@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 : Lmo1027: (2016-03-20 )
MKFVKNNETAVFALGGLGEIGKNTYGVQFQDEIILIDAGIKFPEDELLGIDYVIPDYSYLVKNKDKIKGLFITHGHEDHIGGVPYLLRDLNIPIYAGKLASALIRNKLEEHGLLRQTKIYEYEEDDVFKFRKTSISFFRTTHSIPDTYGIVVKTPSGNIVHTGDFKFDFTPVGEPANLTKMAEIGKEGVLCLLSDSTNAEVPNFTMSERVVGESIKNIFRDVEGRIIFATFASNIYRLQQVVESSIETGRKIAVFGRSMESAMEIGKQLGYIQAPKDTFIDVHQLNKTPAGNVTILCTGSQGEPMAALSRIANGTHRQIQIQPGDTVVFSSSPIPGNTTSVNRTINLLYQAGAEVIHGKVNNIHTSGHGGQQEQKLMLRLMKPKFFMPIHGEFRMQKIHAESAEECGVPEENSFIMANGDVLALTSETAHVAGKIHAASVYIDGSGIGDIGNIVLRDRRILSEEGLVIVVVSIDMKNSRVMAGPDIISRGFIYMRESGNLIGEAQGLLTRHLNKVMEQKTTQWSEIKNEITDTLQPFLYEKTKRRPMILPIIMEV
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.......530.......540.......550...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKFVKNN
E
T
A
V
F
A
LGGL
G
E
IGKNTY
G
V
Q
F
Q
D
E
I
I
L
I
DAGIKF--------------------PED--E-----
L
-
L
G
-------
I
D
Y
VIP
D
----------
Y
S
Y
L
------------VKNKD-K
I
K
G
L
F
I
THGHEDHIG
G
V
P
Y
L
L
-----
R
D--L-----NI
P
I
Y
A
G
K
L
A
S
A
L
I
R
N
K
L
E
E
HGL---------L----------------RQ
T
-
K
---------
I
Y
E----------YEED
D
V
F
K
F
-
R
-KT
S
I
S
F
F
R
TTHSIPDT
Y
G
---
I
V
V
KT--P--SG
N
I
V
H
TGD
F
K
F
------
D
F
TPV-GEPA
N
L
T
K
M
----
A
E
IGKE
G
V
L
C
L
LSDSTNAEVPN
F
--------
T
M
--
S
E
R
-
V
V
G
E
S
I
K
N
I
F
-
R
D---V---EG
R
I
I
F
A
T
F
A
S
N
I
Y
R
L
Q
Q
V
V
E
S
S
I
ETG-----
R
--------
K
-------
I
A
V
FG
R
S
M
E
S
A
M
E
I
---
G
K
Q-L-GYIQA--------------P---------KD-------
T
F
I
-------
D
---
V
-H---QLNK-T-PAG
N
V
T
I
L
C
T-GS----QG
E
P
M
A
A
L
S
R
I
ANGT
H
R
Q
I
Q
IQPG
D
T
V
V
F
SSSPIPGNT-TS-
V
--
N
-----
R
------
T
-
I
N
-----
L
L
Y
-QAG----
A
E
VIHG-K--VN
N
-
I
-HTSGHGG
Q
Q
E
Q
K
L
M
L
R
LMK--P
K
F
F
MPIHG
E
F
R
M
Q
K
I
H
AE
S
A
E
-ECGVP---EEN
S
F
I
M
ANG
D
V
L
A
LTSET
A
H
V
A
G
K
I
H
A
A
S
V
Y
I
DGSGIG
D
I
G
N
I
V
L
RDRRILSEE
G
L
V
I
V
V
V
S
I
DMKNSRVMA
G
P
D
----
I
I
SR
G
F
I
Y
M
RESGNLI
G
E
A
Q
G
L
L
T
R
H
L
-
N
K
V
M
E
Q
KT
T
Q
W
S
E
I
K
N
E
I
T
D
T
L
Q
P
F
L
Y
E
K
TKRR
P
M
I
L
P
I
I
MEV
1
PsiBlast_PDB
99.69
81%
-113
- C1 -
3ZQ4
4
RNJ1_BACSU
A:
[6-555]
-----
N
D
Q
T
A
V
F
A
L
G
G
L
G
E
I
G
K
N
T
Y
A
V
Q
F
Q
D
E
I
V
L
I
D
A
G
I
K
F
--------------------
P
E
D
--
E
-----
L
-
L
G
-------
I
D
Y
V
I
P
D
----------
Y
T
Y
L
------------
V
K
N
E
D
-
K
I
K
G
L
F
I
T
H
G
H
E
D
H
I
G
G
I
P
Y
L
L
-----
R
Q
--
V
-----
N
I
P
V
Y
G
G
K
L
A
I
G
L
L
R
N
K
L
E
E
H
G
L
---------
L
----------------
R
Q
T
-
K
---------
L
N
I
----------
I
G
E
D
D
I
V
K
F
-
R
-
K
T
A
V
S
F
F
R
T
T
H
S
I
P
D
S
Y
G
---
I
V
V
K
T
--
P
--
P
G
N
I
V
H
T
G
D
F
K
F
------
D
F
T
P
V
-
G
E
P
A
N
L
T
K
M
----
A
E
I
G
K
E
G
V
L
C
L
L
S
D
S
T
N
S
E
N
P
E
F
--------
T
M
--
S
E
R
-
R
V
G
E
S
I
H
D
I
F
-
R
K
---
V
---
D
G
R
I
I
F
A
T
F
A
S
N
I
H
R
L
Q
Q
V
I
E
A
A
V
Q
N
G
-----
R
--------
K
-------
V
A
V
F
G
R
S
M
E
S
A
I
E
I
---
G
Q
T
-
L
-
G
Y
I
N
C
--------------
P
---------
K
N
-------
T
F
I
-------
E
---
H
-
N
---
E
I
N
R
-
M
-
P
A
N
K
V
T
I
L
C
T
-
G
S
----
Q
G
E
P
M
A
A
L
S
R
I
A
N
G
T
H
R
Q
I
S
I
N
P
G
D
T
V
V
F
S
S
S
P
I
P
G
N
T
-
I
S
-
V
--
S
-----
R
------
T
-
I
N
-----
Q
L
Y
-
R
A
G
----
A
E
V
I
H
G
-
P
--
L
N
D
-
I
-
H
T
S
G
H
G
G
Q
E
E
Q
K
L
M
L
R
L
I
K
--
P
K
F
F
M
P
I
H
G
E
Y
R
M
Q
K
M
H
V
K
L
A
T
-
D
C
G
I
P
---
E
E
N
C
F
I
M
D
N
G
E
V
L
A
L
K
G
D
E
A
S
V
A
G
K
I
P
S
G
S
V
Y
I
D
G
S
G
I
G
D
I
G
N
I
V
L
R
D
R
R
I
L
S
E
E
G
L
V
I
V
V
V
S
I
D
M
D
D
F
K
I
S
A
G
P
D
----
L
I
S
R
G
F
V
Y
M
R
E
S
G
D
L
I
N
D
A
Q
E
L
I
S
N
H
L
-
Q
K
V
M
E
R
K
T
T
Q
W
S
E
I
K
N
E
I
T
D
T
L
A
P
F
L
Y
E
K
T
K
R
R
P
M
I
L
P
I
I
M
E
V
21
PsiBlast_CBE
99.24
81%
-114
- C1 -
3ZQ4
4
RNJ1_BACSU
E:
[6-555]
-----
N
D
Q
T
A
V
F
A
L
G
G
L
G
E
I
G
K
N
T
Y
A
V
Q
F
Q
D
E
I
V
L
I
D
A
G
I
K
F
--------------------
P
E
D
--
E
-----
L
-
L
G
-------
I
D
Y
V
I
P
D
----------
Y
T
Y
L
------------
V
K
N
E
D
-
K
I
K
G
L
F
I
T
H
G
H
E
D
H
I
G
G
I
P
Y
L
L
-----
R
Q
--
V
-----
N
I
P
V
Y
G
G
K
L
A
I
G
L
L
R
N
K
L
E
E
H
G
L
---------
L
----------------
R
Q
T
-
K
---------
L
N
I
----------
I
G
E
D
D
I
V
K
F
-
R
-
K
T
A
V
S
F
F
R
T
T
H
S
I
P
D
S
Y
G
---
I
V
V
K
T
--
P
--
P
G
N
I
V
H
T
G
D
F
K
F
------
D
F
T
P
V
-
G
E
P
A
N
L
T
K
M
----
A
E
I
G
K
E
G
V
L
C
L
L
S
D
S
T
N
S
E
N
P
E
F
--------
T
M
--
S
E
R
-
R
V
G
E
S
I
H
D
I
F
-
R
K
---
V
---
D
G
R
I
I
F
A
T
F
A
S
N
I
H
R
L
Q
Q
V
I
E
A
A
V
Q
N
G
-----
R
--------
K
-------
V
A
V
F
G
R
S
M
E
S
A
I
E
I
---
G
Q
T
-
L
-
G
Y
I
N
C
--------------
P
---------
K
N
-------
T
F
I
-------
E
---
H
-
N
---
E
I
N
R
-
M
-
P
A
N
K
V
T
I
L
C
T
-
G
S
----
Q
G
E
P
M
A
A
L
S
R
I
A
N
G
T
H
R
Q
I
S
I
N
P
G
D
T
V
V
F
S
S
S
P
I
P
G
N
T
-
I
S
-
V
--
S
-----
R
------
T
-
I
N
-----
Q
L
Y
-
R
A
G
----
A
E
V
I
H
G
-
P
--
L
N
D
-
I
-
H
T
S
G
H
G
G
Q
E
E
Q
K
L
M
L
R
L
I
K
--
P
K
F
F
M
P
I
H
G
E
Y
R
M
Q
K
M
H
V
K
L
A
T
-
D
C
G
I
P
---
E
E
N
C
F
I
M
D
N
G
E
V
L
A
L
K
G
D
E
A
S
V
A
G
K
I
P
S
G
S
V
Y
I
D
G
S
G
I
G
D
I
G
N
I
V
L
R
D
R
R
I
L
S
E
E
G
L
V
I
V
V
V
S
I
D
M
D
D
F
K
I
S
A
G
P
D
----
L
I
S
R
G
F
V
------
D
L
I
N
D
A
Q
E
L
I
S
N
H
L
-
Q
K
V
M
E
R
K
T
T
Q
W
S
E
I
K
N
E
I
T
D
T
L
A
P
F
L
Y
E
K
T
K
R
R
P
M
I
L
P
I
I
M
E
V
23
PsiBlast_CBE
98.49
81%
-113
- C1 -
3ZQ4
4
RNJ1_BACSU
C:
[6-555]
-----
N
D
Q
T
A
V
F
A
L
G
G
L
G
E
I
G
K
N
T
Y
A
V
Q
F
Q
D
E
I
V
L
I
D
A
G
I
K
F
--------------------
P
E
D
--
E
-----
L
-
L
G
-------
I
D
Y
V
I
P
D
----------
Y
T
Y
L
------------
V
K
N
E
D
-
K
I
K
G
L
F
I
T
H
G
H
E
D
H
I
G
G
I
P
Y
L
L
-----
R
Q
--
V
-----
N
I
P
V
Y
G
G
K
L
A
I
G
L
L
R
N
K
L
E
E
H
G
L
---------
L
----------------
R
Q
T
-
K
---------
L
N
I
----------
I
G
E
D
D
I
V
K
F
-
R
-
K
T
A
V
S
F
F
R
T
T
H
S
I
P
D
S
Y
G
---
I
V
V
K
T
--
P
--
P
G
N
I
V
H
T
G
D
F
K
F
------
D
F
T
P
V
-
G
E
P
A
N
L
T
K
M
----
A
E
I
G
K
E
G
V
L
C
L
L
S
D
S
T
N
S
E
N
P
E
F
--------
T
M
--
S
E
R
-
R
V
G
E
S
I
H
D
I
F
-
R
K
---
V
---
D
G
R
I
I
F
A
T
F
A
S
N
I
H
R
L
Q
Q
V
I
E
A
A
V
Q
N
G
-----
R
--------
K
-------
V
A
V
F
G
R
S
M
E
S
A
I
E
I
---
G
Q
T
-
L
-
G
Y
I
N
C
--------------
P
---------
K
N
-------
T
F
I
-------
E
---
H
-
N
---
E
I
N
R
-
M
-
P
A
N
K
V
T
I
L
C
T
-
G
S
----
Q
G
E
P
M
A
A
L
S
R
I
A
N
G
T
H
R
Q
I
S
I
N
P
G
D
T
V
V
F
S
S
S
P
I
P
G
N
T
-
I
S
-
V
--
S
-----
R
------
T
-
I
N
-----
Q
L
Y
-
R
A
G
----
A
E
V
I
H
G
-
P
--
L
N
D
-
I
-
H
T
S
G
H
G
G
Q
E
E
Q
K
L
M
L
R
L
I
K
--
P
K
F
F
M
P
I
H
G
E
Y
R
M
Q
K
M
H
V
K
L
A
T
-
D
C
G
I
P
---
E
E
N
C
F
I
M
D
N
G
E
V
L
A
L
K
G
D
E
A
S
V
A
G
K
I
P
S
G
S
V
Y
I
D
G
S
G
I
G
D
I
G
N
I
V
L
R
D
R
R
I
L
S
E
E
G
L
V
I
V
V
V
S
I
D
M
D
D
F
K
I
S
A
G
P
D
----
L
I
S
R
G
F
V
--------
I
N
D
A
Q
E
L
I
S
N
H
L
-
Q
K
V
M
E
R
K
T
T
Q
W
S
E
I
K
N
E
I
T
D
T
L
A
P
F
L
Y
E
K
T
K
R
R
P
M
I
L
P
I
I
M
E
V
22
PsiBlast_CBE
98.26
81%
-115
- C1 -
3ZQ4
4
RNJ1_BACSU
D:
[6-555]
-----
N
D
Q
T
A
V
F
A
L
G
G
L
G
E
I
G
K
N
T
Y
A
V
Q
F
Q
D
E
I
V
L
I
D
A
G
I
K
F
--------------------
P
E
D
--
E
-----
L
-
L
G
-------
I
D
Y
V
I
P
D
----------
Y
T
Y
L
------------
V
K
N
E
D
-
K
I
K
G
L
F
I
T
H
G
H
E
D
H
I
G
G
I
P
Y
L
L
-----
R
Q
--
V
-----
N
I
P
V
Y
G
G
K
L
A
I
G
L
L
R
N
K
L
E
E
H
G
L
---------
L
----------------
R
Q
T
-
K
---------
L
N
I
----------
I
G
E
D
D
I
V
K
F
-
R
-
K
T
A
V
S
F
F
R
T
T
H
S
I
P
D
S
Y
G
---
I
V
V
K
T
--
P
--
P
G
N
I
V
H
T
G
D
F
K
F
------
D
F
T
P
V
-
G
E
P
A
N
L
T
K
M
----
A
E
I
G
K
E
G
V
L
C
L
L
S
D
S
T
N
S
E
N
P
E
F
--------
T
M
--
S
E
R
-
R
V
G
E
S
I
H
D
I
F
-
R
K
---
V
---
D
G
R
I
I
F
A
T
F
A
S
N
I
H
R
L
Q
Q
V
I
E
A
A
V
Q
N
G
-----
R
--------
K
-------
V
A
V
F
G
R
S
M
E
S
A
I
E
I
---
G
Q
T
-
L
-
G
Y
I
N
C
--------------
P
---------
K
N
-------
T
F
I
-------
E
---
H
-
N
---
E
I
N
R
-
M
-
P
A
N
K
V
T
I
L
C
T
-
G
S
----
Q
G
E
P
M
A
A
L
S
R
I
A
N
G
T
H
R
Q
I
S
I
N
P
G
D
T
V
V
F
S
S
S
P
I
P
G
N
T
-
I
S
-
V
--
S
-----
R
------
T
-
I
N
-----
Q
L
Y
-
R
A
G
----
A
E
V
I
H
G
-
P
--
L
N
D
-
I
-
H
T
S
G
H
G
G
Q
E
E
Q
K
L
M
L
R
L
I
K
--
P
K
F
F
M
P
I
H
G
E
Y
R
M
Q
K
M
H
V
K
L
A
T
-
D
C
G
I
P
---
E
E
N
C
F
I
M
D
N
G
E
V
L
A
L
K
G
D
E
A
S
V
A
G
K
I
P
S
G
S
V
Y
I
D
G
S
G
I
G
D
I
G
N
I
V
L
R
D
R
R
I
L
S
E
E
G
L
V
I
V
V
V
S
I
D
M
D
D
F
K
I
S
A
G
P
D
----
L
I
S
R
G
F
V
------
D
L
I
N
D
A
Q
E
L
I
S
N
H
L
-
Q
K
V
M
------
W
S
E
I
K
N
E
I
T
D
T
L
A
P
F
L
Y
E
K
T
K
R
R
P
M
I
L
P
I
I
M
E
V
35
HHSearch
83.91
42%
-92
* C1 *
3BK2
7
RNJ_THET2
A:
[14-561]
-----
Q
D
H
V
E
I
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
F
R
D
E
I
F
V
L
D
G
G
L
A
F
--------------------
P
E
E
--
G
-----
M
-
P
G
-------
V
D
L
L
I
P
R
----------
V
D
Y
L
------------
I
E
H
R
H
-
K
I
K
A
W
V
L
T
H
G
H
E
D
H
I
G
G
L
P
F
L
L
-----
P
M
--
I
FGKES
P
V
P
I
Y
G
A
R
L
T
L
G
L
L
R
G
K
L
E
E
F
G
L
R--------
P
----------------
G
A
F
-
N
---------
L
K
E
----------
I
S
P
D
D
R
I
Q
V
-
G
R
Y
F
T
L
D
L
F
R
M
T
H
S
I
P
D
N
S
G
---
V
V
I
R
T
--
P
--
I
G
T
I
V
H
T
G
D
F
K
L
------
D
P
T
P
I
D
G
K
V
S
H
L
A
K
V
----
A
Q
A
G
A
E
G
V
L
L
L
I
A
D
A
T
N
A
E
R
P
G
Y
--------
T
P
--
S
E
M
-
E
I
A
K
E
L
D
R
V
I
-
G
R
---
A
---
P
G
R
V
F
V
T
T
F
A
S
H
I
H
R
I
Q
S
V
I
W
A
A
E
K
Y
G
-----
R
--------
K
-------
V
A
M
E
G
R
S
M
L
K
F
S
R
I
---
A
L
E
-
L
-
G
Y
L
K
V
--------------
K
---------
D
--------
R
L
Y
-------
T
---
L
-
E
---
E
V
K
D
-
L
-
P
D
H
Q
V
L
I
L
A
T
-
G
S
----
Q
G
Q
P
M
S
V
L
H
R
L
A
F
E
G
H
A
K
M
A
I
K
P
G
D
T
V
I
L
S
S
S
P
I
P
G
N
E
-
E
A
-
V
--
N
-----
R
------
V
-
I
N
-----
R
L
Y
-
A
L
G
----
A
Y
V
L
Y
P
-
P
--
T
Y
K
-
V
-
H
A
S
G
H
A
S
Q
E
E
L
K
L
I
L
N
L
T
T
--
P
R
F
F
L
P
W
H
G
E
V
R
H
Q
M
N
F
K
W
L
A
E
-
S
M
S
R
P
---
P
E
K
T
L
I
G
E
N
G
A
V
Y
R
L
T
R
E
T
F
E
K
V
G
E
V
P
H
G
V
L
Y
V
D
G
L
G
V
G
D
I
T
E
E
I
L
A
D
R
R
H
M
A
E
E
G
L
V
V
I
T
A
L
A
G
E
D
P
-----
V
V
E
----
V
V
S
R
G
F
V
K
A
G
--
E
R
L
L
G
E
V
R
R
M
A
L
E
A
L
-
K
N
G
V
R
-
E
K
K
P
L
E
R
I
R
D
D
I
Y
Y
P
V
K
K
F
L
K
K
A
T
G
R
D
P
M
I
L
P
V
V
I
E
-
5
PsiBlast_PDB
83.81
41%
-92
- C1 -
3BK2
7
RNJ_THET2
A:
[14-561]
-----
Q
D
H
V
E
I
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
F
R
D
E
I
F
V
L
D
G
G
L
A
F
--------------------
P
E
E
--
G
-----
M
-
P
G
-------
V
D
L
L
I
P
R
----------
V
D
Y
L
------------
I
E
H
R
H
-
K
I
K
A
W
V
L
T
H
G
H
E
D
H
I
G
G
L
P
F
L
L
P
M
I
FG
K
E
--
S
-----
P
V
P
I
Y
G
A
R
L
T
L
G
L
L
R
G
K
L
E
E
F
G
L
---------
R
----------------
P
G
A
F
N
---------
L
K
E
----------
I
S
P
D
D
R
I
Q
V
G
R
-
Y
F
T
L
D
L
F
R
M
T
H
S
I
P
D
N
S
G
---
V
V
I
R
T
--
P
--
I
G
T
I
V
H
T
G
D
F
K
L
------
D
P
T
P
I
D
G
K
V
S
H
L
A
K
V
----
A
Q
A
G
A
E
G
V
L
L
L
I
A
D
A
T
N
A
E
R
P
G
Y
--------
T
P
--
S
E
M
-
E
I
A
K
E
L
D
R
V
I
-
G
R
---
A
---
P
G
R
V
F
V
T
T
F
A
S
H
I
H
R
I
Q
S
V
I
W
A
A
E
K
Y
G
-----
R
--------
K
-------
V
A
M
E
G
R
S
M
L
K
F
S
R
I
---
A
L
E
-
L
-
G
Y
L
K
V
------------------------
K
D
-------
R
L
Y
-------
T
---
L
-
E
---
E
V
K
D
-
L
-
P
D
H
Q
V
L
I
L
A
T
-
G
S
----
Q
G
Q
P
M
S
V
L
H
R
L
A
F
E
G
H
A
K
M
A
I
K
P
G
D
T
V
I
L
S
S
S
P
I
P
G
N
E
-
E
A
-
V
--
N
-----
R
------
V
-
I
N
-----
R
L
Y
-
A
L
G
----
A
Y
V
L
Y
P
-
P
--
T
Y
K
-
V
-
H
A
S
G
H
A
S
Q
E
E
L
K
L
I
L
N
L
T
T
--
P
R
F
F
L
P
W
H
G
E
V
R
H
Q
M
N
F
K
W
L
A
E
-
S
M
S
R
P
---
P
E
K
T
L
I
G
E
N
G
A
V
Y
R
L
T
R
E
T
F
E
K
V
G
E
V
P
H
G
V
L
Y
V
D
G
L
G
V
G
D
I
T
E
E
I
L
A
D
R
R
H
M
A
E
E
G
L
V
V
I
T
---------
A
L
A
G
E
D
P
V
V
E
V
V
S
R
G
F
V
K
A
G
E
--
R
L
L
G
E
V
R
R
M
A
L
E
A
L
K
N
G
V
R
E
K
K
P
L
E
--
R
I
R
D
D
I
Y
Y
P
V
K
K
F
L
K
K
A
T
G
R
D
P
M
I
L
P
V
V
I
E
-
4
PsiBlast_PDB
83.21
41%
-90
- C1 -
3BK1
7
RNJ_THET2
A:
[14-561]
-----
Q
D
H
V
E
I
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
F
R
D
E
I
F
V
L
D
G
G
L
A
F
--------------------
P
E
E
--
G
-----
M
-
P
G
-------
V
D
L
L
I
P
R
----------
V
D
Y
L
------------
I
E
H
R
H
-
K
I
K
A
W
V
L
T
H
G
H
E
D
H
I
G
G
L
P
F
L
L
P
M
I
FG
K
E
--
S
-----
P
V
P
I
Y
G
A
R
L
T
L
G
L
L
R
G
K
L
E
E
F
G
L
---------
R
----------------
P
G
A
F
N
---------
L
K
E
----------
I
S
P
D
D
R
I
Q
V
G
R
-
Y
F
T
L
D
L
F
R
M
T
H
S
I
P
D
N
S
G
---
V
V
I
R
T
--
P
--
I
G
T
I
V
H
T
G
D
F
K
L
------
D
P
T
P
I
D
G
K
V
S
H
L
A
K
V
----
A
Q
A
G
A
E
G
V
L
L
L
I
A
D
A
T
N
A
E
R
P
G
Y
--------
T
P
--
S
E
M
-
E
I
A
K
E
L
D
R
V
I
-
G
R
---
A
---
P
G
R
V
F
V
T
T
F
A
S
H
I
H
R
I
Q
S
V
I
W
A
A
E
K
Y
G
-----
R
--------
K
-------
V
A
M
E
G
R
S
M
L
K
F
S
R
I
---
A
L
E
-
L
-
G
Y
L
K
V
------------------------
K
D
-------
R
L
Y
-------
T
---
L
-
E
---
E
V
K
D
-
L
-
P
D
H
Q
V
L
I
L
A
T
-
G
S
----
Q
G
Q
P
M
S
V
L
H
R
L
A
F
E
G
H
A
K
M
A
I
K
P
G
D
T
V
I
L
S
S
S
P
I
P
G
N
E
-
E
A
-
V
--
N
-----
R
------
V
-
I
N
-----
R
L
Y
-
A
L
G
----
A
Y
V
L
Y
P
-
P
--
T
Y
K
-
V
-
H
A
S
G
H
A
S
Q
E
E
L
K
L
I
L
N
L
T
T
--
P
R
F
F
L
P
W
H
G
E
V
R
H
Q
M
N
F
K
W
L
A
E
-
S
M
S
R
P
---
P
E
K
T
L
I
G
E
N
G
A
V
Y
R
L
T
R
E
T
F
E
K
V
G
E
V
P
H
G
V
L
Y
V
D
G
L
G
V
G
D
I
T
E
E
I
L
A
D
R
R
H
M
A
E
E
G
L
V
V
I
T
---------
A
L
A
G
E
D
P
V
V
E
V
V
S
R
G
F
V
K
A
G
E
--
R
L
L
G
E
V
R
R
M
A
L
E
A
L
K
N
G
V
R
E
K
K
P
L
E
--
R
I
R
D
D
I
Y
Y
P
V
K
K
F
L
K
K
A
T
G
R
D
P
M
I
L
P
V
V
I
E
-
3
PsiBlast_PDB
82.74
42%
-95
- C1 -
3T3O
3
RNJ_THET2
A:
[15-562]
-----
Q
D
H
V
E
I
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
F
R
D
E
I
F
V
L
D
G
G
L
A
F
--------------------
P
E
E
--
G
-----
M
-
P
G
-------
V
D
L
L
I
P
R
----------
V
D
Y
L
------------
I
E
H
R
H
-
K
I
K
A
W
V
L
T
H
G
A
E
D
H
I
G
G
L
P
F
L
L
P
M
I
FG
K
E
--
S
-----
P
V
P
I
Y
G
A
R
L
T
L
G
L
L
R
G
K
L
E
E
F
G
L
---------
R
----------------
P
G
A
F
N
---------
L
K
E
----------
I
S
P
D
D
R
I
Q
V
G
R
-
Y
F
T
L
D
L
F
R
M
T
H
S
I
P
D
N
S
G
---
V
V
I
R
T
--
P
--
I
G
T
I
V
H
T
G
D
F
K
L
------
D
P
T
P
I
D
G
K
V
S
H
L
A
K
V
----
A
Q
A
G
A
E
G
V
L
L
L
I
A
D
A
T
N
A
E
R
P
G
Y
--------
T
P
--
S
E
M
-
E
I
A
K
E
L
D
R
V
I
-
G
R
---
A
---
P
G
R
V
F
V
T
T
F
A
S
H
I
H
R
I
Q
S
V
I
W
A
A
E
K
Y
G
-----
R
--------
K
-------
V
A
M
E
G
R
S
M
L
K
F
S
R
I
---
A
L
E
-
L
-
G
Y
L
K
V
------------------------
K
D
-------
R
L
Y
-------
T
---
L
-
E
---
E
V
K
D
-
L
-
P
D
H
Q
V
L
I
L
A
T
-
G
S
----
Q
G
Q
P
M
S
V
L
H
R
L
A
F
E
G
H
A
K
M
A
I
K
P
G
D
T
V
I
L
S
S
S
P
I
P
G
N
E
-
E
A
-
V
--
N
-----
R
------
V
-
I
N
-----
R
L
Y
-
A
L
G
----
A
Y
V
L
Y
P
-
P
--
T
Y
K
-
V
-
H
A
S
G
H
A
S
Q
E
E
L
K
L
I
L
N
L
T
T
--
P
R
F
F
L
P
W
H
G
E
V
R
H
Q
M
N
F
K
W
L
A
E
-
S
M
S
R
P
---
P
E
K
T
L
I
G
E
N
G
A
V
Y
R
L
T
R
E
T
F
E
K
V
G
E
V
P
H
G
V
L
Y
V
D
G
L
G
V
G
D
I
T
E
E
I
L
A
D
R
R
H
M
A
E
E
G
L
V
V
I
T
---------
A
L
A
G
E
D
P
V
V
E
V
V
S
R
G
F
V
K
A
G
E
--
R
L
L
G
E
V
R
R
M
A
L
E
A
L
K
N
G
V
R
E
K
K
P
L
E
--
R
I
R
D
D
I
Y
Y
P
V
K
K
F
L
K
K
A
T
G
R
D
P
M
I
L
P
V
V
I
E
-
2
PsiBlast_PDB
82.51
42%
-96
- C1 -
3T3N
2
RNJ_THET2
A:
[15-562]
-----
Q
D
H
V
E
I
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
F
R
D
E
I
F
V
L
D
G
G
L
A
F
--------------------
P
E
E
--
G
-----
M
-
P
G
-------
V
D
L
L
I
P
R
----------
V
D
Y
L
------------
I
E
H
R
H
-
K
I
K
A
W
V
L
T
H
G
A
E
D
H
I
G
G
L
P
F
L
L
P
M
I
FG
K
E
--
S
-----
P
V
P
I
Y
G
A
R
L
T
L
G
L
L
R
G
K
L
E
E
F
G
L
---------
R
----------------
P
G
A
F
N
---------
L
K
E
----------
I
S
P
D
D
R
I
Q
V
G
R
-
Y
F
T
L
D
L
F
R
M
T
H
S
I
P
D
N
S
G
---
V
V
I
R
T
--
P
--
I
G
T
I
V
H
T
G
D
F
K
L
------
D
P
T
P
I
D
G
K
V
S
H
L
A
K
V
----
A
Q
A
G
A
E
G
V
L
L
L
I
A
D
A
T
N
A
E
R
P
G
Y
--------
T
P
--
S
E
M
-
E
I
A
K
E
L
D
R
V
I
-
G
R
---
A
---
P
G
R
V
F
V
T
T
F
A
S
H
I
H
R
I
Q
S
V
I
W
A
A
E
K
Y
G
-----
R
--------
K
-------
V
A
M
E
G
R
S
M
L
K
F
S
R
I
---
A
L
E
-
L
-
G
Y
L
K
V
------------------------
K
D
-------
R
L
Y
-------
T
---
L
-
E
---
E
V
K
D
-
L
-
P
D
H
Q
V
L
I
L
A
T
-
G
S
----
Q
G
Q
P
M
S
V
L
H
R
L
A
F
E
G
H
A
K
M
A
I
K
P
G
D
T
V
I
L
S
S
S
P
I
P
G
N
E
-
E
A
-
V
--
N
-----
R
------
V
-
I
N
-----
R
L
Y
-
A
L
G
----
A
Y
V
L
Y
P
-
P
--
T
Y
K
-
V
-
H
A
S
G
H
A
S
Q
E
E
L
K
L
I
L
N
L
T
T
--
P
R
F
F
L
P
W
H
G
E
V
R
H
Q
M
N
F
K
W
L
A
E
-
S
M
S
R
P
---
P
E
K
T
L
I
G
E
N
G
A
V
Y
R
L
T
R
E
T
F
E
K
V
G
E
V
P
H
G
V
L
Y
V
D
G
L
G
V
G
D
I
T
E
E
I
L
A
D
R
R
H
M
A
E
E
G
L
V
V
I
T
---------
A
L
A
G
E
D
P
V
V
E
V
V
S
R
G
F
V
K
A
G
E
--
R
L
L
G
E
V
R
R
M
A
L
E
A
L
K
N
G
V
R
E
K
K
P
L
E
--
R
I
R
D
D
I
Y
Y
P
V
K
K
F
L
K
K
A
T
G
R
D
P
M
I
L
P
V
V
I
E
-
25
PsiBlast_CBE
76.62
40%
-94
- C1 -
5A0T
4
?
B:
[21-452]
----------
V
T
P
L
G
G
L
G
E
I
G
R
N
M
T
V
F
E
Y
G
G
R
L
L
I
V
D
C
G
V
L
F
--------------------
P
E
E
--
E
-----
Q
-
P
G
-------
I
D
L
I
L
P
D
----------
F
T
S
I
------------
R
D
R
L
D
-
D
I
E
G
I
V
L
T
H
G
H
E
D
H
I
G
G
V
P
F
L
L
-----
R
E
K-
P
-----
D
I
P
L
I
G
S
K
L
T
L
A
L
I
E
A
K
L
Q
E
H
R
I
---------
R
----------------
P
Y
T
L
E
---------
V
A
E
----------
G
H
R
E
R
V
G
P
F
-----
D
C
E
F
V
A
V
N
H
S
I
P
D
A
L
A
---
V
A
I
R
T
--
P
--
A
G
M
V
V
H
T
G
D
F
K
M
------
D
Q
L
P
L
D
G
R
L
T
D
L
H
A
F
----
A
R
L
S
E
E
G
I
D
L
L
L
A
D
S
T
N
A
E
V
P
G
F
--------
V
P
--
P
E
R
-
D
I
S
N
V
L
R
Q
V
F
-
A
N
---
A
---
R
K
R
I
I
V
A
S
F
A
S
H
V
H
R
I
Q
Q
I
L
D
A
A
H
E
Y
G
-----
R
--------
R
-------
V
A
F
V
G
R
S
M
V
R
N
M
G
I
---
A
R
D
-
L
-
G
Y
L
K
V
--------------
P
---------
P
G
-------
L
V
V
-------
D
---
V
-
K
---
T
L
D
D
-
L
-
P
D
S
E
V
V
L
V
C
T
-
G
S
----
Q
G
E
P
M
A
A
L
S
R
M
A
N
R
D
H
-
Q
I
R
I
V
N
G
D
T
V
I
L
A
S
S
L
I
P
G
N
E
-
N
A
-
V
--
Y
-----
R
------
V
-
I
N
-----
G
L
T
-
R
W
G
----
A
N
V
V
H
K
-
G
--
N
A
K
-
V
-
H
V
S
G
H
A
S
A
G
E
L
L
Y
F
Y
N
I
C
R
--
P
K
N
L
M
P
V
H
G
E
W
R
H
L
R
A
N
A
E
L
G
A
-
L
T
G
V
P
---
H
D
R
I
V
I
A
E
D
G
V
V
V
D
L
V
E
G
K
A
K
I
T
G
K
V
Q
A
G
Y
V
Y
V
D
---------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
76.34
40%
-94
- C1 -
5A0V
4
?
B:
[21-452]
----------
V
T
P
L
G
G
L
G
E
I
G
R
N
M
T
V
F
E
Y
G
G
R
L
L
I
V
D
C
G
V
L
F
--------------------
P
E
E
--
E
-----
Q
-
P
G
-------
I
D
L
I
L
P
D
----------
F
T
S
I
------------
R
D
R
L
D
-
D
I
E
G
I
V
L
T
H
G
H
E
D
H
I
G
G
V
P
F
L
L
-----
R
E
K-
P
-----
D
I
P
L
I
G
S
K
L
T
L
A
L
I
E
A
K
L
Q
E
H
R
I
---------
R
----------------
P
Y
T
L
E
---------
V
A
E
----------
G
H
R
E
R
V
G
P
F
-----
D
C
E
F
V
A
V
N
H
S
I
P
D
A
L
A
---
V
A
I
R
T
--
P
--
A
G
M
V
V
H
T
G
D
F
K
M
------
D
Q
L
P
L
D
G
R
L
T
D
L
H
A
F
----
A
R
L
S
E
E
G
I
D
L
L
L
A
D
S
T
N
A
E
V
P
G
F
--------
V
P
--
P
E
R
-
D
I
S
N
V
L
R
Q
V
F
-
A
N
---
A
---
R
K
R
I
I
V
A
S
F
A
S
H
V
H
R
I
Q
Q
I
L
D
A
A
H
E
Y
G
-----
R
--------
R
-------
V
A
F
V
G
R
S
M
V
R
N
M
G
I
---
A
R
D
-
L
-
G
Y
L
K
V
--------------
P
---------
P
G
-------
L
V
V
-------
D
---
V
-
K
---
T
L
D
D
-
L
-
P
D
S
E
V
V
L
V
C
T
-
G
S
----
Q
G
E
P
M
A
A
L
S
R
M
A
N
R
D
H
-
Q
I
R
I
V
N
G
D
T
V
I
L
A
S
S
L
I
P
G
N
E
-
N
A
-
V
--
Y
-----
R
------
V
-
I
N
-----
G
L
T
-
R
W
G
----
A
N
V
V
H
K
-
G
--
N
A
K
-
V
-
H
V
S
G
H
A
S
A
G
E
L
L
Y
F
Y
N
I
C
R
--
P
K
N
L
M
P
V
H
G
E
W
R
H
L
R
A
N
A
E
L
G
A
-
L
T
G
V
P
---
H
D
R
I
V
I
A
E
D
G
V
V
V
D
L
V
E
G
K
A
K
I
T
G
K
V
Q
A
G
Y
V
Y
V
D
---------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
75.51
40%
-93
- C1 -
5A0T
4
?
A:
[21-455]
----------
V
T
P
L
G
G
L
G
E
I
G
R
N
M
T
V
F
E
Y
G
G
R
L
L
I
V
D
C
G
V
L
F
--------------------
P
E
E
--
E
-----
Q
-
P
G
-------
I
D
L
I
L
P
D
----------
F
T
S
I
------------
R
D
R
L
D
-
D
I
E
G
I
V
L
T
H
G
H
E
D
H
I
G
G
V
P
F
L
L
-----
R
E
K-
P
-----
D
I
P
L
I
G
S
K
L
T
L
A
L
I
E
A
K
L
Q
E
H
R
I
---------
R
----------------
P
Y
T
L
E
---------
V
A
E
----------
G
H
R
E
R
V
G
P
F
-----
D
C
E
F
V
A
V
N
H
S
I
P
D
A
L
A
---
V
A
I
R
T
--
P
--
A
G
M
V
V
H
T
G
D
F
K
M
------
D
Q
L
P
L
D
G
R
L
T
D
L
H
A
F
----
A
R
L
S
E
E
G
I
D
L
L
L
A
D
S
T
N
A
E
V
P
G
F
--------
V
P
--
P
E
R
-
D
I
S
N
V
L
R
Q
V
F
-
A
N
---
A
---
R
K
R
I
I
V
A
S
F
A
S
H
V
H
R
I
Q
Q
I
L
D
A
A
H
E
Y
G
-----
R
--------
R
-------
V
A
F
V
G
R
S
M
V
R
N
M
G
I
---
A
R
D
-
L
-
G
Y
L
K
V
--------------
P
---------
P
G
-------
L
V
V
-------
D
---
V
-
K
---
T
L
D
D
-
L
-
P
D
S
E
V
V
L
V
C
T
-
G
S
----
Q
G
E
P
M
A
A
L
S
R
M
A
N
R
D
H
-
Q
I
R
I
V
N
G
D
T
V
I
L
A
S
S
L
I
P
G
N
E
-
N
A
-
V
--
Y
-----
R
------
V
-
I
N
-----
G
L
T
-
R
W
G
----
A
N
V
V
H
K
-
G
--
N
A
K
-
V
-
H
V
S
G
H
A
S
A
G
E
L
L
Y
F
Y
N
I
C
R
--
P
K
N
L
M
P
V
H
G
E
W
R
H
L
R
A
N
A
E
L
G
A
-
L
T
G
V
P
---
H
D
R
I
V
I
A
E
D
G
V
V
V
D
L
V
E
G
K
A
K
I
T
G
K
V
Q
A
G
Y
V
Y
V
D
G
L
S
------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
75.31
40%
-92
- C1 -
5A0V
3
?
A:
[21-455]
----------
V
T
P
L
G
G
L
G
E
I
G
R
N
M
T
V
F
E
Y
G
G
R
L
L
I
V
D
C
G
V
L
F
--------------------
P
E
E
--
E
-----
Q
-
P
G
-------
I
D
L
I
L
P
D
----------
F
T
S
I
------------
R
D
R
L
D
-
D
I
E
G
I
V
L
T
H
G
H
E
D
H
I
G
G
V
P
F
L
L
-----
R
E
K-
P
-----
D
I
P
L
I
G
S
K
L
T
L
A
L
I
E
A
K
L
Q
E
H
R
I
---------
R
----------------
P
Y
T
L
E
---------
V
A
E
----------
G
H
R
E
R
V
G
P
F
-----
D
C
E
F
V
A
V
N
H
S
I
P
D
A
L
A
---
V
A
I
R
T
--
P
--
A
G
M
V
V
H
T
G
D
F
K
M
------
D
Q
L
P
L
D
G
R
L
T
D
L
H
A
F
----
A
R
L
S
E
E
G
I
D
L
L
L
A
D
S
T
N
A
E
V
P
G
F
--------
V
P
--
P
E
R
-
D
I
S
N
V
L
R
Q
V
F
-
A
N
---
A
---
R
K
R
I
I
V
A
S
F
A
S
H
V
H
R
I
Q
Q
I
L
D
A
A
H
E
Y
G
-----
R
--------
R
-------
V
A
F
V
G
R
S
M
V
R
N
M
G
I
---
A
R
D
-
L
-
G
Y
L
K
V
--------------
P
---------
P
G
-------
L
V
V
-------
D
---
V
-
K
---
T
L
D
D
-
L
-
P
D
S
E
V
V
L
V
C
T
-
G
S
----
Q
G
E
P
M
A
A
L
S
R
M
A
N
R
D
H
-
Q
I
R
I
V
N
G
D
T
V
I
L
A
S
S
L
I
P
G
N
E
-
N
A
-
V
--
Y
-----
R
------
V
-
I
N
-----
G
L
T
-
R
W
G
----
A
N
V
V
H
K
-
G
--
N
A
K
-
V
-
H
V
S
G
H
A
S
A
G
E
L
L
Y
F
Y
N
I
C
R
--
P
K
N
L
M
P
V
H
G
E
W
R
H
L
R
A
N
A
E
L
G
A
-
L
T
G
V
P
---
H
D
R
I
V
I
A
E
D
G
V
V
V
D
L
V
E
G
K
A
K
I
T
G
K
V
Q
A
G
Y
V
Y
V
D
G
L
S
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