@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 : I3U1B7: (2017-12-19 )
MEEESMRIACYGVRPNEIDFFEKLNIYHYDLSLYEELLTHDNIVSAKDHDAVLLRGNCIADETNLAKMQEYGIRYVFTRTVGVNHIDLQAAADFGMTVARVPSYSPNAIAELSLTFAMMLLRNTAYTTIRTSFKDFRVDEQMFSREIRNCTVGIIGTGRIGLTEAVLFKGLGAKVIGYDIHQTEAAKKVLTFHSLEELLAKSDIVSIHVPHIPGENDQMINEGFLAQMKKGSILINTARGELQDNEAILRALKSNHLAGFATDVFANETEVFFRSFKPWETIPDPAIQQLVEMYPRVLVTPHVGSNTDEALSNMISTSFENFREIIETGKTKNEVSLPKARQLR
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..------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MEEE
S
M
R
I
A
C
Y
GVRPNE
I
D
F
F
E-KL
N
I
-
Y
H
-Y
D
----
L
S
L
--
Y
E
E
L
L-THDNIVSAKDH
D
A
V
L
L
RG-NCIADET
N
L
A
K
M
Q
E
YG
I
R
Y
V
F
T
R
TVGV
N
H
I
D
L
Q
A
AADFG
M
T
V
ARVPSYSP
N
A
I
A
E
L
S
L
T
F
A
M
M
L
L
RNTA
Y
T
T
IRT
S
F
K
-DFR
V
D
E
Q
M
F
S
R
E
I
RN
C
T
V
G
I
I
GTGRIG
L
T
E
A
V
L
F
KGLG
A
K
V
I
G
Y
DIH
Q
T
-
E
A
A
K
K
V
-
L
T
F
H
--
S
L
E
E
L
L
AKS
D
I
V
S
I
HVPHIPGEND
Q
---
M
I
N
E
G
F
L
A
QMKKG
S
I
L
I
NTARGELQ
D
N
E
A
I
L
R
A
L
K
SNHLAGF
A
T
D
VFAN
E
T
E
V
F
F
RSFKPWETIP
D
P
A
I
Q
--------
Q
L
V
E
MYP
R
V
L
VTPHVGS
N
T
D
E
A
L
S
N
M
I
S
T
S
F
E
N
F
R
E
I
I
E
TGKTKNEVSLPKARQLR------------------------------------------------------------------------------------
1
PsiBlast_PDB
83.85
46%
3
- C2 -
-
1XDW
-
?
A:
[1-331]
-----
M
K
V
L
C
Y
G
V
R
D
V
E
L
P
I
F
E
-
A
C
N
K
E
F
G
-
Y
D
----
I
K
C
--
V
P
D
Y
L
N
T
K
E
T
A
E
M
A
A
G
F
D
A
V
I
L
R
G
-
N
C
F
A
N
K
Q
N
L
D
I
Y
K
K
L
G
V
K
Y
I
L
T
R
T
A
G
T
D
H
I
D
K
E
Y
A
K
E
L
G
F
P
M
A
F
V
P
R
Y
S
P
N
A
I
A
E
L
A
V
T
Q
A
M
M
L
L
R
H
T
A
Y
T
T
S
R
T
A
K
K
-
N
F
K
V
D
A
F
M
F
S
K
E
V
R
N
C
T
V
G
V
V
G
L
G
R
I
G
R
V
A
A
Q
I
F
H
G
M
G
A
T
V
I
G
E
D
V
F
E
I
-
K
G
I
E
D
Y
-
C
T
Q
V
--
S
L
D
E
V
L
E
K
S
D
I
I
T
I
H
A
P
Y
I
K
-
E
N
G
A
---
V
V
T
R
D
F
L
K
K
M
K
D
G
A
I
L
V
N
C
A
R
G
Q
L
V
D
T
E
A
V
I
E
A
V
E
S
G
K
L
G
G
Y
G
C
D
V
L
D
G
E
A
S
V
F
G
K
D
L
E
-
G
Q
K
L
E
N
P
L
F
E
--------
K
L
V
D
L
Y
P
R
V
L
I
T
P
H
L
G
S
Y
T
D
E
A
V
K
N
M
V
E
V
S
Y
Q
N
L
K
D
L
A
E
T
G
D
C
P
N
K
I
K
--------------------------------------------------------------------------------------------
35
PsiBlast_CBE
77.76
33%
-30
- C2 -
-
2YQ5
1
?
C:
[3-332]
------
K
I
A
M
Y
N
V
S
P
I
E
V
P
Y
I
E
-
D
W
A
K
-
K
N
D
V
E
----
I
K
T
--
T
D
Q
A
L
-
T
S
A
T
V
D
L
A
E
G
C
S
S
V
S
L
K
P
L
G
P
V
D
E
E
V
V
Y
Q
K
L
S
E
Y
G
V
K
C
I
G
L
R
I
V
G
F
N
T
I
N
F
D
W
T
K
K
Y
N
L
L
V
T
N
V
P
V
Y
S
P
R
A
I
A
E
M
T
V
T
Q
A
M
Y
L
L
R
K
I
G
E
F
R
Y
R
M
D
H
D
H
D
F
T
W
P
S
N
L
I
S
N
E
I
Y
N
L
T
V
G
L
I
G
V
G
H
I
G
S
A
V
A
E
I
F
S
A
M
G
A
K
V
I
A
Y
D
V
A
Y
N
-
P
E
F
E
P
F
-
L
T
Y
T
--
D
F
D
T
V
L
K
E
A
D
I
V
S
L
H
T
P
L
F
P
-
S
T
E
N
---
M
I
G
E
K
Q
L
K
E
M
K
K
S
A
Y
L
I
N
C
A
R
G
E
L
V
D
T
G
A
L
I
K
A
L
Q
D
G
E
I
A
G
A
G
L
D
T
L
A
G
E
S
S
Y
F
G
H
T
G
L
T
D
S
E
I
P
E
-
D
Y
K
--------
T
L
A
K
M
-
P
N
V
V
I
T
P
H
S
A
F
Y
T
E
T
S
I
R
N
M
V
Q
I
C
L
T
D
Q
L
T
I
A
K
G
G
R
P
R
S
I
V
N
--------------------------------------------------------------------------------------------
10
PsiBlast_PDB
76.02
33%
-28
- C2 -
-
2YQ4
-
?
A:
[3-331]
------
K
I
A
M
Y
N
V
S
P
I
E
V
P
Y
I
E
-
D
W
A
K
-
K
N
D
V
E
----
I
K
T
--
T
D
Q
A
L
-
T
S
A
T
V
D
L
A
E
G
C
S
S
V
S
L
K
P
L
G
P
V
D
E
E
V
V
Y
Q
K
L
S
E
Y
G
V
K
C
I
G
L
R
I
V
G
F
N
T
I
N
F
D
W
T
K
K
--
L
L
V
T
N
V
P
V
Y
S
P
R
A
I
A
E
M
T
V
T
Q
A
M
Y
L
L
R
K
I
G
E
F
R
Y
R
M
D
H
D
H
D
F
T
W
P
S
N
L
I
S
N
E
I
Y
N
L
T
V
G
L
I
G
V
G
H
I
G
S
A
V
A
E
I
F
S
A
M
G
A
K
V
I
A
Y
D
V
A
Y
N
-
P
E
F
E
P
F
-
L
T
Y
T
--
D
F
D
T
V
L
K
E
A
D
I
V
S
L
H
T
P
L
F
P
-
S
T
E
N
---
M
I
G
E
K
Q
L
K
E
M
K
K
S
A
Y
L
I
N
C
A
R
G
E
L
V
D
T
G
A
L
I
K
A
L
Q
D
G
E
I
A
G
A
G
L
D
T
L
A
G
E
S
S
Y
F
G
H
T
G
L
T
D
S
E
I
P
E
-
D
Y
K
--------
T
L
A
K
M
-
P
N
V
V
I
T
P
H
S
A
F
Y
T
E
T
S
I
R
N
M
V
Q
I
C
L
T
D
Q
L
T
I
A
K
G
G
R
P
R
S
I
V
---------------------------------------------------------------------------------------------
2
PsiBlast_PDB
75.94
35%
-7
- C2 -
-
1DXY
2
DHD2_LACPA
A:
[1-330]
-----
M
K
I
I
A
Y
G
A
R
V
D
E
I
Q
Y
F
K
-
Q
----
W
A
-
K
D
T
G
N
T
L
E
Y
--
H
T
E
F
L
-
D
E
N
T
V
E
W
A
K
G
F
D
G
I
N
S
L
Q
-
T
T
P
Y
A
A
G
V
F
E
K
M
H
A
Y
G
I
K
F
L
T
I
R
N
V
G
T
D
N
I
D
M
T
A
M
K
Q
Y
G
I
R
L
S
N
V
P
A
Y
S
P
A
A
I
A
E
F
A
L
T
D
T
L
Y
L
L
R
N
M
G
K
V
Q
A
Q
L
Q
A
G
-
D
Y
E
K
A
G
T
F
I
G
K
E
L
G
Q
Q
T
V
G
V
M
G
T
G
H
I
G
Q
V
A
I
K
L
F
K
G
F
G
A
K
V
I
A
Y
D
P
Y
P
M
-
K
G
D
H
P
D
-
F
D
Y
V
--
S
L
E
D
L
F
K
Q
S
D
V
I
D
L
H
V
P
G
I
E
-
Q
N
T
H
---
I
I
N
E
A
A
F
N
L
M
K
P
G
A
I
V
I
N
T
A
R
P
N
L
I
D
T
Q
A
M
L
S
N
L
K
S
G
K
L
A
G
V
G
I
D
T
Y
E
Y
E
T
E
D
L
L
N
L
A
K
H
-
G
S
F
K
D
P
L
W
D
--------
E
L
L
G
M
-
P
N
V
V
L
S
P
H
I
A
Y
Y
T
E
T
A
V
H
N
M
V
Y
F
S
L
Q
H
L
V
D
F
L
T
K
G
E
T
S
T
E
V
T
G
-------------------------------------------------------------------------------------------
89
HHSearch
75.89
35%
-18
- C2 -
-
1DXY
2
DHD2_LACPA
A:
[1-330]
-----
M
K
I
I
A
Y
G
A
R
V
D
E
I
Q
Y
F
K
-
Q
W
A
K
D
T
G
-
N
T
----
L
E
Y
--
H
T
E
F
L
-
D
E
N
T
V
E
W
A
K
G
F
D
G
I
N
S
L
Q
-
T
T
P
Y
A
A
G
V
F
E
K
M
H
A
Y
G
I
K
F
L
T
I
R
N
V
G
T
D
N
I
D
M
T
A
M
K
Q
Y
G
I
R
L
S
N
V
P
A
Y
S
P
A
A
I
A
E
F
A
L
T
D
T
L
Y
L
L
R
N
M
G
K
V
Q
A
Q
L
Q
A
G
-
D
Y
E
K
A
G
T
F
I
G
K
E
L
G
Q
Q
T
V
G
V
M
G
T
G
H
I
G
Q
V
A
I
K
L
F
K
G
F
G
A
K
V
I
A
Y
D
P
Y
P
M
-
K
G
D
H
P
D
-
F
D
Y
V
--
S
L
E
D
L
F
K
Q
S
D
V
I
D
L
H
V
P
G
I
E
-
Q
N
T
H
---
I
I
N
E
A
A
F
N
L
M
K
P
G
A
I
V
I
N
T
A
R
P
N
L
I
D
T
Q
A
M
L
S
N
L
K
S
G
K
L
A
G
V
G
I
D
T
Y
E
Y
E
T
E
D
L
L
N
L
A
K
-
H
G
S
F
K
D
P
L
W
D
--------
E
L
L
G
-
M
P
N
V
V
L
S
P
H
I
A
Y
Y
T
E
T
A
V
H
N
M
V
Y
F
S
L
Q
H
L
V
D
F
L
T
K
G
E
T
S
T
E
V
T
G
-------------------------------------------------------------------------------------------
11
PsiBlast_PDB
75.19
33%
-28
- C2 -
-
2YQ5
1
?
A:
[3-331]
------
K
I
A
M
Y
N
V
S
P
I
E
V
P
Y
I
E
-
D
W
A
K
-
K
N
D
V
E
----
I
K
T
--
T
D
Q
A
L
-
T
S
A
T
V
D
L
A
E
G
C
S
S
V
S
L
K
P
L
G
P
V
D
E
E
V
V
Y
Q
K
L
S
E
Y
G
V
K
C
I
G
L
R
I
V
G
F
N
T
I
N
F
D
W
T
K
K
--
L
L
V
T
N
V
P
V
Y
S
P
R
A
I
A
E
M
T
V
T
Q
A
M
Y
L
L
R
K
I
G
E
F
R
Y
R
M
D
H
D
H
D
F
T
W
P
S
N
L
I
S
N
E
I
Y
N
L
T
V
G
L
I
G
V
G
H
I
G
S
A
V
A
E
I
F
S
A
M
G
A
K
V
I
A
Y
D
V
A
Y
N
-
P
E
F
E
P
F
-
L
T
Y
T
--
D
F
D
T
V
L
K
E
A
D
I
V
S
L
H
T
P
L
F
P
-
S
T
E
N
---
M
I
G
E
K
Q
L
K
E
M
K
K
S
A
Y
L
I
N
C
A
R
G
E
L
V
D
T
G
A
L
I
K
A
L
Q
D
G
E
I
A
G
A
G
L
D
T
L
A
G
E
S
S
Y
F
G
H
T
G
L
T
D
S
E
I
P
E
-
D
Y
K
--------
T
L
A
K
M
-
P
N
V
V
I
T
P
H
S
A
F
Y
T
E
T
S
I
R
N
M
V
Q
I
C
L
T
D
Q
L
T
I
A
K
G
G
R
P
R
S
I
V
---------------------------------------------------------------------------------------------
36
PsiBlast_CBE
74.66
33%
-33
- C2 -
-
2YQ5
1
?
B:
[3-332]
------
K
I
A
M
Y
N
V
S
P
I
E
V
P
Y
I
E
-
D
W
A
K
-
K
N
D
V
E
----
I
K
T
--
T
D
Q
A
L
-
T
S
A
T
V
D
L
A
E
G
C
S
S
V
S
L
K
P
L
G
P
V
D
E
E
V
V
Y
Q
K
L
S
E
Y
G
V
K
C
I
G
L
R
I
V
G
F
N
T
I
N
F
D
W
T
K
---
L
L
V
T
N
V
P
V
Y
S
P
R
A
I
A
E
M
T
V
T
Q
A
M
Y
L
L
R
K
I
G
E
F
R
Y
R
M
D
H
D
H
D
F
T
W
P
S
N
L
I
S
N
E
I
Y
N
L
T
V
G
L
I
G
V
G
H
I
G
S
A
V
A
E
I
F
S
A
M
G
A
K
V
I
A
Y
D
V
A
Y
N
-
P
E
F
E
P
F
-
L
T
Y
T
--
D
F
D
T
V
L
K
E
A
D
I
V
S
L
H
T
P
L
F
P
-
S
T
E
N
---
M
I
G
E
K
Q
L
K
E
M
K
K
S
A
Y
L
I
N
C
A
R
G
E
L
V
D
T
G
A
L
I
K
A
L
Q
D
G
E
I
A
G
A
G
L
D
T
L
A
G
E
S
S
Y
F
G
H
T
G
L
T
D
S
E
I
P
E
-
D
Y
K
--------
T
L
A
K
M
-
P
N
V
V
I
T
P
H
S
A
F
Y
T
E
T
S
I
R
N
M
V
Q
I
C
L
T
D
Q
L
T
I
A
K
G
G
R
P
R
S
I
V
N
--------------------------------------------------------------------------------------------
29
PsiBlast_CBE
73.09
32%
-11
- C2 -
-
4ZGS
1
?
E:
[34-367]
----
T
T
R
C
I
C
Y
S
T
T
Q
Y
V
K
D
F
L
A
G
P
M
Q
K
-
V
F
-
T
D
----
T
Y
F
--
V
E
P
P
L
-
D
K
D
T
A
Q
L
A
R
G
Y
D
V
A
V
L
F
V
-
N
D
R
A
D
A
S
V
I
K
E
L
A
K
A
G
V
K
L
I
A
L
R
C
A
G
F
D
R
V
D
L
H
A
C
A
E
H
G
V
R
V
V
R
V
P
T
Y
S
P
E
S
V
A
E
H
A
V
A
L
I
F
A
L
N
R
H
L
T
D
A
Y
I
R
V
R
M
G
-
N
Y
S
L
-
S
G
L
V
G
V
E
M
R
H
K
V
V
G
V
V
G
T
G
A
I
G
Q
Q
A
A
R
I
L
K
G
I
G
C
K
V
F
A
Y
D
I
K
P
N
-
P
A
V
E
A
M
G
I
P
Y
V
--
S
L
D
E
L
L
A
M
S
D
I
V
T
L
H
C
P
L
L
P
-
S
T
R
Q
---
L
I
N
K
E
S
I
Q
K
M
K
K
G
V
M
L
I
N
V
S
R
G
G
L
I
D
S
A
A
L
F
D
A
L
E
S
G
Q
I
G
A
L
G
L
D
V
Y
E
N
E
G
G
L
F
F
V
D
H
T
K
F
----
D
P
S
V
R
M
Q
K
WD
R
Q
F
R
T
L
L
S
Y
P
Q
V
L
V
T
P
H
T
A
F
L
T
E
E
A
L
N
N
I
C
T
T
T
I
Q
N
I
A
D
Y
V
L
D
R
P
L
G
N
E
----------------------------------------------------------------------------------------------
17
PsiBlast_PDB
73.05
30%
-8
- C2 -
-
3WWY
4
?
A:
[25-354]
---
Q
K
T
K
I
I
F
F
D
I
K
D
Y
D
K
E
F
F
K
-
K
Y
G
A
D
Y
N
-
F
E
----
M
T
F
--
L
K
V
R
L
-
T
E
E
T
A
N
L
T
K
G
Y
D
V
V
C
G
F
A
-
N
D
N
I
N
K
E
T
I
D
I
M
A
E
N
G
I
K
L
L
A
M
R
C
A
G
F
N
N
V
S
L
K
D
V
N
E
-
R
F
K
V
V
R
V
P
A
Y
S
P
H
A
I
A
E
Y
T
V
G
L
I
L
A
V
N
R
K
I
N
K
A
Y
V
R
T
R
E
G
-
N
F
S
I
N
G
L
M
-
G
I
D
L
Y
E
K
T
A
G
I
I
G
T
G
K
I
G
Q
I
L
I
K
I
L
R
G
F
D
M
K
V
I
A
Y
D
L
F
P
N
-
Q
K
V
A
D
E
-
L
G
F
E
Y
V
S
L
D
E
L
Y
A
N
S
D
I
I
S
L
N
C
P
-
L
T
K
D
T
K
Y
---
M
I
N
R
R
S
M
L
K
M
K
D
G
V
I
L
V
N
T
G
R
G
M
L
I
D
S
A
D
L
V
E
A
L
K
D
K
K
I
G
A
V
A
L
D
V
Y
E
E
E
E
N
Y
F
F
E
D
-
K
S
T
Q
V
I
E
D
D
I
L
G
--------
R
L
L
S
F
Y
-
N
V
L
I
T
S
H
Q
A
Y
F
T
K
E
A
V
G
A
I
T
V
T
T
L
N
N
I
K
D
F
V
E
G
R
P
L
V
N
E
V
---------------------------------------------------------------------------------------------
26
PsiBlast_CBE
72.51
32%
-15
- C2 -
-
4ZGS
1
?
H:
[34-367]
----
T
T
R
C
I
C
Y
S
T
T
Q
Y
V
K
D
F
L
A
G
P
M
Q
K
-
V
F
-
T
D
----
T
Y
F
--
V
E
P
P
L
-
D
K
D
T
A
Q
L
A
R
G
Y
D
V
A
V
L
F
V
-
N
D
R
A
D
A
S
V
I
K
E
L
A
K
A
G
V
K
L
I
A
L
R
C
A
G
F
D
R
V
D
L
H
A
C
A
E
H
G
V
R
V
V
R
V
P
T
Y
S
P
E
S
V
A
E
H
A
V
A
L
I
F
A
L
N
R
H
L
T
D
A
Y
I
R
V
R
M
G
-
N
Y
S
L
-
S
G
L
V
G
V
E
M
R
H
K
V
V
G
V
V
G
T
G
A
I
G
Q
Q
A
A
R
I
L
K
G
I
G
C
K
V
F
A
Y
D
I
K
P
N
-
P
A
V
E
A
M
G
I
P
Y
V
--
S
L
D
E
L
L
A
M
S
D
I
V
T
L
H
C
P
L
L
P
-
S
T
R
Q
---
L
I
N
K
E
S
I
Q
K
M
K
K
G
V
M
L
I
N
V
S
R
G
G
L
I
D
S
A
A
L
F
D
A
L
E
S
G
Q
I
G
A
L
G
L
D
V
Y
E
N
E
G
G
L
F
F
V
D
H
T
K
F
----
D
P
S
V
R
MQKWDRQF
R
T
L
L
S
Y
P
Q
V
L
V
T
P
H
T
A
F
L
T
E
E
A
L
N
N
I
C
T
T
T
I
Q
N
I
A
D
Y
V
L
D
R
P
L
G
N
E
----------------------------------------------------------------------------------------------
28
PsiBlast_CBE
72.45
32%
-15
- C2 -
-
4ZGS
1
?
F:
[34-368]
----
T
T
R
C
I
C
Y
S
T
T
Q
Y
V
K
D
F
L
A
G
P
M
Q
K
-
V
F
-
T
D
----
T
Y
F
--
V
E
P
P
L
-
D
K
D
T
A
Q
L
A
R
G
Y
D
V
A
V
L
F
V
-
N
D
R
A
D
A
S
V
I
K
E
L
A
K
A
G
V
K
L
I
A
L
R
C
A
G
F
D
R
V
D
L
H
A
C
A
E
H
G
V
R
V
V
R
V
P
T
Y
S
P
E
S
V
A
E
H
A
V
A
L
I
F
A
L
N
R
H
L
T
D
A
Y
I
R
V
R
M
G
-
N
Y
S
L
-
S
G
L
V
G
V
E
M
R
H
K
V
V
G
V
V
G
T
G
A
I
G
Q
Q
A
A
R
I
L
K
G
I
G
C
K
V
F
A
Y
D
I
K
P
N
-
P
A
V
E
A
M
G
I
P
Y
V
--
S
L
D
E
L
L
A
M
S
D
I
V
T
L
H
C
P
L
L
P
-
S
T
R
Q
---
L
I
N
K
E
S
I
Q
K
M
K
K
G
V
M
L
I
N
V
S
R
G
G
L
I
D
S
A
A
L
F
D
A
L
E
S
G
Q
I
G
A
L
G
L
D
V
Y
E
N
E
G
G
L
F
F
V
D
H
T
K
F
----
D
P
S
V
R
MQKWDRQF
R
T
L
L
S
Y
P
Q
V
L
V
T
P
H
T
A
F
L
T
E
E
A
L
N
N
I
C
T
T
T
I
Q
N
I
A
D
Y
V
L
D
R
P
L
G
N
E
V
---------------------------------------------------------------------------------------------
31
PsiBlast_CBE
72.30
32%
-7
- C2 -
-
4ZGS
1
?
C:
[34-367]
----
T
T
R
C
I
C
Y
S
T
T
Q
Y
V
K
D
F
L
A
G
P
M
Q
K
-
V
F
-
T
D
----
T
Y
F
--
V
E
P
P
L
-
D
K
D
T
A
Q
L
A
R
G
Y
D
V
A
V
L
F
V
-
N
D
R
A
D
A
S
V
I
K
E
L
A
K
A
G
V
K
L
I
A
L
R
C
A
G
F
D
R
V
D
L
H
A
C
A
E
H
G
V
R
V
V
R
V
P
T
Y
S
P
E
S
V
A
E
H
A
V
A
L
I
F
A
L
N
R
H
L
T
D
A
Y
I
R
V
R
M
G
-
N
Y
S
L
-
S
G
L
V
G
V
E
M
R
H
K
V
V
G
V
V
G
T
G
A
I
G
Q
Q
A
A
R
I
L
K
G
I
G
C
K
V
F
A
Y
D
I
K
P
N
-
P
A
V
E
A
M
G
I
P
Y
V
--
S
L
D
E
L
L
A
M
S
D
I
V
T
L
H
C
P
L
L
P
-
S
T
R
Q
---
L
I
N
K
E
S
I
Q
K
M
K
K
G
V
M
L
I
N
V
S
R
G
G
L
I
D
S
A
A
L
F
D
A
L
E
S
G
Q
I
G
A
L
G
L
D
V
Y
E
N
E
G
G
L
F
F
V
D
H
T
K
F
----
D
P
S
V
R
M
Q
K
WD
R
Q
F
R
T
L
L
S
Y
P
Q
V
L
V
T
P
H
T
A
F
L
T
E
E
A
L
N
N
I
C
T
T
T
I
Q
N
I
A
D
Y
V
L
D
R
P
L
G
N
E
----------------------------------------------------------------------------------------------
22
PsiBlast_CBE
72.10
33%
-11
* C2 *
-
1J49
1
LDHD_LACDA
B:
[3-332]
------
K
I
F
A
Y
A
I
R
E
D
E
K
P
F
L
K
-
E
W
E
D
-
A
H
-
K
D
----
V
E
V
EY
T
D
K
L
L
-
T
P
E
T
V
A
L
A
K
G
A
D
G
V
V
V
Y
Q
-
Q
L
D
Y
I
A
E
T
L
Q
A
L
A
D
N
G
I
T
K
M
S
L
R
N
V
G
V
D
N
I
D
M
A
K
A
K
E
L
G
F
Q
I
T
N
V
P
V
Y
S
P
N
A
I
A
E
H
A
A
I
Q
A
A
R
I
L
R
Q
D
K
A
M
D
E
K
V
A
R
H
-
D
L
R
W
-
A
P
T
I
G
R
E
V
R
D
Q
V
V
G
V
V
G
T
G
H
I
G
Q
V
F
M
Q
I
M
E
G
F
G
A
K
V
I
T
Y
D
I
F
R
N
P
E
L
E
K
K
G
-
Y
Y
V
D
--
S
L
D
D
L
Y
K
Q
A
D
V
I
S
L
H
V
P
D
V
P
A
-
N
V
H
---
M
I
N
D
E
S
I
A
K
M
K
Q
D
V
V
I
V
N
V
S
R
G
P
L
V
D
T
D
A
V
I
R
G
L
D
S
G
K
I
F
G
Y
A
M
D
V
Y
E
G
E
V
G
I
F
N
E
D
W
E
G
K
E
-
F
P
D
A
R
L
A
--------
D
L
I
A
R
-
P
N
V
L
V
T
P
H
T
A
F
Y
T
T
H
A
V
R
N
M
V
V
K
A
F
D
N
N
L
E
L
V
E
G
K
E
A
E
T
P
V
K
V
-------------------------------------------------------------------------------------------
27
PsiBlast_CBE
72.05
32%
-16
- C2 -
-
4ZGS
1
?
G:
[34-368]
----
T
T
R
C
I
C
Y
S
T
T
Q
Y
V
K
D
F
L
A
G
P
M
Q
K
-
V
F
-
T
D
----
T
Y
F
--
V
E
P
P
L
-
D
K
D
T
A
Q
L
A
R
G
Y
D
V
A
V
L
F
V
-
N
D
R
A
D
A
S
V
I
K
E
L
A
K
A
G
V
K
L
I
A
L
R
C
A
G
F
D
R
V
D
L
H
A
C
A
E
H
G
V
R
V
V
R
V
P
T
Y
S
P
E
S
V
A
E
H
A
V
A
L
I
F
A
L
N
R
H
L
T
D
A
Y
I
R
V
R
M
G
-
N
Y
S
L
-
S
G
L
V
G
V
E
M
R
H
K
V
V
G
V
V
G
T
G
A
I
G
Q
Q
A
A
R
I
L
K
G
I
G
C
K
V
F
A
Y
D
I
K
P
N
-
P
A
V
E
A
M
G
I
P
Y
V
--
S
L
D
E
L
L
A
M
S
D
I
V
T
L
H
C
P
L
L
P
-
S
T
R
Q
---
L
I
N
K
E
S
I
Q
K
M
K
K
G
V
M
L
I
N
V
S
R
G
G
L
I
D
S
A
A
L
F
D
A
L
E
S
G
Q
I
G
A
L
G
L
D
V
Y
E
N
E
G
G
L
F
F
V
D
H
T
K
F
----
D
P
S
V
R
MQKWDRQF
R
T
L
L
S
Y
P
Q
V
L
V
T
P
H
T
A
F
L
T
E
E
A
L
N
N
I
C
T
T
T
I
Q
N
I
A
D
Y
V
L
D
R
P
L
G
N
E
V
---------------------------------------------------------------------------------------------
3
PsiBlast_PDB
71.27
33%
-8
- C2 -
-
2DLD
2
LDHD_LACHE
A:
[3-336]
------
K
V
F
A
Y
A
I
R
K
D
E
E
P
F
L
N
-
E
W
K
E
-
A
H
-
K
D
----
I
D
V
D
Y
T
D
K
L
L
-
T
P
E
T
A
K
L
A
K
G
A
D
G
V
V
V
Y
Q
-
Q
L
D
Y
T
A
D
T
L
Q
A
L
A
D
A
G
V
T
K
M
S
L
R
N
V
G
V
D
N
I
D
M
D
K
A
K
E
L
G
F
Q
I
T
N
V
P
V
Y
S
P
N
A
I
A
E
H
A
A
I
Q
A
A
R
V
L
R
Q
D
K
R
M
D
E
K
M
A
K
R
-
D
L
R
W
-
A
P
T
I
G
R
E
V
R
D
Q
V
V
G
V
V
G
T
G
H
I
G
Q
V
F
M
R
I
M
E
G
F
G
A
K
V
I
A
Y
D
I
F
K
N
P
E
L
E
K
K
G
-
Y
Y
V
D
--
S
L
D
D
L
Y
K
Q
A
D
V
I
S
L
H
V
P
D
V
P
A
-
N
V
H
---
M
I
N
D
K
S
I
A
E
M
K
D
G
V
V
I
V
N
C
S
R
G
R
L
V
D
T
D
A
V
I
R
G
L
D
S
G
K
I
F
G
F
V
M
D
T
Y
E
D
E
V
G
V
F
N
K
D
W
E
G
K
E
-
F
P
D
K
R
L
A
--------
D
L
I
D
R
-
P
N
V
L
V
T
P
H
T
A
F
Y
T
T
H
A
V
R
N
M
V
V
K
A
F
N
N
N
L
K
L
I
N
G
E
K
P
D
S
P
V
A
L
N
K
N
K
---------------------------------------------------------------------------------------
32
PsiBlast_CBE
71.26
32%
-14
- C2 -
-
4ZGS
1
?
B:
[34-366]
----
T
T
R
C
I
C
Y
S
T
T
Q
Y
V
K
D
F
L
A
G
P
M
Q
K
-
V
F
-
T
D
----
T
Y
F
--
V
E
P
P
L
-
D
K
D
T
A
Q
L
A
R
G
Y
D
V
A
V
L
F
V
-
N
D
R
A
D
A
S
V
I
K
E
L
A
K
A
G
V
K
L
I
A
L
R
C
A
G
F
D
R
V
D
L
H
A
C
A
E
H
G
V
R
V
V
R
V
P
T
Y
S
P
E
S
V
A
E
H
A
V
A
L
I
F
A
L
N
R
H
L
T
D
A
Y
I
R
V
R
M
G
-
N
Y
S
L
-
S
G
L
V
G
V
E
M
R
H
K
V
V
G
V
V
G
T
G
A
I
G
Q
Q
A
A
R
I
L
K
G
I
G
C
K
V
F
A
Y
D
I
K
P
N
-
P
A
V
E
A
M
G
I
P
Y
V
--
S
L
D
E
L
L
A
M
S
D
I
V
T
L
H
C
P
L
L
P
-
S
T
R
Q
---
L
I
N
K
E
S
I
Q
K
M
K
K
G
V
M
L
I
N
V
S
R
G
G
L
I
D
S
A
A
L
F
D
A
L
E
S
G
Q
I
G
A
L
G
L
D
V
Y
E
N
E
G
G
L
F
F
V
D
H
T
K
F
----
D
P
S
V
R
M
Q
K
WD
R
Q
F
R
T
L
L
S
Y
P
Q
V
L
V
T
P
H
T
A
F
L
T
E
E
A
L
N
N
I
C
T
T
T
I
Q
N
I
A
D
Y
V
L
D
R
P
L
G
N
-----------------------------------------------------------------------------------------------
6
PsiBlast_PDB
71.22
32%
-16
- C2 -
-
4ZGS
1
?
A:
[34-368]
----
T
T
R
C
I
C
Y
S
T
T
Q
Y
V
K
D
F
L
A
G
P
M
Q
K
-
V
F
-
T
D
----
T
Y
F
--
V
E
P
P
L
-
D
K
D
T
A
Q
L
A
R
G
Y
D
V
A
V
L
F
V
-
N
D
R
A
D
A
S
V
I
K
E
L
A
K
A
G
V
K
L
I
A
L
R
C
A
G
F
D
R
V
D
L
H
A
C
A
E
H
G
V
R
V
V
R
V
P
T
Y
S
P
E
S
V
A
E
H
A
V
A
L
I
F
A
L
N
R
H
L
T
D
A
Y
I
R
V
R
M
G
-
N
Y
S
L
-
S
G
L
V
G
V
E
M
R
H
K
V
V
G
V
V
G
T
G
A
I
G
Q
Q
A
A
R
I
L
K
G
I
G
C
K
V
F
A
Y
D
I
K
P
N
-
P
A
V
E
A
M
G
I
P
Y
V
--
S
L
D
E
L
L
A
M
S
D
I
V
T
L
H
C
P
L
L
P
-
S
T
R
Q
---
L
I
N
K
E
S
I
Q
K
M
K
K
G
V
M
L
I
N
V
S
R
G
G
L
I
D
S
A
A
L
F
D
A
L
E
S
G
Q
I
G
A
L
G
L
D
V
Y
E
N
E
G
G
L
F
F
V
D
H
T
K
F
----
D
P
S
V
R
M
Q
K
WD
R
Q
F
R
T
L
L
S
Y
P
Q
V
L
V
T
P
H
T
A
F
L
T
E
E
A
L
N
N
I
C
T
T
T
I
Q
N
I
A
D
Y
V
L
D
R
P
L
G
N
E
V
---------------------------------------------------------------------------------------------
30
PsiBlast_CBE
71.11
32%
-12
- C2 -
-
4ZGS
1
?
D:
[34-367]
----
T
T
R
C
I
C
Y
S
T
T
Q
Y
V
K
D
F
L
A
G
P
M
Q
K
-
V
F
-
T
D
----
T
Y
F
--
V
E
P
P
L
-
D
K
D
T
A
Q
L
A
R
G
Y
D
V
A
V
L
F
V
-
N
D
R
A
D
A
S
V
I
K
E
L
A
K
A
G
V
K
L
I
A
L
R
C
A
G
F
D
R
V
D
L
H
A
C
A
E
H
G
V
R
V
V
R
V
P
T
Y
S
P
E
S
V
A
E
H
A
V
A
L
I
F
A
L
N
R
H
L
T
D
A
Y
I
R
V
R
M
G
-
N
Y
S
L
-
S
G
L
V
G
V
E
M
R
H
K
V
V
G
V
V
G
T
G
A
I
G
Q
Q
A
A
R
I
L
K
G
I
G
C
K
V
F
A
Y
D
I
K
P
N
-
P
A
V
E
A
M
G
I
P
Y
V
--
S
L
D
E
L
L
A
M
S
D
I
V
T
L
H
C
P
L
L
P
-
S
T
R
Q
---
L
I
N
K
E
S
I
Q
K
M
K
K
G
V
M
L
I
N
V
S
R
G
G
L
I
D
S
A
A
L
F
D
A
L
E
S
G
Q
I
G
A
L
G
L
D
V
Y
E
N
E
G
G
L
F
F
V
D
H
T
K
F
----
D
P
S
V
R
M
Q
K
WD
R
Q
F
R
T
L
L
S
Y
P
Q
V
L
V
T
P
H
T
A
F
L
T
E
E
A
L
N
N
I
C
T
T
T
I
Q
N
I
A
D
Y
V
L
D
R
P
L
G
N
E
----------------------------------------------------------------------------------------------
102
Fugue
70.97
23%
-84
- C2 -
-
2O4C
1
PDXB_PSEAE
A:
[1-380]
-----
M
R
I
L
A
D
E
N
I
P
V
V
D
A
F
F
A
-
D
Q
G
------------
S
I
--
R
R
L
P
G
-
R
A
I
D
R
A
A
L
A
E
V
D
V
L
L
V
R
S
-
V
T
E
V
S
R
A
A
L
A
G
S
P
---
V
R
F
V
G
T
C
T
I
G
T
D
H
L
D
L
D
Y
F
A
E
A
G
I
A
W
S
S
A
P
G
C
N
A
R
G
V
V
D
Y
V
L
G
C
L
L
A
M
A
E
V
R
--------------------
G
A
D
L
A
E
R
T
Y
G
V
V
G
A
G
Q
V
G
G
R
L
V
E
V
L
R
G
L
G
W
K
V
L
V
C
D
P
P
R
Q
-
A
R
E
P
D
G
--
E
F
V
--
S
L
E
R
L
L
A
E
A
D
V
I
S
L
H
T
P
L
N
R
D
G
E
H
P
T
RH
L
L
D
E
P
R
L
A
A
L
R
P
G
T
W
L
V
N
A
S
R
G
A
V
V
D
N
Q
A
L
R
R
L
L
E
G
G
A
D
L
E
V
A
L
D
V
W
E
G
E
P
Q
A
------------
D
P
E
L
A
--------
A
R
C
L
-----
I
A
T
P
H
I
A
G
Y
S
L
E
G
K
L
R
G
T
A
Q
I
Y
Q
A
Y
C
A
W
R
G
I
A
E
R
V
S
L
Q
D
V
L
P
E
T
W
L
A
G
L
Q
L
N
PGCD
P
A
W
A
L
A
T
L
C
R
A
V
YDP
R
S
D
D
A
A
F
R
R
S
L
TGD
S
A
T
R
R
A
A
F
D
A
L
R
K
H
Y
P
P
R
R
E
ITG
L
R
V
A
T
GGQ
A
E
L
Q
R
V
V
R
A
L
GAQLV
5
PsiBlast_PDB
70.00
33%
-10
- C2 -
-
1J4A
-
LDHD_LACDA
A:
[3-332]
------
K
I
F
A
Y
A
I
R
E
D
E
K
P
F
L
K
-
E
W
E
D
-
A
H
-
K
D
----
V
E
V
E
Y
T
D
K
L
L
-
T
P
E
T
V
A
L
A
K
G
A
D
G
V
V
V
Y
Q
-
Q
L
D
Y
I
A
E
T
L
Q
A
L
A
D
N
G
I
T
K
M
S
L
R
N
V
G
V
D
N
I
D
M
A
K
A
K
E
L
G
F
Q
I
T
N
V
P
V
Y
S
P
N
A
I
A
E
H
A
A
I
Q
A
A
R
I
L
R
Q
D
K
A
M
D
E
K
V
A
R
H
-
D
L
R
W
-
A
P
T
I
G
R
E
V
R
D
Q
V
V
G
V
V
G
T
G
H
I
G
Q
V
F
M
Q
I
M
E
G
F
G
A
K
V
I
T
Y
D
I
F
R
N
P
E
L
E
K
K
G
-
Y
Y
V
D
--
S
L
D
D
L
Y
K
Q
A
D
V
I
S
L
H
V
P
D
V
P
A
-
N
V
H
---
M
I
N
D
E
S
I
A
K
M
K
Q
D
V
V
I
V
N
V
S
R
G
P
L
V
D
T
D
A
V
I
R
G
L
D
S
G
K
I
F
G
Y
A
M
D
V
Y
E
G
E
V
G
I
F
N
E
D
W
E
G
K
E
-
F
P
D
A
R
L
A
--------
D
L
I
A
R
-
P
N
V
L
V
T
P
K
T
A
F
Y
T
T
H
A
V
R
N
M
V
V
K
A
F
D
N
N
L
E
L
V
E
G
K
E
A
E
T
P
V
K
V
-------------------------------------------------------------------------------------------