@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 : SA0227: (2016-03-13 )
MKQITWHDLQHIIKDGDVIGLPALAVANLPAEVLRAVLAQHDTYHTPKDLTFILANDIHSLGAAPDLDDFIERRMIKRVIMSILTASSKTAQAMKNNDIEAYFLPQGIIATHYRQSNQLLPGVITKIGLNTAVDPRYGGGKVNTRTTDDLVSLVTINDETYLHYTFPSVDVALLRGTYADQQGNIYLTQEAYLSECYHVALNAKANHGKVIVQVKALVDDYQLKPNEVVIPGNLVDYVYVTEDEKNHRQVIQSHYLPALSGEERIDGIPEPALPFNSRKLILRRAAQFLTYGDTISIGYGINNELSNLLHEECVEHDVQPILDVGIFGGFVGSREHFGMNYNADVRMPHDRAWDFIYNNGVSVAYLSFAEVDQYGNVNVSYFNDRLNGCGGFIDITQSVNKIIFSGTFVAGSHVSCHNQRLNIETEGQNQKFVSDVSHIDFNAQYSQLLEQEVYFVTDRAVFELTNQGLKLIEIAPGLDLHKDILNQMAFKPIIADHLKLIDTSIYKEKWGQLKQSIHKV
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.......520
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-MKQI
T
W
H
D
L
Q
H
I
IKDGDVIG
L
P
A
L
A
V
-ANL
P
A
E
V
L
R
A
V
L
A
-QHDTYHTPK
D
L
T
F
I
L
A
N
-
D
I
H
SLGAAP
D
--
L
D
D
F
I
E
R
R
M
I
K
R
V
I
M
S
I
LTASS
K
T
A
Q
A
M
KNND
I
E
A
Y
FLPQ
G
I
I
A
T
H
YRQSNQL
L
P
G
V
I
T
KIGLNTAVDPRYGGGKVNTRTT----D
D
L
V
S
----
L
V
T
-------IND
E
T
Y
L
H
-
Y
-TFPS
V
D
V
A
L
L
RGTYADQQG
N
I
Y
L
T
Q
E
A
Y
L
S
E
C
Y
H
V
A
LNAKANH
G
K
V
I
V
Q
V
K
A
LV----------------------DDYQ----LKPN
E
V
V
IPGN
L
V
D
Y
V
Y
VTEDEK
N
H
R
Q
-
V
-
I
Q
S
HY---LPALSGEERIDGIP---EPALPF
N
S
-
R
K
L
I
L
R
R
A
A
Q
F
LT----YG------
D
T
I
S
I
GYG-I
N
N
E
L
S
N
L
L
H
E
E
-----
C
V
E
H--D
V
Q
P
I
L
D
V
-----------
G
I
F-------GGFVGS------------
R
E
HFGMN-YNADV---------RMP------HDR
A
----
W
-----------
D
F
I
YNNGV
S
V
A
Y
L
S
F
A
E
V
DQYGN
V
-
N
V
S
Y
F
-
N
D-R-L-NGCGG
F
I
D
I
T
Q
S
V
N
-
K
I
I
F-S
G
T
F
V
AG
S
-
H
V
S
CHN
Q
R
L
N
I
E
TEGQN
Q
K
F
V
S
D
VSHIDF
N
A
Q
Y
S
Q
L
L
E
Q
E
V
Y
F
VT
D
R
A
V
F
E
L
-
T
-N----Q-G-
L
K
L
I
E
--IAPGL---
D
L
H
K
D
I
L
N
Q
MAF
K
P
I
I
A
D
H
L
K
L
I
D
T
S
I
Y
K
E
K
W
G
Q
L
K
Q
S
I
HKV
22
PsiBlast_CBE
98.11
35%
-100
- C4 -
2AHV
1
YDIF_ECO57
D:
[41-517]
------------------------------
L
E
A
T
T
L
I
T
A
L
A
D
K
Y
K
Q
T
Q
T
P
R
N
L
S
I
I
S
P
T
----
G
L
G
D
R
A
D
RG
I
S
P
L
A
Q
E
G
L
V
K
W
A
L
C
G
H
W
G
Q
S
P
R
I
S
D
L
A
E
Q
N
K
I
I
A
Y
N
Y
P
Q
G
V
L
T
Q
T
L
R
A
A
A
A
H
Q
P
G
I
I
S
D
I
G
I
G
T
F
V
D
P
R
Q
Q
G
G
K
L
N
E
V
T
K
----
E
D
L
I
K
----
L
V
E
-------
F
D
N
K
E
Y
L
Y
-
Y
-
K
A
I
A
P
D
I
A
F
I
R
A
T
T
C
D
S
E
G
Y
A
T
F
E
D
E
V
M
Y
L
D
A
L
V
I
A
Q
A
V
H
N
N
G
G
I
V
M
M
Q
V
Q
K
M
V
----------------------
K
K
A
T
----
L
H
P
K
S
V
R
I
P
G
Y
L
V
D
I
V
V
V
D
P
D
Q
S
Q
L
Y
G
-
G
-
A
P
V
N
R
---
F
--
I
S
G
D
F
T
L
D
----------
P
L
N
Q
-
R
K
L
V
A
R
R
A
L
F
E
M
R
----
K
G
------
A
V
G
N
V
G
V
G
-
I
A
D
G
I
G
L
V
A
R
E
E
-----
G
C
A
D
--
D
F
I
L
T
V
E
T
-----------
G
P
I
-------
G
G
I
T
-------------------
A
N
-
V
N
T
R
A
---------
I
L
D
------
M
T
S
Q
----
F
-----------
D
F
Y
H
G
G
G
L
D
V
C
Y
L
S
F
A
E
V
D
Q
H
G
N
V
-
G
V
H
K
F
-
N
G
-
K
-
I
-
M
G
T
G
G
F
I
D
I
S
A
T
S
K
-
K
I
I
F
-
C
G
T
L
T
A
G
S
L
K
T
E
I
A
D
G
K
L
N
I
V
Q
E
G
R
V
K
K
F
I
R
E
L
P
E
I
T
F
S
G
K
I
A
L
E
R
G
L
D
V
R
Y
I
T
E
R
A
V
F
T
L
-
K
-
E
----
D
-
G
-
L
H
L
I
E
--
I
A
P
G
V
---
D
L
Q
K
D
I
L
D
K
M
D
F
T
P
V
I
S
P
E
L
K
L
M
D
E
R
L
F
--------------
24
PsiBlast_CBE
98.03
35%
-100
- C4 -
2AHV
1
YDIF_ECO57
B:
[41-517]
------------------------------
L
E
A
T
T
L
I
T
A
L
A
D
K
Y
K
Q
T
Q
T
P
R
N
L
S
I
I
S
P
T
----
G
L
G
D
R
A
D
RG
I
S
P
L
A
Q
E
G
L
V
K
W
A
L
C
G
H
W
G
Q
S
P
R
I
S
D
L
A
E
Q
N
K
I
I
A
Y
N
Y
P
Q
G
V
L
T
Q
T
L
R
A
A
A
A
H
Q
P
G
I
I
S
D
I
G
I
G
T
F
V
D
P
R
Q
Q
G
G
K
L
N
E
V
T
K
----
E
D
L
I
K
----
L
V
E
-------
F
D
N
K
E
Y
L
Y
-
Y
-
K
A
I
A
P
D
I
A
F
I
R
A
T
T
C
D
S
E
G
Y
A
T
F
E
D
E
V
M
Y
L
D
A
L
V
I
A
Q
A
V
H
N
N
G
G
I
V
M
M
Q
V
Q
K
M
V
----------------------
K
K
A
T
----
L
H
P
K
S
V
R
I
P
G
Y
L
V
D
I
V
V
V
D
P
D
Q
S
Q
L
Y
G
-
G
-
A
P
V
N
R
---
F
--
I
S
G
D
F
T
L
D
----------
P
L
N
Q
-
R
K
L
V
A
R
R
A
L
F
E
M
R
----
K
G
------
A
V
G
N
V
G
V
G
-
I
A
D
G
I
G
L
V
A
R
E
E
-----
G
C
A
D
--
D
F
I
L
T
V
E
T
-----------
G
P
I
-------
G
G
I
T
-------------------
A
N
-
V
N
T
R
A
---------
I
L
D
------
M
T
S
Q
----
F
-----------
D
F
Y
H
G
G
G
L
D
V
C
Y
L
S
F
A
E
V
D
Q
H
G
N
V
-
G
V
H
K
F
-
N
G
-
K
-
I
-
M
G
T
G
G
F
I
D
I
S
A
T
S
K
-
K
I
I
F
-
C
G
T
L
T
A
G
S
L
K
T
E
I
A
D
G
K
L
N
I
V
Q
E
G
R
V
K
K
F
I
R
E
L
P
E
I
T
F
S
G
K
I
A
L
E
R
G
L
D
V
R
Y
I
T
E
R
A
V
F
T
L
-
K
-
E
----
D
-
G
-
L
H
L
I
E
--
I
A
P
G
V
---
D
L
Q
K
D
I
L
D
K
M
D
F
T
P
V
I
S
P
E
L
K
L
M
D
E
R
L
F
--------------
20
PsiBlast_CBE
97.67
35%
-100
- C4 -
2AHW
1
YDIF_ECO57
C:
[41-517]
------------------------------
L
E
A
T
T
L
I
T
A
L
A
D
K
Y
K
Q
T
Q
T
P
R
N
L
S
I
I
S
P
T
----
G
L
G
D
R
A
D
RG
I
S
P
L
A
Q
E
G
L
V
K
W
A
L
C
G
H
W
G
Q
S
P
R
I
S
D
L
A
E
Q
N
K
I
I
A
Y
N
Y
P
Q
G
V
L
T
Q
T
L
R
A
A
A
A
H
Q
P
G
I
I
S
D
I
G
I
G
T
F
V
D
P
R
Q
Q
G
G
K
L
N
E
V
T
K
----
E
D
L
I
K
----
L
V
E
-------
F
D
N
K
E
Y
L
Y
-
Y
-
K
A
I
A
P
D
I
A
F
I
R
A
T
T
C
D
S
E
G
Y
A
T
F
E
D
E
V
M
Y
L
D
A
L
V
I
A
Q
A
V
H
N
N
G
G
I
V
M
M
Q
V
Q
K
M
V
----------------------
K
K
A
T
----
L
H
P
K
S
V
R
I
P
G
Y
L
V
D
I
V
V
V
D
P
D
Q
S
Q
L
Y
G
-
G
-
A
P
V
N
R
---
F
--
I
S
G
D
F
T
L
D
----------
P
L
N
Q
-
R
K
L
V
A
R
R
A
L
F
E
M
R
----
K
G
------
A
V
G
N
V
G
V
G
-
I
A
D
G
I
G
L
V
A
R
E
E
-----
G
C
A
D
--
D
F
I
L
T
V
E
T
-----------
G
P
I
-------
G
G
I
T
-------------------
A
N
-
V
N
T
R
A
---------
I
L
D
------
M
T
S
Q
----
F
-----------
D
F
Y
H
G
G
G
L
D
V
C
Y
L
S
F
A
E
V
D
Q
H
G
N
V
-
G
V
H
K
F
-
N
G
-
K
-
I
-
M
G
T
G
G
F
I
D
I
S
A
T
S
K
-
K
I
I
F
-
C
G
T
L
T
A
G
S
L
K
T
E
I
A
D
G
K
L
N
I
V
Q
E
G
R
V
K
K
F
I
R
E
L
P
E
I
T
F
S
G
K
I
A
L
E
R
G
L
D
V
R
Y
I
T
E
R
A
V
F
T
L
-
K
-
E
----
D
-
G
-
L
H
L
I
E
--
I
A
P
G
V
---
D
L
Q
K
D
I
L
D
K
M
D
F
T
P
V
I
S
P
E
L
K
L
M
D
E
R
L
F
--------------
1
PsiBlast_PDB
97.64
35%
-101
- C4 -
2AHV
1
YDIF_ECO57
A:
[41-517]
------------------------------
L
E
A
T
T
L
I
T
A
L
A
D
K
Y
K
Q
T
Q
T
P
R
N
L
S
I
I
S
P
T
----
G
L
G
D
R
A
D
RG
I
S
P
L
A
Q
E
G
L
V
K
W
A
L
C
G
H
W
G
Q
S
P
R
I
S
D
L
A
E
Q
N
K
I
I
A
Y
N
Y
P
Q
G
V
L
T
Q
T
L
R
A
A
A
A
H
Q
P
G
I
I
S
D
I
G
I
G
T
F
V
D
P
R
Q
Q
G
G
K
L
N
E
V
T
K
----
E
D
L
I
K
----
L
V
E
-------
F
D
N
K
E
Y
L
Y
-
Y
-
K
A
I
A
P
D
I
A
F
I
R
A
T
T
C
D
S
E
G
Y
A
T
F
E
D
E
V
M
Y
L
D
A
L
V
I
A
Q
A
V
H
N
N
G
G
I
V
M
M
Q
V
Q
K
M
V
----------------------
K
K
A
T
----
L
H
P
K
S
V
R
I
P
G
Y
L
V
D
I
V
V
V
D
P
D
Q
S
Q
L
Y
G
-
G
-
A
P
V
N
R
---
F
--
I
S
G
D
F
T
L
D
----------
P
L
N
Q
-
R
K
L
V
A
R
R
A
L
F
E
M
R
----
K
G
------
A
V
G
N
V
G
V
G
-
I
A
D
G
I
G
L
V
A
R
E
E
-----
G
C
A
D
--
D
F
I
L
T
V
E
T
-----------
G
P
I
-------
G
G
I
T
-------------------
A
N
-
V
N
T
R
A
---------
I
L
D
------
M
T
S
Q
----
F
-----------
D
F
Y
H
G
G
G
L
D
V
C
Y
L
S
F
A
E
V
D
Q
H
G
N
V
-
G
V
H
K
F
-
N
G
-
K
-
I
-
M
G
T
G
G
F
I
D
I
S
A
T
S
K
-
K
I
I
F
-
C
G
T
L
T
A
G
S
L
K
T
E
I
A
D
G
K
L
N
I
V
Q
E
G
R
V
K
K
F
I
R
E
L
P
E
I
T
F
S
G
K
I
A
L
E
R
G
L
D
V
R
Y
I
T
E
R
A
V
F
T
L
-
K
-
E
----
D
-
G
-
L
H
L
I
E
--
I
A
P
G
V
---
D
L
Q
K
D
I
L
D
K
M
D
F
T
P
V
I
S
P
E
L
K
L
M
D
E
R
L
F
--------------
21
PsiBlast_CBE
97.43
35%
-99
- C4 -
2AHW
1
YDIF_ECO57
B:
[41-517]
------------------------------
L
E
A
T
T
L
I
T
A
L
A
D
K
Y
K
Q
T
Q
T
P
R
N
L
S
I
I
S
P
T
----
G
L
G
D
R
A
D
RG
I
S
P
L
A
Q
E
G
L
V
K
W
A
L
C
G
H
W
G
Q
S
P
R
I
S
D
L
A
E
Q
N
K
I
I
A
Y
N
Y
P
Q
G
V
L
T
Q
T
L
R
A
A
A
A
H
Q
P
G
I
I
S
D
I
G
I
G
T
F
V
D
P
R
Q
Q
G
G
K
L
N
E
V
T
K
----
E
D
L
I
K
----
L
V
E
-------
F
D
N
K
E
Y
L
Y
-
Y
-
K
A
I
A
P
D
I
A
F
I
R
A
T
T
C
D
S
E
G
Y
A
T
F
E
D
E
V
M
Y
L
D
A
L
V
I
A
Q
A
V
H
N
N
G
G
I
V
M
M
Q
V
Q
K
M
V
----------------------
K
K
A
T
----
L
H
P
K
S
V
R
I
P
G
Y
L
V
D
I
V
V
V
D
P
D
Q
S
Q
L
Y
G
-
G
-
A
P
V
N
R
---
F
--
I
S
G
D
F
T
L
D
----------
P
L
N
Q
-
R
K
L
V
A
R
R
A
L
F
E
M
R
----
K
G
------
A
V
G
N
V
G
V
G
-
I
A
D
G
I
G
L
V
A
R
E
E
-----
G
C
A
D
--
D
F
I
L
T
V
E
T
-----------
G
P
I
-------
G
G
I
T
-------------------
A
N
-
V
N
T
R
A
---------
I
L
D
------
M
T
S
Q
----
F
-----------
D
F
Y
H
G
G
G
L
D
V
C
Y
L
S
F
A
E
V
D
Q
H
G
N
V
-
G
V
H
K
F
-
N
G
-
K
-
I
-
M
G
T
G
G
F
I
D
I
S
A
T
S
K
-
K
I
I
F
-
C
G
T
L
T
A
G
S
L
K
T
E
I
A
D
G
K
L
N
I
V
Q
E
G
R
V
K
K
F
I
R
E
L
P
E
I
T
F
S
G
K
I
A
L
E
R
G
L
D
V
R
Y
I
T
E
R
A
V
F
T
L
-
K
-
E
----
D
-
G
-
L
H
L
I
E
--
I
A
P
G
V
---
D
L
Q
K
D
I
L
D
K
M
D
F
T
P
V
I
S
P
E
L
K
L
M
D
E
R
L
F
--------------
2
PsiBlast_PDB
97.34
35%
-99
- C4 -
2AHW
1
YDIF_ECO57
A:
[41-517]
------------------------------
L
E
A
T
T
L
I
T
A
L
A
D
K
Y
K
Q
T
Q
T
P
R
N
L
S
I
I
S
P
T
----
G
L
G
D
R
A
D
RG
I
S
P
L
A
Q
E
G
L
V
K
W
A
L
C
G
H
W
G
Q
S
P
R
I
S
D
L
A
E
Q
N
K
I
I
A
Y
N
Y
P
Q
G
V
L
T
Q
T
L
R
A
A
A
A
H
Q
P
G
I
I
S
D
I
G
I
G
T
F
V
D
P
R
Q
Q
G
G
K
L
N
E
V
T
K
----
E
D
L
I
K
----
L
V
E
-------
F
D
N
K
E
Y
L
Y
-
Y
-
K
A
I
A
P
D
I
A
F
I
R
A
T
T
C
D
S
E
G
Y
A
T
F
E
D
E
V
M
Y
L
D
A
L
V
I
A
Q
A
V
H
N
N
G
G
I
V
M
M
Q
V
Q
K
M
V
----------------------
K
K
A
T
----
L
H
P
K
S
V
R
I
P
G
Y
L
V
D
I
V
V
V
D
P
D
Q
S
Q
L
Y
G
-
G
-
A
P
V
N
R
---
F
--
I
S
G
D
F
T
L
D
----------
P
L
N
Q
-
R
K
L
V
A
R
R
A
L
F
E
M
R
----
K
G
------
A
V
G
N
V
G
V
G
-
I
A
D
G
I
G
L
V
A
R
E
E
-----
G
C
A
D
--
D
F
I
L
T
V
E
T
-----------
G
P
I
-------
G
G
I
T
-------------------
A
N
-
V
N
T
R
A
---------
I
L
D
------
M
T
S
Q
----
F
-----------
D
F
Y
H
G
G
G
L
D
V
C
Y
L
S
F
A
E
V
D
Q
H
G
N
V
-
G
V
H
K
F
-
N
G
-
K
-
I
-
M
G
T
G
G
F
I
D
I
S
A
T
S
K
-
K
I
I
F
-
C
G
T
L
T
A
G
S
L
K
T
E
I
A
D
G
K
L
N
I
V
Q
E
G
R
V
K
K
F
I
R
E
L
P
E
I
T
F
S
G
K
I
A
L
E
R
G
L
D
V
R
Y
I
T
E
R
A
V
F
T
L
-
K
-
E
----
D
-
G
-
L
H
L
I
E
--
I
A
P
G
V
---
D
L
Q
K
D
I
L
D
K
M
D
F
T
P
V
I
S
P
E
L
K
L
M
D
E
R
L
F
--------------
23
PsiBlast_CBE
97.24
35%
-100
- C4 -
2AHV
1
YDIF_ECO57
C:
[41-517]
------------------------------
L
E
A
T
T
L
I
T
A
L
A
D
K
Y
K
Q
T
Q
T
P
R
N
L
S
I
I
S
P
T
----
G
L
G
D
R
A
D
RG
I
S
P
L
A
Q
E
G
L
V
K
W
A
L
C
G
H
W
G
Q
S
P
R
I
S
D
L
A
E
Q
N
K
I
I
A
Y
N
Y
P
Q
G
V
L
T
Q
T
L
R
A
A
A
A
H
Q
P
G
I
I
S
D
I
G
I
G
T
F
V
D
P
R
Q
Q
G
G
K
L
N
E
V
T
K
----
E
D
L
I
K
----
L
V
E
-------
F
D
N
K
E
Y
L
Y
-
Y
-
K
A
I
A
P
D
I
A
F
I
R
A
T
T
C
D
S
E
G
Y
A
T
F
E
D
E
V
M
Y
L
D
A
L
V
I
A
Q
A
V
H
N
N
G
G
I
V
M
M
Q
V
Q
K
M
V
----------------------
K
K
A
T
----
L
H
P
K
S
V
R
I
P
G
Y
L
V
D
I
V
V
V
D
P
D
Q
S
Q
L
Y
G
-
G
-
A
P
V
N
R
---
F
--
I
S
G
D
F
T
L
D
----------
P
L
N
Q
-
R
K
L
V
A
R
R
A
L
F
E
M
R
----
K
G
------
A
V
G
N
V
G
V
G
-
I
A
D
G
I
G
L
V
A
R
E
E
-----
G
C
A
D
--
D
F
I
L
T
V
E
T
-----------
G
P
I
-------
G
G
I
T
-------------------
A
N
-
V
N
T
R
A
---------
I
L
D
------
M
T
S
Q
----
F
-----------
D
F
Y
H
G
G
G
L
D
V
C
Y
L
S
F
A
E
V
D
Q
H
G
N
V
-
G
V
H
K
F
-
N
G
-
K
-
I
-
M
G
T
G
G
F
I
D
I
S
A
T
S
K
-
K
I
I
F
-
C
G
T
L
T
A
G
S
L
K
T
E
I
A
D
G
K
L
N
I
V
Q
E
G
R
V
K
K
F
I
R
E
L
P
E
I
T
F
S
G
K
I
A
L
E
R
G
L
D
V
R
Y
I
T
E
R
A
V
F
T
L
-
K
-
E
----
D
-
G
-
L
H
L
I
E
--
I
A
P
G
V
---
D
L
Q
K
D
I
L
D
K
M
D
F
T
P
V
I
S
P
E
L
K
L
M
D
E
R
L
F
--------------
26
HHSearch
79.41
21%
-82
- C4 -
3K6M
1
SCOT1_PIG
A:
[2-480]
-
K
F
Y
T
D
A
V
E
A
V
K
D
I
P
N
G
A
T
V
L
V
G
G
F
G
L
-
C
G
I
P
E
N
L
I
G
A
L
L
K
-
T
-----
G
V
K
E
L
T
A
V
S
N
N
-
A
G
V
D
N
---
F
G
--
L
G
L
L
L
Q
S
K
Q
I
K
R
M
I
S
S
Y
V
G
E
N
A
E
F
E
R
Q
Y
L
A
G
E
L
E
V
E
L
T
P
Q
G
T
L
A
E
R
I
R
A
G
G
A
G
V
P
A
F
Y
T
S
T
G
Y
G
T
L
V
Q
E
G
G
S
P
I
K
Y
N
K
D
G
S
IA
I
A
S
K
P
R
E
----
V
R
E
-------
F
N
G
Q
H
F
I
L
-
E
-
E
A
I
R
G
D
F
A
L
V
K
A
W
K
A
D
Q
A
G
N
V
T
F
R
K
S
A
R
-
N
F
N
L
P
M
C
K
A
A
E
----
T
T
V
V
E
V
E
E
I
V
----------------------
D
I
G
S
----
F
A
P
E
D
I
H
I
P
K
I
Y
V
H
R
L
V
K
G
E
K
Y
-
E
K
R
I
-
E
R
L
S
V
R
----------------------------
V
-
R
E
R
I
I
K
R
A
A
L
E
F
E
----
D
G
------
M
Y
A
N
L
G
I
G
-
I
P
L
L
A
S
N
F
I
S
P
N
--------
M
--
T
V
H
L
Q
S
E
N
-----------
G
I
L
-------
G
L
G
P
Y
P
LQNEVDADLINA
G
K
E
T
V
T
V
-
L
P
G
A
S
---------
Y
F
S
------
S
D
E
S
----
F
-----------
A
M
I
R
G
G
H
V
N
L
T
M
L
G
A
M
Q
V
S
K
Y
G
D
L
-
A
N
W
M
I
-
P
G
-
K
L
V
-
K
G
M
G
G
A
M
D
L
V
S
S
A
K
-
T
K
V
V
V
T
M
E
H
S
A
K
----------------
G
N
A
H
K
I
M
E
K
C
T
L
P
L
T
G
------
K
Q
C
V
N
R
I
I
T
E
K
A
V
F
D
V
-
D
-
R
----
K
K
G
-
L
T
L
I
E
--
L
W
E
G
L
---
T
V
D
-
D
I
K
K
S
T
G
C
D
F
A
V
S
P
K
L
I
P
M
Q
Q
V
T
---------------
4
PsiBlast_PDB
77.22
21%
-85
- C4 -
3DLX
1
SCOT1_HUMAN
A:
[15-472]
-------------
I
P
D
G
A
T
V
L
V
G
G
F
G
L
-
C
G
I
P
E
N
L
I
D
A
L
L
K
-
T
G
-----
V
K
G
L
T
A
V
S
N
N
A
G
V
D
N
F
G
------
L
G
L
L
L
R
S
K
Q
I
K
R
M
V
S
S
Y
V
G
E
N
A
E
F
E
R
Q
Y
L
S
G
E
L
E
V
E
L
T
P
Q
G
T
L
A
E
R
I
R
A
G
G
A
G
V
P
A
F
Y
T
P
T
G
Y
G
T
L
V
Q
E
---
G
G
S
P
I
K
Y
N
K
----
D
G
S
V
A
----
I
A
S
K
P
R
E
V
R
E
F
N
G
Q
H
F
I
L
-
E
-
E
A
I
T
G
D
F
A
L
V
K
A
W
K
A
D
R
A
G
N
V
I
F
R
K
S
A
---
R
N
F
N
L
P
M
C
K
A
A
E
--
T
T
V
V
E
V
E
E
I
V
----------------------
D
I
G
A
----
F
A
P
E
D
I
H
I
P
-----
Q
I
Y
V
------
H
R
L
-
I
-
K
G
E
K
Y
EKR
I
E
R
L
S
I
R
-------------
K
P
G
D
D
V
R
E
R
I
I
K
R
A
A
L
E
F
E
----
D
G
------
M
Y
A
N
L
G
I
G
-
I
P
L
L
A
S
N
F
I
S
P
N
-----
I
T
V
H
---
L
Q
S
--
E
N
-----------
G
V
L
-------
G
L
G
P
Y
P
------------
R
Q
H
---
E
-
A
D
A
D
L
INAGK
E
T
V
T
I
L
P
G
A
S
F
F
S
S
D
E
S
----
F
-----------
A
M
I
R
G
G
H
V
D
L
T
M
L
G
A
M
Q
V
S
K
Y
G
D
L
A
N
W
M
I
P
-
G
K
-
M
-
V
-
K
G
M
G
G
A
M
D
L
V
S
S
A
K
T
K
V
V
V
-
T
M
E
H
S
A
K
G
-
N
A
H
K
I
M
E
K
C
T
L
P
L
T
G
K
Q
C
-----
V
N
R
I
----------------
I
T
E
K
A
V
F
D
V
D
K
-
K
----
K
-
G
-
L
T
L
I
E
--
L
W
E
G
L
T
V
D
D
V
Q
K
S
T
G
C
D
F
A
V
S
P
----------------------------
6
PsiBlast_PDB
76.71
21%
-80
- C4 -
2NRC
-
SCOT1_PIG
A:
[14-471]
-------------
I
P
N
G
A
T
V
L
V
G
G
F
G
L
-
A
G
I
P
E
N
L
I
G
A
L
L
K
-
T
G
-----
V
K
E
L
T
A
V
S
N
N
A
G
V
D
N
F
G
------
L
G
L
L
L
Q
S
K
Q
I
K
R
M
I
S
S
Y
V
G
E
N
A
E
F
E
R
Q
Y
L
A
G
E
L
E
V
E
L
T
P
Q
G
T
L
A
E
R
I
R
A
G
G
A
G
V
P
A
F
Y
T
S
T
G
Y
G
T
L
V
Q
E
---
G
G
S
P
I
K
Y
N
K
----
D
G
S
I
A
----
I
A
S
K
P
R
E
V
R
E
F
N
G
Q
H
F
I
L
-
E
-
E
A
I
R
G
D
F
A
L
V
K
A
W
K
A
D
Q
A
G
N
V
T
F
R
K
S
A
---
R
N
F
N
L
P
M
C
K
A
A
E
--
T
T
V
V
E
V
E
E
I
V
----------------------
D
I
G
S
----
F
A
P
E
D
I
H
I
P
-----
K
I
Y
V
------
H
R
L
-
V
-
K
G
E
K
Y
---------
E
K
R
I
E
R
L
S
V
R
K------
N
V
-
R
E
R
I
I
K
R
A
A
L
E
F
E
----
D
G
------
M
Y
A
N
L
G
I
G
-
I
P
L
L
A
S
N
F
I
S
P
N
-----
M
T
V
H
L
Q
S
E
N
G
I
L
G
L
-----------
G
P
Y
PLQNEVD
A
D
L
I
N
A
------------
G
K
E
T
V
T
V
-
L
P
G
A
S
---------
Y
F
S
------
S
D
E
S
----
F
-----------
A
M
I
R
G
G
H
V
N
L
T
M
L
G
A
M
Q
V
S
K
Y
G
D
L
-
A
N
W
M
I
-
P
G
-
K
-
L
V
K
G
M
G
G
A
M
D
L
V
S
S
A
K
T
K
V
V
V
-
T
M
E
H
S
A
K
G
-
N
A
H
K
I
M
E
K
C
T
L
P
L
T
G
K
Q
C
-----
V
N
R
I
----------------
I
T
E
K
A
V
F
D
V
D
R
-
K
----
K
-
G
-
L
T
L
I
E
--
L
W
E
G
L
T
V
D
D
I
K
K
S
T
G
C
D
F
A
V
S
P
----------------------------
5
PsiBlast_PDB
76.46
21%
-81
- C4 -
1OPE
3
SCOT1_PIG
A:
[14-465]
-------------
I
P
N
G
A
T
V
L
V
G
G
F
G
L
-
C
G
I
P
E
N
L
I
G
A
L
L
K
-
T
G
-----
V
K
E
L
T
A
V
S
N
N
A
G
V
D
N
F
G
------
L
G
L
L
L
Q
S
K
Q
I
K
R
M
I
S
S
Y
V
G
E
N
A
E
F
E
R
Q
Y
L
A
G
E
L
E
V
E
L
T
P
Q
G
T
L
A
E
R
I
R
A
G
G
A
G
V
P
A
F
Y
T
S
T
G
Y
G
T
L
V
Q
E
---
G
G
S
P
I
K
Y
---------
I
A
----
I
A
S
K
P
R
E
V
R
E
F
N
G
Q
H
F
I
L
-
E
-
E
A
I
R
G
D
F
A
L
V
K
A
W
K
A
D
Q
A
G
N
V
T
F
R
K
S
A
---
R
N
F
N
L
P
M
C
K
A
A
E
--
T
T
V
V
E
V
E
E
I
V
----------------------
D
I
G
S
----
F
A
P
E
D
I
H
I
P
-----
K
I
Y
V
------
H
R
L
-
V
-
K
G
E
K
Y
---------
E
K
R
I
E
R
L
S
V
R--------
V
-
R
E
R
I
I
K
R
A
A
L
E
F
E
----
D
G
------
M
Y
A
N
L
G
I
G
-
I
P
L
L
A
S
N
F
I
S
P
N
-----
M
T
V
H
L
Q
S
E
N
G
I
L
G
L
-----------
G
P
Y
PLQNEVD
A
D
L
I
N
A
------------
G
K
E
T
V
T
V
-
L
P
G
A
S
---------
Y
F
S
------
S
D
E
S
----
F
-----------
A
M
I
R
G
G
H
V
N
L
T
M
L
G
A
M
Q
V
S
K
Y
G
D
L
-
A
N
W
M
I
-------V
K
G
M
G
G
A
M
D
L
V
S
S
A
K
T
K
V
V
V
-
T
M
E
H
S
-----
A
H
K
I
M
E
K
C
T
L
P
L
T
G
K
Q
C
-----
V
N
R
I
----------------
I
T
E
K
A
V
F
D
V
D
R
-
K
----
K
-
G
-
L
T
L
I
E
--
L
W
E
G
L
T
V
D
D
I
K
K
S
T
G
C
D
F
A
V
S
P
----------------------------
10
PsiBlast_PDB
76.25
20%
-79
- C4 -
3K6M
1
SCOT1_PIG
A:
[14-471]
-------------
I
P
N
G
A
T
V
L
V
G
G
F
G
L
-
C
G
I
P
E
N
L
I
G
A
L
L
K
-
T
G
-----
V
K
E
L
T
A
V
S
N
N
A
G
V
D
N
F
G
------
L
G
L
L
L
Q
S
K
Q
I
K
R
M
I
S
S
Y
V
G
E
N
A
E
F
E
R
Q
Y
L
A
G
E
L
E
V
E
L
T
P
Q
G
T
L
A
E
R
I
R
A
G
G
A
G
V
P
A
F
Y
T
S
T
G
Y
G
T
L
V
Q
E
---
G
G
S
P
I
K
Y
N
K
----
D
G
S
I
A
----
I
A
S
K
P
R
E
V
R
E
F
N
G
Q
H
F
I
L
-
E
-
E
A
I
R
G
D
F
A
L
V
K
A
W
K
A
D
Q
A
G
N
V
T
F
R
K
S
A
---
R
N
F
N
L
P
M
C
K
A
A
E
--
T
T
V
V
E
V
E
E
I
V
----------------------
D
I
G
S
----
F
A
P
E
D
I
H
I
P
-----
K
I
Y
V
------
H
R
L
-
V
-
K
G
E
K
Y
---------
E
K
R
I
E
R
L
S
V
R--------
V
-
R
E
R
I
I
K
R
A
A
L
E
F
E
----
D
G
------
M
Y
A
N
L
G
I
G
-
I
P
L
L
A
S
N
F
I
S
P
N
-----
M
T
V
H
L
Q
S
E
N
G
I
L
G
L
-----------
G
P
Y
PLQNEVD
A
D
L
I
N
A
------------
G
K
E
T
V
T
V
-
L
P
G
A
S
---------
Y
F
S
------
S
D
E
S
----
F
-----------
A
M
I
R
G
G
H
V
N
L
T
M
L
G
A
M
Q
V
S
K
Y
G
D
L
-
A
N
W
M
I
-
P
G
-
K
-
L
V
K
G
M
G
G
A
M
D
L
V
S
S
A
K
T
K
V
V
V
-
T
M
E
H
S
A
K
G
-
N
A
H
K
I
M
E
K
C
T
L
P
L
T
G
K
Q
C
-----
V
N
R
I
----------------
I
T
E
K
A
V
F
D
V
D
R
-
K
----
K
-
G
-
L
T
L
I
E
--
L
W
E
G
L
T
V
D
D
I
K
K
S
T
G
C
D
F
A
V
S
P
----------------------------
48
Fugue
76.20
20%
-80
- C4 -
1O9L
2
SCOT1_PIG
A:
[1-481]
T
K
F
Y
T
D
A
V
E
A
V
K
D
I
P
N
G
A
T
V
L
V
G
G
F
G
L
-
C
G
I
P
E
N
L
I
G
A
L
L
K
-
T
G
-----
V
K
E
L
T
A
V
S
N
N
----
A
G
V
D
N
F
G
--
L
G
L
L
L
Q
S
K
Q
I
K
R
M
I
S
S
Y
V
G
E
N
A
E
F
E
R
Q
Y
L
A
G
E
L
E
V
E
L
T
P
Q
G
T
L
A
E
R
I
R
A
G
G
A
G
V
P
A
F
Y
T
S
T
G
Y
G
T
L
V
Q
E
G
G
S
P
I
K
Y
N
K
D
G
S
----
I
A
I
A
S
K
P
R
E
V
R
E
-------
F
N
G
Q
H
F
I
L
-
E
-
E
A
I
R
G
D
F
A
L
V
K
A
W
K
A
D
Q
A
G
N
V
T
F
R
K
S
A
R
-----
N
F
N
L
P
M
C
K
A
A
E
T
T
V
V
E
V
E
E
I
V
----------------------
D
I
G
S
----
F
A
P
E
D
I
H
I
P
K
I
Y
V
H
R
L
V
K
G
E
K
Y
E
K
R
I
-------------------------
E
---
R
L
S
V
R
K
N
V
-
R
E
R
I
I
K
R
A
A
L
E
F
E
----
D
G
------
M
Y
A
N
L
G
I
G
-
I
P
L
L
A
S
N
F
I
S
P
N
M
T
V
H
L
Q
S
E
N
--
G
I
L
G
L
G
P
Y
PLQN-------
E
V
D
-------
A
D
L
I
N
A
------------
G
K
E
T
V
T
V
-
L
P
G
A
S
---------
Y
F
S
------
S
D
E
S
----
F
-----------
A
M
I
R
G
G
H
V
N
L
T
M
L
G
A
M
Q
V
S
K
Y
G
D
L
-
A
N
W
M
I
P
G
K
-
L
-
V
-
K
G
M
G
G
A
M
D
L
V
S
S
A
K
T
K
V
V
V
-
T
M
E
H
----------------
S
A
K
G
N
A
H
K
I
M
E
K
C
T
L
P
L
T
G
K
Q
C
V
N
------
R
I
I
T
E
K
A
V
F
D
V
-
D
R
K
----
K
-
G
-
L
T
L
I
E
--
L
W
E
G
L
---
T
-
V
D
D
I
K
K
S
T
G
C
D
F
A
V
S
P
K
L
I
P
M
Q
Q
V
T
T
--------------
9
PsiBlast_PDB
76.13
20%
-79
- C4 -
1OOY
2
SCOT1_PIG
A:
[14-471]
-------------
I
P
N
G
A
T
V
L
V
G
G
F
G
L
-
C
G
I
P
E
N
L
I
G
A
L
L
K
-
T
G
-----
V
K
E
L
T
A
V
S
N
N
A
G
V
D
N
F
G
------
L
G
L
L
L
Q
S
K
Q
I
K
R
M
I
S
S
Y
V
G
E
N
A
E
F
E
R
Q
Y
L
A
G
E
L
E
V
E
L
T
P
Q
G
T
L
A
E
R
I
R
A
G
G
A
G
V
P
A
F
Y
T
S
T
G
Y
G
T
L
V
Q
E
---
G
G
S
P
I
K
Y
N
K
----
D
G
S
I
A
----
I
A
S
K
P
R
E
V
R
E
F
N
G
Q
H
F
I
L
-
E
-
E
A
I
R
G
D
F
A
L
V
K
A
W
K
A
D
Q
A
G
N
V
T
F
R
K
S
A
---
R
N
F
N
L
P
M
C
K
A
A
E
--
T
T
V
V
E
V
E
E
I
V
----------------------
D
I
G
S
----
F
A
P
E
D
I
H
I
P
-----
K
I
Y
V
------
H
R
L
-
V
-
K
G
E
K
Y
---------
E
K
R
I
E
R
-----------
N
V
-
R
E
R
I
I
K
R
A
A
L
E
F
E
----
D
G
------
M
Y
A
N
L
G
I
G
-
I
P
L
L
A
S
N
F
I
S
P
N
-----
M
T
V
H
L
Q
S
E
N
G
I
L
G
L
-----------
G
P
Y
PLQNEVD
A
D
L
I
N
A
------------
G
K
E
T
V
T
V
-
L
P
G
A
S
---------
Y
F
S
------
S
D
E
S
----
F
-----------
A
M
I
R
G
G
H
V
N
L
T
M
L
G
A
M
Q
V
S
K
Y
G
D
L
-
A
N
W
M
I
-
P
G
-
K
-
L
V
K
G
M
G
G
A
M
D
L
V
S
S
A
K
T
K
V
V
V
-
T
M
E
H
S
A
K
G
-
N
A
H
K
I
M
E
K
C
T
L
P
L
T
G
K
Q
C
-----
V
N
R
I
----------------
I
T
E
K
A
V
F
D
V
D
R
-
K
----
K
-
G
-
L
T
L
I
E
--
L
W
E
G
L
T
V
D
D
I
K
K
S
T
G
C
D
F
A
V
S
P
----------------------------
8
PsiBlast_PDB
75.50
20%
-81
- C4 -
1O9L
2
SCOT1_PIG
A:
[14-471]
-------------
I
P
N
G
A
T
V
L
V
G
G
F
G
L
-
C
G
I
P
E
N
L
I
G
A
L
L
K
-
T
G
-----
V
K
E
L
T
A
V
S
N
N
A
G
V
D
N
F
G
------
L
G
L
L
L
Q
S
K
Q
I
K
R
M
I
S
S
Y
V
G
E
N
A
E
F
E
R
Q
Y
L
A
G
E
L
E
V
E
L
T
P
Q
G
T
L
A
E
R
I
R
A
G
G
A
G
V
P
A
F
Y
T
S
T
G
Y
G
T
L
V
Q
E
---
G
G
S
P
I
K
Y
N
K
----
D
G
S
I
A
----
I
A
S
K
P
R
E
V
R
E
F
N
G
Q
H
F
I
L
-
E
-
E
A
I
R
G
D
F
A
L
V
K
A
W
K
A
D
Q
A
G
N
V
T
F
R
K
S
A
---
R
N
F
N
L
P
M
C
K
A
A
E
--
T
T
V
V
E
V
E
E
I
V
----------------------
D
I
G
S
----
F
A
P
E
D
I
H
I
P
-----
K
I
Y
V
------
H
R
L
-
V
-
K
G
E
K
Y
---------
E
K
R
I
E
R
L
S
V
R
K------
N
V
-
R
E
R
I
I
K
R
A
A
L
E
F
E
----
D
G
------
M
Y
A
N
L
G
I
G
-
I
P
L
L
A
S
N
F
I
S
P
N
-----
M
T
V
H
L
Q
S
E
N
G
I
L
G
L
-----------
G
P
Y
PLQNEVD
A
D
L
I
N
A
------------
G
K
E
T
V
T
V
-
L
P
G
A
S
---------
Y
F
S
------
S
D
E
S
----
F
-----------
A
M
I
R
G
G
H
V
N
L
T
M
L
G
A
M
Q
V
S
K
Y
G
D
L
-
A
N
W
M
I
-
P
G
-
K
-
L
V
K
G
M
G
G
A
M
D
L
V
S
S
A
K
T
K
V
V
V
-
T
M
E
H
S
A
K
G
-
N
A
H
K
I
M
E
K
C
T
L
P
L
T
G
K
Q
C
-----
V
N
R
I
----------------
I
T
E
K
A
V
F
D
V
D
R
-
K
----
K
-
G
-
L
T
L
I
E
--
L
W
E
G
L
T
V
D
D
I
K
K
S
T
G
C
D
F
A
V
S
P
----------------------------
7
PsiBlast_PDB
74.22
20%
-78
- C4 -
2NRB
1
SCOT1_PIG
A:
[14-471]
-------------
I
P
N
G
A
T
V
L
V
G
G
F
G
L
-
S
G
I
P
E
N
L
I
G
A
L
L
K
-
T
G
-----
V
K
E
L
T
A
V
S
N
N
A
G
V
D
N
F
G
------
L
G
L
L
L
Q
S
K
Q
I
K
R
M
I
S
S
Y
V
G
E
N
A
E
F
E
R
Q
Y
L
A
G
E
L
E
V
E
L
T
P
Q
G
T
L
A
E
R
I
R
A
G
G
A
G
V
P
A
F
Y
T
S
T
G
Y
G
T
L
V
Q
E
---
G
G
S
P
I
K
Y
N
K
----
D
G
S
I
A
----
I
A
S
K
P
R
E
V
R
E
F
N
G
Q
H
F
I
L
-
E
-
E
A
I
R
G
D
F
A
L
V
K
A
W
K
A
D
Q
A
G
N
V
T
F
R
K
S
A
---
R
N
F
N
L
P
M
C
K
A
A
E
--
T
T
V
V
E
V
E
E
I
V
----------------------
D
I
G
S
----
F
A
P
E
D
I
H
I
P
-----
K
I
Y
V
------
H
R
L
-
V
-
K
G
E
K
Y
---------
E
K
R
I
E
R
L
S
V
R
K------
N
V
-
R
E
R
I
I
K
R
A
A
L
E
F
E
----
D
G
------
M
Y
A
N
L
G
I
G
-
I
P
L
L
A
S
N
F
I
S
P
N
-----
M
T
V
H
L
Q
S
E
N
G
I
L
G
L
-----------
G
P
Y
PLQNEVD
A
D
L
I
N
A
------------
G
K
E
T
V
T
V
-
L
P
G
A
S
---------
Y
F
S
------
S
D
E
S
----
F
-----------
A
M
I
R
G
G
H
V
N
L
T
M
L
G
A
M
Q
V
S
K
Y
G
D
L
-
A
N
W
M
I
-
P
G
-
K
-
L
V
K
G
M
G
G
A
M
D
L
V
S
S
A
K
T
K
V
V
V
-
T
M
E
H
S
A
K
G
-
N
A
H
K
I
M
E
K
C
T
L
P
L
T
G
K
Q
C
-----
V
N
R
I
----------------
I
T
E
K
A
V
F
D
V
D
R
-
K
----
K
-
G
-
L
T
L
I
E
--
L
W
E
G
L
T
V
D
D
I
K
K
S
T
G
C
D
F
A
V
S
P
----------------------------
25
HHSearch
74.05
32%
-46
* C4 *
2AHU
-
YDIF_ECO57
A:
[13-525]
-
V
P
V
L
S
A
Q
E
A
V
N
Y
I
P
D
E
A
T
L
C
V
L
G
A
G
G
G
I
L
E
A
T
T
L
I
T
A
L
A
D
-
K
Y
K
Q
T
Q
T
P
R
N
L
S
I
I
S
P
T
-
G
L
G
D
R
A
D
-
R
G
--
I
S
P
L
A
Q
E
G
L
V
K
W
A
L
C
G
H
W
G
Q
S
P
R
I
S
D
L
A
E
Q
N
K
I
I
A
Y
N
Y
P
Q
G
V
L
T
Q
T
L
R
A
A
A
A
H
Q
P
G
I
I
S
D
I
G
I
G
T
F
V
D
P
R
Q
Q
G
G
K
L
N
E
V
T
K
----
E
D
L
I
K
----
L
V
E
-------
F
D
N
K
E
Y
L
Y
-
Y
-
K
A
I
A
P
D
I
A
F
I
R
A
T
T
C
D
S
E
G
Y
A
T
F
E
D
E
V
M
Y
L
D
A
L
V
I
A
Q
A
V
H
N
N
G
G
I
V
M
M
Q
V
Q
K
M
V
----------------------
K
K
A
T
----
L
H
P
K
S
V
R
I
P
G
Y
L
V
D
I
V
V
V
D
P
D
-
Q
S
Q
L
Y
-
G
-
G
-
A
P
V
---
N
R
F
I
S
G
D
F
T
L
D
---------
L
P
L
N
Q
-
R
K
L
V
A
R
R
A
L
F
E
M
R
----
K
G
------
A
V
G
N
V
G
V
G
-
I
A
D
G
I
G
L
V
A
R
-
E
-----
E
G
C
A
D-
D
F
I
L
T
V
E
T
-----------
G
P
I
-------
G
G
I
T
S
-----------------
G
A
N
-
V
N
T
R
A
---------
I
L
D
------
M
T
S
Q
----
F
-----------
D
F
Y
H
G
G
G
L
D
V
C
Y
L
S
F
A
E
V
D
Q
H
G
N
V
-
G
V
H
K
F
-
N
G
-
K
-
I
-
M
G
T
G
G
F
I
D
I
S
A
T
S
K
-
K
I
I
F
-
C
G
T
L
T
A
G
S
L
K
T
E
I
A
D
G
K
L
N
I
V
Q
E
G
R
V
K
K
F
I
R
E
L
P
E
I
T
F
S
G
K
I
A
L
E
R
G
L
D
V
R
Y
I
T
E
R
A
V
F
T
L
-
K
-
E
----
D
-
G
-
L
H
L
I
E
--
I
A
P
G
V
---
D
L
Q
K
D
I
L
D
K
M
D
F
T
P
V
I
S
P
E
L
K
L
M
D
E
R
L
F
I
D
A
A
M
G
F
V
------
11
PsiBlast_PDB
72.29
20%
-78
- C4 -
3OXO
-
SCOT1_PIG
A:
[14-471]
-------------
I
P
N
G
A
T
V
L
V
G
G
F
G
L
-
C
G
I
P
E
N
L
I
G
A
L
L
K
-
T
G
-----
V
K
E
L
T
A
V
S
N
N
A
G
V
D
N
F
G
------
L
G
L
L
L
Q
S
K
Q
I
K
R
M
I
S
S
Y
V
G
E
N
A
E
F
E
R
Q
Y
L
A
G
E
L
E
V
E
L
T
P
Q
G
T
L
A
E
R
I
R
A
G
G
A
G
V
P
A
F
Y
T
S
T
G
Y
G
T
L
V
Q
E
---
G
G
S
P
I
K
Y
N
K
----
D
G
S
I
A
----
I
A
S
K
P
R
E
V
R
E
F
N
G
Q
H
F
I
L
-
E
-
E
A
I
R
G
D
F
A
L
V
K
A
W
K
A
D
Q
A
G
N
V
T
F
R
K
S
A
---
R
N
F
N
L
P
M
C
K
A
A
E
--
T
T
V
V
E
V
E
E
I
V
----------------------
D
I
G
S
----
F
A
P
E
D
I
H
I
P
-----
K
I
Y
V
------
H
R
L
-
V
-
K
G
E
K
Y
---------
E
K
R
I
E
R
L
S
V
R
K----
G
D
N
V
-
R
E
R
I
I
K
R
A
A
L
E
F
E
----
D
G
------
M
Y
A
N
L
G
I
G
-
I
P
L
L
A
S
N
F
I
S
P
N
-----
M
T
V
H
L
Q
S
E
N
G
I
L
G
L
-----------
G
P
Y
PLQNEVD
A
D
L
I
N
A
------------
G
K
E
T
V
T
V
-
L
P
G
A
S
---------
Y
F
S
------
S
D
E
S
----
F
-----------
A
M
I
R
G
G
H
V
N
L
T
M
L
G
A
M
Q
V
S
K
Y
G
D
L
-
A
N
W
M
I
-
P
G
-
K
-
L
V
K
G
M
G
G
A
M
D
L
V
S
S
A
K
T
K
V
V
V
-
T
M
E
H
S
A
K
G
-
N
A
H
K
I
M
E
K
C
T
L
P
L
T
G
K
Q
C
-----
V
N
R
I
----------------
I
T
E
K
A
V
F
D
V
D
R
-
K
----
K
-
G
-
L
T
L
I
E
--
L
W
E
G
L
T
V
D
D
I
K
K
S
T
G
C
D
F
A
V
S
P
----------------------------
3
PsiBlast_PDB
70.66
35%
-42
- C4 -
2AHU
-
YDIF_ECO57
A:
[41-517]
------------------------------
L
E
A
T
T
L
I
T
A
L
A
D
K
Y
K
Q
T
Q
T
P
R
N
L
S
I
I
S
P
T
----
G
L
G
D
R
A
D
RG
I
S
P
L
A
Q
E
G
L
V
K
W
A
L
C
G
H
W
G
Q
S
P
R
I
S
D
L
A
E
Q
N
K
I
I
A
Y
N
Y
P
Q
G
V
L
T
Q
T
L
R
A
A
A
A
H
Q
P
G
I
I
S
D
I
G
I
G
T
F
V
D
P
R
Q
Q
G
G
K
L
N
E
V
T
K
----
E
D
L
I
K
----
L
V
E
-------
F
D
N
K
E
Y
L
Y
-
Y
-
K
A
I
A
P
D
I
A
F
I
R
A
T
T
C
D
S
E
G
Y
A
T
F
E
D
E
V
M
Y
L
D
A
L
V
I
A
Q
A
V
H
N
N
G
G
I
V
M
M
Q
V
Q
K
M
V
----------------------
K
K
A
T
----
L
H
P
K
S
V
R
I
P
G
Y
L
V
D
I
V
V
V
D
P
D
Q
S
Q
L
Y
G
-
G
-
A
P
V
N
R
---
F
--
I
S
G
D
F
T
L
D
---------
L
P
L
N
Q
-
R
K
L
V
A
R
R
A
L
F
E
M
R
----
K
G
------
A
V
G
N
V
G
V
G
-
I
A
D
G
I
G
L
V
A
R
E
E
-----
G
C
A
D
--
D
F
I
L
T
V
E
T
-----------
G
P
I
-------
G
G
I
T
S
-----------------
G
A
N
-
V
N
T
R
A
---------
I
L
D
------
M
T
S
Q
----
F
-----------
D
F
Y
H
G
G
G
L
D
V
C
Y
L
S
F
A
E
V
D
Q
H
G
N
V
-
G
V
H
K
F
-
N
G
-
K
-
I
-
M
G
T
G
G
F
I
D
I
S
A
T
S
K
-
K
I
I
F
-
C
G
T
L
T
A
G
S
L
K
T
E
I
A
D
G
K
L
N
I
V
Q
E
G
R
V
K
K
F
I
R
E
L
P
E
I
T
F
S
G
K
I
A
L
E
R
G
L
D
V
R
Y
I
T
E
R
A
V
F
T
L
-
K
-
E
----
D
-
G
-
L
H
L
I
E
--
I
A
P
G
V
---
D
L
Q
K
D
I
L
D
K
M
D
F
T
P
V
I
S
P
E
L
K
L
M
D
E
R
L
F
--------------
35
HHSearch
62.21
18%
-83
- C4 -
2G39
7
?
A:
[13-478]
-
D
K
V
M
S
A
A
E
A
A
D
L
I
Q
D
G
M
T
V
G
M
S
G
F
T
R
-
A
G
E
A
K
A
V
P
Q
A
L
A
M
-
R
A
K
--
E
R
P
L
R
I
S
L
M
T
G
A
-
S
L
G
N
----
D
L
--
D
K
Q
L
T
E
A
G
V
L
A
R
R
-
M
P
F
-
Q
V
D
S
T
L
R
K
A
I
N
A
G
E
V
M
F
--
I
----------------
D
Q
H
-----------------------------------------------
L
S
E
T
V
E
Q
L
R
N
H
Q
L
K
L
P
D
I
A
V
I
E
A
A
A
I
T
E
Q
G
H
I
V
P
T
T
S
V
G
--
N
S
A
S
F
A
I
F
A
K
----
Q
V
I
V
E
I
N
L
A
H
STNLEGL
H
D
I
Y
I
P
T
YRPTRTPI
P
L
T
R
VDDR
I
G
S
T
A
I
P
I
P
P
E
K
I
V
A
I
V
I
N
D
Q
----
P
D
S
P
-
S
-----------------
T
-------
V
L
P
P
D
G
E
-
T
Q
A
I
A
N
H
L
I
D
F
F
K
R
E
V
D
A
G
RMSNSL
G
P
L
Q
A
G
I
G
S
I
A
N
A
V
M
C
G
L
I
E
S
-----
P
F
-
E
--
N
L
T
M
Y
S
E
V
LQ
D
S
T
F
D
L
I
D
A
G
K
L
-------
R
F
A
--
S
------------
G
S
S
I
T
L
S
P
R
R
N
A
D
---------
V
F
G
------
N
L
E
R
YKDK
L
V
L
R
P
Q
E
I
S
N
H
P
E
V
V
R
R
L
-
G
I
I
G
I
N
T
A
L
E
F
D
I
Y
G
N
V
-
N
S
T
H
V
-
G
G
T
K
M
M
-
N
G
I
G
G
S
G
D
F
A
R
N
A
H
-
L
A
I
F
-
V
T
K
S
I
A
K
---------------
G
G
N
I
S
S
V
V
P
M
V
S
H
V
D
H
T
------
E
H
D
V
D
I
L
V
T
E
Q
G
L
A
D
L
-
R
-
G
LA
P
R
E
-
R
A
R
V
I
I
E
N
C
V
H
P
S
Y
Q
A
-
P
L
L
D
Y
F
E
A
A
C
A
K
G
G
H
T
P
H
L
L
----------------------