@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 : I3TZ52: (2017-12-16 )
MDNPEISVVPVPETEIKKITLKNDYLEVVLLNYGARLHQIFAPDKEGKSENVLLSYDRFEDVLTDKSFFGATVGPVAGRIRDASWGEHRLEKNCGSHHIHGGTKGWSFQFWEVEVFKTPSSIGVVFYLKDEFSTYPGPITATITYRLTKNELEMTTSASSLVETICNPTNHAYFNLSGNGTRDIYEHQLTVFLDGVLELDQEKLPTGNWTKKEKLPIDFRKSPTLQEILACYPDGLDDVFLLHHPRLSKTSLQLFEKHSGRQMTIATSNKSMVLFSTTGFEADFSVNGKQMHSNYGLAIEPQEIPDIVHFPKFGSINLHPGQERISQTIYRFSAQ
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...
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MDNP
E
I
S
V
V
PVPET
E
I
K
K
I
T
LKN-D--
Y
-
L
E
V
V
L
L
NYG
A
R
L
H
Q
IFAPDKEGKSE
N
V
L
L
S
Y
-
D
R
F
E
D
V
LT-DKSFFGATV
G
P
VAGRIRDA----SW----
G
----
E
H
R
L
E
KNCGSHHIHGGTKG
W
S
--
F
---
Q
F
W
E
V
E
V
F
KTP--SS
I
G
V
V
F
Y
--L--K---DEFSTYPG
P
I
T
A
T
I
T
Y
R
L
-T-K-
N
--
E
L
E
MTT
S
A
-
S
-
S
L
V
E
T
I
CNPT
N
H
A
Y
F
N
LSGNGT
R
-
D
I
Y
E
H
Q
L
T
V
F
L
D
G
V
L
E
L
-
D
-
Q
-EKLPT-G-NWTKKEKLPIDFRKSP
T
L
Q
E
I
L
------
A
---C---Y--P-D------GLD---
D
V
F
L
LHH--PR-----------L
S
K
T
S
L
Q
L
F
E
KHSG
R
Q
M
T
I
ATSNK
S
M
V
L
F
STT-GFEA
D
-
F
-S-VNG
K
Q
MHSNY
G
L
A
I
E
P
Q
---EIPDIVHFPKF-G
S
I
NLH
P
G
Q
E
R
I
S
Q
T
I
Y
R
FSAQ
32
HHSearch
91.30
29%
-8
- C- -
-
1SNZ
-
GALM_HUMAN
A:
[16-341]
------------
G
G
T
V
E
K
F
Q
L
Q
S
-
D
--
L
-
L
R
V
D
I
I
S
W
G
C
T
I
T
A
L
E
V
K
D
R
Q
G
R
A
S
D
V
V
L
G
F
-
A
E
L
E
G
Y
L
Q
-
K
Q
P
Y
F
G
A
V
I
G
R
V
A
N
R
I
A
K
G
----
T
F
----
K
V
DG
K
E
Y
H
L
A
I
N
K
E
P
N
S
L
H
G
G
---
V
R
--
G
FDK
V
L
W
T
P
R
V
L
S
------
N
G
V
Q
F
S
R
I
S
--
P
---
D
G
E
E
G
Y
P
G
E
L
K
V
W
V
T
Y
T
L
-
D
-
G
-
G
--
E
L
I
V
N
Y
R
A
Q
A
--
S
Q
A
T
P
V
N
L
T
N
H
S
Y
F
N
L
A
G
Q
A
S
P
-
N
I
N
D
H
E
V
T
I
E
A
D
T
Y
L
P
V
-
D
-
E
-
T
L
I
P
T
-
G
-
E
V
A
P
V
Q
G
T
A
F
D
L
R
K
P
V
E
L
G
K
H
L
------
Q
---
D
---
F
--
H
L
N
------
G
F
D
---
H
N
F
C
L
K
G
--
S
K
-----------
E
K
H
F
C
A
R
V
H
H
A
A
S
G
R
V
L
E
V
Y
T
T
Q
P
G
V
Q
F
Y
T
G
N
-
F
L
D
G
T
-
L
K
G
-
K
N
G
A
V
Y
P
K
H
S
G
F
C
L
E
T
Q
---
N
W
P
D
A
V
N
Q
P
R
F
-
P
P
V
L
L
R
P
G
E
E
Y
D
H
T
T
W
F
K
F
S
V
-
2
PsiBlast_PDB
85.58
27%
5
- C3 -
-
1SO0
1
GALM_HUMAN
A:
[14-342]
--------
L
P
S
G
G
G
T
V
E
K
F
Q
L
Q
S
-
D
--
L
-
L
R
V
D
I
I
S
W
G
C
T
I
T
A
L
E
V
K
D
R
Q
G
R
A
S
D
V
V
L
G
F
-
A
E
L
E
G
Y
L
Q
-
K
Q
P
Y
F
G
A
V
I
G
R
V
A
N
R
I
A
K
G
----
T
F
----
K
V
DG
K
E
Y
H
L
A
I
N
K
E
P
N
S
L
H
G
G
V
R
G
F
D
--
K
---
V
L
W
T
P
R
V
L
------
S
N
G
V
Q
F
S
--
R
I
S
P
---
D
G
E
E
G
Y
P
G
E
L
K
V
W
V
T
Y
T
L
-
D
-
G
-
G
--
E
L
I
V
N
Y
R
A
-
Q
-
A
S
Q
A
T
P
V
N
L
T
N
H
S
Y
F
N
L
A
G
Q
A
S
P
-
N
I
N
D
H
E
V
T
I
E
A
D
T
Y
L
P
V
-
D
-
E
-
T
L
I
P
T
-
G
-
E
V
A
P
V
Q
G
T
A
F
D
L
R
K
P
V
E
L
G
K
H
L
------
Q
---
D
---
F
--
H
L
N
------
G
F
D
---
H
N
F
C
L
K
G
--
S
K
-----------
E
K
H
F
C
A
R
V
H
H
A
A
S
G
R
V
L
E
V
Y
T
T
Q
P
G
V
Q
F
Y
T
G
N
-
F
L
D
G
T
-
L
K
G
-
K
N
G
A
V
Y
P
K
H
S
G
F
C
L
E
T
Q
---
N
W
P
D
A
V
N
Q
P
R
F
-
P
P
V
L
L
R
P
G
E
E
Y
D
H
T
T
W
F
K
F
S
--
1
PsiBlast_PDB
83.56
27%
9
- C- -
-
1SNZ
-
GALM_HUMAN
A:
[12-340]
--------
L
P
S
G
G
G
T
V
E
K
F
Q
L
Q
S
-
D
--
L
-
L
R
V
D
I
I
S
W
G
C
T
I
T
A
L
E
V
K
D
R
Q
G
R
A
S
D
V
V
L
G
F
-
A
E
L
E
G
Y
L
Q
-
K
Q
P
Y
F
G
A
V
I
G
R
V
A
N
R
I
A
K
G
----
T
F
----
K
V
DG
K
E
Y
H
L
A
I
N
K
E
P
N
S
L
H
G
G
V
R
G
F
D
--
K
---
V
L
W
T
P
R
V
L
------
S
N
G
V
Q
F
S
--
R
I
S
P
---
D
G
E
E
G
Y
P
G
E
L
K
V
W
V
T
Y
T
L
-
D
-
G
-
G
--
E
L
I
V
N
Y
R
A
-
Q
-
A
S
Q
A
T
P
V
N
L
T
N
H
S
Y
F
N
L
A
G
Q
A
S
P
-
N
I
N
D
H
E
V
T
I
E
A
D
T
Y
L
P
V
-
D
-
E
-
T
L
I
P
T
-
G
-
E
V
A
P
V
Q
G
T
A
F
D
L
R
K
P
V
E
L
G
K
H
L
------
Q
---
D
---
F
--
H
L
N
------
G
F
D
---
H
N
F
C
L
K
G
--
S
K
-----------
E
K
H
F
C
A
R
V
H
H
A
A
S
G
R
V
L
E
V
Y
T
T
Q
P
G
V
Q
F
Y
T
G
N
-
F
L
D
G
T
-
L
K
G
-
K
N
G
A
V
Y
P
K
H
S
G
F
C
L
E
T
Q
---
N
W
P
D
A
V
N
Q
P
R
F
-
P
P
V
L
L
R
P
G
E
E
Y
D
H
T
T
W
F
K
F
S
--
35
HHSearch
80.40
29%
24
- C3 -
-
4RNL
2
?
A:
[18-342]
-----------
D
G
T
R
V
D
R
W
T
L
E
S
-
G
PA
G
-
L
R
V
R
V
L
T
Y
G
G
I
V
Q
T
V
E
A
P
D
R
D
G
M
R
G
Q
L
A
L
G
F
-
A
D
L
A
S
Y
A
A
H
G
G
S
Y
F
G
A
L
V
G
R
Y
A
N
R
I
A
G
A
----
S
F
----
V
L
DG
R
T
D
A
L
T
P
N
N
G
R
H
S
L
H
G
G
P
G
G
F
S
--
R
---
V
V
W
D
A
R
E
V
D
------
G
G
V
Q
L
H
R
V
S
--
P
---
D
G
E
E
G
F
P
G
A
L
D
V
R
V
T
Y
T
L
-
S
-
A
-
G
--
A
L
R
I
V
S
C
A
T
T
--
D
A
P
T
V
V
N
L
T
N
H
T
Y
L
N
L
G
G
D
G
S
G
-
S
A
A
G
H
E
L
R
L
A
A
S
R
Y
T
P
V
-
D
-
G
-
T
G
I
P
V
-
P
G
A
P
A
E
V
T
G
T
R
F
D
F
R
A
A
R
A
V
A
G
----------------------------
A
Y
D
---
H
N
F
A
L
D
G
--
G
V
RE---------
A
P
R
T
V
A
E
L
Y
D
P
R
S
G
R
A
L
A
L
A
T
T
E
P
G
L
Q
L
Y
T
A
D
-
H
L
D
G
T
L
T
-
G
-
T
S
G
V
P
Y
G
P
A
A
G
L
A
L
E
T
Q
---
H
F
P
D
S
P
N
R
P
D
F
-
P
S
T
V
L
R
P
G
E
S
Y
R
S
E
T
V
Y
A
F
S
V
-
34
HHSearch
80.30
29%
24
- C3 -
-
4RNL
2
?
B:
[18-342]
-----------
D
G
T
R
V
D
R
W
T
L
E
S
-
G
PA
G
-
L
R
V
R
V
L
T
Y
G
G
I
V
Q
T
V
E
A
P
D
R
D
G
M
R
G
Q
L
A
L
G
F
-
A
D
L
A
S
Y
A
A
H
G
G
S
Y
F
G
A
L
V
G
R
Y
A
N
R
I
A
G
A
----
S
F
----
V
L
DG
R
T
D
A
L
T
P
N
N
G
R
H
S
L
H
G
G
P
G
G
F
S
--
R
---
V
V
W
D
A
R
E
V
D
------
G
G
V
Q
L
H
R
V
S
--
P
---
D
G
E
E
G
F
P
G
A
L
D
V
R
V
T
Y
T
L
-
S
-
A
-
G
--
A
L
R
I
V
S
C
A
T
T
--
D
A
P
T
V
V
N
L
T
N
H
T
Y
L
N
L
G
G
D
G
S
G
-
S
A
A
G
H
E
L
R
L
A
A
S
R
Y
T
P
V
-
D
-
G
-
T
G
I
P
V
-
P
G
A
P
A
E
V
T
G
T
R
F
D
F
R
A
A
R
A
V
A
G
----------------------------
A
Y
D
---
H
N
F
A
L
D
G
--
G
V
RE---------
A
P
R
T
V
A
E
L
Y
D
P
R
S
G
R
A
L
A
L
A
T
T
E
P
G
L
Q
L
Y
T
A
D
-
H
L
D
G
T
L
T
-
G
-
T
S
G
V
P
Y
G
P
A
A
G
L
A
L
E
T
Q
---
H
F
P
D
S
P
N
R
P
D
F
-
P
S
T
V
L
R
P
G
E
S
Y
R
S
E
T
V
Y
A
F
S
V
-
33
HHSearch
79.67
28%
14
- C3 -
-
1LUR
-
?
B:
[12-337]
--------------
S
G
F
I
E
I
A
N
K
-
Q
--
G
-
L
T
A
T
L
L
P
F
G
A
T
L
A
K
L
T
F
P
D
K
N
G
K
N
Q
D
L
V
L
G
F
-
D
T
I
D
E
F
E
K
-
D
A
A
S
I
G
K
T
V
G
R
V
A
N
R
I
K
N
S
----
T
L
----
H
FDGK
Q
Y
T
M
T
P
N
N
G
P
H
Y
L
H
G
G
P
N
G
L
G
--
Y
---
R
K
W
E
V
V
R
H
A
P
-----
E
S
V
S
F
S
VR
A
--
N
---
E
Q
D
D
G
L
P
G
D
A
K
I
D
V
T
Y
T
V
-
N
-
D
R
N
--
Q
L
I
I
E
H
H
--
A
T
C
D
T
P
G
L
L
A
L
T
N
H
A
Y
W
N
L
D
G
S
D
---
T
V
A
E
H
F
L
E
M
E
A
D
E
F
V
E
V
-
D
-
D
-
T
F
C
P
T
-
G
-
A
I
R
S
V
T
D
T
G
F
D
F
R
S
G
K
Q
L
K
E
S
G
------
K
D--
A
---
E
--
E
L
L
------
D
L
D
---
N
D
L
V
I
T
K
--
K
T
P------------
S
T
Y
L
R
F
W
S
E
K
S
G
I
E
L
S
I
T
T
S
Y
P
V
I
H
L
Y
A
S
K
-
F
L
D
C
K
-
G
---
K
K
G
E
H
Y
K
A
N
K
A
L
A
I
E
P
Q
---
F
H
S
A
A
P
N
F
D
H
F
-
P
D
V
S
L
R
P
G
D
H
Y
C
Q
E
I
V
Y
T
F
S
H
-
3
PsiBlast_PDB
77.23
29%
22
- C3 -
-
1LUR
-
?
A:
[23-336]
-----------------------------
L
T
A
T
L
L
P
F
G
A
T
L
A
K
L
T
F
P
D
K
N
G
K
N
Q
D
L
V
L
G
F
-
D
T
I
D
E
F
E
K
-
D
A
A
S
I
G
K
T
V
G
R
V
A
N
R
I
K
N
S
----
T
L
H
F
DG
K
----
Q
Y
T
M
T
P
N
N
G
P
H
Y
L
H
G
G
P
N
G
L
G
--
Y
---
R
K
W
E
V
-
V
R
H
A
P
--
E
S
V
S
F
S
V
R
--
A
--
N
---
E
Q
D
D
G
L
P
G
D
A
K
I
D
V
T
Y
T
V
-
N
D
R
-
N
--
Q
L
I
I
E
H
H
A
-
T
-
C
D
T
P
G
L
L
A
L
T
N
H
A
Y
W
N
L
D
G
S
D
T
---
V
A
E
H
F
L
E
M
E
A
D
E
F
V
E
V
-
D
-
D
-
T
F
C
P
T
-
G
-
A
I
R
S
V
T
D
T
G
F
D
F
R
S
G
K
Q
L
K
E
S
G
------
K
---
D
---
A
--
E
-
E
------
L
L
D
L
D
N
D
L
V
I
T
K
K
TP---------------
S
T
Y
L
R
F
W
S
E
K
S
G
I
E
L
S
I
T
T
S
Y
P
V
I
H
L
Y
A
S
K
-
F
L
D
C
K
---
G
-
K
K
G
E
H
Y
K
A
N
K
A
L
A
I
E
P
Q
F
HS
A
A
P
N
F
D
H
F
P
----
D
V
S
L
R
P
G
D
H
Y
C
Q
E
I
V
Y
T
F
S
--
4
PsiBlast_PDB
75.82
27%
24
- C3 -
-
4RNL
2
?
A:
[20-343]
-------------
T
R
V
D
R
W
T
L
E
S
-
G
PA
G
-
L
R
V
R
V
L
T
Y
G
G
I
V
Q
T
V
E
A
P
D
R
D
G
M
R
G
Q
L
A
L
G
F
A
D
L
A
S
Y
A
A
H
-
G
G
S
Y
F
G
A
L
V
G
R
Y
A
N
R
I
A
G
A
----
S
F
V
L
DG
R
----
T
D
A
L
T
P
N
N
G
R
H
S
L
H
G
G
P
G
G
F
S
--
R
---
V
V
W
D
A
R
--
E
V
D
--
G
G
V
Q
L
H
R
V
--
S
--
P
---
D
G
E
E
G
F
P
G
A
L
D
V
R
V
T
Y
T
L
-
S
-
A
-
G
--
A
L
R
I
V
S
C
A
-
T
-
T
D
A
P
T
V
V
N
L
T
N
H
T
Y
L
N
L
G
G
D
G
S
G
-
S
A
A
G
H
E
L
R
L
A
A
S
R
Y
T
P
V
-
D
-
G
-
T
G
I
P
V
P
G
-
A
P
A
E
V
T
G
T
R
F
D
F
R
A
A
---
R
A
V
A
------
G
---
A
---
Y
--
D
-
H
------
N
F
A
L--
D
G
G
V
R
E
A
--
P
R
--------------
T
V
A
E
L
Y
D
P
R
S
G
R
A
L
A
L
A
T
T
E
P
G
L
Q
L
Y
T
A
D
-
H
L
D
G
T
-
L
-
T
G
T
S
G
V
P
Y
G
P
A
A
G
L
A
L
E
T
Q
---
H
F
P
D
S
P
N
R
P
D
F
-
P
S
T
V
L
R
P
G
E
S
Y
R
S
E
T
V
Y
A
F
S
V
R
37
HHSearch
75.14
29%
20
- C3 -
-
3IMH
3
?
B:
[15-331]
------------
N
K
D
L
C
E
I
T
L
E
N
D
A
--
G
-
M
A
V
K
V
L
N
Y
G
A
T
L
E
K
V
L
L
D
G
E
-----
N
M
I
L
S
L
-
N
S
P
E
D
Y
S
K
-
E
R
N
F
L
G
G
T
V
G
R
I
A
G
R
V
R
A
G
----
Q
W
----
K
HGNE
I
H
Q
L
P
L
N
D
G
D
N
H
I
H
G
G
---
I
G
TD
M
---
H
V
W
D
F
R
P
S
C
D
S
--
E
H
A
R
V
D
L
T
LF
D
--
P
---
D
G
N
N
D
Y
P
G
N
L
K
L
H
A
R
Y
E
L
-
D
-
N
-
E
N-
N
L
H
Y
L
L
E
A
V
S
--
D
K
L
T
I
F
N
P
V
N
H
T
Y
F
N
L
G
E
R
A
-----
E
D
L
N
L
Q
M
N
A
D
Y
Y
L
P
V
-
D
-
E
-
A
G
L
P
D
-
R
-
G
M
A
E
V
A
G
T
A
F
D
F
R
K
T
K
R
I
G
D
A
L
------
N
---
S
DDS
Q
IK
L
R
N
------
G
L
D
---
H
P
F
I
L
N
G
--
N
--------------
N
-
P
A
A
L
L
S
S
-
N
K
H
R
L
I
V
K
T
N
A
P
A
L
V
L
Y
A
G
N
-
H
F
N
H
T
-
G
----
I
V
N
N
I
G
Q
Y
D
G
I
T
F
E
A
Q
---
C
P
P
A
E
G
N
D
--
L
-
G
Q
I
T
L
L
P
F
E
K
F
K
R
T
V
D
W
K
F
E
E
-
38
HHSearch
71.42
24%
20
- C3 -
-
1YGA
-
YN9A_YEAST
A:
[7-342]
------------
D
N
K
Y
G
V
I
T
I
G
D
E
K
--
K
-
F
Q
A
T
I
A
P
L
G
A
T
L
V
D
L
K
V
N
G
Q
-----
S
V
V
Q
G
Y
-
S
N
V
Q
D
Y
L
T
-
D
G
N
M
M
G
A
T
V
G
R
Y
A
N
R
I
A
K
G
----
V
F
----
S
L
DD
G
P
H
K
L
T
V
N
N
C
G
N
T
N
H
S
S
---
I
S
--
S
LNL
K
Q
Y
K
A
S
P
V
E
N
P
SK
G
V
Y
V
V
E
F
K
L
-
L
D-
D
HTQ
P
N
P
N
E
F
P
G
D
L
E
V
T
V
K
Y
T
L
-
N
-
V
-
A
EM
T
L
D
M
E
Y
Q
A
Q
L
V
R
G
D
A
T
P
I
N
M
T
N
H
S
Y
F
N
L
N
K
V
K
S
E
K
S
I
R
G
T
E
V
K
V
C
S
N
K
S
L
E
V
-
T
-
E
G
A
L
L
P
T
-
G
-
K
I
I
E
R
N
I
A
T
F
D
S
T
K
P
T
V
L
H
E
D
T
-------------------
P
------
V
F
D
---
C
T
F
I
I
D
A
--
N
K
DLKTTD
S
V
S
V
N
K
L
V
P
V
F
K
A
Y
H
P
E
S
H
I
K
F
E
V
S
T
T
E
P
T
V
H
L
Y
T
G
D
-
N
L
----------
C
G
K
F
V
P
R
S
G
F
A
V
Q
Q
G
---
R
Y
V
D
A
I
N
R
D
E
W
R
G
C
V
L
L
K
R
G
E
V
Y
T
S
K
T
Q
Y
K
F
D
I
-
31
HHSearch
69.61
27%
41
* C3 *
-
1NSX
1
?
B:
[10-338]
-------------
L
G
S
D
L
I
S
L
T
N
K
A
--
G
-
V
T
I
S
F
T
N
L
G
A
R
I
V
D
W
Q
K
D
G
K
-----
H
L
I
L
G
F
-
D
S
A
K
E
Y
L
E
-
K
D
A
Y
P
G
A
T
V
G
P
T
A
G
R
I
K
D
G
----
L
V
----
K
ISGK
D
Y
I
L
N
Q
N
E
G
P
Q
T
L
H
G
G
E
E
S
I
H
--
T
---
K
L
W
T
Y
E
V
T
D
L
G
--
A
E
V
Q
V
K
F
S
LV
S
--
N
---
D
G
T
N
G
Y
P
G
K
I
E
M
S
V
T
H
S
F
-
D
-
D
-
D
N-
K
W
K
I
H
Y
E
A
I
S
--
D
K
D
T
V
F
N
P
T
G
N
V
Y
F
N
L
N
G
D
A
S
E
-
S
V
E
N
H
G
L
R
L
A
A
S
R
F
V
P
L
-
K
D
Q
-
T
E
I
V
R
-
G
-
D
I
V
D
I
K
N
T
D
L
D
F
R
Q
E
K
Q
L
S
N
A
F
------
N
SNM
E
---
Q
VQ
L
V
K
------
G
I
D
---
H
P
F
L
L
D
Q
--
L
G
-----------
L
D
K
E
Q
A
R
L
T
L
D
--
D
T
S
I
S
V
F
T
D
Q
P
S
I
V
I
F
T
A
N
-
F
G
D
L
G
-
T
-
L
-
Y
H
E
K
K
Q
V
H
H
G
G
I
T
F
E
C
Q
---
V
S
P
G
S
E
Q
I
P
E
L
-
G
D
I
S
L
K
A
G
E
K
Y
Q
A
T
T
I
Y
S
L
H
T
-
36
HHSearch
68.82
27%
41
- C3 -
-
1NSU
1
?
B:
[10-338]
-------------
L
G
S
D
L
I
S
L
T
N
K
A
--
G
-
V
T
I
S
F
T
N
L
G
A
R
I
V
D
W
Q
K
D
G
K
-----
H
L
I
L
G
F
-
D
S
A
K
E
Y
L
E
-
K
D
A
Y
P
G
A
T
V
G
P
T
A
G
R
I
K
D
G
----
L
V
----
K
ISGK
D
Y
I
L
N
Q
N
E
G
P
Q
T
L
N
G
G
E
E
S
I
H
--
T
---
K
L
W
T
Y
E
V
T
D
L
G
--
A
E
V
Q
V
K
F
S
LV
S
--
N
---
D
G
T
N
G
Y
P
G
K
I
E
M
S
V
T
H
S
F
-
D
-
D
-
D
N-
K
W
K
I
H
Y
E
A
-
I
-
S
D
K
D
T
V
F
N
P
T
G
H
V
Y
F
N
L
N
G
D
A
S
E
-
S
V
E
N
H
G
L
R
L
A
A
S
R
F
V
P
L
-
K
D
Q
-
T
E
I
V
R
-
G
-
D
I
V
D
I
K
N
T
D
L
D
F
R
Q
E
K
Q
L
S
N
A
F
------
N
SNM
E
---
Q
VQ
L
V
K
------
G
I
D
---
H
P
F
L
L
D
Q
--
L
G
-----------
L
D
K
E
Q
A
R
L
T
L
D
--
D
T
S
I
S
V
F
T
D
Q
P
S
I
V
I
F
T
A
N
-
F
G
D
L
G
-
T
-
L
-
Y
H
E
K
K
Q
V
H
H
G
G
I
T
F
E
C
Q
---
V
S
P
G
S
E
Q
I
P
E
L
-
G
D
I
S
L
K
A
G
E
K
Y
Q
A
T
T
I
Y
S
L
H
T
-
15
PsiBlast_PDB
68.65
28%
38
- C3 -
-
1NSR
-
?
A:
[25-336]
-------------------------------
I
S
F
T
N
L
G
A
R
---
I
V
D
W
Q
K
D
G
K
--
H
L
I
L
G
F
-
D
S
A
K
E
Y
L
E
-
K
D
A
Y
P
G
A
T
V
G
P
T
A
G
R
I
K
D
G
L
V
K
I
S
G
----
K
----
D
Y
I
L
N
Q
N
E
G
P
Q
T
L
H
G
G
E
E
S
I
H
--
T
---
K
L
W
T
Y
E
V
T
D
L
G
--
A
E
V
Q
V
K
F
S
--
L
V
S
N
---
D
G
T
N
G
Y
P
G
K
I
E
M
S
V
T
H
S
F
-
D
-
D
D
N
--
K
W
K
I
H
Y
E
A
-
I
-
S
D
K
D
T
V
F
N
P
T
G
H
V
Y
F
N
L
N
G
D
A
S
E
-
S
V
E
N
H
G
L
R
L
A
A
S
R
F
V
P
L
K
D
-
Q
-
T
E
I
V
R
-
G
-
D
I
V
D
I
K
N
T
D
L
D
F
R
Q
E
K
Q
L
S
N
A
F
------
N
---
S
---
N
--
M
-
E
Q
V
Q
L
V
K
G
I
N
---
H
P
F
L
L
D
Q
--
L
G
-----------
L
D
K
E
Q
A
R
L
T
L
D
D
T
--
S
I
S
V
F
T
D
Q
P
S
I
V
I
F
T
A
N
F
G
D
L
G
T
-
L
-
Y
-
H
E
K
K
Q
V
H
H
G
-
G
I
T
F
E
C
Q
---
V
S
P
G
S
E
Q
I
P
E
L
-
G
D
I
S
L
K
A
G
E
K
Y
Q
A
T
T
I
Y
S
L
---
11
PsiBlast_PDB
68.19
28%
39
- C3 -
-
1MN0
1
?
A:
[25-336]
-------------------------------
I
S
F
T
N
L
G
A
R
---
I
V
D
W
Q
K
D
G
K
--
H
L
I
L
G
F
-
D
S
A
K
E
Y
L
E
-
K
D
A
Y
P
G
A
T
V
G
P
T
A
G
R
I
K
D
G
L
V
K
I
S
G
----
K
----
D
Y
I
L
N
Q
N
E
G
P
Q
T
L
H
G
G
E
E
S
I
H
--
T
---
K
L
W
T
Y
E
V
T
D
L
G
--
A
E
V
Q
V
K
F
S
--
L
V
S
N
---
D
G
T
N
G
Y
P
G
K
I
E
M
S
V
T
H
S
F
-
D
-
D
D
N
--
K
W
K
I
H
Y
E
A
-
I
-
S
D
K
D
T
V
F
N
P
T
G
H
V
Y
F
N
L
N
G
D
A
S
E
-
S
V
E
N
H
G
L
R
L
A
A
S
R
F
V
P
L
K
D
-
Q
-
T
E
I
V
R
-
G
-
D
I
V
D
I
K
N
T
D
L
D
F
R
Q
E
K
Q
L
S
N
A
F
------
N
---
S
---
N
--
M
-
E
Q
V
Q
L
V
K
G
I
D
---
H
P
F
L
L
D
Q
--
L
G
-----------
L
D
K
E
Q
A
R
L
T
L
D
D
T
--
S
I
S
V
F
T
D
Q
P
S
I
V
I
F
T
A
N
F
G
D
L
G
T
-
L
-
Y
-
H
E
K
K
Q
V
H
H
G
-
G
I
T
F
E
C
Q
---
V
S
P
G
S
E
Q
I
P
E
L
-
G
D
I
S
L
K
A
G
E
K
Y
Q
A
T
T
I
Y
S
L
---
21
Fugue
67.91
27%
42
- C- -
-
1L7J
-
?
A:
[2-339]
----
S
I
K
I
R
D
F
G
L
-
G
S
D
L
I
S
L
T
N
-
K
--
A
G
V
T
I
S
F
T
N
L
G
A
R
I
V
D
W
Q
K
D
G
K
-----
H
L
I
L
G
F
-
D
S
A
K
E
Y
L
E
-
K
D
A
Y
P
G
A
T
V
G
P
T
A
G
R
I
K
D
G
----
L
V
----
K
I
SG
K
D
Y
I
L
N
Q
N
E
G
P
Q
T
L
H
G
G
E
E
S
I
H
--
T
---
K
L
W
T
Y
E
V
T
D
L
G
--
A
E
V
Q
V
K
F
S
--
L
--
V
S
N
-
D
G
T
N
G
Y
P
G
K
I
E
M
S
V
T
H
S
F
-
D
D
D
-
N
--
K
W
K
I
H
Y
E
A
-
I
-
S
D
K
D
T
V
F
N
P
T
G
H
V
Y
F
N
L
N
G
D
A
S
E
-
S
V
E
N
H
G
L
R
L
A
A
S
R
F
V
P
L
K
D
-
Q
-
T
E
I
V
R
-
G
-
D
I
V
D
I
K
N
T
D
L
D
F
R
Q
E
K
Q
L
S
N
A
F
N
SNM
E
Q
V
---
Q
---
L
--
V
-
K
------
G
I
D
---
H
P
F
L
L
D
Q
--
L
G
-----------
L
D
K
E
Q
A
R
L
T
L
--
D
D
T
S
I
S
V
F
T
D
Q
P
S
I
V
I
F
T
A
N
-
F
G
D
L
G
-
T
-
L
-
Y
H
E
K
K
Q
V
H
H
G
G
I
T
F
E
C
Q
---
V
S
P
G
S
E
Q
I
P
E
L
-
G
D
I
S
L
K
A
G
E
K
Y
Q
A
T
T
I
Y
S
L
H
T
K
17
PsiBlast_PDB
67.63
28%
39
- C3 -
-
1NS7
1
?
A:
[25-336]
-------------------------------
I
S
F
T
N
L
G
A
R
---
I
V
D
W
Q
K
D
G
K
--
H
L
I
L
G
F
-
D
S
A
K
E
Y
L
E
-
K
D
A
Y
P
G
A
T
V
G
P
T
A
G
R
I
K
D
G
L
V
K
I
S
G
----
K
----
D
Y
I
L
N
Q
N
E
G
P
Q
T
L
H
G
G
E
E
S
I
H
--
T
---
K
L
W
T
Y
E
V
T
D
L
G
--
A
E
V
Q
V
K
F
S
--
L
V
S
N
---
D
G
T
N
G
Y
P
G
K
I
E
M
S
V
T
H
S
F
-
D
-
D
D
N
--
K
W
K
I
H
Y
E
A
-
I
-
S
D
K
D
T
V
F
N
P
T
G
H
V
Y
F
N
L
N
G
D
A
S
E
-
S
V
E
N
H
G
L
R
L
A
A
S
R
F
V
P
L
K
D
-
Q
-
T
E
I
V
R
-
G
-
D
I
V
D
I
K
N
T
D
L
D
F
R
Q
E
K
Q
L
S
N
A
F
------
N
---
S
---
N
--
M
-
E
Q
V
Q
L
V
K
G
I
D
---
H
P
F
L
L
D
Q
--
L
G
-----------
L
D
K
E
Q
A
R
L
T
L
D
D
T
--
S
I
S
V
F
T
D
Q
P
S
I
V
I
F
T
A
N
F
G
D
L
G
T
-
L
-
Y
-
H
E
K
K
Q
V
H
H
G
-
G
I
T
F
A
C
Q
---
V
S
P
G
S
E
Q
I
P
E
L
-
G
D
I
S
L
K
A
G
E
K
Y
Q
A
T
T
I
Y
S
L
---
20
PsiBlast_PDB
67.55
28%
39
- C3 -
-
1NSX
1
?
A:
[25-336]
-------------------------------
I
S
F
T
N
L
G
A
R
---
I
V
D
W
Q
K
D
G
K
--
H
L
I
L
G
F
-
D
S
A
K
E
Y
L
E
-
K
D
A
Y
P
G
A
T
V
G
P
T
A
G
R
I
K
D
G
L
V
K
I
S
G
----
K
----
D
Y
I
L
N
Q
N
E
G
P
Q
T
L
H
G
G
E
E
S
I
H
--
T
---
K
L
W
T
Y
E
V
T
D
L
G
--
A
E
V
Q
V
K
F
S
--
L
V
S
N
---
D
G
T
N
G
Y
P
G
K
I
E
M
S
V
T
H
S
F
D
D
-
D
-
N
--
K
W
K
I
H
Y
E
A
-
I
-
S
D
K
D
T
V
F
N
P
T
G
N
V
Y
F
N
L
N
G
D
A
S
E
-
S
V
E
N
H
G
L
R
L
A
A
S
R
F
V
P
L
K
D
-
Q
-
T
E
I
V
R
-
G
-
D
I
V
D
I
K
N
T
D
L
D
F
R
Q
E
K
Q
L
S
N
A
F
------
N
---
S
---
N
--
M
-
E
Q
V
Q
L
V
K
G
I
D
---
H
P
F
L
L
D
Q
--
L
G
-----------
L
D
K
E
Q
A
R
L
T
L
D
D
T
--
S
I
S
V
F
T
D
Q
P
S
I
V
I
F
T
A
N
F
G
D
L
G
T
-
L
-
Y
-
H
E
K
K
Q
V
H
H
G
-
G
I
T
F
E
C
Q
---
V
S
P
G
S
E
Q
I
P
E
L
-
G
D
I
S
L
K
A
G
E
K
Y
Q
A
T
T
I
Y
S
L
---
9
PsiBlast_PDB
67.52
28%
41
- C3 -
-
1MMY
1
?
A:
[25-336]
-------------------------------
I
S
F
T
N
L
G
A
R
---
I
V
D
W
Q
K
D
G
K
--
H
L
I
L
G
F
-
D
S
A
K
E
Y
L
E
-
K
D
A
Y
P
G
A
T
V
G
P
T
A
G
R
I
K
D
G
L
V
K
I
S
G
----
K
----
D
Y
I
L
N
Q
N
E
G
P
Q
T
L
H
G
G
E
E
S
I
H
--
T
---
K
L
W
T
Y
E
V
T
D
L
G
--
A
E
V
Q
V
K
F
S
--
L
V
S
N
---
D
G
T
N
G
Y
P
G
K
I
E
M
S
V
T
H
S
F
-
D
-
D
D
N
--
K
W
K
I
H
Y
E
A
-
I
-
S
D
K
D
T
V
F
N
P
T
G
H
V
Y
F
N
L
N
G
D
A
S
E
-
S
V
E
N
H
G
L
R
L
A
A
S
R
F
V
P
L
K
D
-
Q
-
T
E
I
V
R
-
G
-
D
I
V
D
I
K
N
T
D
L
D
F
R
Q
E
K
Q
L
S
N
A
F
------
N
---
S
---
N
--
M
-
E
Q
V
Q
L
V
K
G
I
D
---
H
P
F
L
L
D
Q
--
L
G
-----------
L
D
K
E
Q
A
R
L
T
L
D
D
T
--
S
I
S
V
F
T
D
Q
P
S
I
V
I
F
T
A
N
F
G
D
L
G
T
-
L
-
Y
-
H
E
K
K
Q
V
H
H
G
-
G
I
T
F
E
C
Q
---
V
S
P
G
S
E
Q
I
P
E
L
-
G
D
I
S
L
K
A
G
E
K
Y
Q
A
T
T
I
Y
S
L
---
14
PsiBlast_PDB
67.47
28%
40
- C3 -
-
1NS8
1
?
A:
[25-336]
-------------------------------
I
S
F
T
N
L
G
A
R
---
I
V
D
W
Q
K
D
G
K
--
H
L
I
L
G
F
-
D
S
A
K
E
Y
L
E
-
K
D
A
Y
P
G
A
T
V
G
P
T
A
G
R
I
K
D
G
L
V
K
I
S
G
----
K
----
D
Y
I
L
N
Q
N
E
G
P
Q
T
L
H
G
G
E
E
S
I
H
--
T
---
K
L
W
T
Y
E
V
T
D
L
G
--
A
E
V
Q
V
K
F
S
--
L
V
S
N
---
D
G
T
N
G
Y
P
G
K
I
E
M
S
V
T
H
S
F
-
D
-
D
D
N
--
K
W
K
I
H
Y
E
A
-
I
-
S
D
K
D
T
V
F
N
P
T
G
H
V
Y
F
N
L
N
G
D
A
S
E
-
S
V
E
N
H
G
L
R
L
A
A
S
R
F
V
P
L
K
D
-
Q
-
T
E
I
V
R
-
G
-
D
I
V
D
I
K
N
T
D
L
D
F
R
Q
E
K
Q
L
S
N
A
F
------
N
---
S
---
N
--
M
-
E
Q
V
Q
L
V
K
G
I
N
---
H
P
F
L
L
D
Q
--
L
G
-----------
L
D
K
E
Q
A
R
L
T
L
D
D
T
--
S
I
S
V
F
T
D
Q
P
S
I
V
I
F
T
A
N
F
G
D
L
G
T
-
L
-
Y
-
H
E
K
K
Q
V
H
H
G
-
G
I
T
F
E
C
Q
---
V
S
P
G
S
E
Q
I
P
E
L
-
G
D
I
S
L
K
A
G
E
K
Y
Q
A
T
T
I
Y
S
L
---
10
PsiBlast_PDB
67.45
28%
40
- C3 -
-
1MMZ
1
?
A:
[25-336]
-------------------------------
I
S
F
T
N
L
G
A
R
---
I
V
D
W
Q
K
D
G
K
--
H
L
I
L
G
F
-
D
S
A
K
E
Y
L
E
-
K
D
A
Y
P
G
A
T
V
G
P
T
A
G
R
I
K
D
G
L
V
K
I
S
G
----
K
----
D
Y
I
L
N
Q
N
E
G
P
Q
T
L
H
G
G
E
E
S
I
H
--
T
---
K
L
W
T
Y
E
V
T
D
L
G
--
A
E
V
Q
V
K
F
S
--
L
V
S
N
---
D
G
T
N
G
Y
P
G
K
I
E
M
S
V
T
H
S
F
-
D
-
D
D
N
--
K
W
K
I
H
Y
E
A
-
I
-
S
D
K
D
T
V
F
N
P
T
G
H
V
Y
F
N
L
N
G
D
A
S
E
-
S
V
E
N
H
G
L
R
L
A
A
S
R
F
V
P
L
K
D
-
Q
-
T
E
I
V
R
-
G
-
D
I
V
D
I
K
N
T
D
L
D
F
R
Q
E
K
Q
L
S
N
A
F
------
N
---
S
---
N
--
M
-
E
Q
V
Q
L
V
K
G
I
D
---
H
P
F
L
L
D
Q
--
L
G
-----------
L
D
K
E
Q
A
R
L
T
L
D
D
T
--
S
I
S
V
F
T
D
Q
P
S
I
V
I
F
T
A
N
F
G
D
L
G
T
-
L
-
Y
-
H
E
K
K
Q
V
H
H
G
-
G
I
T
F
E
C
Q
---
V
S
P
G
S
E
Q
I
P
E
L
-
G
D
I
S
L
K
A
G
E
K
Y
Q
A
T
T
I
Y
S
L
---