q
M
A
L
A
S
A
E
R
I
F
E
I
L
D
L
---
E
E
E
K
DD
P
---
D
A
V
-------
E
L
R
E
V
R
G
----
E
----
I
E
----
F
K
N
V
W
F
S
Y
D
K
---
K
K
P
V
-
L
K
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
----
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
--
N
P
-
G
---
A
-
T
D
E
E
I
K
E
A
A
K
L
T
H
S
D
-
H
F
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
S
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
-
H
D
E
L
I
Q
K
--
R
G
F
Y
Y
E
L
F
T
S
Q
Y
G
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
88.78
21%
-117
- C1 -
4Q4J
-
Y288_THEMA
B:
[26-592]
-------------------------------------------------------------------------
R
R
L
L
G
Y
L
R
-
P
H
-
T
---
F
T
L
I
M
V
F
V
F
V
T
V
S
S
I
L
G
V
-------
L
S
P
---
Y
L
-
I
G
K
T
-------
I
D
V
VFVPRRFDL
L
P
R
Y
M
L
I
L
G
T
I
Y
A
L
---
T
S
L
L
F
W
L
Q
G
K
I
M
L
T
L
S
Q
D
V
V
F
R
L
R
K
E
L
------
F
E
K
L
Q
R
V
-
P
V
G
F
F
D
R
T
P
H
G
-
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
S
G
I
V
T
---
L
A
G
A
V
I
M
M
--
F
R
V
N
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
F
T
R
E
E
K
E
M
E
K
F
D
R
V
N
E
S
L
R
K
V
G
T
K
---
A
Q
I
F
S
G
V
-------
L
P
P
L
M
N
M
V
N
--------
N
L
G
F
A
L
I
S
G
F
G
G
W
L
A
L
------
K
D
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
F
T
R
P
L
N
E
L
S
N
Q
F
N
M
I
Q
M
A
L
A
S
A
E
R
I
F
E
I
L
D
L
---
E
E
E
K
DD
P
---
D
A
V
-------
E
L
R
E
V
R
G
----
E
----
I
E
----
F
K
N
V
W
F
S
Y
D
K
---
K
K
P
V
-
L
K
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
----
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
--
N
P
-
G
---
A
-
T
D
E
E
I
K
E
A
A
K
L
T
H
S
D
-
H
F
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
C
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
-
H
D
E
L
I
Q
K
--
R
G
F
Y
Y
E
L
F
T
S
Q
Y
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
82.97
21%
-117
- C1 -
3WMG
6
?
A:
[15-598]
-------------------------------------------------------------------------
R
R
I
F
A
L
A
W
-
S
S
-
S
A
T
M
I
V
I
G
F
I
A
S
I
L
E
G
A
T
L
P
A
F
A
I
V
F
G
R
M
F
Q
V
---
F
T
-
K
S
K
S
Q
I
E
----
G
E
-------------
T
W
K
Y
S
V
G
F
V
G
I
G
V
F
E
F
I
V
A
G
S
R
T
A
L
F
G
I
A
S
E
R
L
A
R
D
L
R
V
A
A
------
F
S
N
L
V
E
Q
-
D
V
T
Y
F
D
R
R
K
A
G
-
E
L
G
G
K
L
N
N
D
V
Q
V
I
Q
Y
S
F
S
K
L
-
G
A
V
L
F
N
L
A
Q
C
V
V
G
I
I
V
A
F
I
F
--
A
P
A
L
T
G
V
L
I
A
L
S
P
L
V
V
L
A
V
V
V
Q
M
I
E
M
S
G
N
T
K
R
S
S
E
A
Y
A
S
A
G
S
---
V
A
A
E
V
F
S
N
I
R
T
T
K
A
F
E
A
E
R
Y
E
T
Q
R
Y
G
S
K
L
D
P
L
Y
R
L
G
R
R
---
R
Y
I
S
D
G
L
-------
F
F
G
L
S
M
L
V
I
--------
F
C
V
Y
A
L
A
L
W
W
G
G
Q
L
I
A
------
R
G
S
L
N
L
G
N
L
L
T
A
F
F
S
A
I
L
G
F
M
G
V
G
Q
A
A
Q
V
W
P
D
V
T
R
G
L
G
A
G
G
E
L
F
A
M
I
D
R
---
V
P
Q
Y
--
R
---
R
P
D
PG
A
E
V
V
T
Q
P
L
V
L
K
Q
----
G
----
I
V
----
F
E
N
V
H
F
R
Y
P
T
-
R
M
N
V
E
V
-
L
R
G
I
S
L
T
I
P
N
G
K
T
V
A
I
V
G
G
S
G
A
G
K
S
T
I
I
Q
L
L
M
R
F
Y
D
I
E
PQG-
G
G
L
L
L
F
D
G
T
P
A
W
N
Y
D
F
H
A
L
R
S
Q
I
G
L
V
S
Q
E
P
V
L
F
S
G
T
I
R
D
N
I
L
Y
G
--
K
R
-
D
---
A
-
T
D
E
E
V
I
Q
A
L
R
E
A
N
A
Y
-
S
F
V
M
A
L
P
D
G
L
D
T
E
V
G
E
R
G
L
A
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
I
L
K
H
P
T
L
L
C
L
D
E
S
T
S
A
L
D
A
E
S
E
A
L
V
Q
E
A
L
D
R
M
M
A
S
D
G
V
T
S
V
V
I
A
H
R
L
S
T
V
A
R
A
D
L
I
L
V
M
Q
D
G
V
V
V
E
Q
G
N
-
H
S
E
L
M
A
L
GP
S
G
F
Y
Y
Q
L
V
E
K
Q
L
A
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
Fugue
80.93
21%
-111
- C1 -
3B60
2
MSBA_SALTY
A:
[10-581]
---------------------------------------------------------------------W
Q
T
F
R
R
L
W
P
T
I
A
-
P
F
-
K
---
A
G
L
I
V
A
G
I
A
L
I
L
N
A
A
S
D
T
F
M
L
S
L
L
K
P
L
L
DDG
F
G
-
K
T
D
R
-------
S
V
-------------
L
L
W
M
P
L
V
V
I
G
L
M
I
L
R
G
I
T
S
Y
I
S
S
Y
C
I
S
W
V
S
G
K
V
V
M
T
M
R
R
R
L
------
F
G
H
M
M
G
M
P
V
A
F
F
-
D
K
Q
S
T
G
-
T
L
L
S
R
I
T
Y
D
S
E
Q
V
A
S
S
S
S
G
A
L
I
T
V
V
R
E
G
A
S
I
I
G
L
F
I
M
M
F
Y
Y
--
S
W
Q
L
S
I
I
L
V
V
L
A
P
I
V
S
I
A
I
R
V
V
S
K
R
F
R
S
I
S
K
N
M
Q
N
T
M
G
Q
V
T
T
---
S
A
E
Q
M
L
K
G
H
K
E
V
L
I
F
G
G
Q
E
V
E
T
K
R
F
D
K
V
S
N
K
M
R
L
Q
G
M
K
---
M
V
S
A
S
S
I
-------
S
D
P
I
I
Q
L
I
A
--------
S
L
A
L
A
F
V
L
Y
A
A
S
F
P
S
V
------
M
D
S
L
T
A
G
T
I
T
V
V
F
S
S
M
I
A
L
M
R
P
L
K
S
L
T
N
V
N
A
Q
F
Q
R
G
M
A
A
C
Q
T
L
F
A
I
L
D
S
---
E
Q
E
K
--
D
---
E
G
K
-------
R
V
I
D
R
A
T
G---
D
----
L
E
----
F
R
N
V
T
F
T
Y
P
G
-
R
-
E
V
P
A
-
L
R
N
I
N
L
K
I
P
A
G
K
T
V
A
L
V
G
R
S
G
S
G
K
S
T
I
A
S
L
I
T
R
F
Y
D
I
D
----
E
G
H
I
L
M
D
G
H
D
L
R
E
Y
T
L
A
S
L
R
N
Q
V
A
L
V
S
Q
N
V
H
L
F
N
D
T
V
A
N
N
I
A
Y
A
--
R
T
E
E
---
Y
-
S
R
E
Q
I
E
E
A
A
R
M
A
Y
A
M
-
D
F
I
N
K
M
D
N
G
L
D
T
I
I
G
E
N
G
V
L
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
L
R
D
S
P
I
L
I
L
D
E
A
T
S
A
L
D
T
E
S
E
R
A
I
Q
A
A
L
D
E
L
Q
--
K
N
R
T
S
L
V
I
A
H
R
L
S
T
I
E
Q
A
D
E
I
V
V
V
E
D
G
I
I
V
E
R
G
T
-
H
S
E
L
L
A
Q
--
H
G
V
Y
A
Q
L
H
K
M
Q
F
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
79.80
22%
-107
* C1 *
3B60
2
MSBA_SALTY
A:
[15-581]
--------------------------------------------------------------------------
R
L
W
P
T
I
A
-
P
F
K
A
G
--
L
I
V
A
G
I
A
L
I
L
N
A
A
S
D
T
F
M
L
S
L
L
K
P
L
L
D
D
---
G
F
-
G
K
T
D
R------
S
V
-------------
L
L
W
M
P
L
V
V
I
G
L
M
I
L
R
G
I
T
S
Y
I
S
S
Y
C
I
S
W
V
S
G
K
V
V
M
T
M
R
R
R
L
------
F
G
H
M
M
G
M
-
P
V
A
F
F
D
K
Q
S
T
G
-
T
L
L
S
R
I
T
Y
D
S
E
Q
V
A
S
S
S
S
G
A
L
I
T
V
V
R
E
G
A
S
I
I
G
L
F
I
M
M
F
Y
Y
--
S
W
Q
L
S
I
I
L
V
V
L
A
P
I
V
S
I
A
I
R
V
V
S
K
R
F
R
S
I
S
K
N
M
Q
N
T
M
G
Q
V
T
T
---
S
A
E
Q
M
L
K
G
H
K
E
V
L
I
F
G
G
Q
E
V
E
T
K
R
F
D
K
V
S
N
K
M
R
L
Q
G
M
K
---
M
V
S
A
S
S
I
-------
S
D
P
I
I
Q
L
I
A
--------
S
L
A
L
A
F
V
L
Y
A
A
S
F
P
S
V
------
M
D
S
L
T
A
G
T
I
T
V
V
F
S
S
M
I
A
L
M
R
P
L
K
S
L
T
N
V
N
A
Q
F
Q
R
G
M
A
A
C
Q
T
L
F
A
I
L
D
S
---
E
Q
E
K
--
D
---
E
G
K
R------
V
I
D
R
A
T
G
----
D
----
L
E
----
F
R
N
V
T
F
T
Y
P
G
-
R
-
E
V
P
A
-
L
R
N
I
N
L
K
I
P
A
G
K
T
V
A
L
V
G
R
S
G
S
G
K
S
T
I
A
S
L
I
T
R
F
Y
D
I
D
----
E
G
H
I
L
M
D
G
H
D
L
R
E
Y
T
L
A
S
L
R
N
Q
V
A
L
V
S
Q
N
V
H
L
F
N
D
T
V
A
N
N
I
A
Y
A
--
R
T
-
E
E--
Y
-
S
R
E
Q
I
E
E
A
A
R
M
A
Y
A
M
-
D
F
I
N
K
M
D
N
G
L
D
T
I
I
G
E
N
G
V
L
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
L
R
D
S
P
I
L
I
L
D
E
A
T
S
A
L
D
T
E
S
E
R
A
I
Q
A
A
L
D
E
L
Q
--
K
N
R
T
S
L
V
I
A
H
R
L
S
T
I
E
Q
A
D
E
I
V
V
V
E
D
G
I
I
V
E
R
G
T
-
H
S
E
L
L
A
Q
--
H
G
V
Y
A
Q
L
H
K
M
Q
F
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
75.98
19%
-115
- C1 -
3ZDQ
6
ABCBA_HUMAN
A:
[7-572]
------------------------------------------------------------------------
A
R
K
L
L
G
L
A
Y
P
E
R
-
R
R
--
L
A
A
A
V
G
F
L
T
M
S
S
V
I
S
M
S
A
P
F
F
L
G
K
I
I
D
V
---
I
Y
-
T
N
P
T
VDY
S
---
D
N
-------------
L
T
R
L
C
L
G
L
S
A
V
F
L
C
G
A
A
A
N
A
I
R
V
Y
L
M
Q
T
S
G
Q
R
I
V
N
R
L
R
T
S
L
------
F
S
S
I
L
R
Q
-
E
V
A
F
F
D
K
T
R
T
G
-
E
L
I
N
R
L
S
S
D
T
A
L
L
G
R
S
V
T
E
N
L
S
D
G
L
R
A
G
A
Q
A
S
V
G
I
S
M
M
F
F
V
--
S
P
N
L
A
T
F
V
L
S
V
V
P
P
V
S
I
I
A
V
I
Y
G
R
Y
L
R
K
L
T
K
V
T
Q
D
S
L
A
Q
A
T
Q
---
L
A
E
E
R
I
G
N
V
R
T
V
R
A
F
G
K
E
M
T
E
I
E
K
Y
A
S
K
V
D
H
V
M
Q
L
A
R
K
---
E
A
F
A
R
A
G
-------
F
F
G
A
T
G
L
S
G
--------
N
L
I
V
L
S
V
L
Y
K
G
G
L
L
M
G
------
S
A
H
M
T
V
G
E
L
S
S
F
L
M
Y
A
F
W
V
G
I
S
I
G
G
L
S
S
F
Y
S
E
L
M
K
G
L
G
A
G
G
R
L
W
E
L
L
E
R
---
E
P
K
L
--
P
---
F
N
E
G
V
I
L
---
N
E
K
S
F
Q
G
----
A
----
L
E
----
F
K
N
V
H
F
A
Y
P
A
-
R
P
E
V
P
I
-
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
----
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
W
L
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
E
N
I
A
Y
G
--
A
D
-
D
PSS
V
-
T
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
-
A
F
I
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
L
M
--
D
G
R
T
V
L
V
I
A
H
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
-
H
E
E
L
L
S
K
P---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
Fugue
74.52
21%
-116
- C1 -
4F4C
3
PGP1_CAEEL
A:
[4-1306]
N
G
S
L
R
Q
S
L
R
T
L
D
S
F
SLA
P
E
D
V
L
K
T
A
I
K
T
V
E
D
Y
EGDNIDSNG
E
I
K
I
TRDEVV
N
K
V
S
I
P
Q
L
Y
RYTT
T
L
E
K
L
L
L
F
I
G
T
L
V
A
V
I
T
-
G
A
-
G
---
L
P
L
M
S
I
L
Q
G
K
V
S
Q
A
F
I
N
E
Q
I
V
I
N
N
N
G
S
T
---
F
L
P
T
G
Q
N
YT
K
T
D
F
E
H
D
-------------
V
M
N
V
V
W
S
Y
A
A
M
T
V
G
M
W
A
A
G
Q
I
T
V
T
C
Y
L
Y
V
A
E
Q
M
N
N
R
L
R
R
E
F
------
V
K
S
I
L
R
Q
-
E
I
S
W
-
F
D
T
N
H
S
G
T
L
A
T
K
L
F
D
N
L
E
R
V
K
E
G
T
G
D
K
I
G
M
A
F
Q
Y
L
S
Q
F
I
T
G
F
I
V
A
F
T
H
--
S
W
Q
L
T
L
V
M
L
A
V
T
P
I
Q
A
L
C
G
F
A
I
A
K
S
M
S
T
F
A
I
R
E
T
L
R
Y
A
K
A
G
K
---
V
V
E
E
T
I
S
S
I
R
T
V
V
S
L
N
G
L
R
Y
E
L
E
R
Y
S
T
A
V
E
E
A
K
K
A
G
V
L
---
K
G
L
F
L
G
I
-------
S
F
G
A
M
Q
A
S
N
--------
F
I
S
F
A
L
A
F
Y
I
G
V
G
W
V
H
------
D
G
S
L
N
F
G
D
M
L
T
T
F
S
S
V
M
M
G
S
M
A
L
G
L
A
G
P
Q
L
A
V
L
G
T
A
Q
G
A
A
S
G
I
Y
E
V
L
D
R
---
K
P
V
I
--
D
---
S
S
S
-------
K
A
G
R
K
D
M
----
K
IK
G
D
I
T
----
V
E
N
V
H
F
T
Y
P
S
-
R
-
P
D
V
P
I
L
R
G
M
N
L
R
V
N
A
G
Q
T
V
A
L
V
G
S
S
G
C
G
K
S
T
I
I
S
L
L
L
R
Y
Y
D
V
L
----
K
G
K
I
T
I
D
G
V
D
V
R
D
I
N
L
E
F
L
R
K
N
V
A
V
V
S
Q
E
P
A
L
F
N
C
T
I
E
E
N
I
S
L
G
--
K
E
-
G
---
I
-
T
R
E
E
M
V
A
A
C
K
M
A
N
A
E
-
K
F
I
K
T
L
P
N
G
Y
N
T
L
V
G
D
R
G
T
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
S
E
G
I
V
Q
Q
A
L
D
K
A
A
--
K
G
R
T
T
I
I
I
A
H
R
L
S
T
I
R
N
A
D
L
I
I
S
C
K
N
G
Q
V
V
E
V
G
D
-
H
R
A
L
M
A
Q
--
Q
G
L
Y
Y
D
L
V
T
A
Q
T
F
T
D
A
V
D
S
A
A
E
GER
I
G
K
D
A
L
S
R
L
K
Q
E
L
E
ENNAQKTN
L
F
E
I
L
Y
H
A
RPH
A
L
S
L
F
I
G
M
S
T
A
T
I
G
G
F
I
Y
P
T
Y
S
V
F
F
T
S
F
M
N
V
F
AGNPADFL
S
Q
G
H
F
W
A
L
M
F
L
V
L
A
A
A
Q
G
I
C
S
F
L
M
T
F
F
M
G
I
A
S
E
S
L
T
R
D
L
R
N
K
L
F
R
N
V
L
S
QHIGFFDSPQNA
S
G
K
I
S
T
R
L
A
T
D
V
P
N
L
R
T
A
I
D
F
R
F
S
T
V
I
T
T
L
V
S
M
V
A
G
I
G
L
A
F
F
Y
G
W
Q
M
A
L
L
I
I
A
I
L
P
I
V
A
F
G
Q
Y
L
R
G
RRFTGKNVKSA
S
E
F
A
D
S
G
K
I
A
I
E
A
I
E
N
V
R
T
V
Q
A
L
AR
E
D
T
F
Y
E
N
F
C
E
K
L
D
I
P
H
K
E
A
I
K
E
A
F
I
Q
G
L
S
Y
G
C
A
S
S
V
L
Y
L
L
N
T
C
A
Y
R
M
G
L
A
L
I
I
TDPPTMQ
P
M
R
V
L
R
V
M
Y
A
I
T
I
S
T
S
TLGFAT
S
Y
F
P
E
Y
A
K
A
T
F
A
G
G
I
I
F
G
M
L
R
KISKIDSLSLAGEKKKLYGK
V
I
F
K
N
V
R
F
A
Y
PERPEIEILK
G
L
S
F
S
V
E
PG
Q
T
L
A
L
V
G
P
S
GCGKST
V
V
A
L
L
E
RFYDTL
G
G
E
I
F
I
DGSEIKTLN
P
E
H
T
R
S
Q
I
A
I
V
S
Q
E
P
T
L
F
DCS
I
A
E
N
I
I
YGLDPSSVT
M
A
Q
V
E
E
A
A
R
L
A
NI
H
N
F
I
A
E
LPEGFETRVGDRGTQLS
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
NPK
I
L
L
L
D
EATSALDT
E
S
E
K
V
V
Q
E
A
L
D
R
A
R
EG
R
T
C
I
V
I
A
HRLNTVMNAD
C
I
A
V
V
S
NGTII
E
K
G
T
H
T
Q
L
M
S
E
K
12
PsiBlast_PDB
73.78
26%
-94
- C1 -
3B60
2
MSBA_SALTY
A:
[65-572]
------------------------------------------------------------------------------------------------------------------------------------------------------
L
W
M
P
L
V
V
I
G
L
M
I
L
R
G
I
T
S
Y
I
S
S
Y
C
I
S
W
V
S
G
K
V
V
M
T
M
R
R
R
L
F
G
H
M
M
G
M
P
V
A
F
F
D
-
K
Q
S
T
-
G
T
L
-----
L
S
R
I
T
Y
D
S
-
E
Q
V
A
S
S
S
S
G
A
L
I
T
V
V
R
E
G
A
S
I
I
G
L
F
I
M
M
F
Y
Y
--
S
W
Q
L
S
I
I
L
V
V
L
A
P
I
V
S
I
A
I
R
V
V
S
K
R
F
R
S
I
S
K
N
M
Q
N
T
M
G
Q
V
T
T
---
S
A
E
Q
M
L
K
G
H
K
E
V
L
I
F
G
G
Q
E
V
E
T
K
R
F
D
K
V
S
N
K
M
R
L
Q
G
M
K
---
M
V
S
A
S
S
I
-------
S
D
P
I
I
Q
L
I
A
S
L
A
L
A
F
V
L
Y
A
A
S
F
P
S
V
M
D
S
L
---
T
------
A
G
T
I
T
V
V
F
S
S
M
I
A
L
M
R
-----
P
L
K
S
L
T
N
V
N
A
Q
F
Q
R
G
M
A
A
C
Q
T
L
F
A
I
L
D
S
E--
Q
E
K
D
--
E
---
G
K
R
-------
V
I
D
R
A
T
G
----
D
----
L
E
----
F
R
N
V
T
F
T
Y
P
G
-
R
-
E
V
P
A
-
L
R
N
I
N
L
K
I
P
A
G
K
T
V
A
L
V
G
R
S
G
S
G
K
S
T
I
A
S
L
I
T
R
F
Y
D
I
D
----
E
G
H
I
L
M
D
G
H
D
L
R
E
Y
T
L
A
S
L
R
N
Q
V
A
L
V
S
Q
N
V
H
L
F
N
D
T
V
A
N
N
I
A
Y
A
--
R
T
-
E
---
E
-
Y
S
R
E
Q
I
E
E
A
A
R
M
A
Y
A
M
D
F
I
N
K
M
D
N
G
L
D
T
I
I
G
E
N
G
V
L
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
L
R
D
S
P
I
L
I
L
D
E
A
T
S
A
L
D
T
E
S
E
R
A
I
Q
A
A
L
D
E
L
Q
--
K
N
R
T
S
L
V
I
A
H
R
L
S
T
I
E
Q
A
D
E
I
V
V
V
E
D
G
I
I
V
E
R
G
T
H
S
E
L
L
A
Q
H
--
G
V
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
70.31
25%
-108
- C1 -
4F4C
-
PGP1_CAEEL
A:
[222-696]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
F
I
T
G
F
I
V
A
F
T
H
S
W
Q
L
T
L
V
M
L
A
V
T
P
I
Q
A
L
C
G
F
A
I
A
K
S
M
S
T
F
A
I
R
E
T
L
R
Y
A
K
A
G
K
---
V
V
E
E
T
I
S
S
I
R
T
V
V
S
L
N
G
L
R
Y
E
L
E
R
Y
S
T
A
V
E
E
A
K
K
A
G
V
L
K
G
L
F
L
G
I
S
F
G
-------
A
M
Q
A
S
N
F
I
S
--------
F
A
-
L
A
F
Y
I
G
V
G
W
V
H
--------
D
G
S
L
N
F
G
D
M
L
T
T
F
S
S
V
M
M
G
S
M
A
L
G
L
A
G
P
Q
L
A
V
L
G
T
A
Q
G
A
A
S
G
I
Y
E
V
L
D
R
---
K
P
V
I
--
D
---
S
S
S
-------
K
A
G
R
K
D
M
----
K
----
I
K
G
D
I
T
V
E
N
V
H
F
T
Y
P
S
R
P
-
D
V
P
I
-
L
R
G
M
N
L
R
V
N
A
G
Q
T
V
A
L
V
G
S
S
G
C
G
K
S
T
I
I
S
L
L
L
R
Y
Y
D
V
L
----
K
G
K
I
T
I
D
G
V
D
V
R
D
I
N
L
E
F
L
R
K
N
V
A
V
V
S
Q
E
P
A
L
F
N
C
T
I
E
E
N
I
S
L
G
--
K
E
-
G
---
I
-
T
R
E
E
M
V
A
A
C
K
M
A
N
A
E
-
K
F
I
K
T
L
P
N
G
Y
N
T
L
V
G
D
R
G
T
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
S
E
G
I
V
Q
Q
A
L
D
K
A
A
--
K
G
R
T
T
I
I
I
A
H
R
L
S
T
I
R
N
A
D
L
I
I
S
C
K
N
G
Q
V
V
E
V
G
D
-
H
R
A
L
M
A
Q
--
Q
G
L
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
59.29
27%
-98
- C1 -
2ONJ
4
Y1866_STAAM
A:
[204-562]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
E
R
V
Q
G
I
S
V
V
K
S
F
A
I
E
D
-------
N
E
A
K
N
F
D
K
K
N
T
N
---
F
L
T
R
A
L
K
H
T
R
W
N
A
Y
S
F
A
A
I
N
T
V
T
--------
D
I
G
P
I
I
V
I
G
V
G
A
Y
L
A
I
------
S
G
S
I
T
V
G
T
L
A
A
F
V
G
Y
L
E
L
L
F
G
P
L
R
R
L
V
A
S
F
T
T
L
T
Q
S
F
A
S
M
D
R
V
F
Q
L
I
D
E
---
D
Y
D
I
--
K
---
N
G
V
-------
G
-
A
Q
P
I
E
IKQG
R
----
I
D
----
I
D
H
V
S
F
Q
Y
N
D
-
N
-
E
A
P
I
-
L
K
D
I
N
L
S
I
E
K
G
E
T
V
A
F
V
G
M
S
G
G
G
K
S
T
----
L
I
N
L
I
P
R
F
YDVT
S
G
Q
I
L
I
D
G
H
N
I
K
D
F
L
T
G
S
L
R
N
Q
I
G
L
V
Q
Q
D
N
I
L
F
S
D
T
V
K
E
N
I
L
L
G
--
R
P
-
T
---
A
-
T
D
E
E
V
V
E
A
A
K
M
A
N
A
H
-
D
F
I
M
N
L
P
Q
G
Y
D
T
E
V
G
E
R
G
V
K
L
S
G
G
Q
K
Q
R
L
S
I
A
R
I
F
L
N
N
P
P
I
L
I
L
D
E
A
T
S
A
L
D
L
E
S
E
S
I
I
Q
E
A
L
D
V
L
S
--
K
D
R
T
T
L
I
V
A
H
R
L
S
T
I
T
H
A
D
K
I
V
V
I
E
N
G
H
I
V
E
T
G
T
-
H
R
E
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
58.96
27%
-98
- C1 -
2HYD
3
Y1866_STAAM
A:
[204-562]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
E
R
V
Q
G
I
S
V
V
K
S
F
A
I
E
D
-------
N
E
A
K
N
F
D
K
K
N
T
N
---
F
L
T
R
A
L
K
H
T
R
W
N
A
Y
S
F
A
A
I
N
T
V
T
--------
D
I
G
P
I
I
V
I
G
V
G
A
Y
L
A
I
------
S
G
S
I
T
V
G
T
L
A
A
F
V
G
Y
L
E
L
L
F
G
P
L
R
R
L
V
A
S
F
T
T
L
T
Q
S
F
A
S
M
D
R
V
F
Q
L
I
D
E
---
D
Y
D
I
--
K
---
N
G
V
-------
G
-
A
Q
P
I
E
IKQG
R
----
I
D
----
I
D
H
V
S
F
Q
Y
N
D
-
N
-
E
A
P
I
-
L
K
D
I
N
L
S
I
E
K
G
E
T
V
A
F
V
G
M
S
G
G
G
K
S
T
----
L
I
N
L
I
P
R
F
YDVT
S
G
Q
I
L
I
D
G
H
N
I
K
D
F
L
T
G
S
L
R
N
Q
I
G
L
V
Q
Q
D
N
I
L
F
S
D
T
V
K
E
N
I
L
L
G
--
R
P
-
T
---
A
-
T
D
E
E
V
V
E
A
A
K
M
A
N
A
H
-
D
F
I
M
N
L
P
Q
G
Y
D
T
E
V
G
E
R
G
V
K
L
S
G
G
Q
K
Q
R
L
S
I
A
R
I
F
L
N
N
P
P
I
L
I
L
D
E
A
T
S
A
L
D
L
E
S
E
S
I
I
Q
E
A
L
D
V
L
S
--
K
D
R
T
T
L
I
V
A
H
R
L
S
T
I
T
H
A
D
K
I
V
V
I
E
N
G
H
I
V
E
T
G
T
-
H
R
E
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
57.73
27%
-86
- C1 -
4S0F
2
?
A:
[343-725]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
N
A
K
L
T
S
---
A
L
V
E
S
V
K
G
I
E
T
I
K
S
F
G
A
E
E
Q
T
E
K
S
T
R
D
K
I
E
T
V
M
K
S
S
F
K
E
G
-
M
L
Y
I
N
L
S
-------
S
L
T
----------------
G
I
V
A
G
L
G
G
I
V
I
L
W
A
G
A
Y
N
V
I
K
G
N
M
S
G
G
Q
L
L
A
F
N
A
L
L
A
Y
F
L
T
P
V
K
N
L
I
D
L
Q
P
L
I
Q
T
A
V
V
A
S
N
R
L
G
E
I
L
E
L
A
T
E
K
E
L
R
--
E
---
D
S
D
-------
D
F
V
I
S
L
K
G
---
D
----
I
E
----
F
R
N
V
D
F
R
Y
-
G
-
L
-
R
K
P
V
-
L
K
N
I
N
L
T
I
P
K
G
K
T
V
A
I
V
G
E
S
G
S
G
K
T
T
L
A
K
L
L
M
N
F
Y
S
P
E
----
K
G
D
I
L
I
N
G
H
S
I
K
N
I
S
L
E
L
I
R
K
K
I
A
F
V
S
Q
D
V
F
I
F
S
G
T
V
K
E
N
L
C
L
G
--
N
E
-
N
---
V
-
D
M
D
E
I
I
K
A
A
K
M
A
N
A
H
-
D
F
I
E
K
L
P
L
K
Y
D
T
F
L
N
E
S
G
A
N
L
S
E
G
Q
K
Q
R
L
A
I
A
R
A
L
L
K
K
P
D
I
L
I
L
D
Q
A
T
S
N
L
D
S
I
T
E
N
H
I
K
D
A
I
Y
G
L
E
--
D
D
V
T
V
I
I
I
A
H
R
L
S
T
I
V
N
C
D
K
I
Y
L
L
K
D
G
E
I
V
E
S
G
S
H
T
E
L
I
A
L
K
--
G
C
Y
F
K
M
W
K
Q
T
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
57.21
31%
-99
- C1 -
4AYX
2
ABCBA_HUMAN
A:
[284-573]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
L
M
Y
A
F
W
V
G
I
S
I
G
G
L
S
S
F
Y
S
E
L
M
K
G
L
G
A
G
G
R
L
W
E
L
L
E
R
---
E
P
K
L
--
P
F
N
E
G
V
I
-------
L
N
E
K
S
F
Q
G---
A
----
L
E
----
F
K
N
V
H
F
A
Y
P
A
R
P
-
E
V
P
I
-
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
----
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
W
L
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
E
N
I
A
Y
G
AD
D
P
-
S
---
S
V
T
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
-
A
F
I
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
L
M
--
D
G
R
T
V
L
V
I
A
H
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
-
H
E
E
L
L
S
K
--
P
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
56.18
27%
-94
- C1 -
4RY2
-
?
A:
[343-727]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
N
A
K
L
T
S
---
A
L
V
E
S
V
K
G
I
E
T
I
K
S
F
G
A
E
E
Q
T
E
K
S
T
R
D
K
I
E
T
V
M
K
S
S
F
K
E
G
-
M
L
Y
I
N
L
S
-------
S
L
T
----------------
G
I
V
A
G
L
G
G
I
V
I
L
W
A
G
A
Y
N
V
I
K
G
N
M
S
G
G
Q
L
L
A
F
N
A
L
L
A
Y
F
L
T
P
V
K
N
L
I
D
L
Q
P
L
I
Q
T
A
V
V
A
S
N
R
L
G
E
I
L
E
L
ATE
K
E
L
------------------------G---
D
----
I
E
----
F
R
N
V
D
F
R
Y
-
G
-
L
-
R
K
P
V
-
L
K
N
I
N
L
T
I
P
K
G
K
T
V
A
I
V
G
E
S
G
S
G
K
T
T
L
A
K
L
L
M
N
F
Y
S
P
E
----
K
G
D
I
L
I
N
G
H
S
I
K
N
I
S
L
E
L
I
R
K
K
I
A
F
V
S
Q
D
V
F
I
F
S
G
T
V
K
E
N
L
C
L
G
--
N
E
-
N
---
V
-
D
M
D
E
I
I
K
A
A
K
M
A
N
A
H
-
D
F
I
E
K
L
P
L
K
Y
D
T
F
L
N
E
S
G
A
N
L
S
E
G
Q
K
Q
R
L
A
I
A
R
A
L
L
K
K
P
D
I
L
I
L
D
E
A
T
S
N
L
D
S
I
T
E
N
H
I
K
D
A
I
Y
G
L
E
--
D
D
V
T
V
I
I
I
A
H
R
L
S
T
I
V
N
C
D
K
I
Y
L
L
K
D
G
E
I
V
E
S
G
S
H
T
E
L
I
A
L
K
--
G
C
Y
F
K
M
W
K
Q
T
E
N
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
55.56
31%
-95
- C1 -
3ZDQ
1
ABCBA_HUMAN
A:
[284-572]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
L
M
Y
A
F
W
V
G
I
S
I
G
G
L
S
S
F
Y
S
E
L
M
K
G
L
G
A
G
G
R
L
W
E
L
L
E
R
---
E
P
K
L
--
P
F
N
E
G
V
I
-------
L
N
E
K
S
F
Q
G---
A
----
L
E
----
F
K
N
V
H
F
A
Y
P
A
R
P
-
E
V
P
I
-
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
----
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
W
L
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
E
N
I
A
Y
G
AD
D
P
-
S
---
S
V
T
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
-
A
F
I
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
L
M
--
D
G
R
T
V
L
V
I
A
H
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
-
H
E
E
L
L
S
K
--
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
54.65
31%
-97
- C1 -
4AYT
3
ABCBA_HUMAN
A:
[284-567]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
L
M
Y
A
F
W
V
G
I
S
I
G
G
L
S
S
F
Y
S
E
L
M
K
G
L
G
A
G
G
R
L
W
E
L
L
E
R
---
E
P
K
L
--
P
F
N
E
G
V
I
-------
L
N
E
K
S
F
Q
G---
A
----
L
E
----
F
K
N
V
H
F
A
Y
P
A
R
P
-
E
V
P
I
-
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
----
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
W
L
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
E
N
I
A
Y
G
AD
D
P
-
S
---
S
V
T
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
-
A
F
I
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
L
M
--
D
G
R
T
V
L
V
I
A
H
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
-
H
E
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
53.80
32%
-108
- C1 -
3VX4
3
?
D:
[35-266]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
S
----
F
E
N
L
S
Y
K
Y
G
F
-
G
-
R
-
D
T
-
L
S
D
I
N
L
S
I
K
K
G
S
K
V
S
L
V
G
A
S
G
S
G
K
T
T
L
A
K
L
I
V
N
F
Y
E
P
N
----
K
G
I
V
R
I
N
G
N
D
L
K
V
I
D
K
T
A
L
R
R
H
I
S
Y
L
P
Q
Q
A
Y
V
F
S
G
S
I
M
D
N
L
V
L
G
A-
K
E
-
G
---
T
-
S
Q
E
D
I
I
R
A
C
E
I
A
E
I
R
-
S
D
I
E
Q
M
P
Q
G
Y
Q
T
E
L
S
-
D
G
A
G
I
S
G
G
Q
K
Q
R
I
A
L
A
R
A
L
L
T
Q
A
P
V
L
I
L
D
A
A
T
S
S
L
D
I
L
T
E
K
K
I
I
S
N
L
L
Q
M
T
---
E
K
T
I
I
F
V
A
H
R
L
S
I
S
Q
R
T
D
E
V
I
V
M
D
Q
G
K
I
V
E
Q
G
T
-
H
K
E
L
L
A
K
--
Q
G
F
Y
Y
N
L
F
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
53.65
33%
-93
- C1 -
1MV5
3
LMRA_LACLA
A:
[2-239]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
----
A
R
H
V
D
F
A
Y
D
D
---
S
E
Q
I
-
L
R
D
I
S
F
E
A
Q
P
N
S
I
I
A
F
A
G
P
S
G
G
G
K
S
T
I
F
S
L
L
E
R
F
Y
Q
P
T
----
A
G
E
I
T
I
D
G
Q
P
I
D
N
I
S
L
E
N
W
R
S
Q
I
G
F
V
S
Q
D
S
A
I
M
A
G
T
I
R
E
N
L
T
Y
G
--
L
E
-
G
D--
Y
-
T
D
E
D
L
W
Q
V
L
D
L
A
F
A
R
-
S
F
V
E
N
M
P
D
Q
L
N
T
E
V
G
E
R
G
V
K
I
S
G
G
Q
R
Q
R
L
A
I
A
R
A
F
L
R
N
P
K
I
L
M
L
D
E
A
T
A
S
L
D
S
E
S
E
S
M
V
Q
K
A
L
D
S
L
M
--
K
G
R
T
T
L
V
I
A
H
R
L
S
T
I
V
D
A
D
K
I
Y
F
I
E
K
G
Q
I
T
G
S
G
K
-
H
N
E
L
V
A
T
--
H
P
L
Y
A
K
Y
V
S
E
Q
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
50.20
31%
-105
- C1 -
4PL0
3
MCJD_ECOLX
A:
[344-557]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
L
S
----
I
R
E
L
S
F
S
Y
S
D
-
D
-
K
-
K
I
-
L
N
S
V
S
L
D
L
F
T
G
K
M
Y
S
L
T
G
P
S
G
S
G
K
S
T
L
V
K
I
I
S
G
Y
Y
K
N
Y
----
F
G
D
I
Y
L
N
D
I
S
L
R
N
I
S
D
E
D
L
N
D
A
I
Y
Y
L
T
Q
D
D
Y
I
F
M
D
T
L
R
F
N
L
R
L
A
--
N
Y
-
D
---
A
-
S
E
N
E
I
F
K
V
L
K
L
A
N
L
S
--
V
V
N
N
E
P
V
S
L
D
T
H
L
I
N
R
G
N
N
Y
S
G
G
Q
K
Q
R
I
S
L
A
R
L
F
L
R
K
P
A
I
I
I
I
D
E
A
T
S
A
L
D
Y
I
N
E
S
E
I
L
S
S
I
R
T
H
F
--
P
D
A
L
I
I
N
I
S
H
R
I
N
L
L
E
C
S
D
C
V
Y
V
L
N
E
G
N
I
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
49.82
31%
-103
- C1 -
4PL0
3
MCJD_ECOLX
B:
[344-557]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
L
S
----
I
R
E
L
S
F
S
Y
S
D
-
D
-
K
-
K
I
-
L
N
S
V
S
L
D
L
F
T
G
K
M
Y
S
L
T
G
P
S
G
S
G
K
S
T
L
V
K
I
I
S
G
Y
Y
K
N
Y
----
F
G
D
I
Y
L
N
D
I
S
L
R
N
I
S
D
E
D
L
N
D
A
I
Y
Y
L
T
Q
D
D
Y
I
F
M
D
T
L
R
F
N
L
R
L
A
--
N
Y
-
D
---
A
-
S
E
N
E
I
F
K
V
L
K
L
A
N
L
S
--
V
V
N
N
E
P
V
S
L
D
T
H
L
I
N
R
G
N
N
Y
S
G
G
Q
K
Q
R
I
S
L
A
R
L
F
L
R
K
P
A
I
I
I
I
D
E
A
T
S
A
L
D
Y
I
N
E
S
E
I
L
S
S
I
R
T
H
F
--
P
D
A
L
I
I
N
I
S
H
R
I
N
L
L
E
C
S
D
C
V
Y
V
L
N
E
G
N
I
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
48.86
34%
-102
- C1 -
5DGX
1
?
A:
[5-240]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
--
T
---
G
S
K
-------
E
L
A
K
V
D
G
----
N
----
V
T
----
I
K
D
L
S
F
A
F
---
G
-
E
H
K
V
-
L
S
G
V
S
V
D
I
K
A
G
Q
T
V
A
F
V
G
K
S
G
S
G
K
T
T
L
T
S
I
I
S
R
F
Y
T
Q
H
----
E
G
E
I
L
L
D
G
V
D
T
R
E
L
T
L
E
N
L
R
S
H
L
S
I
V
S
Q
N
V
H
L
F
D
D
T
V
Y
N
N
I
A
F
G
-----
E
---
V
-
S
E
E
E
V
I
D
A
L
K
R
A
N
A
Y
-
E
F
V
Q
E
L
S
D
G
I
N
T
N
I
G
N
N
G
S
K
L
S
G
G
Q
R
Q
R
I
S
I
A
R
A
L
L
K
N
A
P
V
L
I
F
D
E
----------------
L
E
S
L
T
--
K
S
C
T
T
I
V
I
A
H
R
L
S
T
V
E
N
A
D
K
I
V
V
M
D
G
G
R
V
V
E
S
G
K
-
H
Q
E
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------