@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 : Lmo1987: (2016-03-30 )
MKKIQFFDTTLRDGEQTPGVNFDVKEKIQIALQLEKLGIDVIEAGFPISSPGDFECVKAIAKAIKHCSVTGLARCVEGDIDRAEEALKDAVSPQIHIFLATSDVHMEYKLKMSRAEVLASIKHHISYARQKFEVVQFSPEDATRSDRAFLIEAVQTAIDAGATVINIPDTVGYTNPTEFGQLFQDLRREIKQFDDITFASHCHDDLGMATANALAAIENGARRVEGTINGIGERAGNTALEEVAVALHIRKDFYQAETNIVLNQFKNSSDLISRLSGMPVPRNKAVIGGNAYAHESGIHQDGVLKNPDTYEIITPALVGVDKNSLPLGKLSGKHAFNTRMEEMGYTLTEQEQKDAFKRFKQLADAKKEVTEEDLHALILGQSSESADDFELKHLQVQYVTGGVQGAIVRIEERDGALVEDAATGSGSIEAIYNTINRLMKQDIELTDYRIQAITAGQDAQAEVHVVIKNDKGAEFHGIGIDFDVLTASAKAYLQASGKSKTASKQADFEEVK
Atome Classification :
(20 SA)
---------------------------------------------------.........10........20...-.....30-...-...-..40........50........60.--..---.------.-...70........80........90........100.......110.......--------120.......130.-------.---.....140-...---..--....150.......160.------..----------....170.-......180...-....190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300...----...--------------------.-310.......-320------..-....-.330.......340.....-...350.......360.--....--..370.-......380.......390.........400...--....410.......420.......430.......440.......450.-......460.......470.......480.......490.......500.......510
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------------------------------------------M
K
K
I
Q
F
FDTTLRDGEQTPGVN
F
D
V
-
K
E
K
I
Q
I
A
-
L
Q
L
-
E
K
L-G
I
D
V
IEAGFPISSPG
D
F
E
C
V
K
A
I
A
K
--
A
I
---
K
------
H
-
C
S
V
T
G
L
A
R
C
V
EG
D
I
D
R
A
E
E
A
L
K
D
AVSP
Q
I
H
I
F
L
ATS
D
V
H
M
E
Y
K
L
K
M
S
R
A
E
V
L
A
--------
S
I
K
H
H
I
S
Y
A
R
Q
K
F
E
-------
V
---
V
Q
FSPE---DAT---RS--
D
R
A
F
L
I
E
A
V
Q
T
A
I
DAG
A
T
------
V
I
----------NIPDTVGY-T
N
P
T
E
F
G
Q
L
F
Q
D
-
L
R
R
E
I
K
Q
FDDI
T
F
A
S
HC
H
D
D
L
G
M
A
T
A
N
A
L
A
A
I
ENG
A
R
R
V
E
G
T
INGIGERAG
N
T
A
L
E
E
V
A
V
A
L
H
I
R
K
D
F
Y
QAE
T
N
I
V
L
N
QFK
N
S
S
D
L
I
S
R
LSGMPVPRN
K
A
V
IGGNAYAHESGIHQDGVLK----NPD--------------------T-
Y
E
I
I
T
P
A
LVG-VDK------NS-LPLG-KLSGK
H
A
F
N
T
R
M
E
-EMGYT-L
T
E
Q
E
Q
K
D
A
F
K
R
F
K
Q
L
A
--
D
A
K
K
--
E
V
T
E
E
D
-
L
H
A
L
I
LGQSSESADDF
E
--
L
K
H
L
Q
V
Q
Y
VTGGVQ
G
--
A
I
V
R
I
EERDG
A
L
V
E
DAATGSG
S
I
E
A
I
Y
N
T
I
N
R
L
M
K
QDIEL
T
D
Y
R
I
Q
A
I
-TAGQDA
Q
A
E
V
H
V
V
I
KNDKGA
E
F
HG
I
G
I
D
F
D
V
L
T
A
S
A
K
A
Y
L
QASGKSKTASKQADFEEVK
22
HHSearch
87.02
50%
-79
- C2 -
3RMJ
4
LEU1_NEIMB
A:
[10-330]
---------------------------------------------------
T
N
R
V
I
I
F
D
T
T
L
R
D
G
E
Q
S
P
G
A
A
M
T
K
-
E
E
K
I
R
V
A
-
R
Q
L
-
E
K
L
-
G
V
D
I
I
E
A
G
F
A
A
A
S
P
G
D
F
E
A
V
N
A
I
A
K
--
T
I
---
T
------
K
-
S
T
V
C
S
L
S
R
A
I
E
R
D
I
R
Q
A
G
E
A
V
A
P
A
P
K
K
R
I
H
T
F
I
A
T
S
P
I
H
M
E
Y
K
L
K
M
K
P
K
Q
V
I
E
--------
A
A
V
K
A
V
K
I
A
R
E
Y
T
D
-------
D
---
V
E
F
S
C
E
---
D
A
L
---
R
S
--
E
I
D
F
L
A
E
I
C
G
A
V
I
E
A
G
A
T
------
T
I
----------
N
I
P
D
T
V
G
Y
-
S
I
P
Y
K
T
E
E
F
F
R
E
-
L
I
A
K
T
P
N
G
G
K
V
V
W
S
A
H
C
H
N
D
L
G
L
A
V
A
N
S
L
A
A
L
K
G
G
A
R
Q
V
E
C
T
V
N
G
L
G
E
R
A
G
N
A
S
V
E
E
I
V
M
A
L
K
V
R
H
D
L
F
G
L
E
T
G
I
D
T
T
Q
I
V
P
S
S
K
L
V
S
T
I
T
G
Y
P
V
Q
P
N
K
A
I
V
G
A
N
A
F
S
------------------
E
--------------------
T
-
Y
E
I
M
S
A
E
S
V
G
-
W
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
86.96
50%
-80
- C2 -
3RMJ
4
LEU1_NEIMB
A:
[12-330]
-----------------------------------------------------
R
V
I
I
F
D
T
T
L
R
D
G
E
Q
S
P
G
A
A
M
T
K
-
E
E
K
I
R
V
A
-
R
Q
L
-
E
K
L
-
G
V
D
I
I
E
A
G
F
A
A
A
S
P
G
D
F
E
A
V
N
A
I
A
K
--
T
I
---
T
------
K
-
S
T
V
C
S
L
S
R
A
I
E
R
D
I
R
Q
A
G
E
A
V
A
P
A
P
K
K
R
I
H
T
F
I
A
T
S
P
I
H
M
E
Y
K
L
K
M
K
P
K
Q
V
I
E
--------
A
A
V
K
A
V
K
I
A
R
E
Y
T
D
-------
D
---
V
E
F
S
C
E
---
D
A
L
---
R
S
--
E
I
D
F
L
A
E
I
C
G
A
V
I
E
A
G
A
T
------
T
I
----------
N
I
P
D
T
V
G
Y
-
S
I
P
Y
K
T
E
E
F
F
R
E
-
L
I
A
K
T
P
N
G
G
K
V
V
W
S
A
H
C
H
N
D
L
G
L
A
V
A
N
S
L
A
A
L
K
G
G
A
R
Q
V
E
C
T
V
N
G
L
G
E
R
A
G
N
A
S
V
E
E
I
V
M
A
L
K
V
R
H
D
L
F
G
L
E
T
G
I
D
T
T
Q
I
V
P
S
S
K
L
V
S
T
I
T
G
Y
P
V
Q
P
N
K
A
I
V
G
A
N
A
F
S
------------------
E
--------------------
T
-
Y
E
I
M
S
A
E
S
V
G
-
W
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
84.26
35%
-68
- C2 -
4OV4
2
?
A:
[23-408]
---------------------------------------------------
P
K
T
I
H
I
Q
D
V
T
L
R
D
G
N
Q
A
L
K
R
P
W
T
I
-
D
E
K
I
E
V
F
-
D
L
L
-
V
E
L
-
N
V
D
G
I
E
V
G
F
P
S
S
N
E
T
E
F
H
T
C
Q
V
L
S
K
R
-
A
P
---
K
------
G
-
K
P
I
A
A
L
S
R
A
N
Q
N
E
I
A
V
T
W
E
A
I
Q
K
A
D
C
P
R
M
H
I
V
Y
P
V
S
D
F
S
I
K
H
V
L
K
I
S
E
K
E
V
L
Q
--------
K
I
R
N
S
I
S
F
A
R
S
I
V
G
PG
I
----
E
---
I
Q
F
S
G
E
---
H
F
G
---
D
A
IE
N
F
A
F
T
K
E
A
F
L
T
A
I
E
A
G
A
N
------
I
I
----------
N
L
P
N
T
V
E
R
-
Y
R
P
M
V
F
V
N
M
V
K
E
-
I
K
D
V
V
K
--
D
K
A
I
I
S
I
H
T
H
N
D
L
G
M
A
T
A
T
S
V
E
S
V
Y
V
G
A
E
Q
I
E
V
A
L
N
G
L
G
E
R
A
G
N
T
N
L
Y
E
T
A
I
A
L
H
Q
N
G
E
----
N
L
N
I
N
F
Q
R
I
Y
P
T
A
K
R
I
S
E
L
T
G
I
P
I
G
E
K
T
P
I
I
G
E
D
I
F
S
H
R
S
G
I
H
Q
H
---
Q
----
S
K
G
--------------------
A
-
Y
R
T
F
S
P
E
F
V
G
R
M
D
K
------
E
T
-
I
S
F
T
-
N
Q
S
G
H
K
A
I
E
F
L
L
H
-
Q
R
G
I
Q
-
V
S
K
E
G
I
H
H
L
F
S
L
A
K
S
I
S
S
R
E
N
N
R
--
E
I
T
E
A
E
-
L
V
A
L
S
Q
------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
84.23
34%
-62
- C2 -
4OV9
2
?
A:
[24-406]
----------------------------------------------------
K
T
I
H
I
Q
D
V
T
L
R
D
G
N
Q
A
L
K
R
P
W
T
I
-
D
E
K
I
E
V
F
-
D
L
L
-
V
E
L
-
N
V
D
G
I
E
V
G
F
P
S
S
N
E
T
E
F
H
T
C
Q
V
L
S
K
R
-
A
P
---
K
------
G
-
K
P
I
A
A
L
S
R
A
N
Q
N
E
I
A
V
T
W
E
A
I
Q
K
A
D
C
P
R
M
H
I
V
Y
P
V
S
D
F
S
I
K
H
V
L
K
I
S
E
K
E
V
L
Q
--------
K
I
R
N
S
I
S
F
A
R
S
I
V
G
-------
P
G
I
E
I
Q
F
S
G
E
HFG
D
A
I
---
E
---
N
F
A
F
T
K
E
A
F
L
T
A
I
E
A
G
A
N
------
I
I
----------
N
L
P
N
T
V
E
R
-
Y
R
P
M
V
F
V
N
M
V
K
E
-
I
K
D
V
V
K
--
D
K
A
I
I
S
I
H
T
H
N
D
L
G
M
A
T
A
T
S
V
E
S
V
Y
V
G
A
E
Q
I
E
V
A
L
N
G
L
G
E
R
A
G
N
T
N
L
Y
E
T
A
I
A
L
H
Q
N
G
E
----
N
L
N
I
N
F
Q
R
I
Y
P
T
A
K
R
I
S
E
L
T
G
I
P
I
G
E
K
T
P
I
I
G
E
D
I
F
S
H
R
S
G
I
H
Q
-----T
L
H
Q
S
K
G
--------------------
A
-
Y
R
T
F
S
P
E
F
V
G
R
M
D
K
------
E
T
-
I
S
F
T
-
N
Q
S
G
H
K
A
I
E
F
L
L
H
-
Q
R
G
I
Q
-
V
S
K
E
G
I
H
H
L
F
S
L
A
K
S
I
S
S
R
E
N
N
R
--
E
I
T
E
A
E
-
L
V
A
L
--------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
83.38
34%
-67
- C2 -
4OV4
2
?
A:
[24-406]
----------------------------------------------------
K
T
I
H
I
Q
D
V
T
L
R
D
G
N
Q
A
L
K
R
P
W
T
I
-
D
E
K
I
E
V
F
-
D
L
L
-
V
E
L
-
N
V
D
G
I
E
V
G
F
P
S
S
N
E
T
E
F
H
T
C
Q
V
L
S
K
R
-
A
P
---
K
------
G
-
K
P
I
A
A
L
S
R
A
N
Q
N
E
I
A
V
T
W
E
A
I
Q
K
A
D
C
P
R
M
H
I
V
Y
P
V
S
D
F
S
I
K
H
V
L
K
I
S
E
K
E
V
L
Q
--------
K
I
R
N
S
I
S
F
A
R
S
I
V
G
-------
P
G
I
E
I
Q
F
S
G
E
HFG
D
A
I
---
E
---
N
F
A
F
T
K
E
A
F
L
T
A
I
E
A
G
A
N
------
I
I
----------
N
L
P
N
T
V
E
R
-
Y
R
P
M
V
F
V
N
M
V
K
E
-
I
K
D
V
V
K
--
D
K
A
I
I
S
I
H
T
H
N
D
L
G
M
A
T
A
T
S
V
E
S
V
Y
V
G
A
E
Q
I
E
V
A
L
N
G
L
G
E
R
A
G
N
T
N
L
Y
E
T
A
I
A
L
H
Q
N
G
E
----
N
L
N
I
N
F
Q
R
I
Y
P
T
A
K
R
I
S
E
L
T
G
I
P
I
G
E
K
T
P
I
I
G
E
D
I
F
S
H
R
S
G
I
H
Q
-----HQ--
S
K
G
--------------------
A
-
Y
R
T
F
S
P
E
F
V
G
R
M
D
K
------
E
T
-
I
S
F
T
-
N
Q
S
G
H
K
A
I
E
F
L
L
H
-
Q
R
G
I
Q
-
V
S
K
E
G
I
H
H
L
F
S
L
A
K
S
I
S
S
R
E
N
N
R
--
E
I
T
E
A
E
-
L
V
A
L
--------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
78.05
24%
-56
- C2 -
3HPZ
4
LEU1_MYCTU
A:
[79-608]
-------------------------------------------------------------
L
R
D
G
N
Q
A
L
I
D
P
M
S
P
-
A
R
K
R
R
M
F
-
D
L
L
-
V
R
M
-
G
Y
K
E
I
E
V
G
F
P
S
A
S
Q
T
D
F
D
F
V
R
E
I
I
E
Q
G
A
I
---
P
------
D
D
V
T
I
Q
V
L
T
Q
C
R
P
E
L
I
E
R
T
F
Q
A
C
S
G
A
P
R
A
I
V
H
F
Y
N
S
T
S
I
L
Q
R
R
V
V
F
R
A
N
R
A
E
V
Q
A
I
A
T
D
G
A
R
K
C
V
E
Q
A
A
K
Y
P
G
T
Q
W
R
-------
F
----
E
Y
S
P
E
---
S
Y
T
---
G
T
--
E
----
L
E
Y
A
K
Q
V
C
D
A
V
G
E
------
V
I
APTPE
R
P
I
I
F
N
L
P
A
T
V
E
M
-
T
T
P
N
V
Y
A
D
S
I
E
W
-
M
S
R
N
L
A
N
R
E
S
V
I
L
S
L
H
P
H
N
D
R
G
T
A
V
A
A
A
E
L
G
F
A
A
G
A
D
R
I
E
G
C
L
F
G
N
G
E
R
T
G
N
V
C
L
V
T
L
G
L
N
L
F
S
R
G
----
V
D
P
Q
I
D
F
S
N
I
D
E
I
R
R
T
V
E
Y
C
N
Q
L
P
V
H
E
R
H
P
Y
G
G
D
L
V
Y
T
A
F
S
G
S
H
Q
D
A
I
N
K
----
G
L
D
A
M
K
L
D
A
D
A
A
DCDVDDML
W
Q
V
P
-
Y
L
P
I
D
P
R
D
V
G
-
R
T
Y
------
E
A
V
I
---------
G
G
V
A
Y
I
M
K
T
D
H
G
L
S
-
L
P
R
R
L
Q
I
E
F
S
Q
V
I
Q
K
----------
E
V
S
P
K
E
-
M
W
D
A
F
A
E
E
Y
L
A
P
V
R
P
L
E
R
I
R
Q
H
V
D
A
A
D
D
D
G
G
T
T
S
I
T
A
T
V
K
I
---
N
G
V
E
T
E
I
S
G
S
G
N
G
P
L
A
A
F
V
H
A
L
A
D
V
-
G
F
D
V
A
V
L
D
Y
Y
E
H
A
M
-
S
A
G
D
D
A
Q
A
A
A
Y
V
-----------------------------------------------
14
PsiBlast_PDB
77.59
24%
-54
- C2 -
3HPS
6
LEU1_MYCTU
A:
[79-606]
-------------------------------------------------------------
L
R
D
G
N
Q
A
L
I
D
P
M
S
P
-
A
R
K
R
R
M
F
-
D
L
L
-
V
R
M
-
G
Y
K
E
I
E
V
G
F
P
S
A
S
Q
T
D
F
D
F
V
R
E
I
I
E
Q
G
A
I
---
P
------
D
D
V
T
I
Q
V
L
T
Q
C
R
P
E
L
I
E
R
T
F
Q
A
C
S
G
A
P
R
A
I
V
H
F
Y
N
S
T
S
I
L
Q
R
R
V
V
F
R
A
N
R
A
E
V
Q
A
I
A
T
D
G
A
R
K
C
V
E
Q
A
A
K
Y
P
G
T
Q
W
R
-------
F
----
E
Y
S
P
E
---
S
Y
T
---
G
T
--
E
----
L
E
Y
A
K
Q
V
C
D
A
V
G
E
------
V
I
APTPE
R
P
I
I
F
N
L
P
A
T
V
E
M
-
T
T
P
N
V
Y
A
D
S
I
E
W
-
M
S
R
N
L
A
N
R
E
S
V
I
L
S
L
H
P
H
N
D
R
G
T
A
V
A
A
A
E
L
G
F
A
A
G
A
D
R
I
E
G
C
L
F
G
N
G
E
R
T
G
N
V
C
L
V
T
L
G
L
N
L
F
S
R
G
----
V
D
P
Q
I
D
F
S
N
I
D
E
I
R
R
T
V
E
Y
C
N
Q
L
P
V
H
E
R
H
P
Y
G
G
D
L
V
Y
T
A
F
S
G
S
H
Q
D
A
I
N
K
----
G
L
D
A
M
K
L
D
A
D
A
A
DCDVDDML
W
Q
V
P
-
Y
L
P
I
D
P
R
D
V
G
-
R
T
Y
------
E
A
V
I
--------
K
G
G
V
A
Y
I
M
K
T
D
H
G
L
S
-
L
P
R
R
L
Q
I
E
F
S
Q
V
I
Q
K
I
---------
E
V
S
P
K
E
-
M
W
D
A
F
A
E
E
Y
L
A
P
V
R
P
L
E
RI
R
Q
H
V
D
A
A
D
D
D
G
G
T
T
S
I
T
A
T
V
K
I
---
N
G
V
E
T
E
I
S
G
S
G
N
G
P
L
A
A
F
V
H
A
L
A
D
V
-
G
F
D
V
A
V
L
D
Y
Y
E
H
A
M
-
S
A
G
D
D
A
Q
A
A
A
Y
V
-----------------------------------------------
16
PsiBlast_PDB
77.46
24%
-55
- C2 -
3HQ1
6
LEU1_MYCTU
A:
[79-608]
-------------------------------------------------------------
L
R
D
G
N
Q
A
L
I
D
P
M
S
P
-
A
R
K
R
R
M
F
-
D
L
L
-
V
R
M
-
G
Y
K
E
I
E
V
G
F
P
S
A
S
Q
T
D
F
D
F
V
R
E
I
I
E
Q
G
A
I
---
P
------
D
D
V
T
I
Q
V
L
T
Q
C
R
P
E
L
I
E
R
T
F
Q
A
C
S
G
A
P
R
A
I
V
H
F
Y
N
S
T
S
I
L
Q
R
R
V
V
F
R
A
N
R
A
E
V
Q
A
I
A
T
D
G
A
R
K
C
V
E
Q
A
A
K
Y
P
G
T
Q
W
R
-------
F
----
E
Y
S
P
E
---
S
Y
T
---
G
T
--
E
----
L
E
Y
A
K
Q
V
C
D
A
V
G
E
------
V
I
APTPE
R
P
I
I
F
N
L
P
A
T
V
E
M
-
T
T
P
N
V
Y
A
D
S
I
E
W
-
M
S
R
N
L
A
N
R
E
S
V
I
L
S
L
H
P
H
N
D
R
G
T
A
V
A
A
A
E
L
G
F
A
A
G
A
D
R
I
E
G
C
L
F
G
N
G
E
R
T
G
N
V
C
L
V
T
L
G
L
N
L
F
S
R
G
----
V
D
P
Q
I
D
F
S
N
I
D
E
I
R
R
T
V
E
Y
C
N
Q
L
P
V
H
E
R
H
P
Y
G
G
D
L
V
Y
T
A
F
S
G
S
H
Q
D
A
I
N
K
----
G
L
D
A
M
K
L
D
A
D
A
A
DCDVDDML
W
Q
V
P
-
Y
L
P
I
D
P
R
D
V
G
-
R
T
Y
------
E
A
V
I
--------
K
G
G
V
A
Y
I
M
K
T
D
H
G
L
S
-
L
P
R
R
L
Q
I
E
F
S
Q
V
I
Q
K
I
---------
E
V
S
P
K
E
-
M
W
D
A
F
A
E
E
Y
L
A
P
V
R
P
L
E
RI
R
Q
H
V
D
A
A
D
D
D
G
G
T
T
S
I
T
A
T
V
K
I
---
N
G
V
E
T
E
I
S
G
S
G
N
G
P
L
A
A
F
V
H
A
L
A
D
V
-
G
F
D
V
A
V
L
D
Y
Y
E
H
A
M
-
S
A
G
D
D
A
Q
A
A
A
Y
V
-----------------------------------------------
13
PsiBlast_PDB
76.72
24%
-54
- C2 -
3FIG
4
LEU1_MYCTU
A:
[81-609]
-------------------------------------------------------------
L
R
D
G
N
Q
A
L
I
D
P
M
S
P
-
A
R
K
R
R
M
F
-
D
L
L
-
V
R
M
-
G
Y
K
E
I
E
V
G
F
P
S
A
S
Q
T
D
F
D
F
V
R
E
I
I
E
Q
G
A
I
---
P
------
D
D
V
T
I
Q
V
L
T
Q
C
R
P
E
L
I
E
R
T
F
Q
A
C
S
G
A
P
R
A
I
V
H
F
Y
N
S
T
S
I
L
Q
R
R
V
V
F
R
A
N
R
A
E
V
Q
A
I
A
T
D
G
A
R
K
C
V
E
Q
A
A
K
Y
P
G
T
Q
W
R
-------
F
----
E
Y
S
P
E
---
S
Y
T
---
G
T
--
E
----
L
E
Y
A
K
Q
V
C
D
A
V
G
E
------
V
I
APTPE
R
P
I
I
F
N
L
P
A
T
V
E
M
-
T
T
P
N
V
Y
A
D
S
I
E
W
-
M
S
R
N
L
A
N
R
E
S
V
I
L
S
L
H
P
H
N
D
R
G
T
A
V
A
A
A
E
L
G
F
A
A
G
A
D
R
I
E
G
C
L
F
G
N
G
E
R
T
G
N
V
C
L
V
T
L
G
L
N
L
F
S
R
G
----
V
D
P
Q
I
D
F
S
N
I
D
E
I
R
R
T
V
E
Y
C
N
Q
L
P
V
H
E
R
H
P
Y
G
G
D
L
V
Y
T
A
F
S
G
S
H
Q
D
A
I
N
K
----
G
L
D
A
M
K
L
D
A
D
A
A
DCDVDDML
W
Q
V
P
-
Y
L
P
I
D
P
R
D
V
G
-
R
T
Y
------
E
A
V
I
--------
K
G
G
V
A
Y
I
M
K
T
D
H
G
L
S
-
L
P
R
R
L
Q
I
E
F
S
Q
V
I
Q
K
I
---------
E
V
S
P
K
E
-
M
W
D
A
F
A
E
E
Y
L
A
P
V
R
P
L
E
RI
R
Q
H
V
D
A
A
D
D
D
G
G
T
T
S
I
T
A
T
V
K
I
---
N
G
V
E
T
E
I
S
G
S
G
N
G
P
L
A
A
F
V
H
A
L
A
D
V
-
G
F
D
V
A
V
L
D
Y
Y
E
H
A
M
-
S
A
G
D
D
A
Q
A
A
A
Y
V
-----------------------------------------------
24
HHSearch
75.07
30%
-62
- C2 -
3IVS
2
HOSM_SCHPO
A:
[37-409]
---------------------------------------------------
V
N
N
F
S
I
I
E
S
T
L
R
E
G
E
Q
F
A
N
A
F
F
D
T
-
E
K
K
I
Q
I
A
-
K
A
L
-
D
N
F
-
G
V
D
Y
I
E
L
T
S
P
V
A
S
E
Q
S
R
Q
D
C
E
A
I
C
K
--
L
G
---
L
------
K
-
C
K
I
L
T
H
I
R
C
H
M
D
D
A
R
V
A
V
E
T
----
G
V
D
G
V
D
V
V
I
G
T
-------------
T
Y
I
I
D
--------
S
A
T
E
V
I
N
F
V
K
S
K
G
I
-------
E
---
V
R
F
S
S
E
---
D
S
F
---
R
S
--
D
L
V
D
L
L
S
L
Y
K
A
V
D
K
I
G
V
N
------
R
V
----------
G
I
A
D
T
V
G
C
-
A
T
P
R
Q
V
Y
D
L
I
R
T
-
L
R
G
V
V
S
----
C
D
I
E
C
H
F
H
N
D
T
G
M
A
I
A
N
A
Y
C
A
L
E
A
G
A
T
H
I
D
T
S
I
L
G
I
G
E
R
N
G
I
T
P
L
G
A
L
L
A
R
M
Y
V
T
D
R
-
E
Y
I
T
H
K
Y
K
L
N
Q
L
R
E
L
E
N
L
V
A
D
A
V
E
V
Q
I
P
F
N
N
Y
I
T
G
M
C
A
F
T
H
K
A
G
I
H
A
K
A
I
L
A
----
N
P
S
--------------------
T
-
Y
E
I
L
K
P
E
D
F
G
-
M
S
R
-------
Y
-
V
H
V
G
S
R
L
T
G
W
N
A
I
K
S
R
A
E
-
Q
L
N
L
H
-
L
---
Q
A
K
E
L
T
V
R
I
K
K
L
A
---
V
R
---
T
L
A
M
D
D
-
V
D
R
V
L
R
E
Y
H
A
--------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
74.51
22%
-36
- C2 -
1SR9
3
LEU1_MYCTU
A:
[18-643]
TIVKPAGPPRVGQPSWNP
Q
R
A
S
SMPVNRYRPFAEEVEPIRLRNRTWPDRVI
D
R
A
P
L
W
C
A
V
D
L
R
D
G
N
Q
A
L
I
---
D
P
M
S
P
A
R
K
R
R
M
F
D
L
-
L
V
R
M
G
Y
K
E
I
E
V
G
F
P
S
A
S
Q
T
D
F
D
F
V
R
E
I
I
E
--
Q
G
AIP
D
------
D
-
V
T
I
Q
V
L
T
Q
C
R
P
E
L
I
E
R
T
F
Q
A
C
S
G
A
P
R
A
I
V
H
F
Y
N
S
T
S
I
L
Q
R
R
V
V
F
R
A
N
R
A
E
V
Q
A
--------
I
A
T
D
G
A
R
K
C
V
E
Q
A
A
K
Y
PGTQ
W
R
---
F
E
Y
S
P
E
---
S
Y
T
---
G
T
--
E
L
E
Y
A
K
Q
V
C
D
A
V
G
E
V
I
A
P
TPE
R
P
I
I
F
----------
N
L
P
A
T
V
-
E
M
T
T
P
N
V
Y
A
D
S
I
E
W
M
S
R
N
-
L
A
N
R
E
S
V
I
L
S
L
H
P
H
N
D
R
G
T
A
V
A
A
A
E
L
G
F
A
A
G
A
D
R
I
E
G
C
L
F
G
N
G
E
R
T
G
N
V
C
L
V
T
L
G
L
N
L
F
S
R
G
----
V
D
P
Q
I
D
F
S
N
I
D
E
I
R
R
T
V
E
Y
C
N
Q
L
P
V
H
E
R
H
P
Y
G
G
D
L
V
Y
T
A
F
S
G
S
H
Q
D
A
I
N
K
----
G
L
D
--------------------
A
M
K
L
D
A
D
A
A
D
C
D
-
V
D
D
ML
W
Q
V
P
Y
L
-
P
I
D
P
-
R
D
V
G
R
T
Y
E
A
V
I
K
G
-
G
V
A
Y
I
M
K
T
D
H
G
L
S
L
P
R
R
L
Q
I
E
F
S
--
Q
V
I
Q
K
I
E
V
S
P
K
E
M
W
D
A
F
A
E
E
Y
L
A
P
V
R
P
L
E
R
--
I
R
Q
H
V
D
A
A
D
D
D
G
G
T
T
--
S
I
T
A
T
V
K
I
N
G
V
E
T
E
I
S
G
S
G
N
G
P
L
A
A
F
V
H
A
L
A
D
V
-
G
F
D
V
A
V
L
D
Y
Y
E
H
A
-M
S
A
G
D
D
A
Q
A
A
A
Y
V
E
A
S
V
T
I
S
K
T
V
W
G
V
G
I
A
P
S
I
T
T
A
S
L
R
A
V
V
S
A
V
N
R
A
A
------------
7
PsiBlast_PDB
73.75
30%
-59
- C2 -
3IVU
3
HOSM_SCHPO
A:
[37-393]
---------------------------------------------------
V
N
N
F
S
I
I
E
S
T
L
R
E
G
E
Q
F
A
N
A
F
F
D
T
-
E
K
K
I
Q
I
A
-
K
A
L
-
D
N
F
-
G
V
D
Y
I
E
L
T
S
P
V
A
S
E
Q
S
R
Q
D
C
E
A
I
C
K
--
L
G
---
L
------
K
-
C
K
I
L
T
H
I
R
C
H
M
D
D
A
R
V
A
V
E
T
G
V
D
G
V
D
----
V
V
I
G
T
S
Q
Y
L
R
K
Y
S
H
--
D
M
T
Y
I
I
D
--------
S
A
T
E
V
I
N
F
V
K
S
K
G
I
-------
E
---
V
R
F
S
S
E
---
D
S
F
---
R
S
--
D
L
V
D
L
L
S
L
Y
K
A
V
D
K
I
G
V
N
------
R
V
----------
G
I
A
D
T
V
G
C
-
A
T
P
R
Q
V
Y
D
L
I
R
T
-
L
R
G
V
V
S
----
C
D
I
E
C
H
F
H
N
D
T
G
M
A
I
A
N
A
Y
C
A
L
E
A
G
A
T
H
I
D
T
S
I
L
G
I
G
E
R
N
G
I
T
P
L
G
A
L
L
A
R
M
Y
V
T
D
R
E
Y
I
T
H
-
K
Y
K
L
N
Q
L
R
E
L
E
N
L
V
A
D
A
V
E
V
Q
I
P
F
N
N
Y
I
T
G
M
C
A
F
T
H
K
A
G
I
-------------
S
--------------------
T
-
Y
E
I
L
K
P
E
D
F
G
-
M
S
R
------
Y
V
-
H
V
G
S
-
R
L
T
G
W
N
A
I
K
S
R
A
E
-
Q
L
N
L
H
-
L
T
D
A
Q
A
K
E
L
T
V
R
I
K
K
L
A
--
D
V
R
----------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
72.93
30%
-57
- C2 -
3MI3
4
HOSM_SCHPO
A:
[37-393]
---------------------------------------------------
V
N
N
F
S
I
I
E
S
T
L
R
E
G
E
Q
F
A
N
A
F
F
D
T
-
E
K
K
I
Q
I
A
-
K
A
L
-
D
N
F
-
G
V
D
Y
I
E
L
T
S
P
V
A
S
E
Q
S
R
Q
D
C
E
A
I
C
K
--
L
G
---
L
------
K
-
C
K
I
L
T
H
I
R
C
H
M
D
D
A
R
V
A
V
E
T
G
V
D
G
V
D
----
V
V
I
G
T
S
-----------
M
T
Y
I
I
D
--------
S
A
T
E
V
I
N
F
V
K
S
K
G
I
-------
E
---
V
R
F
S
S
E
---
D
S
F
---
R
S
--
D
L
V
D
L
L
S
L
Y
K
A
V
D
K
I
G
V
N
------
R
V
----------
G
I
A
D
T
V
G
C
-
A
T
P
R
Q
V
Y
D
L
I
R
T
-
L
R
G
V
V
S
----
C
D
I
E
C
H
F
H
N
D
T
G
M
A
I
A
N
A
Y
C
A
L
E
A
G
A
T
H
I
D
T
S
I
L
G
I
G
E
R
N
G
I
T
P
L
G
A
L
L
A
R
M
Y
V
T
D
R
E
Y
I
T
H
-
K
Y
K
L
N
Q
L
R
E
L
E
N
L
V
A
D
A
V
E
V
Q
I
P
F
N
N
Y
I
T
G
M
C
A
F
T
H
K
A
G
I
H
A
K
A
I
L
A
----
N
P
S
--------------------
T
-
Y
E
I
L
K
P
E
D
F
G
-
M
S
R
------
Y
V
-
H
V
G
S
-
R
L
T
G
W
N
A
I
K
S
R
A
E
-
Q
L
N
L
H
-
L
T
D
A
Q
A
K
E
L
T
V
R
I
K
K
L
A
--
D
V
R
----------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
72.26
30%
-59
- C2 -
3IVT
3
HOSM_SCHPO
A:
[37-393]
---------------------------------------------------
V
N
N
F
S
I
I
E
S
T
L
R
E
G
E
Q
F
A
N
A
F
F
D
T
-
E
K
K
I
Q
I
A
-
K
A
L
-
D
N
F
-
G
V
D
Y
I
E
L
T
S
P
V
A
S
E
Q
S
R
Q
D
C
E
A
I
C
K
--
L
G
---
L
------
K
-
C
K
I
L
T
H
I
R
C
H
M
D
D
A
R
V
A
V
E
T
G
V
D
G
V
D
----
V
V
I
G
T
S
Q
Y
L
R
K
Y
S
H
G
K
D
M
T
Y
I
I
D
--------
S
A
T
E
V
I
N
F
V
K
S
K
G
I
-------
E
---
V
R
F
S
S
E
---
D
S
F
---
R
S
--
D
L
V
D
L
L
S
L
Y
K
A
V
D
K
I
G
V
N
------
R
V
----------
G
I
A
D
T
V
G
C
-
A
T
P
R
Q
V
Y
D
L
I
R
T
-
L
R
G
V
V
S
----
C
D
I
E
C
H
F
H
N
D
T
G
M
A
I
A
N
A
Y
C
A
L
E
A
G
A
T
H
I
D
T
S
I
L
G
I
G
E
R
N
G
I
T
P
L
G
A
L
L
A
R
M
Y
V
T
D
R
E
Y
I
T
H
-
K
Y
K
L
N
Q
L
R
E
L
E
N
L
V
A
D
A
V
E
V
Q
I
P
F
N
N
Y
I
T
G
M
C
A
F
T
H
K
A
G
I
H
A
K
A
I
L
A
----
N
P
S
--------------------
T
-
Y
E
I
L
K
P
E
D
F
G
-
M
S
R
------
Y
V
-
H
V
G
S
-
R
L
T
G
W
N
A
I
K
S
R
A
E
-
Q
L
N
L
H
-
L
T
D
A
Q
A
K
E
L
T
V
R
I
K
K
L
A
--
D
V
R
----------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
72.22
99%
-27
- C2 -
3EWB
-
LEU1_LISMF
X:
[1-275]
---------------------------------------------------
L
K
K
I
Q
F
F
D
T
T
L
R
D
G
E
-----
N
F
D
V
-
K
E
K
I
Q
I
A
-
L
Q
L
-
E
K
L
-
G
I
D
V
I
E
A
G
F
P
I
S
S
P
G
D
F
E
C
V
K
A
I
A
K
--
A
I
---
K
------
H
-
C
S
V
T
G
L
A
R
C
V
E
G
D
I
D
R
A
E
E
A
L
K
D
A
V
S
P
Q
I
H
I
F
L
A
T
S
D
V
H
M
E
Y
K
L
K
M
S
R
A
E
V
L
A
--------
S
I
K
H
H
I
S
Y
A
R
Q
K
F
D
-------
V
---
V
Q
F
S
P
E
---
D
A
T
---
R
S
--
D
R
A
F
L
I
E
A
V
Q
T
A
I
D
A
G
A
T
------
V
I
----------
N
I
P
D
T
V
G
Y
-
T
N
P
T
E
F
G
Q
L
F
Q
D
-
L
R
R
E
I
K
Q
F
D
D
I
I
F
A
S
H
C
H
D
D
L
G
M
A
T
A
N
A
L
A
A
I
E
N
G
A
R
R
V
E
G
T
I
N
G
I
G
E
R
A
G
N
T
A
L
E
E
V
A
V
A
L
H
I
R
K
D
F
Y
Q
A
E
T
N
I
V
L
N
Q
F
K
N
S
S
D
L
I
S
R
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
71.80
97%
-27
- C2 -
3EWB
-
LEU1_LISMF
X:
[1-275]
---------------------------------------------------
L
K
K
I
Q
F
F
D
T
T
L
R
D
G
E
-----
N
F
D
V
-
K
E
K
I
Q
I
A
-
L
Q
L
-
E
K
L
-
G
I
D
V
I
E
A
G
F
P
I
S
S
P
G
D
F
E
C
V
K
A
I
A
K
--
A
I
---
K
------
H
-
C
S
V
T
G
L
A
R
C
V
E
G
D
I
D
R
A
E
E
A
L
K
D
A
V
S
P
Q
I
H
I
F
L
A
T
S
D
V
H
M
E
Y
K
L
K
M
S
R
A
E
V
L
A
--------
S
I
K
H
H
I
S
Y
A
R
Q
K
F
D
-------
V
---
V
Q
F
S
P
E
---
D
A
T
---
R
S
--
D
R
A
F
L
I
E
A
V
Q
T
A
I
D
A
G
A
T
------
V
I
----------
N
I
P
D
T
V
G
Y
-
T
N
P
T
E
F
G
Q
L
F
Q
D
-
L
R
R
E
I
K
Q
F
D
D
I
I
F
A
S
H
C
H
D
D
L
G
M
A
T
A
N
A
L
A
A
I
E
N
G
A
R
R
V
E
G
T
I
N
G
I
G
E
R
A
G
N
T
A
L
E
E
V
A
V
A
L
H
I
R
K
D
F
Y
Q
A
E
T
N
I
V
L
N
Q
F
K
N
S
S
D
L
I
S
R
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
71.71
30%
-65
- C2 -
3A9I
2
HOSC_THET2
A:
[2-366]
----------------------------------------------------
R
E
W
K
I
I
D
S
T
L
R
E
G
E
Q
F
E
K
A
N
F
S
T
-
Q
D
K
V
E
I
A
-
K
A
L
-
D
E
F
-
G
I
E
Y
I
E
V
T
T
P
V
A
S
P
Q
S
R
K
D
A
E
V
L
A
S
--
L
G
---
L
------
K
-
A
K
V
V
T
H
I
Q
C
---
R
L
D
A
A
K
V
A
V
E
T
G
V
Q
G
I
D
L
L
F
G
T
S
K
Y
L
------
D
I
P
R
--
I
I
E
--------
E
A
K
E
V
I
A
Y
I
R
E
A
A
P
H
V
-----
E
---
V
R
F
S
A
E
---
D
T
F
---
R
S
--
E
E
Q
D
L
L
-
A
V
Y
E
A
V
A
P
Y
V
D
------
R
V
----------
G
L
A
D
T
V
G
V
-
A
T
P
R
Q
V
Y
A
L
V
R
E
-
V
R
R
V
V
G
P
R
V
D
I
E
F
--
H
G
H
N
D
T
G
C
A
I
A
N
A
Y
E
A
I
E
A
G
A
T
H
V
D
T
T
I
L
G
I
G
E
R
N
G
I
T
P
L
G
G
F
L
A
R
M
Y
T
L
Q
P
E
Y
-
V
R
R
K
Y
K
L
E
M
L
P
E
L
D
R
M
V
A
R
M
V
G
V
E
I
P
F
N
N
Y
I
T
G
E
T
A
F
S
H
K
A
G
M
H
L
K
A
I
Y
I
----
N
P
E
--------------------
A
-
Y
E
P
Y
P
P
E
V
F
G
-
V
K
-------------------------------
G
L
H
-
Y
G
E
E
E
L
H
R
V
T
Q
H
I
K
A
L
A
--
D
-
R
G
--
Q
L
T
L
E
E
-
L
-----------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
70.70
29%
-62
- C2 -
3BLE
2
?
A:
[19-337]
-----------------------------------------------------
R
L
E
I
L
D
V
T
L
R
D
G
E
Q
T
R
G
V
S
F
S
T
-
S
E
K
L
N
I
A
-
K
F
L
L
Q
K
L
-
N
V
D
R
V
E
I
A
S
A
R
V
S
K
G
E
L
E
T
V
Q
K
I
M
E
--
W
A
---
A
T
E
QLTE
R
-
I
E
I
L
G
F
V
D
G
-
N
K
T
V
D
W
I
K
D
S
----
G
A
K
V
L
N
L
L
T
K
G
S
L
H
H
L
E
K
Q
L
G
K
T
P
K
E
F
F
T
--------
D
V
S
F
V
I
E
Y
A
I
K
S
G
L
-------
K
---
I
N
V
Y
L
E
---
D
W
S
N
G
F
R
N
--
S
P
D
Y
V
K
S
L
V
E
H
L
S
K
E
H
I
E
------
R
I
----------
F
L
P
D
T
L
G
V
-
L
S
P
E
E
T
F
Q
G
V
D
S
-
L
I
Q
K
Y
P
---
D
I
H
F
E
F
H
G
H
N
D
Y
D
L
S
V
A
N
S
L
Q
A
I
R
A
G
V
K
G
L
H
A
S
I
N
G
L
G
E
R
A
G
N
T
P
L
E
A
L
V
T
T
I
H
D
K
S
---
N
S
K
T
N
I
N
E
I
A
I
T
E
A
S
R
L
V
E
V
F
S
G
K
R
I
S
A
N
R
P
I
V
G
E
D
V
F
T
Q
----------------
N
L
--------------------
Y
-
A
N
P
I
L
P
E
R
F
G
-
R
K
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
68.81
30%
-64
- C2 -
2ZYF
2
HOSC_THET2
A:
[1-320]
---------------------------------------------------
M
R
E
W
K
I
I
D
S
T
L
R
E
G
E
Q
F
E
K
A
N
F
S
T
-
Q
D
K
V
E
I
A
-
K
A
L
-
D
E
F
-
G
I
E
Y
I
E
V
T
T
P
V
A
S
P
Q
S
R
K
D
A
E
V
L
A
S
--
L
G
---
L
------
K
-
A
K
V
V
T
H
I
Q
C
---
R
L
D
A
A
K
V
A
V
E
T
G
V
Q
G
I
D
L
L
F
G
T
S
K
------
G
R
D
I
P
R
--
I
I
E
--------
E
A
K
E
V
I
A
Y
I
R
E
A
A
P
H
V
-----
E
---
V
R
F
S
A
E
---
D
T
F
---
R
S
--
E
E
Q
D
L
L
-
A
V
Y
E
A
V
A
P
Y
V
D
------
R
V
----------
G
L
A
D
T
V
G
V
-
A
T
P
R
Q
V
Y
A
L
V
R
E
-
V
R
R
V
V
G
P
R
V
D
I
E
F
--
H
G
H
N
D
T
G
C
A
I
A
N
A
Y
E
A
I
E
A
G
A
T
H
V
D
T
T
I
L
G
I
G
E
R
N
G
I
T
P
L
G
G
F
L
A
R
M
Y
T
L
Q
P
E
Y
-
V
R
R
K
Y
K
L
E
M
L
P
E
L
D
R
M
V
A
R
M
V
G
V
E
I
P
F
N
N
Y
I
T
G
E
T
A
F
S
H
K
A
G
M
H
L
K
A
I
Y
I
----
N
P
E
--------------------
A
-
Y
E
P
Y
P
P
E
V
F
G
-
V
K
R
------
K
L
-
I
I
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
67.61
30%
-63
- C2 -
2ZTK
2
HOSC_THET2
A:
[1-320]
---------------------------------------------------
M
R
E
W
K
I
I
D
S
T
L
R
E
G
E
Q
F
E
K
A
N
F
S
T
-
Q
D
K
V
E
I
A
-
K
A
L
-
D
E
F
-
G
I
E
Y
I
E
V
T
T
P
V
A
S
P
Q
S
R
K
D
A
E
V
L
A
S
--
L
G
---
L
------
K
-
A
K
V
V
T
H
I
Q
C
---
R
L
D
A
A
K
V
A
V
E
T
G
V
Q
G
I
D
L
L
F
G
T
--------
G
R
D
I
P
R
--
I
I
E
--------
E
A
K
E
V
I
A
Y
I
R
E
A
A
P
H
V
-----
E
---
V
R
F
S
A
E
---
D
T
F
---
R
S
--
E
E
Q
D
L
L
-
A
V
Y
E
A
V
A
P
Y
V
D
------
R
V
----------
G
L
A
D
T
V
G
V
-
A
T
P
R
Q
V
Y
A
L
V
R
E
-
V
R
R
V
V
G
P
R
V
D
I
E
F
--
H
G
H
N
D
T
G
C
A
I
A
N
A
Y
E
A
I
E
A
G
A
T
H
V
D
T
T
I
L
G
I
G
E
R
N
G
I
T
P
L
G
G
F
L
A
R
M
Y
T
L
Q
P
E
Y
-
V
R
R
K
Y
K
L
E
M
L
P
E
L
D
R
M
V
A
R
M
V
G
V
E
I
P
F
N
N
Y
I
T
G
E
T
A
F
S
H
K
A
G
M
H
L
K
A
I
Y
I
----
N
P
E
--------------------
A
-
Y
E
P
Y
P
P
E
V
F
G
-
V
K
R
------
K
L
-
I
I
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------