@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 : jhp_1491: (2015-12-24 )
MILSIESSCDDSSLALTRIEDAKLIAHFKISQEKHHSSYGGVVPEIASRLHAENLPLLLERVKISLNKDFSKIKAIAITNQPGLSVTLIEGLMMAKALSLSLNLPLILEDHLRGHVYSLFINEKQTRMPLSVLLVSGGHSLILEARDYEDIKIVATSLDDSFGESFDKVSKMLDLGYPGGPIVEKLALDYAHPNEPLMFPIPLKNSPNLAFSFSGLKNAVRLEVEKNAHNLNDEVKQKIGYHFQSAAIEHLIQQTKRYFKIKRPKIFGIVGGASQNLALRKAFEDLCAEFDCELVLAPLEFCSDNAAMIGRSSLEAYQKKRFIPLEKADISPRTLLKNFE
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)
(Ligand)
(Uniprot)
-
M
I
L
SIESSCDDSS
L
A
L
----
T
R
IED
A
K
-
L
I
--
A
--
H
F
--
K
IS
Q
E
KHHSSYG
G
V
V
P
E
I
A
S
R
L
HA-EN
L
P
L
L
----
L
E
R
V
K
I
S
--LNKDFSK
I
K
A
I
A
I
TNQPGL
S
V
T
L
I
E
G
L
M
M
A
K
A
L
S
LSLNL
P
L
I
L
E
D
HLRG
H
--
V
Y
S
L
F
INEKQ--TRM-----
P
L
S
V
L
L
-VSGG
H
---------
S
--
L
I
L
EARD--Y-------------E
D
-----------------------
I
-----------------
K
I
V
A
TSL
D
D
S
F
G
E
S
F
D
K
V
S
K
M
L
DLGY----PG--
G
P
I
V
E
K
L
A
---------
L
DYAHPNEP
L
M
F
P
IPLKNSP
N
---
L
A
F
S
FSGLK
N
A
V
R
L
E
V
EKNAHNL
N
D
E
V
K
Q
K
----
I
G
Y
H
F
Q
S
A
A
I
E
H
L
I
Q
Q
T
K
R
Y
F-----KIKR
P
K
I
F
G
I
VGGASQ
N
L
A
L
R
K
A
F
E
D
L
C
A
EFDC-
E
L
V
L
A
P
L
E
FCSD
N
A
A
M
I
G
R
S
S
L
E
A
Y
Q
K
KR
F
I
PLEKADI
S
P
R
T
L
LKNFE----
18
PsiBlast_CBE
90.01
33%
-99
- C4 -
3ZEU
4
?
E:
[3-314]
--
V
L
G
I
E
T
S
C
D
E
T
G
I
A
I
------
Y
D
D
K
K
G
L
L
--
A
--
N
Q
--
L
Y
S
Q
V
K
L
H
A
D
Y
G
G
V
V
P
E
L
A
S
R
D
H
V
-
R
K
T
V
P
L
----
I
Q
A
A
L
K
E
--
A
G
L
T
A
S
D
I
D
A
V
A
Y
T
A
G
P
G
L
V
G
A
L
L
V
G
A
T
V
G
R
S
L
A
F
A
W
N
V
P
A
I
P
V
H
H
M
E
G
H
--
L
L
A
P
M
L
E
D
N
P
--
P
E
F
-----
P
F
V
A
L
L
-
V
S
G
G
H
---------
T
--
Q
L
I
S
V
T
G
--
I
-------------
G
Q
-----------------------
Y
-----------------
E
L
L
G
E
S
I
D
D
A
A
G
E
A
F
D
K
T
A
K
L
L
G
L
D
Y
----
P
G
--
G
P
M
L
S
K
M
A
---------
S
Q
G
T
A
G
R
--
F
V
F
P
R
P
M
T
D
R
P
G
---
L
D
F
S
F
S
G
L
K
T
F
A
A
N
T
I
R
S
N
G
G
--
D
E
Q
T
R
A
D
----
I
A
R
A
F
E
D
A
V
V
D
T
L
M
I
K
C
K
R
A
L
-----
E
S
T
G
F
K
R
L
V
M
A
G
G
V
S
A
N
R
T
L
R
A
K
L
A
E
M
M
Q
K
R
R
G
-
E
V
F
Y
A
R
P
E
F
C
T
D
N
G
A
M
I
A
Y
A
G
M
V
R
F
K
A
G
V
T
A
D
L
G
V
T
V
R
P
R
W
P
L
A
E
L
P
A
----
2
PsiBlast_PDB
89.86
33%
-96
- C4 -
3ZEU
4
?
B:
[3-314]
--
V
L
G
I
E
T
S
C
D
E
T
G
I
A
I
------
Y
D
D
K
K
G
L
L
--
A
--
N
Q
--
L
Y
S
Q
V
K
L
H
A
D
Y
G
G
V
V
P
E
L
A
S
R
D
H
V
-
R
K
T
V
P
L
----
I
Q
A
A
L
K
E
--
A
G
L
T
A
S
D
I
D
A
V
A
Y
T
A
G
P
G
L
V
G
A
L
L
V
G
A
T
V
G
R
S
L
A
F
A
W
N
V
P
A
I
P
V
H
H
M
E
G
H
--
L
L
A
P
M
L
E
D
N
P
--
P
E
F
-----
P
F
V
A
L
L
-
V
S
G
G
H
---------
T
--
Q
L
I
S
V
T
G
--
I
-------------
G
Q
-----------------------
Y
-----------------
E
L
L
G
E
S
I
D
D
A
A
G
E
A
F
D
K
T
A
K
L
L
G
L
D
Y
----
P
G
--
G
P
M
L
S
K
M
A
---------
S
Q
G
T
A
G
R
--
F
V
F
P
R
P
M
T
D
R
P
G
---
L
D
F
S
F
S
G
L
K
T
F
A
A
N
T
I
R
S
N
G
G
--
D
E
Q
T
R
A
D
----
I
A
R
A
F
E
D
A
V
V
D
T
L
M
I
K
C
K
R
A
L
-----
E
S
T
G
F
K
R
L
V
M
A
G
G
V
S
A
N
R
T
L
R
A
K
L
A
E
M
M
Q
K
R
R
G
-
E
V
F
Y
A
R
P
E
F
C
T
D
N
G
A
M
I
A
Y
A
G
M
V
R
F
K
A
G
V
T
A
D
L
G
V
T
V
R
P
R
W
P
L
A
E
L
P
A
----
1
PsiBlast_PDB
89.31
33%
-99
- C4 -
3ZET
2
?
B:
[3-314]
--
V
L
G
I
E
T
S
C
D
E
T
G
I
A
I
------
Y
D
D
K
K
G
L
L
--
A
--
N
Q
--
L
Y
S
Q
V
K
L
H
A
D
Y
G
G
V
V
P
E
L
A
S
R
D
H
V
-
R
K
T
V
P
L
----
I
Q
A
A
L
K
E
--
A
G
L
T
A
S
D
I
D
A
V
A
Y
T
A
G
P
G
L
V
G
A
L
L
V
G
A
T
V
G
R
S
L
A
F
A
W
N
V
P
A
I
P
V
H
H
M
E
G
H
--
L
L
A
P
M
L
E
D
N
P
--
P
E
F
-----
P
F
V
A
L
L
-
V
S
G
G
H
---------
T
--
Q
L
I
S
V
T
G
--
I
-------------
G
Q
-----------------------
Y
-----------------
E
L
L
G
E
S
I
D
D
A
A
G
E
A
F
D
K
T
A
K
L
L
G
L
D
Y
----
P
G
--
G
P
M
L
S
K
M
A
---------
S
Q
G
T
A
G
R
--
F
V
F
P
R
P
M
T
D
R
P
G
---
L
D
F
S
F
S
G
L
K
T
F
A
A
N
T
I
R
S
N
G
G
--
D
E
Q
T
R
A
D
----
I
A
R
A
F
E
D
A
V
V
D
T
L
M
I
K
C
K
R
A
L
-----
E
S
T
G
F
K
R
L
V
M
A
G
G
V
S
A
N
R
T
L
R
A
K
L
A
E
M
M
Q
K
R
R
G
-
E
V
F
Y
A
R
P
E
F
C
T
D
N
G
A
M
I
A
Y
A
G
M
V
R
F
K
A
G
V
T
A
D
L
G
V
T
V
R
P
R
W
P
L
A
E
L
P
A
----
4
PsiBlast_PDB
89.15
34%
-93
- C4 -
4YDU
7
TSAD_ECOLI
A:
[3-314]
--
V
L
G
I
E
T
S
C
D
E
T
G
I
A
I
----
Y
D
D
E
K
G
--
L
L
--
A
--
N
Q
--
L
Y
S
Q
V
K
L
H
A
D
Y
G
G
V
V
P
E
L
A
S
R
D
H
V
R
K
T
V
P
L
I
----
Q
A
A
L
K
E
S
GL
T
A
K
D
---
I
D
A
V
A
Y
T
A
G
P
G
L
V
G
A
L
L
V
G
A
T
V
G
R
S
L
A
F
A
W
D
V
P
A
I
P
V
H
H
M
E
G
H
--
L
L
A
P
M
L
E
D
N
P
--
P
E
F
-----
P
F
V
A
L
L
-
V
S
G
G
H
---------
T
--
Q
L
I
S
V
T
G
--
I
-------------
G
Q
-----------------------
Y
-----------------
E
L
L
G
E
S
I
D
D
A
A
G
E
A
F
D
K
T
A
K
L
L
G
L
D
Y
----
P
G
--
G
P
L
L
S
K
M
A
---------
A
Q
G
T
A
G
R
--
F
V
F
P
R
P
M
T
D
R
P
G
---
L
D
F
S
F
S
G
L
K
T
F
A
A
N
T
I
R
D
N
--
G
T
D
D
Q
T
R
A
D
----
I
A
R
A
F
E
D
A
V
V
D
T
L
M
I
K
C
K
R
A
L
-----
D
Q
T
G
F
K
R
L
V
M
A
G
G
V
S
A
N
R
T
L
R
A
K
L
A
E
M
M
K
K
R
R
G
-
E
V
F
Y
A
R
P
E
F
C
T
D
N
G
A
M
I
A
Y
A
G
M
V
R
F
K
A
G
A
T
A
D
L
G
V
S
V
R
P
R
W
P
L
A
E
L
P
A
----
26
HHSearch
89.04
31%
-85
- C4 -
3ZEU
5
?
B:
[2-334]
-
R
V
L
G
I
E
T
S
C
D
E
T
G
I
A
I
----
Y
D
D
K
K
-
G
-
L
L
--
A
--
N
Q
--
L
Y
S
Q
V
K
L
H
A
D
Y
G
G
V
V
P
E
L
A
S
R
D
H
V
-
R
K
T
V
P
L
----
I
Q
A
A
L
K
E
--
A
G
L
T
A
S
D
I
D
A
V
A
Y
T
A
G
P
G
L
V
G
A
L
L
V
G
A
T
V
G
R
S
L
A
F
A
W
N
V
P
A
I
P
V
H
H
M
E
G
H
--
L
L
A
P
M
L
E
D
N
P
PE
F
-
P
-----
F
V
A
L
L
V
-
S
G
G
H
T
---------
Q
---
L
I
S
V
T
G
--
I
-------------
G
Q
-----------------------
Y
-----------------
E
L
L
G
E
S
I
D
D
A
A
G
E
A
F
D
K
T
A
K
L
L
G
L
D
Y
----
P
G
--
G
P
M
L
S
K
M
A
---------
S
Q
G
T
A
--
G
R
F
V
F
P
R
P
M
T
D
R
P
G
---
L
D
F
S
F
S
G
L
K
T
F
A
A
N
T
I
R
S
N
--
G
G
D
E
Q
T
R
A
D
----
I
A
R
A
F
E
D
A
V
V
D
T
L
M
I
K
C
K
R
A
L
-----
E
S
T
G
F
K
R
L
V
M
A
G
G
V
S
A
N
R
T
L
R
A
K
L
A
E
M
M
Q
K
R
R
G
-
E
V
F
Y
A
R
P
E
F
C
T
D
N
G
A
M
I
A
Y
A
G
M
V
R
F
K
A
G
V
T
-
A
D
L
G
V
T
V
R
P
R
W
P
L
A
E
L
P
----
20
PsiBlast_CBE
88.87
34%
-92
- C4 -
4YDU
7
TSAD_ECOLI
B:
[3-314]
--
V
L
G
I
E
T
S
C
D
E
T
G
I
A
I
----
Y
D
D
E
K
G
--
L
L
--
A
--
N
Q
--
L
Y
S
Q
V
K
L
H
A
D
Y
G
G
V
V
P
E
L
A
S
R
D
H
V
R
K
T
V
P
L
I
----
Q
A
A
L
K
E
S
GL
T
A
K
D
---
I
D
A
V
A
Y
T
A
G
P
G
L
V
G
A
L
L
V
G
A
T
V
G
R
S
L
A
F
A
W
D
V
P
A
I
P
V
H
H
M
E
G
H
--
L
L
A
P
M
L
E
D
N
P
--
P
E
F
-----
P
F
V
A
L
L
-
V
S
G
G
H
---------
T
--
Q
L
I
S
V
T
G
--
I
-------------
G
Q
-----------------------
Y
-----------------
E
L
L
G
E
S
I
D
D
A
A
G
E
A
F
D
K
T
A
K
L
L
G
L
D
Y
----
P
G
--
G
P
L
L
S
K
M
A
---------
A
Q
G
T
A
G
R
--
F
V
F
P
R
P
M
T
D
R
P
G
---
L
D
F
S
F
S
G
L
K
T
F
A
A
N
T
I
R
D
N
--
G
T
D
D
Q
T
R
A
D
----
I
A
R
A
F
E
D
A
V
V
D
T
L
M
I
K
C
K
R
A
L
-----
D
Q
T
G
F
K
R
L
V
M
A
G
G
V
S
A
N
R
T
L
R
A
K
L
A
E
M
M
K
K
R
R
G
-
E
V
F
Y
A
R
P
E
F
C
T
D
N
G
A
M
I
A
Y
A
G
M
V
R
F
K
A
G
A
T
A
D
L
G
V
S
V
R
P
R
W
P
L
A
E
L
P
A
----
21
PsiBlast_CBE
88.27
34%
-94
- C4 -
4WQ4
4
TSAD_ECOLI
B:
[3-314]
--
V
L
G
I
E
T
S
C
D
A
T
G
I
A
I
----
Y
D
D
E
K
G
--
L
L
--
A
--
N
Q
--
L
Y
S
Q
V
K
L
H
A
D
Y
G
G
V
V
P
E
L
A
S
R
D
H
V
R
K
T
V
P
L
I
----
Q
A
A
L
K
E
S
GL
T
A
K
D
---
I
D
A
V
A
Y
T
A
G
P
G
L
V
G
A
L
L
V
G
A
T
V
G
R
S
L
A
F
A
W
D
V
P
A
I
P
V
H
H
M
E
G
H
--
L
L
A
P
M
L
E
D
N
P
--
P
E
F
-----
P
F
V
A
L
L
-
V
S
G
G
H
---------
T
--
Q
L
I
S
V
T
G
--
I
-------------
G
Q
-----------------------
Y
-----------------
E
L
L
G
E
S
I
D
D
A
A
G
E
A
F
D
K
T
A
K
L
L
G
L
D
Y
----
P
G
--
G
P
L
L
S
K
M
A
---------
A
Q
G
T
A
G
R
--
F
V
F
P
R
P
M
T
D
R
P
G
---
L
D
F
S
F
S
G
L
K
T
F
A
A
N
T
I
R
D
N
--
G
T
D
D
Q
T
R
A
D
----
I
A
R
A
F
E
D
A
V
V
D
T
L
M
I
K
C
K
R
A
L
-----
D
Q
T
G
F
K
R
L
V
M
A
G
G
V
S
A
N
R
T
L
R
A
K
L
A
E
M
M
K
K
R
R
G
-
E
V
F
Y
A
R
P
E
F
C
T
D
N
G
A
M
I
A
Y
A
G
M
V
R
F
K
A
G
A
T
A
D
L
G
V
S
V
R
P
R
W
P
L
A
E
L
P
A
----
5
PsiBlast_PDB
88.13
34%
-94
- C4 -
4WQ4
3
TSAD_ECOLI
A:
[3-314]
--
V
L
G
I
E
T
S
C
D
A
T
G
I
A
I
----
Y
D
D
E
K
G
--
L
L
--
A
--
N
Q
--
L
Y
S
Q
V
K
L
H
A
D
Y
G
G
V
V
P
E
L
A
S
R
D
H
V
R
K
T
V
P
L
I
----
Q
A
A
L
K
E
S
GL
T
A
K
D
---
I
D
A
V
A
Y
T
A
G
P
G
L
V
G
A
L
L
V
G
A
T
V
G
R
S
L
A
F
A
W
D
V
P
A
I
P
V
H
H
M
E
G
H
--
L
L
A
P
M
L
E
D
N
P
--
P
E
F
-----
P
F
V
A
L
L
-
V
S
G
G
H
---------
T
--
Q
L
I
S
V
T
G
--
I
-------------
G
Q
-----------------------
Y
-----------------
E
L
L
G
E
S
I
D
D
A
A
G
E
A
F
D
K
T
A
K
L
L
G
L
D
Y
----
P
G
--
G
P
L
L
S
K
M
A
---------
A
Q
G
T
A
G
R
--
F
V
F
P
R
P
M
T
D
R
P
G
---
L
D
F
S
F
S
G
L
K
T
F
A
A
N
T
I
R
D
N
--
G
T
D
D
Q
T
R
A
D
----
I
A
R
A
F
E
D
A
V
V
D
T
L
M
I
K
C
K
R
A
L
-----
D
Q
T
G
F
K
R
L
V
M
A
G
G
V
S
A
N
R
T
L
R
A
K
L
A
E
M
M
K
K
R
R
G
-
E
V
F
Y
A
R
P
E
F
C
T
D
N
G
A
M
I
A
Y
A
G
M
V
R
F
K
A
G
A
T
A
D
L
G
V
S
V
R
P
R
W
P
L
A
E
L
P
A
----
3
PsiBlast_PDB
87.72
34%
-97
- C4 -
4WQ5
5
TSAD_ECOLI
A:
[3-314]
--
V
L
G
I
E
T
S
C
D
E
T
G
I
A
I
----
Y
D
D
E
K
G
--
L
L
--
A
--
N
Q
--
L
Y
S
Q
V
K
L
H
A
D
Y
G
G
V
V
P
E
L
A
S
R
D
H
V
R
K
T
V
P
L
I
----
Q
A
A
L
K
E
S
GL
T
A
K
D
---
I
D
A
V
A
Y
T
A
G
P
G
L
E
G
A
L
L
V
G
A
T
V
G
R
S
L
A
F
A
W
D
V
P
A
I
P
V
H
H
M
E
G
H
--
L
L
A
P
M
L
E
D
N
P
--
P
E
F
-----
P
F
V
A
L
L
-
V
S
G
G
H
---------
T
--
Q
L
I
S
V
T
G
--
I
-------------
G
Q
-----------------------
Y
-----------------
E
L
L
G
E
S
I
D
D
A
A
G
E
A
F
D
K
T
A
K
L
L
G
L
D
Y
----
P
G
--
G
P
L
L
S
K
M
A
---------
A
Q
G
T
A
G
R
--
F
V
F
P
R
P
M
T
D
R
P
G
---
L
D
F
S
F
S
G
L
K
T
F
A
A
N
T
I
R
D
N
--
G
T
D
D
Q
T
R
A
D
----
I
A
R
A
F
E
D
A
V
V
D
T
L
M
I
K
C
K
R
A
L
-----
D
Q
T
G
F
K
R
L
V
M
A
G
G
V
S
A
N
R
T
L
R
A
K
L
A
E
M
M
K
K
R
R
G
-
E
V
F
Y
A
R
P
E
F
C
T
D
N
G
A
M
I
A
Y
A
G
M
V
R
F
K
A
G
A
T
A
D
L
G
V
S
V
R
P
R
W
P
L
A
--------
19
PsiBlast_CBE
86.75
34%
-93
- C4 -
4WQ5
4
TSAD_ECOLI
B:
[3-314]
--
V
L
G
I
E
T
S
C
D
E
T
G
I
A
I
----
Y
D
D
E
K
G
--
L
L
--
A
--
N
Q
--
L
Y
S
Q
V
K
L
H
A
D
Y
G
G
V
V
P
E
L
A
S
R
D
H
V
R
K
T
V
P
L
I
----
Q
A
A
L
K
E
S
GL
T
A
K
D
---
I
D
A
V
A
Y
T
A
G
P
G
L
E
G
A
L
L
V
G
A
T
V
G
R
S
L
A
F
A
W
D
V
P
A
I
P
V
H
H
M
E
G
H
--
L
L
A
P
M
L
E
D
N
P
--
P
E
F
-----
P
F
V
A
L
L
-
V
S
G
G
H
---------
T
--
Q
L
I
S
V
T
G
--
I
-------------
G
Q
-----------------------
Y
-----------------
E
L
L
G
E
S
I
D
D
A
A
G
E
A
F
D
K
T
A
K
L
L
G
L
D
Y
----
P
G
--
G
P
L
L
S
K
M
A
---------
A
Q
G
T
A
G
R
--
F
V
F
P
R
P
M
T
D
R
P
G
---
L
D
F
S
F
S
G
L
K
T
F
A
A
N
T
I
R
D
N
--
G
T
D
D
Q
T
R
A
D
----
I
A
R
A
F
E
D
A
V
V
D
T
L
M
I
K
C
K
R
A
L
-----
D
Q
T
G
F
K
R
L
V
M
A
G
G
V
S
A
N
R
T
L
R
A
K
L
A
E
M
M
K
K
R
R
G
-
E
V
F
Y
A
R
P
E
F
C
T
D
N
G
A
M
I
A
Y
A
G
M
V
R
F
K
A
G
A
T
A
D
L
G
V
S
V
R
P
R
W
P
L
A
E
L
P
A
----
6
PsiBlast_PDB
85.41
29%
-93
- C4 -
3WUH
2
QRI7_YEAST
A:
[11-363]
--
V
L
A
I
E
T
S
C
D
D
T
C
V
S
V
L
D
RF
S
K
S
A
A
P
N
-
V
L
--
A
--
N
L
--
K
D
T
L
D
------------
K
A
H
I
H
H
Q
-
A
R
I
G
P
L
----
T
E
R
A
L
I
E
--
S
N
A
R
-
E
G
I
D
L
I
C
V
T
R
G
P
G
M
P
G
S
L
S
G
G
L
D
F
A
K
G
L
A
V
A
W
N
K
P
L
I
G
V
H
H
M
L
G
H
L
L
I
P
R
M
G
T
N
G
K
V
--
P
Q
F
-----
P
F
V
S
L
L
-
V
S
G
G
H
---------
T
--
T
F
V
L
S
R
A
--
I
-------------
D
D
-----------------------
H
-----------------
E
I
L
C
D
T
I
D
I
A
V
G
D
S
L
D
K
C
G
R
--
E
L
G
F
----
K
G
--
T
M
I
A
R
E
M
E
K
F
I
N
Q
D
IND
Q
D
F
A
L
---
K
L
E
M
P
--------RN
M
L
S
F
S
F
S
A
F
I
T
A
L
R
T
N
L
T
K
L
G
K
T
-----
P
E
R
E
I
R
S
I
A
Y
Q
V
Q
E
S
V
F
D
H
I
I
N
K
L
K
H
V
L
K
S
Q
PE
K
F
K
N
V
R
E
F
V
C
S
G
G
V
S
S
N
Q
R
L
R
T
K
L
E
T
E
L
-----F
N
F
Y
Y
P
P
M
D
L
C
S
D
N
S
I
M
I
G
W
A
G
I
E
I
W
E
S
L
R
L
V
--
S
D
L
D
I
C
P
I
R
Q
W
P
L
N
D
----
47
Fugue
83.98
25%
-88
- C4 -
2IVN
3
KAE1_PYRAB
A:
[1-325]
M
L
A
L
G
I
E
G
T
A
H
T
L
G
I
G
I
----
V
S
--
E
D
K
-
V
L
--
A
--
N
V
--
F
D
T
---
L
T
T
E
K
G
G
I
H
P
K
E
A
A
E
H
H
A
-
R
L
M
K
P
L
----
L
R
K
A
L
S
E
--
A
G
V
S
L
D
D
I
D
V
I
A
F
S
Q
G
P
G
L
G
P
A
L
R
V
V
A
T
A
A
R
A
L
A
V
K
Y
R
K
P
I
V
G
V
N
H
C
I
A
H
--
V
E
I
T
K
M
F
G
V
K
----------
D
P
V
G
L
Y
-
V
S
G
G
N
---------
T
--
Q
V
L
A
L
E
G
----------------
G
R
-----------------------
Y
-----------------
R
V
F
G
E
T
L
D
I
G
I
G
N
A
I
D
V
F
A
R
E
L
G
L
G
F
----
P
G
--
G
P
K
V
E
K
L
A
---------
E
K
---
G
E
K
Y
I
E
L
P
Y
A
V
K
G
------
M
D
L
S
F
S
G
L
L
T
E
A
I
R
K
Y
R
S
G
K
Y
R
-----
V
E
D
----
L
A
Y
S
F
Q
E
T
A
F
A
A
L
V
E
V
T
E
R
A
V
-----
A
H
T
E
K
D
E
V
V
L
V
G
G
V
A
A
N
N
R
L
R
E
M
L
R
I
M
T
E
D
R
G
I
-
K
F
F
V
P
P
Y
D
L
C
R
D
N
G
A
M
I
A
Y
T
G
L
R
M
Y
K
A
G
I
S
F
R
L
E
E
T
I
V
K
Q
K
F
R
T
D
E
V
E
IVWH
28
HHSearch
81.76
25%
-91
- C4 -
2IVN
3
KAE1_PYRAB
A:
[2-321]
-
L
A
L
G
I
E
G
T
A
H
T
L
G
I
G
I
----
V
S
E
D
--
K
-
V
L
--
A
N
V
F
D
--
T
L
T
T
E
K
-----
G
G
I
H
P
K
E
A
A
E
H
H
A
-
R
L
M
K
P
L
----
L
R
K
A
L
S
E
--
A
G
V
S
L
D
D
I
D
V
I
A
F
S
Q
G
P
G
L
G
P
A
L
R
V
V
A
T
A
A
R
A
L
A
V
K
Y
R
K
P
I
V
G
V
N
H
C
I
A
H
--
V
E
I
T
K
M
F
G
V
---
K
-
D
-----
P
V
G
L
Y
V
-
S
-
G
G
N
---------
T
--
Q
V
L
A
L
E
G
----------------
G
R
-----------------------
Y
-----------------
R
V
F
G
E
T
L
D
I
G
I
G
N
A
I
D
V
F
A
R
E
L
G
L
G
F
----
P
G
--
G
P
K
V
E
K
L
A
---------
E
K
G
E
K
Y
---
I
E
L
P
Y
A
V
---
K
G
---
M
D
L
S
F
S
G
L
L
T
E
A
I
R
K
Y
R
S
-----
G
K
Y
R
V
E
D
----
L
A
Y
S
F
Q
E
T
A
F
A
A
L
V
E
V
T
E
R
A
V
-----
A
H
T
E
K
D
E
V
V
L
V
G
G
V
A
A
N
N
R
L
R
E
M
L
R
I
M
T
E
D
R
G
I
-
K
F
F
V
P
P
Y
D
L
C
R
D
N
G
A
M
I
A
Y
T
G
L
R
M
Y
K
A
G
I
S
F
R
L
E
E
T
I
V
K
Q
K
F
R
T
D
E
V
E
----
11
PsiBlast_PDB
81.28
25%
-94
- C4 -
3ENO
1
KAE1B_THEAC
A:
[7-319]
-
I
V
L
G
L
E
G
T
A
H
T
I
S
C
G
I
------
I
D
E
S
R
-
I
L
--
A
-------
M
E
S
S
M
Y
R
P
K
T
G
G
I
R
P
L
D
A
A
V
H
H
S
-
E
V
I
D
T
V
I
S
R
A
L
E
K
A
K
I
S
--
I
H
D
----
I
D
L
I
G
F
S
M
G
P
G
L
A
P
S
L
R
V
T
A
T
A
A
R
T
I
S
V
L
T
G
K
P
I
I
G
V
N
H
P
L
G
H
--
I
E
---
I
G
R
R
V
--
T
G
A
-----
I
D
P
V
M
L
Y
V
S
G
G
N
---------
T
--
Q
V
I
-
A
H
V
--
N
-------------
G
R
-----------------------
Y
-----------------
R
V
L
G
E
T
L
D
I
G
I
G
N
M
I
D
K
F
A
R
E
A
G
I
P
F
----
P
G
--
G
P
E
I
E
K
L
A
---------
M
---
K
G
T
K
L
L
D
L
P
Y
S
V
K
G
------
M
D
T
A
F
S
G
I
L
T
A
A
-
L
Q
Y
L
K
T
G
Q
A
I
E
D
---------
I
S
Y
S
I
Q
E
T
A
F
A
M
L
V
E
V
L
E
R
A
L
-----
Y
V
S
G
K
D
E
I
L
M
A
G
G
V
A
L
N
R
R
L
R
D
M
V
T
N
M
A
R
E
A
G
I
-
R
S
Y
L
T
D
R
E
Y
C
M
D
N
G
I
M
I
A
Q
A
A
L
L
M
Y
K
S
G
V
R
M
S
V
E
E
T
A
V
N
P
R
F
R
I
D
E
V
D
----
27
HHSearch
79.82
26%
-91
* C4 *
3EN9
1
KAE1B_METJA
A:
[7-322]
-
I
C
L
G
L
E
G
T
A
E
K
T
G
V
G
I
----
V
T
S
D
G
-
E
-
V
L
F
N
K
--
T
I
--
M
Y
K
P
P
K
-
Q
----
G
I
N
P
R
E
A
A
D
H
H
A
-
E
T
F
P
K
L
----
I
K
E
A
F
E
V
----
V
D
K
N
E
I
D
L
I
A
F
S
Q
G
P
G
L
G
P
S
L
R
V
T
A
T
V
A
R
T
L
S
L
T
L
K
K
P
I
I
G
V
N
H
C
I
A
H
--
I
E
I
G
K
L
T
T
E
---
A
-
E
-----
D
P
L
T
L
Y
-
V
S
G
G
N
---------
T
--
Q
V
I
A
Y
V
S
----------------
K
K
-----------------------
Y
-----------------
R
V
F
G
E
T
L
D
I
A
V
G
N
C
L
D
Q
F
A
R
Y
V
N
L
P
H
----
P
G
--
G
P
Y
I
E
E
L
A
---------
R
K
G
K
K
L
-
V
D
L
--
P
Y
T
V
---
K
G
---
M
D
I
A
F
S
G
L
L
T
A
A
M
R
A
Y
------
D
A
G
E
R
L
E
D
----
I
C
Y
S
L
Q
E
Y
A
F
S
M
L
T
E
I
T
E
R
A
L
-----
A
H
T
N
K
G
E
V
M
L
V
G
G
V
A
A
N
N
R
L
R
E
M
L
K
A
M
C
E
G
Q
N
V
-
D
F
Y
V
P
P
K
E
F
C
G
D
N
G
A
M
I
A
W
L
G
L
L
M
H
K
N
G
R
W
M
S
L
D
E
T
K
I
I
P
N
Y
R
T
D
M
V
E
----
8
PsiBlast_PDB
78.76
26%
-91
- C4 -
2IVN
3
KAE1_PYRAB
A:
[2-299]
-
L
A
L
G
I
E
G
T
A
--
H
T
L
G
I
----
G
I
V
S
E
D
K
-
V
L
--
A
--
N
V
F
D
T
L
T
T
E
K
-----
G
G
I
H
P
K
E
A
A
E
H
H
A
-
R
L
M
K
P
L
----
L
R
K
A
L
S
E
--
A
G
V
S
L
D
D
I
D
V
I
A
F
S
Q
G
P
G
L
G
P
A
L
R
V
V
A
T
A
A
R
A
L
A
V
K
Y
R
K
P
I
V
G
V
N
H
C
I
A
H
--
V
-------
E
I
--
T
K
M
F
GVKD
P
V
G
-
L
Y
-
V
S
G
G
N
---------
T
Q
V
L
A
L
E
G
G
R
--
Y
--------------------------------------------------------
R
V
F
G
E
T
L
D
I
G
I
G
N
A
I
D
V
F
A
R
E
L
G
L
G
F
----
P
G
--
G
P
K
V
E
K
L
A
------------
E
K
G
E
K
Y
I
E
L
P
Y
A
V
K
---
G
---
M
D
L
S
F
S
G
L
L
T
E
A
I
R
K
Y
R
S
G
K
Y
R
V
E
D
---------
L
A
Y
S
F
Q
E
T
A
F
A
A
L
V
E
V
T
E
R
A
V
-----
A
H
T
E
K
D
E
V
V
L
V
G
G
V
A
A
N
N
R
L
R
E
M
L
R
I
M
T
E
D
R
G
I
-
K
F
F
V
P
P
Y
D
L
C
R
D
N
G
A
M
I
A
Y
T
G
L
R
M
Y
K
A
G
I
S
F
R
L
E
E
T
I
V
K
Q
K
F
R
T
D
E
V
E
----
9
PsiBlast_PDB
78.62
26%
-90
- C4 -
2IVO
3
KAE1_PYRAB
A:
[2-299]
-
L
A
L
G
I
E
G
T
A
--
H
T
L
G
I
----
G
I
V
S
E
D
K
-
V
L
--
A
--
N
V
F
D
T
L
T
T
E
K
-----
G
G
I
H
P
K
E
A
A
E
H
H
A
-
R
L
M
K
P
L
----
L
R
K
A
L
S
E
--
A
G
V
S
L
D
D
I
D
V
I
A
F
S
Q
G
P
G
L
G
P
A
L
R
V
V
A
T
A
A
R
A
L
A
V
K
Y
R
K
P
I
V
G
V
N
H
C
I
A
H
--
V
-------
E
I
--
T
K
M
F
GVKD
P
V
G
-
L
Y
-
V
S
G
G
N
---------
T
Q
V
L
A
L
E
G
G
R
--
Y
--------------------------------------------------------
R
V
F
G
E
T
L
D
I
G
I
G
N
A
I
D
V
F
A
R
E
L
G
L
G
F
----
P
G
--
G
P
K
V
E
K
L
A
------------
E
K
G
E
K
Y
I
E
L
P
Y
A
V
K
---
G
---
M
D
L
S
F
S
G
L
L
T
E
A
I
R
K
Y
R
S
G
K
Y
R
V
E
D
---------
L
A
Y
S
F
Q
E
T
A
F
A
A
L
V
E
V
T
E
R
A
V
-----
A
H
T
E
K
D
E
V
V
L
V
G
G
V
A
A
N
N
R
L
R
E
M
L
R
I
M
T
E
D
R
G
I
-
K
F
F
V
P
P
Y
D
L
C
R
D
N
G
A
M
I
A
Y
T
G
L
R
M
Y
K
A
G
I
S
F
R
L
E
E
T
I
V
K
Q
K
F
R
T
D
E
V
E
----
10
PsiBlast_PDB
77.52
26%
-92
- C4 -
2IVP
2
KAE1_PYRAB
A:
[2-299]
-
L
A
L
G
I
E
G
T
A
--
H
T
L
G
I
----
G
I
V
S
E
D
K
-
V
L
--
A
--
N
V
F
D
T
L
T
T
E
K
-----
G
G
I
H
P
K
E
A
A
E
H
H
A
-
R
L
M
K
P
L
----
L
R
K
A
L
S
E
--
A
G
V
S
L
D
D
I
D
V
I
A
F
S
Q
G
P
G
L
G
P
A
L
R
V
V
A
T
A
A
R
A
L
A
V
K
Y
R
K
P
I
V
G
V
N
H
C
I
A
H
--
V
-------
E
I
--
T
K
M
F
GVKD
P
V
G
-
L
Y
-
V
S
G
G
N
---------
T
Q
V
L
A
L
E
G
G
R
--
Y
--------------------------------------------------------
R
V
F
G
E
T
L
D
I
G
I
G
N
A
I
D
V
F
A
R
E
L
G
L
G
F
----
P
G
--
G
P
K
V
E
K
L
A
------------
E
K
G
E
K
Y
I
E
L
P
Y
A
V
K
---
G
---
M
D
L
S
F
S
G
L
L
T
E
A
I
R
K
Y
R
S
G
K
Y
R
V
E
D
---------
L
A
Y
S
F
Q
E
T
A
F
A
A
L
V
E
V
T
E
R
A
V
-----
A
H
T
E
K
D
E
V
V
L
V
G
G
V
A
A
N
N
R
L
R
E
M
L
R
I
M
T
E
D
R
G
I
-
K
F
F
V
P
P
Y
D
L
C
R
D
N
G
A
M
I
A
Y
T
G
L
R
M
Y
K
A
G
I
S
F
R
L
E
E
T
I
V
K
Q
K
F
R
T
D
E
V
E
----
7
PsiBlast_PDB
76.46
27%
-97
- C4 -
3EN9
1
KAE1B_METJA
A:
[43-317]
----------------------------------------------------
G
I
N
P
R
E
A
A
D
H
H
A
-
E
T
F
P
K
L
----
I
K
E
A
F
E
V
--
V
D
K
N
--
E
I
D
L
I
A
F
S
Q
G
P
G
L
G
P
S
L
R
V
T
A
T
V
A
R
T
L
S
L
T
L
K
K
P
I
I
G
V
N
H
C
I
A
H
--
I
-
E
I
G
K
L
T
T
E
--
A
E
D
-----
P
L
T
-
L
Y
-
V
S
G
G
N
---------
T
--
Q
V
I
-
A
Y
V
--
S
-------------
K
K
-----------------------
Y
-----------------
R
V
F
G
E
T
L
D
I
A
V
G
N
C
L
D
Q
F
A
R
Y
V
N
L
P
H
----
P
G
--
G
P
Y
I
E
E
L
A
------------
R
K
G
K
K
L
V
D
L
P
Y
T
V
K
G
------
M
D
I
A
F
S
G
L
-----
L
T
A
A
M
R
A
Y
D
A
G
E
R
L
-
E
D
----
I
C
Y
S
L
Q
E
Y
A
F
S
M
L
T
E
I
T
E
R
A
L
-----
A
H
T
N
K
G
E
V
M
L
V
G
G
V
A
A
N
N
R
L
R
E
M
L
K
A
M
C
E
G
Q
N
V
-
D
F
Y
V
P
P
K
E
F
C
G
D
N
G
A
M
I
A
W
L
G
L
L
M
H
K
N
G
R
W
M
S
L
D
E
T
K
I
I
P
N
Y
R
T
D
M
V
E
----
30
HHSearch
60.61
17%
-85
- C4 -
3VTH
10
?
A:
[453-751]
------------------------------------------------------------------------------------------
D
P
E
V
V
A
H
D
M
H
K
G
Y
L
S
T
-----
Q
Y
A
K
S
----
L
D
L
P
K
I
E
V
Q
H
H
H
A
H
--
I
A
S
C
M
A
E
H
N
---
L
D
E
-----
K
V
I
G
I
A
-
Y
D
G
T
G
YGTDG
N
V
W
G
A
--
E
I
L
V
C
D
L
K
S
F
E
R
I
A
HLK
Y
K
P
L
P
G
N
E
L
A
I
KK
I
Y
R
T
A
L
G
F
I
FDNISFY
K
N
F
V
E
Q
VD
S
R
E
L
D
I
I
L
K
Q
I
D
R
K
I
N
T
A
Y
V
S
S
M
G
R
F
F
D
A
V
A
A
L
I
G
V
R
K
EVLF
E
G
Q
A
A
M
E
L
E
S
L
M
---------
A
E
S
E
E
Y
---
Y
E
Y
E
I
--
L
K
E
D
R
---
Y
V
I
D
P
E
L
I
L
R
Q
I
Y
E
D
Y
M
K
------
G
F
E
K
S
Y
----
I
S
A
K
F
H
N
T
V
V
N
F
T
Y
D
L
A
N
L
I
R
-----
K
E
T
G
I
N
K
V
V
L
S
G
G
S
F
Q
N
R
Y
L
L
R
R
L
I
E
K
L
S
L
S
G
F
-
E
V
Y
S
N
S
K
V
P
C
N
D
G
G
I
S
L
G
Q
A
V
I
A
N
K
I
L
E
G
S
A
W
S
-------------------