@TOME V2.3
(Mar 2018)
Ref.
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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 : I3TYX2: (2017-12-15 )
MNLKGASPMKAVTWQGKQKMEIRNVDDPKILEPTDAIIRITATAICGSDLHLYHHGEAVLEKGYVVGHEPMGIVEEVGSQVQTLKKGQRVVIPFNISCGHCHFCLNHMESQCDESNPDQLYGGLFGFGKLNGNHWGGQAEYLRVPYADSTSFVVPDNDLPDEKVLFLSDILPTAYWSVENAGVKKGDTVVILGSGPVGLFAQKFAVMAGAERVIAVDPVQHRLDKAANYNGVETYFLEDTAQAGTELYELAKGGADVIIDCVGMDGLEPVKEKAKNLVSLQSGTISPLQMASQAVKKFGTVQVTGVYMTPASSYPLQEFFMRDIAVKHGQAPIIHLMPKIYAMIAEGLFDPTQIITHSLPLSEAAQAYEIFDKKEDKNIKVVLKP
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...------
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
-MNLKGASP
M
K
A
V
T
WQGK
Q
K
M
EI-RNVD--DPKI------L------EPT------
D
------
A
I
I
R
I
T
A
T
AICGS
D
L
H
L
Y
HH
G
E
A
V
L
EKGYVVGHEP
M
G
I
V
E
E
V
G
S
Q
V
Q
T
L
KKG
Q
R
V
V
I
P
F
NI-SC
G
H
C
H
F
C
L
N
H
M
E
S
QC---DES--
N
P
D
---
Q
L
Y
G
G
L
------
F
G
F
GKLNG---NHW-GGQA
E
Y
L
R
V-PYADS--
T
S
F
VVPDNDLPD
E
----
K
V
---
L
F
L
S
D
I
L
P
T
A
Y
WSVEN-AGVKKG
D
T
V
V
I
LGSG
P
V
G
L
F
A
Q
K
F
A
V
M
AGA
E
R
V
I
A
V
D
P
V
Q
H
R
L
D
KAANYNG
V
E
T
-
Y
F
LE-
D
T
A
Q
-
A
G
T
E
-
L
Y
E
-
L
A---K-G-G
A
D
V
I
I
D
CVG-MDG
L
E
P
V
K
E
K
A
K
N
L
V
S
LQSGTI
S
P
---
L
Q
M
A
S
Q
A
V
K
K-FG
T
V
Q
V
T
G
V
Y
M--------T--------P-A-S------------S----Y
P
L
Q
-----------
E
F
F
M
R
D
I
-
A
V
KH----GQA
P
I
I
------
H
L
M
P
K
I
Y
A
M
I
A
E
GLF
D
P
T
Q
I
I
-
T
-----HSL
P
L
S
E
A
A
Q
A
Y
E
I
FDKKEDK
N
I
K
V
V
LKP------
22
PsiBlast_CBE
86.29
33%
-108
- C1 -
-
4CPD
1
?
C:
[1-346]
---------
M
R
A
V
V
F
E
N
K
E
R
V
A
V
-
K
E
V
N
--
A
P
R
L
------
Q
------
H
P
L
------
D
------
A
L
V
R
V
H
L
A
G
I
C
G
S
D
L
H
L
Y
H
-
G
K
I
P
V
L
P
G
S
V
L
G
H
E
F
V
G
Q
V
E
A
V
G
E
G
I
-
D
L
Q
P
G
D
W
V
V
G
P
F
H
I
-
A
C
G
T
C
P
Y
C
R
R
H
Q
Y
N
L
C
---
E
R
------------
G
G
V
------
Y
G
Y
G
P
M
F
G
---
N
L
Q
-
G
A
Q
A
E
I
L
R
V
-
P
F
S
N
V
--
N
L
R
K
L
P
P
N
-
L
S
P
E
----
R
A
---
I
F
A
G
D
I
L
S
T
A
Y
G
G
L
I
Q
-
G
Q
L
R
P
G
D
S
V
A
V
I
G
A
G
P
V
G
L
M
A
I
E
V
A
Q
V
L
G
A
S
K
I
L
A
I
D
R
I
P
E
R
L
E
R
A
A
S
L
G
A
I
P
I
-
N
A
E
Q
-
E
N
P
V
-
R
R
V
R
--
S
E
-
T
N
---
D
-
E
-
G
P
D
L
V
L
E
A
V
G
---------------------
G
A
A
T
---
L
S
L
A
L
E
M
V
R
P
-
G
G
R
V
S
A
V
G
V
D
N
--------
A
--------
P
-
S
-
F
------------
P
----
F
P
L
A
-----------
S
G
L
V
K
D
L
-
T
F
R
I
----
G
L
A
N
V
H
------
L
Y
I
D
A
V
L
A
L
L
A
S
G
R
L
Q
P
E
R
I
V
-
S
-----
H
Y
L
P
L
E
E
A
P
R
G
Y
E
L
F
D
R
K
E
A
L
K
V
L
L
V
V
R
-------
1
PsiBlast_PDB
85.69
33%
-109
* C1 *
-
4CPD
1
?
A:
[1-346]
---------
M
R
A
V
V
F
E
N
K
E
R
V
A
V
-
K
E
V
N
--
A
P
R
L
------
Q
------
H
P
L
------
D
------
A
L
V
R
V
H
L
A
G
I
C
G
S
D
L
H
L
Y
H
-
G
K
I
P
V
L
P
G
S
V
L
G
H
E
F
V
G
Q
V
E
A
V
G
E
G
I
Q
D
L
Q
P
G
D
W
V
V
G
P
F
H
I
-
A
C
G
T
C
P
Y
C
R
R
H
Q
Y
N
L
C
---
E
R
------------
G
G
V
------
Y
G
Y
G
P
M
F
G
---
N
L
Q
-
G
A
Q
A
E
I
L
R
V
-
P
F
S
N
V
--
N
L
R
K
L
P
P
N
-
L
S
P
E
----
R
A
---
I
F
A
G
D
I
L
S
T
A
Y
G
G
L
I
Q
-
G
Q
L
R
P
G
D
S
V
A
V
I
G
A
G
P
V
G
L
M
A
I
E
V
A
Q
V
L
G
A
S
K
I
L
A
I
D
R
I
P
E
R
L
E
R
A
A
S
L
G
A
I
P
I
-
N
A
E
Q
-
E
N
P
V
-
R
R
V
R
--
S
E
-
T
N
---
D
-
E
-
G
P
D
L
V
L
E
A
V
G
---------------------
G
A
A
T
---
L
S
L
A
L
E
M
V
R
P
-
G
G
R
V
S
A
V
G
V
D
N
--------
A
--------
P
-
S
-
F
------------
P
----
F
P
L
A
-----------
S
G
L
V
K
D
L
-
T
F
R
I
----
G
L
A
N
V
H
------
L
Y
I
D
A
V
L
A
L
L
A
S
G
R
L
Q
P
E
R
I
V
-
S
-----
H
Y
L
P
L
E
E
A
P
R
G
Y
E
L
F
D
R
K
E
A
L
K
V
L
L
V
V
R
-------
21
PsiBlast_CBE
84.31
33%
-110
- C1 -
-
4CPD
1
?
D:
[1-346]
---------
M
R
A
V
V
F
------
A
V
-
K
E
V
N
--
A
P
R
L
------
Q
------
H
P
L
------
D
------
A
L
V
R
V
H
L
A
G
I
C
G
S
D
L
H
L
Y
H
-
G
K
I
P
V
L
P
-
S
V
L
G
H
E
F
V
G
Q
V
E
A
V
G
E
G
I
-
D
L
Q
P
G
D
W
V
V
G
P
F
H
I
-
A
C
G
T
C
P
Y
C
R
R
H
Q
Y
N
L
C
---
E
R
------------
G
G
V
------
Y
G
Y
G
P
M
F
G
---
N
L
Q
-
G
A
Q
A
E
I
L
R
V
-
P
F
S
N
V
--
N
L
R
K
L
P
P
N
-
L
S
P
E
----
R
A
---
I
F
A
G
D
I
L
S
T
A
Y
G
G
L
I
Q
-
G
Q
L
R
P
G
D
S
V
A
V
I
G
A
G
P
V
G
L
M
A
I
E
V
A
Q
V
L
G
A
S
K
I
L
A
I
D
R
I
P
E
R
L
E
R
A
A
S
L
G
A
I
P
I
-
N
A
E
Q
-
E
N
P
V
-
R
R
V
R
--
S
E
-
T
N
---
D
-
E
-
G
P
D
L
V
L
E
A
V
G
---------------------
G
A
A
T
---
L
S
L
A
L
E
M
V
R
P
-
G
G
R
V
S
A
V
G
V
D
N
--------
A
--------
P
-
S
-
F
------------
P
----
F
P
L
A
-----------
S
G
L
V
K
D
L
-
T
F
R
I
----
G
L
A
N
V
H
------
L
Y
I
D
A
V
L
A
L
L
A
S
G
R
L
Q
P
E
R
I
V
-
S
-----
H
Y
L
P
L
E
E
A
P
R
G
Y
E
L
F
D
R
K
E
A
L
K
V
L
L
V
V
R
-------
61
Fugue
79.91
32%
2
- C1 -
-
1KOL
1
FADH_PSEPU
A:
[2-397]
--------
G
N
R
G
V
V
Y
L
G
S
G
K
V
E
V
-
Q
K
I
D
--
Y
P
K
M
------
Q
------
D
P
R
GKKIEH
G
------
V
I
L
K
V
V
S
T
N
I
C
G
S
D
Q
H
M
V
R
-
G
R
T
T
A
Q
V
G
L
V
L
G
H
E
I
T
G
E
V
I
E
K
G
R
D
V
E
N
L
Q
I
G
D
L
V
S
V
P
F
N
V
-
A
C
G
R
C
R
S
C
K
E
M
H
T
G
V
C
---
L
T
V
--
N
P
A
---
R
-
A
G
G
A
------
Y
G
Y
V
D
-
M
G
---
D
W
T
-
G
G
Q
A
E
Y
V
L
V
-
P
Y
A
D
F
--
N
L
L
K
L
P
D
R
D
K
A
M
E
K
I
R
-
D
L
---
T
C
L
S
D
I
L
P
T
G
Y
H
G
A
V
T
-
A
G
V
G
P
G
S
T
V
Y
V
A
G
A
G
P
V
G
L
A
A
A
A
S
A
R
L
L
G
A
A
V
V
I
V
G
D
L
N
P
A
R
L
A
H
A
K
A
Q
-
G
F
E
I
-
A
D
L
S
-
L
D
T
P
-
L
H
E
Q
-
I
A
A
-
L
L
---
G
-
E
P
E
V
D
C
A
V
D
A
V
G
-
F
E
A
R
G
H
G
H
E
G
A
K
H
-----
E
A
P
A
T
V
---
L
N
S
L
M
Q
V
T
R
V
-
A
G
K
I
G
I
P
G
L
Y
V
--------
T
--------
E
-
D
-
P
GAVD
A
A
A
K
I
GSL
S
----
I
R
F
G
-----------
L
G
W
A
K
S
H
-
S
F
H
T
----
G
Q
T
P
V
M
------
K
Y
N
R
A
L
M
Q
A
I
M
W
D
R
I
N
I
A
E
V
V
G
V
-----
Q
V
I
S
L
D
D
A
P
R
G
Y
G
E
F
D
A
G
V
P
--
K
K
F
V
I
D
P
HKTFSA
27
PsiBlast_CBE
77.55
31%
0
- C1 -
-
1KOL
1
FADH_PSEPU
B:
[2-391]
--------
G
N
R
G
V
V
Y
L
G
S
G
K
V
E
V
-
Q
K
I
D
--
Y
P
K
M
------
Q
------
D
P
R
------
G
KKIEHG
V
I
L
K
V
V
S
T
N
I
C
G
S
D
Q
H
M
V
R
-
G
R
T
T
A
Q
V
G
L
V
L
G
H
E
I
T
G
E
V
I
E
K
G
R
D
V
E
N
L
Q
I
G
D
L
V
S
V
P
F
N
V
-
A
C
G
R
C
R
S
C
K
E
M
H
T
G
V
C
---
L
T
V
--
N
P
A
---
R
A
-
G
G
A
------
Y
G
Y
V
D
M
-
G
---
D
W
T
-
G
G
Q
A
E
Y
V
L
V
-
P
Y
A
D
F
--
N
L
L
K
L
P
D
R
D
K
A
M
E
----
K
I
RDL
T
C
L
S
D
I
L
P
T
G
Y
H
G
A
V
T
-
A
G
V
G
P
G
S
T
V
Y
V
A
G
A
G
P
V
G
L
A
A
A
A
S
A
R
L
L
G
A
A
V
V
I
V
G
D
L
N
P
A
R
L
A
H
-
A
K
A
Q
G
F
E
I
-
A
D
L
S
L
D
T
P
L
-
H
E
Q
I
-
A
A
L
-
L
G
---
E
-
P
-
E
V
D
C
A
V
D
A
V
G
-
F
E
A
R
G
H
G
H
E
G
A
K
H
-----
E
A
P
A
T
V
---
L
N
S
L
M
Q
V
T
R
V
-
A
G
K
I
G
I
P
G
L
Y
V
--------
T
EDPGAVDA
A
-
A
-
K
------------
I
----
G
S
L
S
-----------
I
R
F
G
L
G
W
-
A
K
S
H
SFHT
G
Q
T
P
V
M
------
K
Y
N
R
A
L
M
Q
A
I
M
W
D
R
I
N
I
A
E
V
V
G
V
-----
Q
V
I
S
L
D
D
A
P
R
G
Y
G
E
F
D
A
G
V
P
K
--
K
F
V
I
D
P
------
3
PsiBlast_PDB
76.18
31%
2
- C1 -
-
1KOL
1
FADH_PSEPU
A:
[2-391]
--------
G
N
R
G
V
V
Y
L
G
S
G
K
V
E
V
-
Q
K
I
D
--
Y
P
K
M
------
Q
------
D
P
R
------
G
KKIEH
G
V
I
L
K
V
V
S
T
N
I
C
G
S
D
Q
H
M
V
R
-
G
R
T
T
A
Q
V
G
L
V
L
G
H
E
I
T
G
E
V
I
E
K
G
R
D
V
E
N
L
Q
I
G
D
L
V
S
V
P
F
N
V
-
A
C
G
R
C
R
S
C
K
E
M
H
T
G
V
C
---
L
T
V
--
N
P
A
---
R
A
-
G
G
A
------
Y
G
Y
V
D
M
-
G
---
D
W
T
-
G
G
Q
A
E
Y
V
L
V
-
P
Y
A
D
F
--
N
L
L
K
L
P
D
R
D
K
A
M
E
----
K
I
R
D
L
T
C
L
S
D
I
L
P
T
G
Y
H
G
A
V
T
-
A
G
V
G
P
G
S
T
V
Y
V
A
G
A
G
P
V
G
L
A
A
A
A
S
A
R
L
L
G
A
A
V
V
I
V
G
D
L
N
P
A
R
L
A
H
-
A
K
A
Q
G
F
E
I
-
A
D
L
S
L
D
T
P
L
-
H
E
Q
I
-
A
A
L
-
L
G
---
E
-
P
-
E
V
D
C
A
V
D
A
V
G
-
F
E
A
R
G
H
G
H
E
G
A
K
H
-----
E
A
P
A
T
V
---
L
N
S
L
M
Q
V
T
R
V
-
A
G
K
I
G
I
P
G
L
Y
V
--------
T
EDPGAVD
A
A
-
A
-
K
------------
I
----
G
S
L
S
-----------
I
R
F
G
L
G
W
-
A
K
S
H
S
F
H
T
G
Q
T
P
V
M
------
K
Y
N
R
A
L
M
Q
A
I
M
W
D
R
I
N
I
A
E
V
V
G
V
-----
Q
V
I
S
L
D
D
A
P
R
G
Y
G
E
F
D
A
G
V
P
K
--
K
F
V
I
D
P
------
58
HHSearch
74.62
31%
7
- C1 -
-
1KOL
1
FADH_PSEPU
B:
[2-391]
--------
G
N
R
G
V
V
Y
L
G
S
G
K
V
E
V
-
Q
K
I
D
--
Y
P
K
M
------
Q
DPRGKK
I
E
H
------
G
------
V
I
L
K
V
V
S
T
N
I
C
G
S
D
Q
H
M
V
R
G
R
T
T
-
A
Q
V
G
L
V
L
G
H
E
I
T
G
E
V
I
E
K
G
R
D
V
E
N
L
Q
I
G
D
L
V
S
V
P
F
N
V
-
A
C
G
R
C
R
S
C
K
E
M
H
T
G
V
C
---
L
T
V
--
N
P
A
---
R
-
A
G
G
A
------
Y
G
Y
V
D
M
-
G
---
D
W
T
-
G
G
Q
A
E
Y
V
L
V
-
P
--
Y
A
DF
N
L
L
K
L
P
D
R
-
D
K
A
M
EKIR
D
L
---
T
C
L
S
D
I
L
P
T
G
Y
H
G
A
V
T
-
A
G
V
G
P
G
S
T
V
Y
V
A
G
A
G
P
V
G
L
A
A
A
A
S
A
R
L
L
G
A
A
V
V
I
V
G
D
L
N
P
A
R
L
A
H
A
K
A
Q
-
G
F
E
I
A
D
L
S
L
-
D
T
-
P
-
L
H
E
Q
-
I
A
A
-
L
L
---
G
E
P
-
E
V
D
C
A
V
D
A
V
G
-
F
E
A
R
G
H
G
H
E
G
A
K
H
-----
E
A
P
A
T
V
---
L
N
S
L
M
Q
V
T
R
V
-
A
G
K
I
G
I
P
G
L
Y
V
--------
T
--------
E
-
D
P
G
------------
A
----
V
D
A
A
AKIGSLSIRFG
L
G
W
A
K
S
H
-
S
F
H
T
----
G
Q
T
P
V
M
------
K
Y
N
R
A
L
M
Q
A
I
M
W
D
R
I
N
I
A
E
V
V
-
G
V----
Q
V
I
S
L
D
D
A
P
R
G
Y
G
E
F
D
A
G
--
V
P
K
K
F
V
I
D
P
------
4
PsiBlast_PDB
72.87
31%
2
- C1 -
-
2DPH
2
FDM_PSEPU
A:
[4-381]
----------
K
S
V
V
Y
H
G
T
R
D
L
R
V
-
E
T
V
P
--
Y
P
K
L
EHNNRK
L
------
E
H
A
-------------
V
I
L
K
V
V
S
T
N
I
C
G
S
D
Q
H
I
Y
R
-
G
R
F
I
V
P
K
G
H
V
L
G
H
E
I
T
G
E
V
V
E
K
G
S
D
V
E
L
M
D
I
G
D
L
V
S
V
P
F
N
V
-
A
C
G
R
C
R
N
C
K
E
A
R
S
D
V
C
---
E
N
N
LV
N
P
D
---
A
D
L
G
A
-------
F
G
F
-
D
L
K
G
-----
W
S
G
G
Q
A
E
Y
V
L
V
-
P
Y
A
D
Y
--
M
L
L
K
F
G
D
K
E
Q
A
M
E
----
K
I
K
D
L
T
L
I
S
D
I
L
P
T
G
F
H
G
C
V
S
-
A
G
V
K
P
G
S
H
V
Y
I
A
G
A
G
P
V
G
R
C
A
A
A
G
A
R
L
L
G
A
A
C
V
I
V
G
D
Q
N
P
E
R
L
-
K
L
L
S
D
A
G
F
E
T
-
I
D
L
R
-
N
S
A
P
-
L
R
D
Q
-
I
D
Q
I
L
G
---
K
-
P
-
E
V
D
C
G
V
D
A
V
G
-
F
E
A
---------
H
G
L
G
D
E
A
N
T
E
T
P
N
G
A
L
N
S
L
F
D
V
V
R
A
-
G
G
A
I
G
I
P
G
I
Y
V
GSDPDPVN
K
--------
D
-
A
-
G
------------
S
----
G
R
L
H
LD
F
G
-------
K
M
W
T
K
S
I
-
R
I
M
T
----
G
M
A
P
V
T
------
N
Y
N
R
H
L
T
E
A
I
---
L
W
D
Q
M
P
Y
L
-
S
K
V
M
N
I
E
V
I
T
L
D
Q
A
P
D
G
Y
A
K
F
D
K
------------------
28
PsiBlast_CBE
71.56
31%
2
- C1 -
-
2DPH
2
FDM_PSEPU
B:
[4-381]
----------
K
S
V
V
Y
H
G
T
R
D
L
R
V
-
E
T
V
P
--
Y
P
K
L
EHNNRK
L
------
E
H
A
-------------
V
I
L
K
V
V
S
T
N
I
C
G
S
D
Q
H
I
Y
R
-
G
R
F
I
V
P
K
G
H
V
L
G
H
E
I
T
G
E
V
V
E
K
G
S
D
V
E
L
M
D
I
G
D
L
V
S
V
P
F
N
V
-
A
C
G
R
C
R
N
C
K
E
A
R
S
D
V
C
---
E
N
N
LV
N
P
D
---
A
D
L
G
A
-------
F
G
F
-
D
L
K
G
-----
W
S
G
G
Q
A
E
Y
V
L
V
-
P
Y
A
D
Y
--
M
L
L
K
F
G
D
K
E
Q
A
M
E
----
K
I
KDL
T
L
I
S
D
I
L
P
T
G
F
H
G
C
V
S
-
A
G
V
K
P
G
S
H
V
Y
I
A
G
A
G
P
V
G
R
C
A
A
A
G
A
R
L
L
G
A
A
C
V
I
V
G
D
Q
N
P
E
R
L
-
K
L
L
S
D
A
G
F
E
T
-
I
D
L
R
-
N
S
A
P
-
L
R
D
Q
-
I
D
Q
I
L
G
---
K
-
P
-
E
V
D
C
G
V
D
A
V
G
-
F
E
A
---------
H
G
L
G
D
E
A
N
T
E
T
P
NGA
L
N
S
L
F
D
V
V
R
A
-
G
G
A
I
G
I
P
G
I
Y
V
GSDPDPVN
K
--------
D
-
A
-
G
------------
S
----
G
R
L
H
LDFG-------
K
M
W
T
K
S
I
-
R
I
M
T
----
G
M
A
P
V
T
------
N
Y
N
R
H
L
T
E
A
I
---
L
W
D
Q
M
P
Y
L
-
S
KVMNI
E
V
I
T
L
D
Q
A
P
D
G
Y
A
K
F
D
K
------------------
43
HHSearch
69.18
28%
-92
- C1 -
-
4EJ6
17
?
A:
[21-362]
------
Q
S
M
M
K
A
V
R
L
E
S
V
G
N
I
S
V
-
R
N
V
G
--
I
P
-
E
------
P
------
G
P
D
------
D
------
L
L
V
K
V
E
A
C
G
I
C
G
T
D
R
H
L
L
H
G
E
F
P
-
S
T
P
P
V
T
L
G
H
E
F
C
G
I
V
V
E
A
G
S
A
V
R
D
I
A
P
G
A
R
I
T
G
D
P
N
I
-
S
C
G
R
C
P
Q
C
Q
A
G
R
V
N
L
C
---
R
N
L
--
R
----------
A
------
I
G
I
H
--------
R
D
-
G
G
F
A
E
Y
V
L
V
-
P
--
R
K
--
Q
A
F
E
I
P
L
T
-
L
D
P
V
----
H
G
---
A
-
F
C
E
P
L
A
C
C
L
H
G
V
D
L
-
S
G
I
K
A
G
S
T
V
A
I
L
G
G
G
V
I
G
L
L
T
V
Q
L
A
R
L
A
G
A
T
T
V
I
L
S
T
R
Q
A
T
K
R
R
L
A
E
E
V
-
G
A
T
A
T
V
D
P
S
-
A
G
-
D
-
V
V
E
A
-
I
A
G
-
P
V
GLV
P
-
G
-
G
V
D
V
V
I
E
C
A
G
-
V
A
--------------------
E
T
---
V
K
Q
S
T
R
L
A
K
A
-
G
G
T
V
V
I
L
G
V
L
P
--------
Q
--------
G
E
K
-
V
------------
E
----
I
E
P
F
-----------
D
I
L
F
R
E
L
-
R
V
L
G
----
S
F
I
-
N
P
------
F
V
H
R
R
A
A
D
L
V
A
T
G
A
I
E
I
D
R
M
I
-
S
-----
R
R
I
S
L
D
E
A
P
D
V
I
S
N
P
A
A
A
G
--
E
V
K
V
L
V
I
P
------
63
Fugue
67.56
27%
-12
- C1 -
-
3HUD
1
ADH1B_HUMAN
A:
[1-374]
S
T
A
G
K
V
I
K
C
K
A
A
V
L
W
E
V
K
K
P
F
S
I
-
E
D
V
E
--
V
A
P
P
-------------
K
A
Y
------
E
------
V
R
I
K
M
V
A
V
G
I
C
R
T
D
D
H
V
V
S
G
N
-
L
V
T
P
L
P
V
I
L
G
H
E
A
A
G
I
V
E
S
V
G
E
G
V
T
T
V
K
P
G
D
K
V
I
P
L
F
T
P
-
Q
C
G
K
C
R
V
C
K
N
P
E
S
N
Y
C
---
L
K
N
--
D
L
G
---
N
P
R
G
T
L
QDGTRR
F
T
C
R
G
K
P
I
---
H
H
F
-
L
G
T
S
T
F
S
Q
Y
-
T
V
V
D
E
--
N
A
V
A
K
I
D
A
A
S
P
L
E
----
K
V
---
C
L
I
G
C
G
F
S
T
G
Y
G
S
A
V
N
V
A
K
V
T
P
G
S
T
C
A
V
F
G
L
G
G
V
G
L
S
A
V
M
G
C
K
A
A
G
A
A
R
I
I
A
V
D
I
N
K
D
K
F
A
K
A
K
E
L
G
A
T
E
C
-
I
N
P
Q
-
D
Y
K
K
P
I
Q
E
V
-
L
K
E
-
M
T
---
D
-
G
-
G
V
D
F
S
F
E
V
I
G
---------------------
R
L
D
T
---
M
M
A
S
L
L
C
C
H
E
A
C
G
T
S
V
I
V
G
V
P
P
AS------
Q
--------
N
-
L
-
S
------------
I
----
N
P
M
L
-----------
L
L
T
G
R
T
W
-
K
G
A
V
Y---
G
G
F
K
S
K
------
E
G
I
P
K
L
V
A
D
F
M
A
K
K
F
S
L
D
A
L
I
-
T
-----
H
V
L
P
F
E
K
I
N
E
G
F
D
L
L
H
S
--
G
K
S
I
R
T
V
L
T
F
------
16
PsiBlast_PDB
64.44
28%
-28
- C1 -
-
1U3U
4
ADH1B_HUMAN
A:
[12-372]
-----------
A
V
L
W
E
V
K
K
P
F
S
I
-
E
D
V
E
V
A
P
P
K
A
------
Y
------
E
---------------
V
R
I
K
M
V
A
V
G
I
C
R
T
D
D
H
V
V
S
-
G
N
L
V
T
P
L
P
V
I
L
G
H
E
A
A
G
I
V
E
S
V
G
E
G
V
T
T
V
K
P
G
D
K
V
I
P
L
F
T
P
-
Q
C
G
K
C
R
V
C
K
N
P
E
S
N
Y
C
LKN
D
L
G
--
N
P
R
G--
T
L
Q
D
G
T
------
R
R
F
-
T
C
R
G
K
P
I
H
H
F
-
L
G
T
S
T
F
S
Q
Y
-
T
V
V
D
E
--
N
A
V
A
K
I
D
A
A
S
P
L
E
----
K
V
---
C
L
I
G
C
G
F
S
T
G
Y
G
S
A
V
N
V
A
K
V
T
P
G
S
T
C
A
V
F
G
L
G
G
V
G
L
S
A
V
M
G
C
K
A
A
G
A
A
R
I
I
A
V
D
I
N
K
D
K
F
A
K
A
K
E
L
G
A
T
E
C
-
I
N
P
Q
-
D
Y
K
K
-
P
I
Q
E
V
L
K
E
-
M
T
---
D
-
G
-
G
V
D
F
S
F
E
V
I
G
R
L
D
T
M
-----------------
M
A
S
---
L
L
C
C
H
E
A
C
----
G
T
S
V
I
V
G
V
----------
P
--------
P
-
A
-
S
------------
Q
N
L
S
I
N
P
M
L
-----------
L
L
T
G
R
T
W
K
G
A
V
Y
----
G
G
F
K
S
K
------
E
G
I
P
K
L
V
A
D
F
M
A
K
K
F
S
L
D
A
L
I
-
T
-----
H
V
L
P
F
E
K
I
N
E
G
F
D
L
L
H
--
S
G
K
S
I
R
T
V
L
--------
15
PsiBlast_PDB
64.38
28%
-27
- C1 -
-
1HSZ
1
ADH1B_HUMAN
A:
[12-372]
-----------
A
V
L
W
E
V
K
K
P
F
S
I
-
E
D
V
E
V
A
P
P
K
A
------
Y
------
E
---------------
V
R
I
K
M
V
A
V
G
I
C
R
T
D
D
H
V
V
S
-
G
N
L
V
T
P
L
P
V
I
L
G
H
E
A
A
G
I
V
E
S
V
G
E
G
V
T
T
V
K
P
G
D
K
V
I
P
L
F
T
P
-
Q
C
G
K
C
R
V
C
K
N
P
E
S
N
Y
C
LKN
D
L
G
--
N
P
R
G--
T
L
Q
D
G
T
------
R
R
F
-
T
C
R
G
K
P
I
H
H
F
-
L
G
T
S
T
F
S
Q
Y
-
T
V
V
D
E
--
N
A
V
A
K
I
D
A
A
S
P
L
E
----
K
V
---
C
L
I
G
C
G
F
S
T
G
Y
G
S
A
V
N
V
A
K
V
T
P
G
S
T
C
A
V
F
G
L
G
G
V
G
L
S
A
V
M
G
C
K
A
A
G
A
A
R
I
I
A
V
D
I
N
K
D
K
F
A
K
A
K
E
L
G
A
T
E
C
-
I
N
P
Q
-
D
Y
K
K
-
P
I
Q
E
V
L
K
E
-
M
T
---
D
-
G
-
G
V
D
F
S
F
E
V
I
G
R
L
D
T
M
-----------------
M
A
S
---
L
L
C
C
H
E
A
C
----
G
T
S
V
I
V
G
V
----------
P
--------
P
-
A
-
S
------------
Q
N
L
S
I
N
P
M
L
-----------
L
L
T
G
R
T
W
K
G
A
V
Y
----
G
G
F
K
S
K
------
E
G
I
P
K
L
V
A
D
F
M
A
K
K
F
S
L
D
A
L
I
-
T
-----
H
V
L
P
F
E
K
I
N
E
G
F
D
L
L
H
--
S
G
K
S
I
R
T
V
L
--------
9
PsiBlast_PDB
64.17
28%
-18
- C1 -
-
1HSO
3
ADH1A_HUMAN
A:
[12-372]
-----------
A
V
L
W
E
L
K
K
P
F
S
I
-
E
E
V
E
V
A
P
P
K
A
------
H
------
E
---------------
V
R
I
K
M
V
A
V
G
I
C
G
T
D
D
H
V
V
S
-
G
T
M
V
T
P
L
P
V
I
L
G
H
E
A
A
G
I
V
E
S
V
G
E
G
V
T
T
V
K
P
G
D
K
-
V
I
P
L
A
I
P
Q
C
G
K
C
R
I
C
K
N
P
E
S
N
Y
C
LKN
D
V
S
--
N
P
Q
GTL
Q
D
G
T
S
R
------
F
T
C
R
R
K
P
I
---
H
H
F
-
L
G
I
S
T
F
S
Q
Y
-
T
V
V
D
E
--
N
A
V
A
K
I
D
A
A
S
P
L
E
----
K
V
---
C
L
I
G
C
G
F
S
T
G
Y
G
S
A
V
N
V
A
K
V
T
P
G
S
T
C
A
V
F
G
L
G
G
V
G
L
S
A
I
M
G
C
K
A
A
G
A
A
R
I
I
A
V
D
I
N
K
D
K
F
A
K
A
K
E
L
G
A
T
E
C
-
I
N
P
Q
-
D
Y
K
K
-
P
I
Q
E
V
L
K
E
-
M
T
---
D
-
G
-
G
V
D
F
S
F
E
V
I
G
R
L
D
T
M
-----------------
M
A
S
---
L
L
C
C
H
E
A
C
----
G
T
S
V
I
V
G
V
-------------------
P
-
P
-
D
------------
S
----
Q
N
L
S
-----------
M
N
P
M
L
L
L
-
T
G
R
T
----
W
K
G
A
I
L
GGFKSK
E
C
V
P
K
L
V
A
D
F
M
A
K
K
F
S
L
D
A
L
I
-
T
-----
H
V
L
P
F
E
K
I
N
E
G
F
D
L
L
--
H
S
G
K
S
I
R
T
I
L
--------
14
PsiBlast_PDB
63.82
28%
-24
- C1 -
-
1DEH
2
ADH1B_HUMAN
A:
[12-372]
-----------
A
V
L
W
E
V
K
K
P
F
S
I
-
E
D
V
E
V
A
P
P
K
A
------
Y
------
E
---------------
V
R
I
K
M
V
A
V
G
I
C
R
T
D
D
H
V
V
S
-
G
N
L
V
T
P
L
P
V
I
L
G
H
E
A
A
G
I
V
E
S
V
G
E
G
V
T
T
V
K
P
G
D
K
V
I
P
L
F
T
P
-
Q
C
G
K
C
R
V
C
K
N
P
E
S
N
Y
C
LKN
D
L
G
--
N
P
R
G--
T
L
Q
D
G
T
------
R
R
F
-
T
C
R
G
K
P
I
H
H
F
-
L
G
T
S
T
F
S
Q
Y
-
T
V
V
D
E
--
N
A
V
A
K
I
D
A
A
S
P
L
E
----
K
V
---
C
L
I
G
C
G
F
S
T
G
Y
G
S
A
V
N
V
A
K
V
T
P
G
S
T
C
A
V
F
G
L
G
G
V
G
L
S
A
V
M
G
C
K
A
A
G
A
A
R
I
I
A
V
D
I
N
K
D
K
F
A
K
A
K
E
L
G
A
T
E
C
-
I
N
P
Q
-
D
Y
K
K
-
P
I
Q
E
V
L
K
E
-
M
T
---
D
-
G
-
G
V
D
F
S
F
E
V
I
G
R
L
D
T
M
-----------------
M
A
S
---
L
L
C
C
H
E
A
C
----
G
T
S
V
I
V
G
V
----------
P
--------
P
-
A
-
S
------------
Q
N
L
S
I
N
P
M
L
-----------
L
L
T
G
R
T
W
K
G
A
V
Y
----
G
G
F
K
S
K
------
E
G
I
P
K
L
V
A
D
F
M
A
K
K
F
S
L
D
A
L
I
-
T
-----
H
V
L
P
F
E
K
I
N
E
G
F
D
L
L
H
--
S
G
K
S
I
R
T
V
L
--------
19
PsiBlast_PDB
63.01
28%
-25
- C1 -
-
1HDY
2
ADH1B_HUMAN
A:
[12-372]
-----------
A
V
L
W
E
V
K
K
P
F
S
I
-
E
D
V
E
V
A
P
P
K
A
------
Y
------
E
---------------
V
R
I
K
M
V
A
V
G
I
C
H
T
D
D
H
V
V
S
-
G
N
L
V
T
P
L
P
V
I
L
G
H
E
A
A
G
I
V
E
S
V
G
E
G
V
T
T
V
K
P
G
D
K
V
I
P
L
F
T
P
-
Q
C
G
K
C
R
V
C
K
N
P
E
S
N
Y
C
LKN
D
L
G
--
N
P
R
G--
T
L
Q
D
G
T
------
R
R
F
-
T
C
R
G
K
P
I
H
H
F
-
L
G
T
S
T
F
S
Q
Y
-
T
V
V
D
E
--
N
A
V
A
K
I
D
A
A
S
P
L
E
----
K
V
---
C
L
I
G
C
G
F
S
T
G
Y
G
S
A
V
N
V
A
K
V
T
P
G
S
T
C
A
V
F
G
L
G
G
V
G
L
S
A
V
M
G
C
K
A
A
G
A
A
R
I
I
A
V
D
I
N
K
D
K
F
A
K
A
K
E
L
G
A
T
E
C
-
I
N
P
Q
-
D
Y
K
K
-
P
I
Q
E
V
L
K
E
-
M
T
---
D
-
G
-
G
V
D
F
S
F
E
V
I
G
R
L
D
T
M
-----------------
M
A
S
---
L
L
C
C
H
E
A
C
----
G
T
S
V
I
V
G
V
----------
P
--------
P
-
A
-
S
------------
Q
N
L
S
I
N
P
M
L
-----------
L
L
T
G
R
T
W
K
G
A
V
Y
----
G
G
F
K
S
K
------
E
G
I
P
K
L
V
A
D
F
M
A
K
K
F
S
L
D
A
L
I
-
T
-----
H
V
L
P
F
E
K
I
N
E
G
F
D
L
L
H
--
S
G
K
S
I
R
T
V
L
--------
17
PsiBlast_PDB
63.00
28%
-28
- C1 -
-
1U3V
4
ADH1B_HUMAN
A:
[12-372]
-----------
A
V
L
W
E
V
K
K
P
F
S
I
-
E
D
V
E
V
A
P
P
K
A
------
Y
------
E
---------------
V
R
I
K
M
V
A
V
G
I
C
R
T
D
D
H
V
V
S
-
G
N
L
V
T
P
L
P
V
I
L
G
H
E
A
A
G
I
V
E
S
V
G
E
G
V
T
T
V
K
P
G
D
K
V
I
P
L
F
T
P
-
Q
C
G
K
C
R
V
C
K
N
P
E
S
N
Y
C
LKN
D
L
G
--
N
P
R
G--
T
L
Q
D
G
T
------
R
R
F
-
T
C
R
G
K
P
I
H
H
F
-
L
G
T
S
T
F
S
Q
Y
-
T
V
V
D
E
--
N
A
V
A
K
I
D
A
A
S
P
L
E
----
K
V
---
C
L
I
G
C
G
F
S
T
G
Y
G
S
A
V
N
V
A
K
V
T
P
G
S
T
C
A
V
F
G
L
G
G
V
G
L
S
A
V
M
G
C
K
A
A
G
A
A
R
I
I
A
V
D
I
N
K
D
K
F
A
K
A
K
E
L
G
A
T
E
C
-
I
N
P
Q
-
D
Y
K
K
-
P
I
Q
E
V
L
K
E
-
M
T
---
D
-
G
-
G
V
D
F
S
F
E
V
I
G
R
L
D
T
M
-----------------
M
A
S
---
L
L
C
C
H
E
A
C
----
G
T
S
V
I
V
G
V
----------
P
--------
P
-
A
-
S
------------
Q
N
L
S
I
N
P
M
L
-----------
L
L
T
G
R
T
W
K
G
A
V
Y
----
G
G
F
K
S
K
------
E
G
I
P
K
L
V
A
D
F
M
A
K
K
F
S
L
D
A
L
I
-
T
-----
H
V
L
P
F
E
K
I
N
E
G
F
D
L
L
H
--
S
G
K
S
I
R
T
V
L
--------
56
HHSearch
62.54
23%
-27
- C1 -
-
4C4O
4
?
B:
[2-336]
----
S
I
P
S
S
Q
Y
G
F
V
F
N
K
Q
S
G
L
N
L
R
N
D
L
P
--
V
H
-
K
------
P
------
K
A
G
------
Q
------
L
L
L
K
V
D
A
V
G
L
C
H
S
D
L
H
V
I
Y
E
G
L
D
-
C
G
D
N
Y
V
M
G
H
E
I
A
G
T
V
A
A
V
G
D
D
V
I
N
Y
K
V
G
D
R
V
A
C
V
G
P
N
-
G
C
G
G
C
K
Y
C
R
G
A
I
D
N
V
C
---
K
N
A
--
F
G
--------
D
W
------
F
G
L
--------
G
Y
D
-
G
G
Y
Q
Q
Y
L
L
V
T
R
--
P
R
--
N
L
S
R
I
P
D
N
-
V
S
A
D
----
V
A
---
A
A
S
T
D
A
V
L
T
P
Y
H
A
I
K
M
-
A
Q
V
S
P
T
S
N
I
L
L
I
G
A
G
G
L
G
G
N
A
I
Q
V
A
K
A
F
G
A
-
K
V
T
V
L
D
K
K
K
E
A
R
D
Q
A
K
K
L
-
G
A
D
A
V
Y
E
T
L
-
P
E
----------
S
-
I
S
---
P
-
G
-
S
F
S
A
C
F
D
F
V
S
-
V
Q
--------------------
A
T
---
F
D
V
C
Q
K
Y
V
E
P
-
K
G
V
I
M
P
V
G
L
G
A
--------
P
--------
N
---
L
------------
S
----
F
N
L
G
-----------
D
L
A
L
R
E
I
-
R
I
L
G
----
S
F
W
G
T
T
------
N
D
L
D
D
V
L
K
L
V
S
E
G
K
V
K
P
--
V
V
-------
R
S
A
K
L
K
E
L
P
E
Y
I
E
K
L
R
N
N
A
-
Y
E
G
R
V
V
F
N
P
------
8
PsiBlast_PDB
62.31
28%
-27
- C1 -
-
1HDZ
2
ADH1B_HUMAN
A:
[12-372]
-----------
A
V
L
W
E
V
K
K
P
F
S
I
-
E
D
V
E
V
A
P
P
K
A
------
Y
------
E
---------------
V
R
I
K
M
V
A
V
G
I
C
G
T
D
D
H
V
V
S
-
G
N
L
V
T
P
L
P
V
I
L
G
H
E
A
A
G
I
V
E
S
V
G
E
G
V
T
T
V
K
P
G
D
K
V
I
P
L
F
T
P
-
Q
C
G
K
C
R
V
C
K
N
P
E
S
N
Y
C
LKN
D
L
G
--
N
P
R
G--
T
L
Q
D
G
T
------
R
R
F
-
T
C
R
G
K
P
I
H
H
F
-
L
G
T
S
T
F
S
Q
Y
-
T
V
V
D
E
--
N
A
V
A
K
I
D
A
A
S
P
L
E
----
K
V
---
C
L
I
G
C
G
F
S
T
G
Y
G
S
A
V
N
V
A
K
V
T
P
G
S
T
C
A
V
F
G
L
G
G
V
G
L
S
A
V
M
G
C
K
A
A
G
A
A
R
I
I
A
V
D
I
N
K
D
K
F
A
K
A
K
E
L
G
A
T
E
C
-
I
N
P
Q
-
D
Y
K
K
-
P
I
Q
E
V
L
K
E
-
M
T
---
D
-
G
-
G
V
D
F
S
F
E
V
I
G
R
L
D
T
M
-----------------
M
A
S
---
L
L
C
C
H
E
A
C
----
G
T
S
V
I
V
G
V
----------
P
--------
P
-
A
-
S
------------
Q
N
L
S
I
N
P
M
L
-----------
L
L
T
G
R
T
W
K
G
A
V
Y
----
G
G
F
K
S
K
------
E
G
I
P
K
L
V
A
D
F
M
A
K
K
F
S
L
D
A
L
I
-
T
-----
H
V
L
P
F
E
K
I
N
E
G
F
D
L
L
--
H
S
G
K
S
I
R
T
V
L
--------
10
PsiBlast_PDB
62.26
28%
-21
- C1 -
-
1U3T
3
ADH1A_HUMAN
A:
[12-372]
-----------
A
V
L
W
E
L
K
K
P
F
S
I
-
E
E
V
E
V
A
P
P
K
A
------
H
------
E
---------------
V
R
I
K
M
V
A
V
G
I
C
G
T
D
D
H
V
V
S
-
G
T
M
V
T
P
L
P
V
I
L
G
H
E
A
A
G
I
V
E
S
V
G
E
G
V
T
T
V
K
P
G
D
K
-
V
I
P
L
A
I
P
Q
C
G
K
C
R
I
C
K
N
P
E
S
N
Y
C
LKN
D
V
S
--
N
P
Q
GTL
Q
D
G
T
S
R
------
F
T
C
R
R
K
P
I
---
H
H
F
-
L
G
I
S
T
F
S
Q
Y
-
T
V
V
D
E
--
N
A
V
A
K
I
D
A
A
S
P
L
E
----
K
V
---
C
L
I
G
C
G
F
S
T
G
Y
G
S
A
V
N
V
A
K
V
T
P
G
S
T
C
A
V
F
G
L
G
G
V
G
L
S
A
I
M
G
C
K
A
A
G
A
A
R
I
I
A
V
D
I
N
K
D
K
F
A
K
A
K
E
L
G
A
T
E
C
-
I
N
P
Q
-
D
Y
K
K
-
P
I
Q
E
V
L
K
E
-
M
T
---
D
-
G
-
G
V
D
F
S
F
E
V
I
G
R
L
D
T
M
-----------------
M
A
S
---
L
L
C
C
H
E
A
C
----
G
T
S
V
I
V
G
V
-------------------
P
-
P
-
D
------------
S
----
Q
N
L
S
-----------
M
N
P
M
L
L
L
-
T
G
R
T
----
W
K
G
A
I
L
GGFKSK
E
C
V
P
K
L
V
A
D
F
M
A
K
K
F
S
L
D
A
L
I
-
T
-----
H
V
L
P
F
E
K
I
N
E
G
F
D
L
L
--
H
S
G
K
S
I
R
T
I
L
--------