@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : PA4217: (2016-02-24 )
MSEPIDILIAGAGIGGLSCALALHQAGIGKVTLLESSSEIRPLGVGINIQPAAVEALAELGLGPALAATAIPTHELRYIDQSGATVWSEPRGVEAGNAYPQYSIHRGELQMILLAAVRERLGQQAVRTGLGVERIEERDGRVLIGARDGHGKPQALGADVLVGADGIHSAVRAHLHPDQRPLSHGGITMWRGVTEFDRFLDGKTMIVANDEHWSRLVAYPISARHAAEGKSLVNWVCMVPSAAVGQLDNEADWNRDGRLEDVLPFFADWDLGWFDIRDLLTRNQLILQYPMVDRDPLPHWGRGRITLLGDAAHLMYPMGANGASQAILDGIELAAALARNADVAAALREYEEARRPTANKIILANREREKEEWAAASRPKTEKSAALEAITGSYRNQVERPR
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSEP
I
D
-
I
L
I
AGAGI
G
G
L
S
C
A
L
A
L
H
QAGI-
G
K
V
T
L
LESSSEI-
R
P
L
G
V
GINI
Q
P
A
A
V
E
A
L
A
ELG-LGP
A
L
A
--
A
TAIP-T-H
E
L
R
Y
ID-Q-SG--ATVWSEPRGV--EAGNAYPQY-SI
H
R
G
E
L
Q
M
I
L
L
A
A
V
R
E
R
L
G
Q
----
Q
A
V
R
TGL
G
V
E
R
I
E
-ERD-G
R
V
L
I
G
ARDGHGKPQALGA
D
V
L
VG
A
D
G
I
H
S
A
V
R
A
---HLH-PDQ------------------RPLSHG----
G
I
---
T
MWR
G
V
T
E
--------
F
D
R
-F-L---D-------G
K
---
T
M
I
V
AN
D
-
E
H
W
S
R
L
VA--YPISARHAAE
G
-
K
S
L
-
V
N
W
V
C
MVP
S
A
A
V-GQLDN-EADWNR-------DG
R
L
-----------
E
D
V
L
P
F
FADWD---
L
G
W
-
F
D
I
R
D
L
L
T---RN
Q
L
I
--
L
--QYPMVDR--DPLPHWGR
G
R
I
T
L
LGDA
A
H
LMYPMGAN
G
A
S
Q
A
I
L
D
G
I
E
L
A
A
A
L
ARN
A
D
----
V
A
A
A
L
R
E
Y
E
E
ARRPTA
N
K
I
I
L
ANRE
R
E
K
E
E
W
AAASRPK
T
E
K
S
A
A
L
E
A
I
-
T
G
S
Y
R
NQVERPR
1
PsiBlast_PDB
97.44
100%
-117
- C1 -
3C96
1
?
A:
[4-402]
---
P
I
D
-
I
L
I
A
G
A
G
I
G
G
L
S
C
A
L
A
L
H
Q
A
G
I
-
G
K
V
T
L
L
E
S
S
S
E
I
-
R
P
L
G
V
G
I
N
I
Q
P
A
A
V
E
A
L
A
E
L
G
-
L
G
P
A
L
A
--
A
T
A
I
P
-
T
-
H
E
L
R
Y
I
D
-
Q
-
S
G
--
A
T
V
W
S
E
P
R
G
V
--
E
A
G
N
A
Y
P
Q
Y
-
S
I
H
R
G
E
L
Q
M
I
L
L
A
A
V
R
E
R
L
G
Q
----
Q
A
V
R
T
G
L
G
V
E
R
I
E
-
E
R
D
-
G
R
V
L
I
G
A
R
D
G
H
G
K
P
Q
A
L
G
A
D
V
L
V
G
A
D
G
I
H
S
A
V
R
A
---
H
L
H
-
P
D
Q
------------------
R
P
L
S
H
G
----
G
I
---
T
M
W
R
G
V
T
E
--------
F
D
R
-
F
-
L
---
D
-------
G
K
---
T
M
I
V
A
N
D
-
E
H
W
S
R
L
V
A
--
Y
P
I
S
A
R
H
A
A
E
G
-
K
S
L
-
V
N
W
V
C
M
V
P
S
A
A
V
-
G
Q
L
D
N
-
E
A
D
W
N
R
-------
D
G
R
L
-----------
E
D
V
L
P
F
F
A
D
W
D
---
L
G
W
-
F
D
I
R
D
L
L
T
---
R
N
Q
L
I
--
L
--
Q
Y
P
M
V
D
R
--
D
P
L
P
H
W
G
R
G
R
I
T
L
L
G
D
A
A
H
L
M
Y
P
M
G
A
N
G
A
S
Q
A
I
L
D
G
I
E
L
A
A
A
L
A
R
N
A
D
----
V
A
A
A
L
R
E
Y
E
E
A
R
R
P
T
A
N
K
I
I
L
A
N
R
E
R
E
K
E
E
W
A
A
A
S
R
P
--------------------
E
R
P
R
124
Fugue
96.92
98%
-115
- C1 -
3C96
1
?
A:
[4-403]
---
P
I
D
-
I
L
I
A
G
A
G
I
G
G
L
S
C
A
L
A
L
H
Q
A
G
I
-
G
K
V
T
L
L
E
S
S
S
E
I
-
R
P
L
G
V
G
I
N
I
Q
P
A
A
V
E
A
L
A
E
L
G
-
L
G
P
A
L
A
--
A
T
A
I
P
-
T
-
H
E
L
R
Y
I
D
-
Q
-
S
G
--
A
T
V
W
S
E
P
R
G
V
--
E
A
G
N
A
Y
P
Q
Y
-
S
I
H
R
G
E
L
Q
M
I
L
L
A
A
V
R
E
R
L
G
Q
----
Q
A
V
R
T
G
L
G
V
E
R
I
E
-
E
R
D
-
G
R
V
L
I
G
A
R
D
G
H
G
K
P
Q
A
L
G
A
D
V
L
V
G
A
D
G
I
H
S
A
V
R
A
---
H
L
H
-
P
D
Q
------------------
R
P
L
S
H
G
----
G
I
---
T
M
W
R
G
V
T
E
--------
F
D
R
-
F
-
L
---
D
-------
G
K
---
T
M
I
V
A
N
D
-
E
H
W
S
R
L
V
A
--
Y
P
I
S
A
R
H
A
A
E
G
-
K
S
L
-
V
N
W
V
C
M
V
P
S
A
A
V
-
G
Q
L
D
N
-
E
A
D
W
N
R
-------
D
G
R
L
-----------
E
D
V
L
P
F
F
A
D
W
D
---
L
G
W
-
F
D
I
R
D
L
L
T
---
R
N
Q
L
I
--
L
--
Q
Y
P
M
V
D
R
--
D
P
L
P
H
W
G
R
G
R
I
T
L
L
G
D
A
A
H
L
M
Y
P
M
G
A
N
G
A
S
Q
A
I
L
D
G
I
E
L
A
A
A
L
A
R
N
A
D
----
V
A
A
A
L
R
E
Y
E
E
A
R
R
P
T
A
N
K
I
I
L
A
N
R
E
R
E
K
E
E
W
A
A
A
S
R
P
E
R
P
R
L
-------------------
2
PsiBlast_PDB
95.87
98%
-118
- C1 -
2RGJ
1
?
A:
[4-379]
---
P
I
D
-
I
L
I
A
G
A
G
I
G
G
L
S
C
A
L
A
L
H
Q
A
G
I
-
G
K
V
T
L
L
E
S
S
S
E
I
-
R
P
L
G
V
G
I
N
I
Q
P
A
A
V
E
A
L
A
E
L
G
-
L
G
P
A
L
A
--
A
T
A
I
P
-
T
-
H
E
L
R
Y
I
D
-
Q
-
S
G
--
A
T
V
W
S
E
P
R
G
V
--
E
A
G
N
A
Y
P
Q
Y
-
S
I
H
R
G
E
L
Q
M
I
L
L
A
A
V
R
E
R
L
G
Q
----
Q
A
V
R
T
G
L
G
V
E
R
I
E
-
E
R
D
-
G
R
V
L
I
G
A
R
D
G
H
G
K
P
Q
A
L
G
A
D
V
L
V
G
A
D
G
I
H
S
A
V
R
A
---
H
L
H
-
P
D
Q
------------------
R
P
L
S
H
G
----
G
I
---
T
M
W
R
G
V
T
E
--------
F
D
R
-
F
-
L
---
D
-------
G
K
---
T
M
I
V
A
N
D
-
E
H
W
S
R
L
V
A
--
Y
P
I
S
A
R
H
A
A
E
G
-
K
S
L
-
V
N
W
V
C
M
V
P
S
A
A
V
-
G
Q
L
D
N
-
E
A
D
W
N
R
-------
D
G
R
L
-----------
E
D
V
L
P
F
F
A
D
W
D
---
L
G
W
-
F
D
I
R
D
L
L
T
---
R
N
Q
L
I
--
L
--
Q
Y
P
M
V
D
R
--
D
P
L
P
H
W
G
R
G
R
I
T
L
L
G
D
A
A
H
L
M
Y
P
M
G
A
N
G
A
S
Q
A
I
L
D
G
I
E
L
A
A
A
L
A
R
N
A
D
----
V
A
A
A
L
R
E
Y
E
E
A
R
R
P
T
A
N
K
I
I
L
A
N
R
E
R
E
K
E
E
W
A
A
A
S
R
P
------------------------
101
HHSearch
91.87
93%
-111
- C1 -
3C96
1
?
A:
[4-402]
---
P
I
D
-
I
L
I
A
G
A
G
I
G
G
L
S
C
A
L
A
L
H
Q
A
G
I
G
K
V
T
L
L
E
-
S
S
S
E
I
-
R
P
L
G
V
G
I
N
I
Q
P
A
A
V
E
A
L
A
E
L
G
-
L
G
P
A
L
A
--
A
T
A
I
P
-
T
-
H
E
L
R
Y
I
D
-
Q
-
S
G
--
A
T
V
W
S
E
P
R
G
V
--
E
A
G
--
N
--
A
-
Y
P
Q
Y
S
I
H
R
G
E
L
Q
M
I
L
L
A
A
V
R
E
R
LGQ
Q
A
V
R
T
G
L
G
V
E
R
I
E
-
E
R
D
-
G
R
V
L
I
G
A
R
D
G
H
G
K
P
Q
A
L
G
A
D
V
L
V
G
A
D
G
I
H
S
A
V
R
A
---
H
L
H
-
P
D
Q
------------------
R
P
L
S
H
G
----
G
I
---
T
M
W
R
G
V
T
E
--------
F
D
R
-
F
-
L
---
D
-------
G
K
---
T
M
I
V
A
N
D
-
E
H
W
S
R
L
V
A
--
Y
P
I
S
A
R
H
A
A
E
G
-
K
S
L
-
V
N
W
V
C
M
V
P
S
A
A
V
-
G
Q
L
D
N
-
E
A
D
W
N
R
-------
D
G
R
L
-----------
E
D
V
L
P
F
F
A
D
W
D
---
L
G
W
-
F
D
I
R
D
L
L
T
---
R
N
Q
L
I
--
L
--
Q
Y
P
M
V
D
R
--
D
P
L
P
H
W
G
R
G
R
I
T
L
L
G
D
A
A
H
L
M
Y
P
M
G
A
N
G
A
S
Q
A
I
L
D
G
I
E
L
A
A
A
L
A
R
N
A
D
----
V
A
A
A
L
R
E
Y
E
E
A
R
R
P
T
A
N
K
I
I
L
A
N
R
E
R
E
K
E
E
W
A
A
A
S
R
P
--------------------
E
R
P
R
102
HHSearch
61.28
28%
-92
- C1 -
3RP8
2
HPXO_KLEP7
A:
[23-372]
---
H
M
K
-
A
I
V
I
G
A
G
I
G
G
L
S
A
A
V
A
L
K
Q
S
G
I
-
D
C
D
V
Y
E
-
A
V
K
E
I
-----
A
A
I
S
V
W
P
N
G
V
K
C
M
A
H
L
G
-
M
G
D
I
M
E
--
T
F
G
G
P
-
L
-
R
R
M
A
Y
R
D
-
F
R
S
G
--
E
N
M
T
Q
F
S
L
A
P
--
L
-
I
E
R
T
--
G
-
S
R
P
C
P
V
S
R
A
E
L
Q
R
E
M
L
D
Y
W
G
R
----
D
S
V
Q
F
G
K
R
V
T
R
C
E
-
E
D
A
-
D
G
V
T
V
W
F
T
D
G
S
----
S
A
S
G
D
L
L
I
A
A
D
G
S
H
S
A
L
R
P
---
W
V
L
-
G
F
T
------------------
P
Q
R
R
Y
A
----
G
Y
---
V
N
W
N
G
L
V
E
--------
I
D
E
A
L
A
P
---
G
-------
D
Q
---
W
T
T
F
V
G
E
-
G
--
K
Q
V
S
L
--
M
P
V
S
--------
A
G
R
-
F
Y
F
F
F
D
V
P
L
P
A
G
-
L
A
--
E
-
D
--
R
D
---------
T
L
R
-----------
A
D
L
S
R
Y
F
A
G
W
A
---
P
P
V
-
Q
K
L
I
A
A
L
D
---
P
-
Q
T
T
--
N
--
R
I
E
I
H
D
I
--
E
P
F
S
R
L
V
R
G
R
V
A
L
L
G
D
A
G
H
S
T
T
P
D
I
G
Q
G
G
C
A
A
M
E
D
A
V
V
L
G
A
V
F
R
Q
T
R
D
----
I
A
A
A
L
R
E
Y
E
A
Q
R
C
D
R
V
R
D
L
V
L
K
A
R
K
R
C
D
I
-
T
H
G
----------------------------
3
PsiBlast_PDB
60.09
30%
-86
- C1 -
3RP8
2
HPXO_KLEP7
A:
[27-366]
--------
I
V
I
G
A
G
I
G
G
L
S
A
A
V
A
L
K
Q
S
G
I
--
D
C
D
V
Y
E
A
V
K
E
I
-----
A
A
I
S
V
W
P
N
G
V
K
C
M
A
H
L
G
-
M
G
D
I
M
E
--
T
F
G
G
P
-
L
-
R
R
M
A
Y
R
D
F
R
-
S
G
EN
M
T
Q
F
S
L
A
P
L
I
--
E
R
T
G
S
R
P
-
C
-
P
V
S
R
A
E
L
Q
R
E
M
L
----
D
Y
W
G
R
----
D
S
V
Q
F
G
K
R
V
T
R
C
E
-
E
D
A
-
D
G
V
T
V
W
F
T
D
G
----
S
S
A
S
G
D
L
L
I
A
A
D
G
S
H
S
A
L
R
P
W
V
L
G
F
T
-
P
Q
R
------------------
R
---
Y
A
----
G
Y
---
V
N
W
N
G
L
V
E
--------
I
D
E
-
A
-
L
--------------------
A
P
G
-
D
Q
W
T
T
F
V
G
EG
K
Q
V
S
L
M
P
V
S
A
G
-
R
F
Y
-
F
F
F
D
V
P
L
P
A
G
L
A
-
E
---------
D
R
-------
D
T
L
R
-----------
A
D
L
S
R
Y
F
A
G
W
A
P
P
V
Q
K
L
-
I
A
A
L
D
P
Q
T
---
T
N
R
I
E
--
I
--
H
----
D
I
--
E
P
F
S
R
L
V
R
G
R
V
A
L
L
G
D
A
G
H
S
T
T
P
D
I
G
Q
G
G
C
A
A
M
E
D
A
V
V
L
G
A
V
F
R
Q
T
R
D
----
I
A
A
A
L
R
E
Y
E
A
Q
R
C
D
R
V
R
D
L
V
L
K
A
R
K
R
-----------------------------------
5
PsiBlast_PDB
59.95
30%
-92
- C1 -
3RP7
2
HPXO_KLEP7
A:
[27-366]
--------
I
V
I
G
A
G
I
G
G
L
S
A
A
V
A
L
K
Q
S
G
I
--
D
C
D
V
Y
E
A
V
K
E
I
-
K
---
A
A
I
S
V
W
P
N
G
V
K
C
M
A
H
L
G
-
M
G
D
I
M
E
--
T
F
G
G
P
-
L
-
R
R
M
A
Y
R
D
F
R
-
S
G
EN
M
T
Q
F
S
L
A
P
L
I
--
E
R
T
G
S
R
P
-
C
-
P
V
S
R
A
E
L
Q
R
E
M
L
----
D
Y
W
G
R
----
D
S
V
Q
F
G
K
R
V
T
R
C
E
-
E
D
A
-
D
G
V
T
V
W
F
T
D
G
----
S
S
A
S
G
D
L
L
I
A
A
D
G
S
H
S
A
L
R
P
W
V
L
G
F
T
-
P
Q
R
------------------
R
---
Y
A
----
G
Y
---
V
N
W
N
G
L
V
E
--------
I
D
E
-
A
-
L
APG
D
-------
Q
W
---
T
T
F
V
G
E
G
-
K
---
R
V
S
L
--
M
P
V
S
A
-----
G
-
R
F
Y
-
F
F
F
D
V
P
L
P
A
G
L
A
-
E
---------
D
R
-------
D
T
L
R
-----------
A
D
L
S
R
Y
F
A
G
W
A
P
P
V
Q
K
L
-
I
A
A
L
D
P
Q
T
---
T
N
R
I
E
--
I
--
H
----
D
I
--
E
P
F
S
R
L
V
R
G
R
V
A
L
L
G
D
A
G
H
S
T
T
P
D
I
G
Q
G
G
C
A
A
M
E
D
A
V
V
L
G
A
V
F
R
Q
T
R
D
----
I
A
A
A
L
R
E
Y
E
A
Q
R
C
D
R
V
R
D
L
V
L
K
A
R
K
R
-----------------------------------
4
PsiBlast_PDB
59.74
30%
-89
- C1 -
3RP6
1
HPXO_KLEP7
A:
[27-366]
--------
I
V
I
G
A
G
I
G
G
L
S
A
A
V
A
L
K
Q
S
G
I
--
D
C
D
V
Y
E
A
V
K
E
I
-
K
---
A
A
I
S
V
W
P
N
G
V
K
C
M
A
H
L
G
-
M
G
D
I
M
E
--
T
F
G
G
P
-
L
-
R
R
M
A
Y
R
D
F
R
-
S
G
EN
M
T
Q
F
S
L
A
P
L
I
--
E
R
T
G
S
R
P
-
C
-
P
V
S
R
A
E
L
Q
R
E
M
L
----
D
Y
W
G
R
----
D
S
V
Q
F
G
K
R
V
T
R
C
E
-
E
D
A
-
D
G
V
T
V
W
F
T
D
G
----
S
S
A
S
G
D
L
L
I
A
A
D
G
S
H
S
A
L
R
P
W
V
L
G
F
T
-
P
Q
R
------------------
R
---
Y
A
----
G
Y
---
V
N
W
N
G
L
V
E
--------
I
D
E
-
A
-
L
APG
D
-------
Q
W
---
T
T
F
V
G
E
G
-
K
---
R
V
S
L
--
M
P
V
S
A
-----
G
-
R
F
Y
-
F
F
F
D
V
P
L
P
A
G
L
A
-
E
---------
D
R
-------
D
T
L
R
-----------
A
D
L
S
R
Y
F
A
G
W
A
P
P
V
Q
K
L
-
I
A
A
L
D
P
Q
T
---
T
N
R
I
E
--
I
--
H
----
D
I
--
E
P
F
S
R
L
V
R
G
R
V
A
L
L
G
D
A
G
H
S
T
T
P
D
I
G
Q
G
G
C
A
A
M
E
D
A
V
V
L
G
A
V
F
R
Q
T
R
D
----
I
A
A
A
L
R
E
Y
E
A
Q
R
C
D
R
V
R
D
L
V
L
K
A
R
K
R
-----------------------------------
11
PsiBlast_PDB
58.88
27%
-81
- C1 -
2VOU
3
DHPH_ARTNI
A:
[2-347]
-
S
P
T
T
D
R
I
A
V
V
G
G
S
I
S
G
L
T
A
A
L
M
L
R
D
A
G
V
-
D
V
D
V
Y
E
R
S
P
Q
P
L
-
S
G
F
G
T
G
I
V
V
Q
P
E
L
V
H
Y
L
L
E
Q
G
-
V
--
E
L
D
--
S
I
S
V
P
-
S
-
S
S
M
E
Y
V
D
-
A
L
T
G
--
E
R
V
G
S
V
P
------
A
D
W
R
F
T
S
Y
D
S
I
Y
G
G
---------
L
Y
E
L
F
G
P
----
E
R
Y
H
T
S
K
C
L
V
G
L
S
-
Q
D
S
-
E
T
V
Q
M
R
F
S
D
G
----
T
K
A
E
A
N
W
V
I
G
A
D
G
G
A
S
V
V
R
K
---
R
L
L
-
G
I
E
------------------
P
--
T
Y
A
----
G
Y
---
V
T
W
R
G
V
L
Q
PGEVA
D
D
V
W
N
Y
-
F
-
N
---
D
-------
K
F
---
T
Y
G
L
L
D
D
-
G
H
---
L
I
A
--
Y
P
I
P
G
R
E
N
A
E
S
-
P
R
L
N
F
Q
W
Y
W
N
V
A
E
G
P
---
D
L
D
E
-
L
M
T
D
V
R
-------
G
I
R
L
PTSVHNNSLN
P
H
N
L
R
Q
F
H
S
K
G
E
---
S
L
F
-
K
P
F
R
D
L
V
L
---
N
A
S
S
P
--
F
--
V
T
V
V
A
D
A
T
V
D
R
M
V
H
---
G
R
V
L
L
I
G
D
A
A
V
T
P
R
P
H
A
A
A
G
G
A
K
A
S
D
D
A
R
T
L
A
E
V
F
T
K
N
H
D
----
L
R
G
S
L
Q
S
W
E
----------------------------------------------------
109
HHSearch
57.60
24%
-74
- C1 -
2VOU
3
DHPH_ARTNI
A:
[2-367]
S
P
T
T
D
R
-
I
A
V
V
G
G
S
I
S
G
L
T
A
A
L
M
L
R
D
A
G
V
-
D
V
D
V
Y
E
-
R
S
P
Q
P
L
S
G
F
G
T
G
I
V
V
Q
P
E
L
V
H
Y
L
L
E
Q
G
-
V
E
L
D
S
----
I
S
V
P
-
S
-
S
S
M
E
Y
V
D
-
A
L
T
G
--
E
R
V
G
S
V
P
A
D
---------------
W
R
F
T
S
Y
D
S
I
Y
G
G
L
Y
E
L
F
G
P
----
E
R
Y
H
T
S
K
C
L
V
G
L
S
-
Q
D
S
-
E
T
V
Q
M
R
F
S
D
G
T
----
K
A
E
A
N
W
V
I
G
A
D
G
G
A
S
V
V
R
K
---
R
L
L
-
G
I
-------------------
E
-
P
T
Y
A
----
G
Y
---
V
T
W
R
G
V
L
Q
--------
P
G
E
-
V
-
A
---
D
D
V
W
N
Y
F
N
D
K
---
F
T
Y
G
L
L
D
-
D
--
G
H
L
I
A
--
Y
P
I
P
G
R
E
N
A
E
S
P
R
L
N
-
F
Q
W
Y
W
N
V
A
E
G
P
D
L
D
E
L
M
T
D
V
R
G
I
R
L
PTSVHNN
S
L
N
P
-----------
H
N
L
R
Q
F
H
S
K
-
G
---
E
S
L
F
K
P
F
R
D
L
V
L
---
N
A
S
S
P
--
F
--
V
T
V
V
-
A
D
--
A
T
V
D
R
M
V
H
G
R
V
L
L
I
G
D
A
A
V
T
P
R
P
H
A
A
A
G
G
A
K
A
S
D
D
A
R
T
L
A
E
V
F
T
K
N
H
D
----
L
R
G
S
L
Q
S
W
E
T
R
Q
L
Q
Q
G
H
A
Y
L
N
K
V
K
K
M
A
S
R
--------------------------------
115
HHSearch
56.97
17%
-79
- C1 -
3I3L
1
?
A:
[20-395]
H
M
T
R
S
K
-
V
A
I
I
G
G
G
P
A
G
S
V
A
G
L
T
L
H
K
L
G
H
-
D
V
T
I
Y
E
-
R
S
A
F
P
-
R
-
Y
R
V
G
E
S
L
L
P
G
T
M
S
I
L
N
R
L
G
-
L
Q
E
K
I
D
--
A
Q
N
Y
V
-
K
K
P
S
A
T
F
L
W
-
G
-
Q
D
--
Q
A
P
W
T
F
S
F
A
A
--
P
--
A
P
W
-
V
F
-
D
H
A
V
Q
V
K
R
E
E
F
D
K
L
L
L
D
E
A
R
S
R
G--
I
T
V
H
E
E
T
P
V
T
D
V
D
-
L
S
D
P
D
R
V
V
L
T
V
R
R
G
-
G
E
S
V
T
V
E
S
D
F
V
I
D
A
G
G
S
G
G
P
I
S
R
---
K
L
G
-
V
R
Q
------------------
Y
D
E
F
Y
R
----
N
F
---
A
V
W
S
Y
F
K
L
--------
K
D
P
-
F
-
E
GDL
K
-------
G
T
---
T
Y
S
I
T
F
E
-
D
--
G
W
V
W
M
--
I
P
I
K
D
--------
D
L
-
Y
S
V
G
L
V
V
D
R
S
K
S
-
A
E
-------
V
R
E
-------
Q
-
G
A
-----------
D
A
---
F
Y
S
S
T
L
---
A
K
C
-
A
K
A
M
D
I
L
G
GAE
Q
V
D
E
V
--
R
--
I
V
Q
D
W
S
Y
---
D
T
E
V
F
S
A
D
R
F
F
L
C
G
D
A
A
C
F
T
D
P
L
F
S
Q
G
V
H
L
A
S
Q
S
A
V
S
A
A
A
A
I
D
R
I
T
R
H
GDE
K
D
A
V
H
A
W
Y
N
R
T
Y
R
E
A
Y
E
Q
Y
H
Q
F
L
A
S
F
Y
T
F
--------------------------------
133
Fugue
56.87
26%
-74
- C1 -
4H2Q
7
?
A:
[10-379]
--
K
T
R
R
-
A
E
V
A
G
G
G
F
A
G
L
T
A
A
I
A
L
K
Q
N
G
W
--
D
V
R
L
H
E
K
S
S
E
L
-
R
A
F
G
A
G
I
Y
L
W
H
N
G
L
R
V
L
E
G
L
G
-
A
L
D
D
V
L
QG
S
H
T
P
P
-
T
-
Y
E
T
W
M
------------
H
N
K
S
V
S
K
--
E
T
F
N
G
L
P
W
R
-
I
M
T
R
S
H
L
H
D
A
L
V
N
R
A
R
A
L
--
G
----
V
D
I
S
V
N
S
E
A
V
A
A
D
-
P
V
--
G
R
L
T
L
--
Q
T
G
----
E
V
L
E
A
D
L
I
V
G
A
D
G
V
G
S
K
V
R
D
---
S
I
G
-
F
K
Q
D
-----------------
R
W
V
S
K
D
----
G
L
---
I
R
L
I
V
P
R
M
--------
K
K
E
-
L
-
G
---
H
-------
G
E
WDN
T
I
D
M
W
N
F
W
P
R
V
Q
R
I
L
Y
--
S
P
C
N
--------
E
N
E
-
L
Y
L
G
L
M
A
P
A
A
----------------------
D
P
R
G
-----------
S
S
V
P
I
D
L
E
V
W
V
---
E
M
F
-
P
F
L
E
P
C
L
I
---
E
A
A
K
L
KT
A
--
R
Y
D
K
Y
E
T
--
T
K
L
D
S
W
T
R
G
K
V
A
L
V
G
D
A
A
H
A
M
C
P
A
L
A
Q
G
A
G
C
A
M
V
N
A
F
S
L
S
Q
D
L
E
E
G
S
S
----
V
E
D
A
L
V
A
W
E
T
R
I
R
P
I
T
D
R
C
Q
A
L
S
G
D
Y
A
A
N
R
--
S
L
S
K
G
N
M
F
T
P
A
A
L
E
A
A
R
Y
D
P
L
R
R
V
Y
S
W
P
Q
130
Fugue
56.32
26%
-71
- C1 -
4JY3
7
?
A:
[10-379]
--
K
T
R
R
-
A
E
V
A
G
G
G
F
A
G
L
T
A
A
I
A
L
K
Q
N
G
W
--
D
V
R
L
H
E
K
S
S
E
L
-
R
A
F
G
A
G
I
Y
L
W
H
N
G
L
R
V
L
E
G
L
G
-
A
L
D
D
V
L
QG
S
H
T
P
P
-
T
-
Y
E
T
W
M
------------
H
N
K
S
V
S
K
--
E
T
F
N
G
L
P
W
R
-
I
M
T
R
S
H
L
H
D
A
L
V
N
R
A
R
A
L
--
G
----
V
D
I
S
V
N
S
E
A
V
A
A
D
-
P
V
--
G
R
L
T
L
--
Q
T
G
----
E
V
L
E
A
D
L
I
V
G
A
D
G
V
G
S
K
V
R
D
---
S
I
G
F
K
Q
D
------------------
R
W
V
S
K
D
----
G
L
---
I
R
L
I
V
P
R
M
--------
K
K
E
-
L
-
G
---
H
-------
G
E
WDN
T
I
D
M
W
N
F
W
P
R
V
Q
R
I
L
Y
--
S
P
C
N
--------
E
N
E
-
L
Y
L
G
L
M
A
P
A
A
----------------------
D
P
R
G
-----------
S
S
V
P
I
D
L
E
V
W
V
---
E
M
F
-
P
F
L
E
P
C
L
I
---
E
A
A
K
L
--
K
TA
R
Y
D
K
Y
E
T
--
T
K
L
D
S
W
T
R
G
K
V
A
L
V
G
D
A
A
H
A
M
C
P
A
L
A
Q
G
A
G
C
A
M
V
N
A
F
S
L
S
Q
D
L
E
E
G
S
S
----
V
E
D
A
L
V
A
W
E
T
R
I
R
P
I
T
D
R
C
Q
A
L
S
G
D
Y
A
A
N
R
--
S
L
S
K
G
N
M
F
T
P
A
A
L
E
A
A
R
Y
D
P
L
R
R
V
Y
S
W
P
Q
13
PsiBlast_PDB
55.72
26%
-92
- C1 -
4GF7
7
?
A:
[16-339]
---------
V
A
G
G
G
F
A
G
L
T
A
A
I
A
L
K
Q
N
G
W
--
D
V
R
L
H
E
K
S
S
E
L
-
R
A
F
G
A
G
I
Y
L
W
H
N
G
L
R
V
L
E
G
L
G
A
L
D
D
V
L
Q
--
G
S
H
T
P
P
T
-
Y
E
--------------
T
W
M
H
N
K
S
V
SK
E
T
F
N
G
L
P
W
R
-
I
M
T
R
S
H
L
H
D
A
L
V
N
R
A
R
A
-
L
G
-------
V
D
I
S
V
N
S
E
A
V
A
A
D
P
V
-
G
R
L
T
L
Q
T
------
G
E
V
L
E
A
D
L
I
V
G
A
D
G
V
G
S
K
V
R
D
---
S
I
G
-
F
K
Q
D
R
W
V
S
K
D
G
L
I
R
L
I
V
P
RMK
K
E
L
G
H
G
EWDN
T
I
---
D
M
W
N
F
W
P
R
--------
V
Q
R
-
I
-
L
---
Y
-------
S
P
------
C
N
E
N
-
E
L
Y
L
G
L
M
A
--
P
A
A
D
P
R
G
S
S
V
P
-
I
D
L
-
E
V
W
V
E
M
F
P
F
--------------------------
L
-----------
E
P
C
L
--------------
I
E
A
A
K
L
K
T
----------
A
--
R
Y
D
K
Y
E
T
--
T
K
L
D
S
W
T
R
G
K
V
A
L
V
G
D
A
A
H
A
M
C
P
A
L
A
Q
G
A
G
C
A
M
V
N
A
F
S
L
S
Q
D
L
E
E
G
S
S
----
V
E
D
A
L
V
A
W
E
T
R
I
R
P
I
T
D
R
C
------------------------------------------
12
PsiBlast_PDB
55.61
26%
-89
- C1 -
3ALJ
9
?
A:
[16-339]
---------
V
A
G
G
G
F
A
G
L
T
A
A
I
A
L
K
Q
N
G
W
--
D
V
R
L
H
E
K
S
S
E
L
-
R
A
F
G
A
G
I
Y
L
W
H
N
G
L
R
V
L
E
G
L
G
A
L
D
D
V
L
Q
--
G
S
H
T
P
P
T
-
Y
E
--------------
T
W
M
H
N
K
S
V
SK
E
T
F
N
G
L
P
W
R
-
I
M
T
R
S
H
L
H
D
A
L
V
N
R
A
R
A
-
L
G
-------
V
D
I
S
V
N
S
E
A
V
A
A
D
P
V
-
G
R
L
T
L
Q
T
------
G
E
V
L
E
A
D
L
I
V
G
A
D
G
V
G
S
K
V
R
D
---
S
I
G
-
F
K
Q
D
R
W
V
S
K
D
G
L
I
R
L
I
V
P
RMK
K
E
L
G
H
G
EWDN
T
I
---
D
M
W
N
F
W
P
R
--------
V
Q
R
-
I
-
L
---
Y
-------
S
P
------
C
N
E
N
-
E
L
Y
L
G
L
M
A
--
P
A
A
D
P
R
G
S
S
V
P
-
I
D
L
-
E
V
W
V
E
M
F
P
F
--------------------------
L
-----------
E
P
C
L
--------------
I
E
A
A
K
L
K
T
----------
A
--
R
Y
D
K
Y
E
T
--
T
K
L
D
S
W
T
R
G
K
V
A
L
V
G
D
A
A
H
A
M
C
P
A
L
A
Q
G
A
G
C
A
M
V
N
A
F
S
L
S
Q
D
L
E
E
G
S
S
----
V
E
D
A
L
V
A
W
E
T
R
I
R
P
I
T
D
R
C
------------------------------------------
132
Fugue
55.37
27%
-73
- C1 -
4GF7
8
?
A:
[10-379]
--
K
T
R
R
-
A
E
V
A
G
G
G
F
A
G
L
T
A
A
I
A
L
K
Q
N
G
W
--
D
V
R
L
H
E
K
S
S
E
L
-
R
A
F
G
A
G
I
Y
L
W
H
N
G
L
R
V
L
E
G
L
G
-
A
L
D
D
V
L
QG
S
H
T
P
P
-
T
-
Y
E
T
W
M
------------
H
N
K
S
V
S
K
--
E
T
F
N
G
L
P
W
R
-
I
M
T
R
S
H
L
H
D
A
L
V
N
R
A
R
A
L
--
G
----
V
D
I
S
V
N
S
E
A
V
A
A
D
-
P
V
--
G
R
L
T
L
--
Q
T
G
----
E
V
L
E
A
D
L
I
V
G
A
D
G
V
G
S
K
V
R
D
---
S
I
G
F
K
Q
D
------------------
R
W
V
S
K
D
----
G
L
I
R
L
I
V
P
R
M
K
K
E
--------
L
G
H
-
G
-
E
---
W
-------
D
N
---
T
I
D
M
W
N
---
F
W
P
R
V
Q
R
--
I
L
Y
S
P
C
----
N
-
E
N
E
-
L
Y
L
G
L
M
A
P
A
A
----------------------
D
P
R
G
-----------
S
S
V
P
I
D
L
E
V
W
V
---
E
M
F
-
P
F
L
E
P
C
L
I
---
E
A
A
K
L
KT
A
--
R
Y
D
K
Y
E
T
--
T
K
L
D
S
W
T
R
G
K
V
A
L
V
G
D
A
A
H
A
M
C
P
A
L
A
Q
G
A
G
C
A
M
V
N
A
F
S
L
S
Q
D
L
E
E
G
S
S
----
V
E
D
A
L
V
A
W
E
T
R
I
R
P
I
T
D
R
C
Q
A
L
S
G
D
Y
A
A
N
R
--
S
L
S
K
G
N
M
F
T
P
A
A
L
E
A
A
R
Y
D
P
L
R
R
V
Y
S
W
P
Q
15
PsiBlast_PDB
55.14
26%
-91
- C1 -
4H2Q
6
?
A:
[16-339]
---------
V
A
G
G
G
F
A
G
L
T
A
A
I
A
L
K
Q
N
G
W
--
D
V
R
L
H
E
K
S
S
E
L
-
R
A
F
G
A
G
I
Y
L
W
H
N
G
L
R
V
L
E
G
L
G
A
L
D
D
V
L
Q
--
G
S
H
T
P
P
T
-
Y
E
--------------
T
W
M
H
N
K
S
V
SK
E
T
F
N
G
L
P
W
R
-
I
M
T
R
S
H
L
H
D
A
L
V
N
R
A
R
A
-
L
G
-------
V
D
I
S
V
N
S
E
A
V
A
A
D
P
V
-
G
R
L
T
L
Q
T
------
G
E
V
L
E
A
D
L
I
V
G
A
D
G
V
G
S
K
V
R
D
---
S
I
G
-
F
K
Q
D
R
W
V
S
K
D
G
L
I
R
L
I
V
P
RMK
K
E
L
G
H
G
EWDN
T
I
---
D
M
W
N
F
W
P
R
--------
V
Q
R
-
I
-
L
---
Y
-------
S
P
------
C
N
E
N
-
E
L
Y
L
G
L
M
A
--
P
A
A
D
P
R
G
S
S
V
P
-
I
D
L
-
E
V
W
V
E
M
F
P
F
--------------------------
L
-----------
E
P
C
L
--------------
I
E
A
A
K
L
K
T
----------
A
--
R
Y
D
K
Y
E
T
--
T
K
L
D
S
W
T
R
G
K
V
A
L
V
G
D
A
A
H
A
M
C
P
A
L
A
Q
G
A
G
C
A
M
V
N
A
F
S
L
S
Q
D
L
E
E
G
S
S
----
V
E
D
A
L
V
A
W
E
T
R
I
R
P
I
T
D
R
C
------------------------------------------
17
PsiBlast_PDB
55.13
26%
-90
- C1 -
4JY3
6
?
A:
[16-339]
---------
V
A
G
G
G
F
A
G
L
T
A
A
I
A
L
K
Q
N
G
W
--
D
V
R
L
H
E
K
S
S
E
L
-
R
A
F
G
A
G
I
Y
L
W
H
N
G
L
R
V
L
E
G
L
G
A
L
D
D
V
L
Q
--
G
S
H
T
P
P
T
-
Y
E
--------------
T
W
M
H
N
K
S
V
SK
E
T
F
N
G
L
P
W
R
-
I
M
T
R
S
H
L
H
D
A
L
V
N
R
A
R
A
-
L
G
-------
V
D
I
S
V
N
S
E
A
V
A
A
D
P
V
-
G
R
L
T
L
Q
T
------
G
E
V
L
E
A
D
L
I
V
G
A
D
G
V
G
S
K
V
R
D
---
S
I
G
-
F
K
Q
D
R
W
V
S
K
D
G
L
I
R
L
I
V
P
RMK
K
E
L
G
H
G
EWDN
T
I
---
D
M
W
N
F
W
P
R
--------
V
Q
R
-
I
-
L
---
Y
-------
S
P
------
C
N
E
N
-
E
L
Y
L
G
L
M
A
--
P
A
A
D
P
R
G
S
S
V
P
-
I
D
L
-
E
V
W
V
E
M
F
P
F
--------------------------
L
-----------
E
P
C
L
--------------
I
E
A
A
K
L
K
T
----------
A
--
R
Y
D
K
Y
E
T
--
T
K
L
D
S
W
T
R
G
K
V
A
L
V
G
D
A
A
H
A
M
C
P
A
L
A
Q
G
A
G
C
A
M
V
N
A
F
S
L
S
Q
D
L
E
E
G
S
S
----
V
E
D
A
L
V
A
W
E
T
R
I
R
P
I
T
D
R
C
------------------------------------------
14
PsiBlast_PDB
54.89
26%
-89
- C1 -
4H2P
19
?
A:
[16-339]
---------
V
A
G
G
G
F
A
G
L
T
A
A
I
A
L
K
Q
N
G
W
--
D
V
R
L
H
E
K
S
S
E
L
-
R
A
F
G
A
G
I
Y
L
W
H
N
G
L
R
V
L
E
G
L
G
A
L
D
D
V
L
Q
--
G
S
H
T
P
P
T
-
Y
E
--------------
T
W
M
H
N
K
S
V
SK
E
T
F
N
G
L
P
W
R
-
I
M
T
R
S
H
L
H
D
A
L
V
N
R
A
R
A
-
L
G
-------
V
D
I
S
V
N
S
E
A
V
A
A
D
P
V
-
G
R
L
T
L
Q
T
------
G
E
V
L
E
A
D
L
I
V
G
A
D
G
V
G
S
K
V
R
D
---
S
I
G
-
F
K
Q
D
R
W
V
S
K
D
G
L
I
R
L
I
V
P
RMK
K
E
L
G
H
G
EWDN
T
I
---
D
M
W
N
F
W
P
R
--------
V
Q
R
-
I
-
L
---
Y
-------
S
P
------
C
N
E
N
-
E
L
Y
L
G
L
M
A
--
P
A
A
D
P
R
G
S
S
V
P
-
I
D
L
-
E
V
W
V
E
M
F
P
F
--------------------------
L
-----------
E
P
C
L
--------------
I
E
A
A
K
L
K
T
----------
A
--
R
Y
D
K
Y
E
T
--
T
K
L
D
S
W
T
R
G
K
V
A
L
V
G
D
A
A
H
A
M
C
P
A
L
A
Q
G
A
G
C
A
M
V
N
A
F
S
L
S
Q
D
L
E
E
G
S
S
----
V
E
D
A
L
V
A
W
E
T
R
I
R
P
I
T
D
R
C
------------------------------------------
16
PsiBlast_PDB
54.85
26%
-90
- C1 -
4JY2
7
?
A:
[16-339]
---------
V
A
G
G
G
F
A
G
L
T
A
A
I
A
L
K
Q
N
G
W
--
D
V
R
L
H
E
K
S
S
E
L
-
R
A
F
G
A
G
I
Y
L
W
H
N
G
L
R
V
L
E
G
L
G
A
L
D
D
V
L
Q
--
G
S
H
T
P
P
T
-
Y
E
--------------
T
W
M
H
N
K
S
V
SK
E
T
F
N
G
L
P
W
R
-
I
M
T
R
S
H
L
H
D
A
L
V
N
R
A
R
A
-
L
G
-------
V
D
I
S
V
N
S
E
A
V
A
A
D
P
V
-
G
R
L
T
L
Q
T
------
G
E
V
L
E
A
D
L
I
V
G
A
D
G
V
G
S
K
V
R
D
---
S
I
G
-
F
K
Q
D
R
W
V
S
K
D
G
L
I
R
L
I
V
P
RMK
K
E
L
G
H
G
EWDN
T
I
---
D
M
W
N
F
W
P
R
--------
V
Q
R
-
I
-
L
---
Y
-------
S
P
------
C
N
E
N
-
E
L
Y
L
G
L
M
A
--
P
A
A
D
P
R
G
S
S
V
P
-
I
D
L
-
E
V
W
V
E
M
F
P
F
--------------------------
L
-----------
E
P
C
L
--------------
I
E
A
A
K
L
K
T
----------
A
--
R
Y
D
K
Y
E
T
--
T
K
L
D
S
W
T
R
G
K
V
A
L
V
G
D
A
A
H
A
M
C
P
A
L
A
Q
G
A
G
C
A
M
V
N
A
F
S
L
S
Q
D
L
E
E
G
S
S
----
V
E
D
A
L
V
A
W
E
T
R
I
R
P
I
T
D
R
C
------------------------------------------