@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 : gbs1370: (2015-12-07 )
MKFLDLFAGIGGFRLGLESQGHECLGFCEIDKFARKSYKAIFETEGEVEFHDIRQVTDQDFRKFRGQVDIICVGFPCQAFSLAGRRLGFEDTRGTLFFELARAAQQIQPRFLFLENVKGLLSHDKGATFRTILTTLDELGYDVEWQVLNSKDFQVPQNRERVFLIGHSRRYRPRFLFPLRREGSPTDIERLGNINPSKHGMSGQVYLTSGLAPTLTRGKGEGTKIAVPVLTPDRLEKRQNGRRFKDNQDTMFTLTAQDKHGVVVAGNLPTAFVQTGRVYDISGISPTITTMQGGDKVPKILLRETLPHLKIKEATKTGFAKATLGDSVNLAYPKSNSHRGRVGQGISNTLTTSGNMGVVVAALEYRKDKWYEVTGIVLDGKLYRLRIRRLTPRECFRLQGFPDWAYERAEAVSSKSQLYKQAGNSVTVNVIAAIAEKFRKIEEEEHETLT
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------M
K
F
L
D
L
F
AGIG
G
F
R
LGLESQGH
E
C
L
G
F
C
E
I
D
K
F
A
R
K
S
Y
K
A
I
FETEGE
V
E
F
H
D
I
R
Q
V
T
D
Q
D
F
R
K
FRGQV
D
I
I
C
V
GFP
C
Q
A
F
S
L
A
G
RRLGFEDTR
G
T
L
F
F
E
L
A
R
A
A
Q
QI
Q
P
R
F
L
F
L
E
N
V
K
G
L
L
SHDKG
A
T
F
R
T
I
L
T
T
L
D
ELGYD
V
E
W
Q
V
LNSKDFQVPQNR
E
R
V
F
L
IGHSRRYRPR
F
L
F
P
LRREGS
P
T
D
I
E
R
LGNINPSKHGMSG
Q
V
Y
L
TSGLA
P
T
LTRGKGEG
T
K
I
A
V
PVL
T
P
D
R
L
E
K
R
QNGRRFKDNQD
T
M
F
T
L
TAQDKH
G
V
V
V
AGNL
P
T
A
F
VQTG
R
V
Y
D
ISGIS
P
T
I
T
TMQGGD
K
V
P
K
I
L
L
R
ETLPH
L
K
I
K
E
ATKTGF
A
K
ATLGDS
V
N
LAYPKSNSHRGRVGQGISNTLTTSGN
M
G
V
V
V
A
A
L
EYRKD
K
W
Y
E
V
T
G
I
V
LDG
K
L
Y
R
L
R
I
RRL
T
P
R
E
C
F
RLQGFP
D
W
A
Y
E
R
A
E
AV
S
S
K
S
Q
L
Y
K
QAGN
S
V
T
V
N
V
I
A
A
I
A
E
K
F
R
K
I
E
E
E
EHETLT
60
Fugue
77.02
37%
-69
- C3 -
6MHT
3
MTH1_HAEPH
A:
[1-327]
MIEIKDKQLTG
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
G
---
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
----
H
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
-----------------------------
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
------------
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
-
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
---------------
G
K
---------------------------------------------------------------
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
---
S
Y
K
V
H
-
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
---
22
PsiBlast_CBE
67.80
47%
-136
- C3 -
2I9K
3
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
A
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
67.50
47%
-138
- C3 -
3MHT
3
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
67.26
46%
-130
* C3 *
2C7P
5
MTH1_HAEPH
A:
[12-176]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
G
E
---
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
----
H
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
66.99
47%
-133
- C3 -
2C7P
5
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
66.85
47%
-138
- C3 -
2UYH
4
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
Q
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
S
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
66.83
47%
-139
- C3 -
2C7R
6
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
G
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
66.82
46%
-136
- C3 -
2Z6U
3
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
A
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
66.74
47%
-136
- C3 -
2C7O
4
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
66.73
46%
-135
- C3 -
2UYC
5
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
N
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
66.65
46%
-137
- C3 -
2UZ4
5
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
N
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
66.58
47%
-133
- C3 -
2HR1
3
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
66.43
47%
-136
- C3 -
1SKM
3
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
66.26
47%
-139
- C3 -
4MHT
3
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
66.22
47%
-135
- C3 -
2C7Q
4
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
66.12
47%
-136
- C3 -
1M0E
3
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
66.07
46%
-136
- C3 -
2ZCJ
3
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
Q
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
65.75
46%
-130
- C3 -
2Z6Q
5
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
A
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
65.62
46%
-137
- C3 -
2Z6A
3
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
A
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
65.59
47%
-135
- C3 -
3EEO
3
MTH1_HAEPH
A:
[12-169]
-----------
L
R
F
I
D
L
F
A
G
L
G
G
F
R
L
A
L
E
S
C
G
A
E
C
V
Y
S
N
E
W
D
K
Y
A
Q
E
V
Y
E
M
N
F
---
G
E
K
P
E
G
D
I
T
Q
V
N
E
K
T
I
P
D
H
----
D
I
L
C
A
G
F
P
C
Q
A
F
S
I
S
G
K
Q
K
G
F
E
D
S
R
G
T
L
F
F
D
I
A
R
I
V
R
E
K
K
P
K
V
V
F
M
E
N
V
K
N
F
A
S
H
D
N
G
N
T
L
E
V
V
K
N
T
M
N
E
L
D
Y
S
F
H
A
K
V
L
N
A
L
D
Y
G
I
P
Q
K
R
E
R
I
Y
M
I
C
F
R
N
D
L
N
I
Q
N
F
Q
F
P
K
P
F
E
L
N
T
F
V
K
D
L
L
L
P
D
S
E
V
E
H
L
V
I
D
R
K
D
L
V
M
T
N
Q
E
I
E
Q
T
T
P
K
T
V
R
L
G
I
V
G
K
G
G
Q
G
E
R
I
Y
S
T
R
G
I
A
I
T
L
S
A
Y
G
G
G
I
F
A
K
T
G
G
Y
L
V
N
G
K
T
R
K
L
H
P
R
E
C
A
R
V
M
G
Y
P
D
S
Y
K
V
H
P
S
T
S
Q
A
Y
K
Q
F
G
N
S
V
V
I
N
V
L
Q
Y
I
A
Y
N
I
G
S
S
L
N
F
K
P
Y
-------------------------------------------------------------------------------------------------------------------------------