@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 : SA1615: (2016-03-27 )
MDFWLYKQAQQNGHHIAITDGQESYTYQNLYCEASLLAKRLKAYQQSRVGLYIDNSIQSIILIHACWLANIEIAMINTRLTPNEMTNQMRSIDVQLIFCTLPLELRGFQIVSLDDIEFAGRDITTNGLLDNTMGIQYDTSNETVVPKESPSNILNTSFNLDDIASIMFTSGTTGPQKAVPQTFRNHYASAIGCKESLGFDRDTNWLSVLPIYHISGLSVLLRAVIEGFTVRIVDKFNAEQILTMIKNERITHISLVPQTLNWLMQQGLHEPYNLQKILLGGAKLSATMIETALQYNLPIYNSFGMTETCSQFLTATPEMLHARPDTVGMPSANVDVKIKNPNKEGHGELMIKGANVMNGYLYPTDLTGTFENGYFNTGDIAEIDHEGYVMIYDRRKDLIISGGENIYPYQIETVAKQFPGISDAVCVGHPDDTWGQVPKLYFVSESDISKAQLIAYLSKHLAKYKVPKHFEKVDTLPYTSTGKLQRNKLYRG
Atome Classification :
(21 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----------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------MDF
W
L
Y
K
Q
A
QQNG
H
H
I
A
I
-TD----G--QES
Y
T
Y
Q
N
L
Y
C
E
A
S
L
L
A
K
R
L
K
A
Y
---
Q
---
Q
---SR---
V
G
L
Y
IDNS
I
Q
S
I
I
L
I
H
A
C
WLAN
I
E
I
A
M
I
NTRL
T
P
N
E
M
T
N
Q
M
RS
I
D
V
Q
L
I
F
C
TLPLELRG
F
-
Q
-
I
V
---
S
LDDIE--FAGRDITTNG---LLDNTM
G
I
Q
YDTSNETVVPKE-----SPS-----NILNTSF
N
L
------
D
D
-
I
A
S
I
M
FTSGTTG------PQKA
V
P
Q
T
F
R
N
------
H
Y
A
S
AI-GC
K
-
E
----S---LGF--DR---DT
N
W
L
S
V
L
P
I
Y
HIS
G
L
S
--
V
-
L
L
R
A
V
IEG
F
T
V
R
I
-
V
D-K---F
N
A
E
Q
I
L
T
M
I
KNER
I
T
H
I
S
L
V
P
Q
T
L
N
W
L
M
Q
----QG---L-----HEPY---
N
L
Q
K
I
L
LGGA
K
--
L
S
A
T
M
I
E
T
-
A
L
Q-Y--N-LP-IYNSFG
M
T
E
T
C
--
S
Q
F
L
TA
T
P
E
---
M
--LHARPDTVG-----MPSA
N
-
V
D
V
K
I
------KN---PN------K-----EG------HG
E
L
M
I
K
G-ANVMN
G
Y
-L-YPTDLT-G-T-F-------ENG--------YFNTGDIAEIDHE
G
Y
V
M
I
Y
DRRK
D
L
I
ISGGENI
Y
P
Y
Q
I
E
T
V
A
K
QFPGISD
A
V
C
VGHPDDTWGQV
P
K
L
Y
F
VS-E--S--D-----I
S
K
A
Q
L
I
A
Y
L
S
-
K
H
-
L
-
A
K
YK-V
P
K
H
F
E
K
-VDTLPYTSTGKLQRNKLYRG----------------------------------------------------------------------------------
33
HHSearch
98.64
100%
-138
- C6 -
3IPL
-
MENE_STAAN
A:
[2-477]
------------
D
F
W
L
Y
K
Q
A
Q
Q
N
G
H
H
I
A
I
-
T
D
----
G
--
Q
E
S
Y
T
Y
Q
N
L
Y
C
E
A
S
L
L
A
K
R
L
K
A
Y
---
Q
---
Q
---
S
R
---
V
G
L
Y
I
D
N
S
I
Q
S
I
I
L
I
H
A
C
W
L
A
N
I
E
I
A
M
I
N
T
R
L
T
P
N
E
M
T
N
Q
M
R
S
I
D
V
Q
L
I
F
C
T
L
P
L
E
L
R
G
F
-
Q
-
I
V
---
S
L
D
D
-------------------------------------
E
-----
S
P
S
-----
N
I
L
N
T
S
F
N
L
------
D
D
-
I
A
S
I
M
F
T
S
G
T
T
G
------
P
Q
K
A
V
P
Q
T
F
R
N
------
H
Y
A
S
A
I
-
G
C
K
-
E
----
S
---
L
G
F
--
D
R
---
D
T
N
W
L
S
V
L
P
I
Y
H
I
S
G
L
S
--
V
-
L
L
R
A
V
I
E
G
F
T
V
R
I
-
V
D
-
K
---
F
N
A
E
Q
I
L
T
M
I
K
N
E
R
I
T
H
I
S
L
V
P
Q
T
L
N
W
L
M
Q
----
Q
G
---
L
-----
H
E
P
Y
---
N
L
Q
K
I
L
L
G
G
A
K
--
L
S
A
T
M
I
E
T
-
A
L
Q
-
Y
--
N
-
L
P
-
I
Y
N
S
F
G
M
T
E
T
C
--
S
Q
F
L
T
A
T
P
E
---
M
--
L
H
A
R
P
D
T
V
G
-----
M
P
S
A
N
-
V
D
V
K
I
------
K
N
---
P
N
------
K
-----
E
G
------
H
G
E
L
M
I
K
G
-
A
N
V
M
N
G
Y
-
L
-
Y
P
T
D
L
T
-
G
-
T
-
F
-------
E
N
G
--------
Y
F
N
T
G
D
I
A
E
I
D
H
E
G
Y
V
M
I
Y
D
R
R
K
D
L
I
I
S
G
G
E
N
I
Y
P
Y
Q
I
E
T
V
A
K
Q
F
P
G
I
S
D
A
V
C
V
G
H
P
D
D
T
W
G
Q
V
P
K
L
Y
F
V
S
-
E
--
S
--
D
-----
I
S
K
A
Q
L
I
A
Y
L
S
-
K
H
-
L
-
A
K
Y
K
-
V
P
K
H
F
E
K
-
V
D
T
L
P
-------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
98.59
99%
-138
- C6 -
3IPL
-
MENE_STAAN
A:
[1-477]
-----------
L
D
F
W
L
Y
K
Q
A
Q
Q
N
G
H
H
I
A
I
-
T
D
----
G
--
Q
E
S
Y
T
Y
Q
N
L
Y
C
E
A
S
L
L
A
K
R
L
K
A
Y
---
Q
---
Q
---
S
R
---
V
G
L
Y
I
D
N
S
I
Q
S
I
I
L
I
H
A
C
W
L
A
N
I
E
I
A
M
I
N
T
R
L
T
P
N
E
M
T
N
Q
M
R
S
I
D
V
Q
L
I
F
C
T
L
P
L
E
L
R
G
F
-
Q
-
I
V
---
S
L
D
D
-------------------------------------
E
-----
S
P
S
-----
N
I
L
N
T
S
F
N
L
------
D
D
-
I
A
S
I
M
F
T
S
G
T
T
G
------
P
Q
K
A
V
P
Q
T
F
R
N
------
H
Y
A
S
A
I
-
G
C
K
-
E
----
S
---
L
G
F
--
D
R
---
D
T
N
W
L
S
V
L
P
I
Y
H
I
S
G
L
S
--
V
-
L
L
R
A
V
I
E
G
F
T
V
R
I
-
V
D
-
K
---
F
N
A
E
Q
I
L
T
M
I
K
N
E
R
I
T
H
I
S
L
V
P
Q
T
L
N
W
L
M
Q
----
Q
G
---
L
-----
H
E
P
Y
---
N
L
Q
K
I
L
L
G
G
A
K
--
L
S
A
T
M
I
E
T
-
A
L
Q
-
Y
--
N
-
L
P
-
I
Y
N
S
F
G
M
T
E
T
C
--
S
Q
F
L
T
A
T
P
E
---
M
--
L
H
A
R
P
D
T
V
G
-----
M
P
S
A
N
-
V
D
V
K
I
------
K
N
---
P
N
------
K
-----
E
G
------
H
G
E
L
M
I
K
G
-
A
N
V
M
N
G
Y
-
L
-
Y
P
T
D
L
T
-
G
-
T
-
F
-------
E
N
G
--------
Y
F
N
T
G
D
I
A
E
I
D
H
E
G
Y
V
M
I
Y
D
R
R
K
D
L
I
I
S
G
G
E
N
I
Y
P
Y
Q
I
E
T
V
A
K
Q
F
P
G
I
S
D
A
V
C
V
G
H
P
D
D
T
W
G
Q
V
P
K
L
Y
F
V
S
-
E
--
S
--
D
-----
I
S
K
A
Q
L
I
A
Y
L
S
-
K
H
-
L
-
A
K
Y
K
-
V
P
K
H
F
E
K
-
V
D
T
L
P
-------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
77.44
32%
-107
- C6 -
5BUS
3
?
A:
[10-479]
--------------
W
L
M
Q
R
A
Q
L
T
P
E
R
I
A
L
-
I
Y
----
E
--
D
Q
T
V
T
F
A
E
L
F
A
A
S
K
R
M
A
E
Q
L
A
A
H
---
S
---
V
---
R
K
G
D
T
A
A
I
L
L
Q
N
R
A
E
M
V
Y
A
V
H
A
C
F
L
L
G
V
K
A
V
L
L
N
T
K
L
S
T
H
E
R
L
F
Q
L
E
D
S
G
S
G
F
L
L
T
D
S
S
F
E
K
K
E
Y
-
E
H
I
V
---
Q
T
I
D
V
D
------------------------------
E
L
M
K
E
A
-----
A
E
E
-----
I
E
I
E
A
Y
M
Q
M
------
D
A
-
T
A
T
L
M
Y
T
S
G
T
T
G
------
K
P
K
G
V
Q
Q
T
F
G
N
------
H
Y
F
S
A
V
-
S
S
A
-
L
----
N
---
L
G
I
--
T
E
---
Q
D
R
W
L
I
A
L
P
L
F
H
I
S
G
L
S
--
A
-
L
F
K
S
V
I
Y
G
M
T
V
V
L
-
H
Q
-
R
---
F
S
V
S
D
V
L
H
S
I
N
R
H
E
V
T
M
I
S
A
V
Q
T
M
L
A
S
L
L
E
----
E
T
---
N
-----
R
C
P
E
---
S
I
R
C
I
L
L
G
G
G
P
--
A
P
L
P
L
L
E
E
-
C
R
E
-
K
--
G
-
F
P
-
V
F
Q
S
Y
G
M
T
E
T
C
--
S
Q
I
V
T
L
S
P
E
---
F
--
S
M
E
K
L
G
S
A
G
-----
K
P
L
F
S
-
C
E
I
K
I
------
E
R
---
D
G
------
Q
-----
V
C
E
P
Y
E
--
H
G
E
I
M
V
K
G
-
P
N
V
M
K
S
Y
-
F
-
N
R
E
S
A
N
E
A
-
S
-
F
-------
Q
N
G
--------
W
L
K
T
G
D
L
G
Y
L
D
N
E
G
F
L
Y
V
L
D
R
R
S
D
L
I
I
S
G
G
E
N
I
Y
P
A
E
V
E
S
V
L
L
S
H
P
A
V
A
E
A
G
V
S
G
A
E
D
K
K
--
K
V
P
H
A
Y
L
V
L
-
H
--
K
--
P
-----
V
S
A
G
E
L
T
D
Y
C
K
-
E
R
-
L
-
A
K
Y
K
-
I
P
A
K
F
F
V
-
L
D
R
L
P
R
N
A
S
N
K
L
L
R
N
Q
L
-------------------------------------------------------------------------------------
22
PsiBlast_CBE
76.37
32%
-118
- C6 -
5BUQ
2
?
B:
[10-479]
--------------
W
L
M
Q
R
A
Q
L
T
P
E
R
I
A
L
-
I
Y
----
E
--
D
Q
T
V
T
F
A
E
L
F
A
A
S
K
R
M
A
E
Q
L
A
A
H
---
S
---
V
---
R
K
G
D
T
A
A
I
L
L
Q
N
R
A
E
M
V
Y
A
V
H
A
C
F
L
L
G
V
K
A
V
L
L
N
T
K
L
S
T
H
E
R
L
F
Q
L
E
D
S
G
S
G
F
L
L
T
D
S
S
F
E
K
K
E
Y
-
E
H
I
V
---
Q
T
I
D
V
D
------------------------------
E
L
M
K
E
A
-----
A
E
E
-----
I
E
I
E
A
Y
M
Q
M
------
D
A
-
T
A
T
L
M
Y
T
S
----------
K
P
K
G
V
Q
Q
T
F
G
N
------
H
Y
F
S
A
V
-
S
S
A
-
L
----
N
---
L
G
I
--
T
E
---
Q
D
R
W
L
I
A
L
P
L
F
H
I
S
G
L
S
--
A
-
L
F
K
S
V
I
Y
G
M
T
V
V
L
-
H
Q
-
R
---
F
S
V
S
D
V
L
H
S
I
N
R
H
E
V
T
M
I
S
A
V
Q
T
M
L
A
S
L
L
E
----
E
T
---
N
-----
R
C
P
E
---
S
I
R
C
I
L
L
G
G
G
P
--
A
P
L
P
L
L
E
E
-
C
R
E
-
K
--
G
-
F
P
-
V
F
Q
S
Y
G
M
T
E
T
C
--
S
Q
I
V
T
L
S
P
E
---
F
--
S
M
E
K
L
G
S
A
G
-----
K
P
L
F
S
-
C
E
I
K
I
------
E
R
---
D
G
------
Q
-----
V
C
E
PYE--
H
G
E
I
M
V
K
G
-
P
N
V
M
K
S
Y
-
F
-
N
R
E
S
A
N
E
A
-
S
-
F
-------
Q
N
G
--------
W
L
K
T
G
D
L
G
Y
L
D
N
E
G
F
L
Y
V
L
D
---
D
L
I
I
S
G
G
E
N
I
Y
P
A
E
V
E
S
V
L
L
S
H
P
A
V
A
E
A
G
V
S
G
A
E
D
K
----
V
P
H
A
Y
L
V
L
-
H
--
K
--
P
-----
V
S
A
G
E
L
T
D
Y
C
K
-
E
R
-
L
-
A
K
Y
K
-
I
P
A
K
F
F
V
-
L
D
R
L
P
R
N
A
S
N
K
L
L
R
N
Q
L
-------------------------------------------------------------------------------------
2
PsiBlast_PDB
75.01
32%
-105
- C6 -
5BUR
9
?
A:
[10-479]
--------------
W
L
M
Q
R
A
Q
L
T
P
E
R
I
A
L
-
I
Y
----
E
--
D
Q
T
V
T
F
A
E
L
F
A
A
S
K
R
M
A
E
Q
L
A
A
H
---
S
---
V
---
R
K
G
D
T
A
A
I
L
L
Q
N
R
A
E
M
V
Y
A
V
H
A
C
F
L
L
G
V
K
A
V
L
L
N
T
K
L
S
T
H
E
R
L
F
Q
L
E
D
S
G
S
G
F
L
L
T
D
S
S
F
E
K
K
E
Y
-
E
H
I
V
---
Q
T
I
D
V
D
------------------------------
E
L
M
K
E
A
-----
A
E
E
-----
I
E
I
E
A
Y
M
Q
M
------
D
A
-
T
A
T
L
M
Y
T
S
G
T
T
G
------
K
P
K
G
V
Q
Q
T
F
G
N
------
H
Y
F
S
A
V
-
S
S
A
-
L
----
N
---
L
G
I
--
T
E
---
Q
D
R
W
L
I
A
L
P
L
F
H
I
S
G
L
S
--
A
-
L
F
K
S
V
I
Y
G
M
T
V
V
L
-
H
Q
-
R
---
F
S
V
S
D
V
L
H
S
I
N
R
H
E
V
T
M
I
S
A
V
Q
T
M
L
A
S
L
L
E
----
E
T
---
N
-----
R
C
P
E
---
S
I
R
C
I
L
L
G
G
G
P
--
A
P
L
P
L
L
E
E
-
C
R
E
-
K
--
G
-
F
P
-
V
F
Q
S
Y
G
M
T
E
T
C
--
S
Q
I
V
T
L
S
P
E
---
F
--
S
M
E
K
L
G
S
A
G
-----
K
P
L
F
S
-
C
E
I
K
I
------
E
R
---
D
G
------
Q
-----
V
C
E
PY
E
--
H
G
E
I
M
V
K
G
-
P
N
V
M
K
S
Y
-
F
-
N
R
E
S
A
N
E
A
-
S
-
F
-------
Q
N
G
--------
W
L
K
T
G
D
L
G
Y
L
D
N
E
G
F
L
Y
V
L
D
R
R
S
D
L
I
I
S
G
G
E
N
I
Y
P
A
E
V
E
S
V
L
L
S
H
P
A
V
A
E
A
G
V
S
G
A
E
D
K
--
G
K
V
P
H
A
Y
L
V
L
-
H
--
K
--
P
-----
V
S
A
G
E
L
T
D
Y
C
K
-
E
R
-
L
-
A
K
Y
K
-
I
P
A
K
F
F
V
-
L
D
R
L
P
R
N
A
S
N
K
L
L
R
N
Q
L
-------------------------------------------------------------------------------------
36
HHSearch
74.23
27%
-99
* C6 *
3R44
2
FAC13_MYCTU
A:
[18-510]
-----------
I
G
W
M
L
R
Q
R
A
T
V
S
P
R
L
Q
A
Y
-
V
E
PS--
T
--
D
V
R
M
T
Y
A
Q
M
N
A
L
A
N
R
C
A
D
V
L
T
A
L
---
G
---
I
AKG
D
R
---
V
A
L
L
M
P
N
S
V
E
F
C
C
L
F
Y
G
A
A
K
L
G
A
V
A
V
P
I
N
T
R
L
A
A
P
E
V
S
F
I
L
S
D
S
G
S
K
V
V
I
Y
G
A
P
S
A
P
V
I
D
-
A
-
I
R
---
A
Q
A
D
P
P
GT
V
T
D
-
W
I
G
A
D
---------------
S
L
A
E
R
L
R
S
-------
A
A
A
-----
D
E
P
A
V
E
C
G
G
------
D
D
-
N
L
F
I
M
Y
T
S
---
G
------
H
P
K
G
V
V
H
T
H
E
S
------
V
H
S
A
A
S
-
S
W
A
-
S
----
T
---
I
D
V
--
R
Y
---
R
D
R
L
L
L
P
L
P
M
F
H
V
A
A
L
T
--
T
-
V
I
F
S
A
M
R
G
V
T
L
I
S
-
M
P
-
Q
---
F
D
A
T
K
V
W
S
L
I
V
E
E
R
V
C
I
G
G
A
V
P
A
I
L
N
F
M
R
Q
----
V
P
E
F
A
E
-----
L
D
A
P
---
D
F
R
Y
F
I
T
G
G
A
P
--
M
P
E
A
L
I
K
I
-
Y
A
A
-
K
--
N
-
I
E
-
V
V
Q
G
Y
A
L
T
E
S
C
--
G
G
G
T
L
L
L
S
E
---
D
--
A
L
R
K
A
G
S
A
G
-----
R
A
T
M
F
-
T
D
V
A
V
------
R
G
---
D
D
------
G
VIRE-
H
G
------
E
G
E
V
V
I
K
S
-
D
I
L
L
K
E
Y
-
W
-
N
R
P
E
A
T
-
R
D
A
-
F
-------
D
N
G
--------
W
F
R
T
G
D
I
G
E
I
D
D
E
G
Y
L
Y
I
K
D
R
L
K
D
M
I
I
S
G
G
E
N
V
Y
P
A
E
I
E
S
V
I
I
G
V
P
G
V
S
E
V
A
V
I
G
L
P
D
E
K
W
G
E
I
A
A
A
I
V
V
A
-
D
--
Q
N-
E
-----
V
S
E
Q
Q
I
V
E
Y
C
G
-
T
R
-
L
-
A
R
Y
K
-
L
P
K
K
V
I
F
-
A
E
A
I
P
R
N
P
T
G
K
I
L
K
T
V
L
R
E
Q
----------------------------------------------------------------------------------
4
PsiBlast_PDB
73.00
27%
-96
- C6 -
3R44
2
FAC13_MYCTU
A:
[45-507]
-------------------------------------------
T
Y
A
Q
M
N
A
L
A
N
R
C
A
D
V
L
T
A
L
GIA
K
---
G
---
D
R
---
V
A
L
L
M
P
N
S
V
E
F
C
C
L
F
Y
G
A
A
K
L
G
A
V
A
V
P
I
N
T
R
L
A
A
P
E
V
S
F
I
L
S
D
S
G
S
K
V
V
I
Y
G
A
P
--------------
S
A
P
V
I
D
--
A
I
R
A
Q
A
D
P
P
G
---
T
V
T
D
W
I
G
A
D
S
L
A
E
R
L
R
S
A
A
A
D
-----
E
P
A
---------
V
E
C
G
G
------
D
D
-
N
L
F
I
M
Y
T
S
---
G
------
H
P
K
G
V
V
H
T
H
E
S
------
V
H
S
A
A
S
-
S
W
A
-
S
----
T
---
I
D
V
--
R
Y
---
R
D
R
L
L
L
P
L
P
M
F
H
V
A
A
L
T
--
T
-
V
I
F
S
A
M
R
G
V
T
L
I
S
-
M
P
-
Q
---
F
D
A
T
K
V
W
S
L
I
V
E
E
R
V
C
I
G
G
A
V
P
A
I
L
N
F
M
R
Q
V
P
E
F
A
E
---
L
-----
D
A
P
----
D
F
R
Y
F
I
T
G
G
A
P
--
M
P
E
A
L
I
K
I
-
Y
A
A
-
K
--
N
-
I
E
-
V
V
Q
G
Y
A
L
T
E
S
C
--
G
G
G
T
L
L
L
S
E
---
D
--
A
L
R
K
A
G
S
A
G
-----
R
A
T
M
F
-
T
D
V
A
V
------
R
G
---
D
D
GVIR--
E
-----
H
G
------
E
G
E
V
V
I
K
S
-
D
I
L
L
K
E
Y
-
W
N
R
P
E
A
T
R
-
D
-
A
-
F
-------
D
N
G
--------
W
F
R
T
G
D
I
G
E
I
D
D
E
G
Y
L
Y
I
K
D
R
L
K
D
M
I
I
S
G
G
E
N
V
Y
P
A
E
I
E
S
V
I
I
G
V
P
G
V
S
E
V
A
V
I
G
L
P
D
E
K
W
G
E
I
A
A
A
I
V
V
A
D
Q
--
N
--
E
-----
V
S
E
Q
Q
I
V
E
Y
C
G
-
T
R
-
L
-
A
R
Y
K
-
L
P
K
K
V
I
F
-
A
E
A
I
P
R
N
P
T
G
K
I
L
K
T
V
L
-------------------------------------------------------------------------------------
5
PsiBlast_PDB
72.58
27%
-87
- C6 -
4FUQ
7
?
A:
[17-494]
------------------------
H
K
L
A
I
E
T
A
----
A
--
G
D
K
I
S
Y
A
E
L
V
A
R
A
G
R
V
A
N
V
L
V
A
R
---
G
LQV
G
---
D
R
---
V
A
A
Q
T
E
K
S
V
E
A
L
V
L
Y
L
A
T
V
R
A
G
G
V
Y
L
P
L
N
T
A
Y
T
L
H
E
L
D
Y
F
I
T
D
A
E
P
K
I
V
V
C
D
-
P
S
K
R
D
G
I
-
A
-
A
I
---
A
--------
A
K
V
G
A
T
V
E
T
---
L
G
P
D
G
R
G
S
L
T
D
A
A
A
G
A
S
-----------
E
-----
A
F
A
T
I
D
R
G
A
------
D
D
-
L
A
A
I
L
Y
T
S
--
T
G
------
R
S
K
G
A
M
L
S
H
D
N
------
L
A
S
N
S
L
-
T
L
V
-
D
----
Y
---
W
R
F
--
T
P
---
D
D
V
L
I
H
A
L
P
I
Y
H
T
H
G
L
F
--
V
-
A
S
N
V
T
L
F
A
R
G
S
M
I
F
L
P
-
K
---
F
D
P
D
K
I
L
D
L
--
M
A
R
A
T
V
L
M
G
V
P
T
F
Y
T
R
L
L
Q
----
S
P
RL-
T
-----
K
E
T
T
---
G
H
M
R
L
F
I
S
G
S
A
PL
L
A
D
T
H
R
E
W
-
S
A
K
-
T
--
G
-
H
A
-
V
L
E
R
Y
G
M
T
E
T
N
--
M
N
--
T
S
N
P
Y
---
D
--
G
D
R
V
P
G
A
V
G
-----
P
A
L
P
G
-
V
S
A
R
V
------
T
D
---
P
E
TGKELP
R
-----
G
D
------
I
G
M
I
E
V
K
G
-
P
N
V
F
K
G
Y
W
R
-
M
P
E
K
T
K
-
S
-
E
-
F
R------
D
D
G
--------
F
F
I
T
G
D
L
G
K
I
D
E
R
G
Y
V
H
I
L
G
R
G
K
D
L
V
I
T
G
G
F
N
V
Y
P
K
E
I
E
S
E
I
D
A
M
P
G
V
V
E
S
A
V
I
G
V
P
H
A
D
F
G
E
G
V
T
A
V
V
V
R
-
D
KG
A
--
T
-----
I
D
E
A
Q
V
L
H
G
L
D
-
G
Q
-
L
-
A
K
F
K
-
M
P
K
K
V
I
F
-
V
D
D
L
P
R
N
T
M
G
K
V
Q
K
N
V
L
-------------------------------------------------------------------------------------
39
HHSearch
72.38
23%
-86
- C6 -
1MDB
4
DHBE_BACSU
A:
[28-528]
------------
G
D
L
L
R
D
R
A
A
K
Y
G
D
R
I
A
I
-
T
C
----
G
--
N
T
H
W
S
Y
R
E
L
D
T
R
A
D
R
L
A
A
G
F
Q
K
L
---
G
---
I
QQK
D
R
---
V
V
V
Q
L
P
N
I
K
E
F
F
E
V
I
F
A
L
F
R
L
G
A
L
P
V
F
A
L
P
S
H
R
S
S
E
I
T
Y
F
C
E
F
A
E
A
A
A
Y
I
I
P
D
A
Y
S
G
F
D
Y
R
S
-
L
A
R
Q
V
Q
S
K
L
P
T
--
L
K
N
-
I
I
V
A
G
------
E
A
---
E
E
F
L
P
L
E
D
L
H
----------
T
E
-----
P
V
K
L
P
E
V
K
S
------
S
D
-
V
A
F
L
Q
L
S
G
G
S
T
G
------
L
S
K
L
I
P
R
T
H
D
D
------
Y
I
Y
S
L
K
-
R
S
V
-
E
----
V
---
C
W
L
--
D
H
---
S
T
V
Y
L
A
A
L
P
M
A
H
N
Y
P
L
S
SP
G
-
V
L
G
V
L
Y
A
G
G
R
V
V
L
-
S
P
-
S
---
P
S
P
D
D
A
F
P
L
I
E
R
E
K
V
T
I
T
A
L
V
P
P
L
A
M
V
W
M
D
----
A
A
S
S
R
R
-----
D
D
L
S
---
S
L
Q
V
L
Q
V
G
G
A
K
--
F
S
A
E
A
A
R
R
-
V
K
A
V
F
--
G
-
C
T
-
L
Q
Q
V
F
G
M
A
E
G
L
--
V
N
Y
T
R
L
D
D
----
P
--
E
E
I
I
V
N
T
Q
G
-----
K
P
M
S
P
Y
D
E
S
R
V
------
W
D
---
D
H
DRDVK-
P
-----
G
E
------
T
G
H
L
L
T
R
G
-
P
Y
T
I
R
G
Y
-
Y
-
K
A
E
E
H
N
-
A
A
S
-
F
T------
E
D
G
--------
F
Y
R
T
G
D
I
V
R
L
T
R
D
G
Y
I
V
V
E
G
R
A
K
D
Q
I
N
R
G
G
E
K
V
A
A
E
E
V
E
N
H
L
L
A
H
P
A
V
H
D
A
A
M
V
S
M
P
D
Q
F
L
G
E
R
S
C
V
F
I
I
P
-
R
--
D
E-
A
-----
P
K
A
A
E
L
K
A
F
L
R
-
E
R
G
L
-
A
A
Y
K
-
I
P
D
R
V
E
F
-
V
E
S
F
P
Q
T
G
V
G
K
V
S
K
K
A
L
R
E
A
----------------------------------------------------------------------------------
41
HHSearch
71.65
21%
-91
- C6 -
2V7B
1
?
A:
[26-528]
------------
A
A
Y
L
F
R
L
N
E
T
R
A
G
K
T
A
Y
-
I
D
----
D
--
T
G
S
T
T
Y
G
E
L
E
E
R
A
R
R
F
A
S
A
L
R
T
L
---
G
---
V
HPE
E
R
---
I
L
L
V
M
L
D
T
V
A
L
P
V
A
F
L
G
A
L
Y
A
G
V
V
P
V
V
A
N
T
L
L
T
P
A
D
Y
V
Y
M
L
T
H
S
H
A
R
A
V
I
A
S
G
A
L
V
Q
N
V
T
-
Q
-
A
L
---
E
S
A
-----
G
C
Q
-
L
I
V
S
Q
P
-----------
L
A
P
L
F
E
E
L
I
D
A
-------
A
A
P
-----
A
A
K
A
A
A
T
G
C
------
D
D
-
I
A
F
W
L
Y
S
-----------
K
P
K
G
T
V
H
T
H
A
N
------
L
Y
W
T
A
E
-
L
Y
A
K
P
----
I
---
L
G
I
--
A
E
---
N
D
V
V
F
S
A
A
K
L
F
F
A
Y
G
L
G
--
N
G
L
T
F
P
L
S
V
G
A
T
A
I
L
-
M
A
E
R
---
P
T
A
D
A
I
F
A
R
L
V
E
H
R
P
T
V
F
Y
G
V
P
T
L
Y
A
N
M
L
V
----
S
P
NLP
A
-----
R
A
D
V
---
A
I
R
I
C
T
S
A
G
E
A
--
L
P
R
E
I
G
E
R
-
F
T
A
H
F
--
G
-
C
E
-
I
L
D
G
I
G
S
T
E
M
L
--
H
I
F
L
S
N
R
A
G
-------
A
V
E
Y
G
T
T
G
-----
R
P
V
P
G
-
Y
E
I
E
L
------
R
D
---
E
A
GHAVP-
D
-----
G
E
------
V
G
D
L
Y
I
K
G
-
P
S
A
A
V
M
Y
-
W
-
N
N
R
E
K
S
-
R
A
T
-
F
-------
L
G
E
--------
W
I
R
S
G
D
K
Y
C
R
L
P
N
G
C
Y
V
Y
A
G
R
S
D
D
M
L
K
----
Y
V
S
P
V
E
V
E
M
V
L
V
Q
H
D
A
V
L
E
A
A
V
V
G
V
D
H
G
G
-
L
V
K
T
R
A
F
V
V
L
-
K
--
R
--
E
F
A
P
S
E
I
L
A
E
E
L
K
A
F
V
K
-
D
R
-
L
-
A
P
H
K
-
Y
P
R
D
I
V
F
-
V
D
D
L
P
K
T
A
T
G
K
I
Q
R
F
K
L
R
E
-----------------------------------------------------------------------------------
48
HHSearch
71.50
26%
-93
- C6 -
1T5H
1
?
X:
[4-501]
-----------
V
N
E
M
L
R
R
A
A
T
R
A
P
D
H
C
A
L
-
A
V
PA--
R
--
G
L
R
L
T
H
A
E
L
R
A
R
V
E
A
V
A
A
R
L
H
A
D
---
G
---
L
RPQ
Q
R
---
V
A
V
V
A
P
N
S
A
D
V
V
I
A
I
L
A
L
H
R
L
G
A
V
P
A
L
L
N
P
R
L
K
S
A
E
L
A
E
L
I
K
R
G
E
M
T
A
A
V
I
A
V
--
Q
V
A
-
D
-
A
-
I
F
---
Q
--
S
G
S
--
G
A
R
-
I
I
F
L
G
D
---
L
-
V
R
---------
D
G
E
P
Y
S
-------
Y
G
P
-----
P
I
E
D
P
Q
R
E
P
------
A
Q
-
P
A
F
I
F
Y
T
S
---
G
------
L
P
K
A
A
I
I
P
Q
R
A
------
A
E
S
R
V
L
-
F
M
S
-
T
----
Q
---
V
G
L
RH
G
R
---
H
N
V
V
L
G
L
M
P
L
Y
H
V
V
G
F
F
--
A
V
L
V
A
A
L
A
L
D
G
T
Y
V
V
-
V
E
-
E
---
F
R
P
V
D
A
L
Q
L
V
Q
Q
E
Q
V
T
S
L
F
A
T
P
T
H
L
D
A
L
A
A
----
A
A
---
A
HAGSS
L
K
L
D
---
S
L
R
H
V
T
F
A
G
A
T
--
M
P
D
A
V
L
E
T
-
V
H
Q
H
L
--
P
-
G
E
-
K
V
N
I
Y
G
T
T
E
A
M
--
N
S
L
Y
M
R
Q
P
K
----------
T
G
T
E
M
-----
A
P
G
F
F
-
S
E
V
R
I
------
V
R
IGG
G
V
DEIVA-
N
-----
G
E
------
E
G
E
L
I
V
A
A
S
D
S
A
F
V
G
Y
-
L
-
N
Q
P
Q
A
T
-
A
E
K
-
L
-------
Q
D
G
--------
W
Y
R
T
S
D
V
A
V
W
T
P
E
G
T
V
R
I
L
G
R
V
D
D
M
I
I
S
G
G
E
N
I
H
P
S
E
I
E
R
V
L
G
T
A
P
G
V
T
E
V
V
V
I
G
L
A
D
Q
R
W
G
Q
S
V
T
A
C
V
V
P
-
R
--
L
--
G
ET---
L
S
A
D
A
L
D
T
F
C
R
S
S
E
-
L
-
A
D
F
K
-
R
P
K
R
Y
F
I
-
L
D
Q
L
P
K
N
A
L
N
K
V
L
R
R
Q
L
V
Q
Q
----------------------------------------------------------------------------------
43
HHSearch
71.39
23%
-85
- C6 -
3NI2
4
?
A:
[25-531]
------------
H
S
Y
V
L
E
N
L
S
N
H
S
S
K
P
C
L
-
I
N
----
G
AN
G
D
V
Y
T
Y
A
D
V
E
L
T
A
R
R
V
A
S
G
L
N
K
I
---
G
---
I
QQG
D
V
---
I
M
L
F
L
P
S
S
P
E
F
V
L
A
F
L
G
A
S
H
R
G
A
I
I
T
A
A
N
P
F
S
T
P
A
E
L
A
K
H
A
K
A
S
R
A
K
L
L
I
T
Q
A
C
Y
Y
E
K
V
K
-
D
-
F
A
---
R
E
--
S
D
---
V
K
-
V
M
C
V
D
------
S
A
--
P
D
G
C
L
H
F
S
E
L
T
Q
A
-------
D
E
N
-----
E
A
P
Q
V
D
I
S
P
------
D
D
-
V
V
A
L
P
Y
S
S
G
T
T
G
------
L
P
K
G
V
M
L
T
H
K
G
------
L
I
T
S
V
A
-
Q
Q
V
-
D
GDNP
N
---
L
Y
F
--
H
S
---
E
D
V
I
L
C
V
L
P
M
F
H
I
Y
A
L
N
--
S
I
M
L
C
G
L
R
V
G
A
P
I
L
I
-
M
P
-
K
---
F
E
I
G
S
L
L
G
L
I
E
K
Y
K
V
S
I
A
P
V
V
P
P
V
M
M
S
I
A
K
----
S
P
DLD
K
-----
H
D
L
S
---
S
L
R
M
I
K
S
G
G
A
P
--
L
G
K
E
L
E
D
T
-
V
R
A
K
F
P-
Q
-
A
R
-
L
G
Q
G
Y
G
M
T
E
A
G
--
P
V
L
A
M
C
L
A
F
AKE
P
--
F
D
I
K
P
G
A
C
G
-----
T
V
V
R
N
-
A
E
M
K
I
------
V
D
---
P
E
TG
A
S
L
P
R
-----
N
Q
------
P
G
E
I
C
I
R
G
-
D
Q
I
M
K
G
Y
-
L
-
N
D
P
E
A
T
-
S
R
T
-
I
D------
K
E
G
--------
W
L
H
T
G
D
I
G
Y
I
D
D
D
D
E
L
F
I
V
D
R
L
K
E
L
I
K
Y
K
G
F
Q
V
A
P
A
E
L
E
A
L
L
I
A
H
P
E
I
S
D
A
A
V
V
G
L
K
D
E
D
A
G
E
V
P
V
A
F
V
V
K
-
S
--
E
KS
Q
-----
A
T
E
D
E
I
K
Q
Y
I
S
-
K
Q
-
V
-
I
F
Y
K
-
R
I
K
R
V
F
F
-
I
E
A
I
P
K
A
P
S
G
K
I
L
R
K
N
L
K
E
-----------------------------------------------------------------------------------
34
HHSearch
71.28
24%
-95
- C6 -
2VSQ
2
A:
[467-973]
------------
T
Y
W
F
K
E
A
V
N
A
N
P
D
A
P
A
L
-
T
Y
----
S
--
G
Q
T
L
S
Y
R
E
L
D
E
E
A
N
R
I
A
R
R
L
Q
K
H
---
G
---
A
GKG
S
V
---
V
A
L
Y
T
K
R
S
L
E
L
V
I
G
I
L
G
V
L
K
A
G
A
A
Y
L
P
V
D
P
K
L
P
E
D
R
I
S
Y
M
L
A
D
S
A
A
A
C
L
L
T
H
Q
E
M
K
E
Q
A
A
-
E
-
L
P
---
Y
T
-------
G
T
-
T
L
F
I
D
------
D
----------
Q
T
R
F
E
--------
E
Q
A
-----
S
D
P
A
T
A
I
D
P
------
N
D
-
P
A
Y
I
M
Y
T
S
G
T
T
G
------
K
P
K
G
N
I
T
T
H
A
N
------
I
Q
G
L
V
K
-
H
V
--
D
----
Y
---
M
A
F
--
S
D
---
Q
D
T
F
L
S
V
S
N
Y
A
F
D
A
F
T
F
--
D
-
F
Y
A
S
M
L
N
A
A
R
L
I
I
-
A
D
-
E
HTL
L
D
T
E
R
L
T
D
L
I
L
Q
E
N
V
N
V
M
F
A
T
T
A
L
F
N
L
L
T
D
----
A
G
---
E
-----
D
W
M
K
---
G
L
R
C
I
L
F
G
G
E
R
--
A
S
V
P
H
V
R
K
-
A
L
R
I
M
G-
P
-
G
K
-
L
I
N
C
Y
G
P
T
E
G
T
--
V
F
A
T
A
H
V
V
H
---
D
LP
D
S
I
S
S
L
P
I
G
-----
K
P
I
S
N
-
A
S
V
Y
I
------
L
N
---
E
Q
------
S
QLQPF
G
A
------
V
G
E
L
C
I
S
G
-
M
G
V
S
K
G
Y
-
V
-
N
R
A
D
L
T
-
K
E
K
-
F
IENPFKP
G
E
T
--------
L
Y
R
T
G
D
L
A
R
W
L
P
D
G
T
I
E
Y
A
G
R
I
D
D
Q
V
K
I
R
G
H
R
I
E
L
E
E
I
E
K
Q
L
Q
E
Y
P
G
V
K
D
A
V
V
V
A
D
R
H
E
S
G
D
A
S
I
N
A
Y
L
V
N
-
R
--
T
--
Q
-----
L
S
A
E
D
V
K
A
H
L
K
-
K
Q
-
L
-
P
A
Y
M
-
V
P
Q
T
F
T
F
-
L
D
E
L
P
L
T
T
N
G
K
V
N
K
R
L
L
P
K
-----------------------------------------------------------------------------------
13
PsiBlast_PDB
71.17
27%
-98
- C6 -
4G37
4
LUCI_PHOPY
A:
[45-540]
--------------------------
I
A
F
-
T
D
----
A
HI
E
V
N
I
T
Y
A
E
Y
F
E
M
S
V
R
L
A
E
A
M
K
R
Y
GLN
T
---
N
---
H
R
---
I
V
V
S
S
E
N
S
L
Q
F
F
M
P
V
L
G
A
L
F
I
G
V
A
V
A
P
A
N
D
C
Y
N
E
R
E
L
L
N
S
M
N
I
S
Q
P
T
V
V
F
V
S
K
----
K
G
L
-
Q
------
K
I
L
N
V
Q
--
K
K
L
P
I
I
Q
K
I
I
---
I
M
D
S
K
T
D
Y
Q
G
F
Q
S
M
Y
T
F
V
T
S
H
-----
L
P
P
GFNEY
D
F
V
P
E
S
F
D
R
------
D
K
T
I
A
L
I
M
N
S
S
----P
K
G
V
A
L
P
H
R
A
L
A
V
R
F
S
H
------
A
R
D
P
I
F
-
G
N
Q
------------
I
--
A
P
---
D
T
A
I
L
S
V
V
P
F
H
H
G
F
G
M
F
--
T
-
T
L
G
Y
L
I
S
G
F
R
V
V
L
-
M
Y
-
R
---
F
E
E
E
L
F
L
R
S
L
Q
D
Y
K
I
Q
S
A
L
L
V
P
T
L
F
S
F
L
A
K
----
S
T
---
L
-----
I
D
K
Y
DLS
N
L
H
E
I
A
S
G
G
A
P
--
L
S
K
E
V
G
E
A
V
A
K
R
-
F
--
H
-
L
P
G
I
R
Q
G
Y
G
L
T
E
T
T
--
S
A
I
L
I
-
T
P
K
---
G
---
D
D
K
P
G
A
V
G
-----
K
V
V
P
F
-
F
E
A
K
V
V
D
LDTG
K
T
---
L
G
------
V
-----
N
Q
------
R
G
E
L
S
V
R
G
-
P
M
I
M
S
G
Y
-
V
-
N
N
P
E
A
T
-
N
-
A
-
L
I
D-----
K
D
G
--------
W
L
H
S
G
D
I
A
Y
W
D
E
D
E
H
F
F
I
V
D
R
L
K
S
L
I
K
Y
K
G
C
Q
V
A
P
A
E
L
E
S
I
L
L
Q
H
P
N
I
F
D
A
G
V
A
G
L
P
D
D
D
A
G
E
L
P
A
A
V
V
V
L
-
E
HG
K
--
T
-----
M
T
E
K
E
I
V
D
Y
V
A
-
S
Q
-
V
T
T
A
K
K
-
L
R
G
G
V
V
F
-
V
D
E
V
P
K
G
L
--
K
L
D
A
R
K
I
-------------------------------------------------------------------------------------
31
HHSearch
71.11
24%
-85
- C6 -
2D1S
3
LUCI_LUCCR
A:
[26-540]
------------
G
T
Q
L
R
K
Y
M
E
R
Y
A
K
L
G
A
I
-
A
F
TNAV
T
--
G
V
D
Y
S
Y
A
E
Y
L
E
K
S
C
C
L
G
K
A
L
Q
N
Y
---
G
---
L
VV
D
G
R
---
I
A
L
C
S
E
N
C
E
E
F
F
I
P
V
I
A
G
L
F
I
G
V
G
V
A
P
T
N
E
I
Y
T
L
R
E
L
V
H
S
L
G
I
S
K
P
T
I
V
F
S
S
K
K
G
L
D
K
V
I
-
T
-
V
Q
---
K
T
-
V
T
T
--
I
K
T
-
I
V
I
L
D
S
---
K
---
V
D
Y
R
G
Y
Q
C
L
D
T
F
I
K
R
N
T
PPGFQ
A
S
S
-----
F
K
T
V
E
V
D
R
K
------
E
Q
-
V
A
L
I
M
N
S
S
G
S
T
G
------
L
P
K
G
V
Q
L
T
H
E
N
------
I
V
T
R
F
S
-
H
A
R
-
D
----
P
IYG
N
Q
V
--
S
P
---
G
T
A
V
L
T
V
V
P
F
H
H
G
F
G
M
F
--
T
-
T
L
G
Y
L
I
C
G
F
R
V
V
M
-
L
T
-
K
---
F
D
E
E
T
F
L
K
T
L
Q
D
Y
K
C
T
S
V
I
L
V
P
T
L
F
A
I
L
N
K
----
S
E
LLN
K
-----
Y
D
L
S
---
N
L
V
E
I
A
S
G
G
A
P
--
L
S
K
E
V
G
E
A
-
V
A
R
R
F
--
N
L
P
G
-
V
R
Q
G
Y
G
L
T
E
T
T
--
S
A
I
I
I
T
P
E
G
-------
D
D
K
P
G
A
S
G
-----
K
V
V
P
L
-
F
K
A
K
V
------
I
D
---
L
D
T
K
K
S
L
G
P
-----
N
R
------
R
G
E
V
C
V
K
G
-
P
M
L
M
K
G
Y
-
V
-
N
N
P
E
A
T
-
K
E
L
-
I
D------
E
E
G
--------
W
L
H
T
G
D
I
G
Y
Y
D
E
E
K
H
F
F
I
V
D
R
L
K
S
L
I
K
Y
K
G
Y
Q
V
P
P
A
E
L
E
S
V
L
L
Q
H
P
S
I
F
D
A
G
V
A
G
V
P
D
P
V
A
G
E
L
P
G
A
V
V
V
L
-
E
--
S
G
K
N
-----
M
T
E
K
E
V
M
D
Y
V
A
-
S
Q
-
V
-
S
N
A
K
R
L
R
G
G
V
R
F
-
V
D
E
V
P
K
G
L
T
G
K
I
D
G
R
A
I
R
E
I
----------------------------------------------------------------------------------
10
PsiBlast_PDB
70.83
27%
-97
- C6 -
1BA3
2
LUCI_PHOPY
A:
[40-535]
--------------------------
I
A
F
-
T
D
----
A
HI
E
V
N
I
T
Y
A
E
Y
F
E
M
S
V
R
L
A
E
A
M
K
R
Y
GLN
T
---
N
---
H
R
---
I
V
V
C
S
E
N
S
L
Q
F
F
M
P
V
L
G
A
L
F
I
G
V
A
V
A
P
A
N
D
I
Y
N
E
R
E
L
L
N
S
M
N
I
S
Q
P
T
V
V
F
V
S
K
----
K
G
L
-
Q
------
K
I
L
N
V
Q
--
K
K
L
P
I
I
Q
K
I
I
---
I
M
D
S
K
T
D
Y
Q
G
F
Q
S
M
Y
T
F
V
T
S
H
-----
L
P
P
GFNEY
D
F
V
P
E
S
F
D
R
------
D
K
T
I
A
L
I
M
N
S
S
--
T
G
------
L
P
K
G
V
A
L
P
H
R
T
------
A
C
V
R
F
S
-
H
A
R
-
D
----
P
---
I
F
G
--
N
Q
IIP
D
T
A
I
L
S
V
V
P
F
H
H
G
F
G
M
F
--
T
-
T
L
G
Y
L
I
C
G
F
R
V
V
L
-
M
Y
-
R
---
F
E
E
E
L
F
L
R
S
L
Q
D
Y
K
I
Q
S
A
L
L
V
P
T
L
F
S
F
F
A
K
----
S
T
---
L
-----
I
D
K
Y
DLS
N
L
H
E
I
A
S
G
G
A
P
--
L
S
K
E
V
G
E
A
V
A
K
R
-
F
--
H
-
L
P
G
I
R
Q
G
Y
G
L
T
E
T
T
--
S
A
I
L
I
-
T
P
E
---
G
---
D
D
K
P
G
A
V
G
-----
K
V
V
P
F
-
F
E
A
K
V
V
D
LDTG
K
T
---
L
G
------
V
-----
N
Q
------
R
G
E
L
C
V
R
G
-
P
M
I
M
S
G
Y
-
V
-
N
N
P
E
A
T
-
N
-
A
-
L
I
D-----
K
D
G
--------
W
L
H
S
G
D
I
A
Y
W
D
E
D
E
H
F
F
I
V
D
R
L
K
S
L
I
K
Y
K
G
Y
Q
V
A
P
A
E
L
E
S
I
L
L
Q
H
P
N
I
F
D
A
G
V
A
G
L
P
D
D
D
A
G
E
L
P
A
A
V
V
V
L
-
E
HG
K
--
T
-----
M
T
E
K
E
I
V
D
Y
V
A
-
S
Q
-
V
T
T
A
K
K
-
L
R
G
G
V
V
F
-
V
D
E
V
P
K
G
L
T
G
K
L
D
A
R
K
I
-------------------------------------------------------------------------------------
51
Fugue
70.66
22%
-83
- C6 -
4DG9
1
?
A:
[18-604]
NSLLDLYAHPT
V
V
A
R
F
S
E
M
A
A
L
H
P
H
R
E
A
I
-
R
D
----
R
--
F
G
S
V
D
Y
R
Q
L
L
D
S
A
E
Q
L
S
D
Y
L
L
E
H
---
Y
---
P
---
Q
P
G
V
C
L
G
V
Y
G
E
Y
S
R
E
S
I
T
C
L
L
A
I
L
L
S
G
H
H
Y
L
Y
I
D
L
K
Q
P
A
A
W
N
A
E
L
C
R
Q
V
D
C
R
L
I
L
D
C
S
T
T
P
T
P
A
N
-
G
-
L
P
---
C
V
P
V
R
H
--
L
P
A
------------------------------------
A
P
A
-----
S
V
A
R
P
C
F
A
A
------
D
Q
-
I
A
Y
I
N
F
S
S
G
T
T
G
------
R
P
K
A
I
A
C
T
H
A
G
------
I
T
R
L
C
L
-
G
-
Q
-
S
----
F
---
L
A
F
--
A
P
---
Q
M
R
F
L
V
N
S
P
L
S
F
D
A
A
T
L
--
E
-
I
W
G
A
L
L
N
G
G
C
C
V
L
-
N
D
-
L
GP-
L
D
P
G
V
L
R
Q
L
I
G
E
R
G
A
D
S
A
W
L
T
A
S
L
F
N
T
L
V
D
----
L
D
---
P
-----
D
C
L
G
---
G
L
R
Q
L
L
T
G
G
D
I
--
L
S
V
P
H
V
R
R
-
A
L
L
-
R
H
P
R
-
L
H
-
L
V
N
G
Y
G
P
T
E
N
T
TF
T
C
C
H
V
V
T
D
D
---
D
--
L
E
E
D
D
I
P
I
G
-----
K
A
I
A
G
-
T
A
V
L
L
------
L
D
---
E
H
------
G
-----
Q
E
IAEPD
R
A
G
E
I
V
A
F
G
-
A
G
L
A
Q
G
Y
-
R
-
N
D
A
A
R
T
-
R
-
A
S
F
-------
V
E
L
P
Y
RG
R
L
L
R
A
Y
R
T
G
D
R
A
R
Y
D
E
Q
G
R
L
R
F
I
G
R
G
D
G
Q
V
K
L
N
G
Y
R
L
D
L
P
A
L
E
Q
R
F
R
R
Q
P
G
I
L
D
C
A
L
L
V
R
E
R
N
G
V
K
Q
L
L
C
A
W
T
G
K
-
A
--
D
--
A
-----
S
P
-----
Q
A
L
L
-
R
Q
-
L
-
P
T
W
Q
-
R
P
H
A
C
V
R
-
V
E
A
L
P
L
T
A
H
G
K
L
D
R
A
A
L
L
R
R
L
ELDP
D
Q
R
G
C
A
Q
L
W
S
E
L
L
G
C
E
V
G
ADFFLCGGN
S
L
L
A
L
Q
L
V
A
L
C
Q
S
A
GAGANLGLADLQANSR
L
D
Q
F
S
R
L
L
R
S
H
GLAPERLLE
15
PsiBlast_PDB
70.65
27%
-94
- C6 -
2D1R
2
LUCI_LUCCR
A:
[53-532]
------------------------------------------
Y
S
Y
A
E
Y
L
E
K
S
C
C
L
G
K
A
L
Q
N
Y
---
G
LV
V
D
---
G
R
---
I
A
L
C
S
E
N
C
E
E
F
F
I
P
V
I
A
G
L
F
I
G
V
G
V
A
P
T
N
E
I
Y
T
L
R
E
L
V
H
S
L
G
I
S
K
P
T
I
V
F
S
S
K
K
--------------
G
L
D
K
V
I
--
T
V
Q
K
T
V
T
T
I
K
T
I
V
I
L
D
S
K
V
D
Y
R
G
Y
Q
C
L
D
T
F
I
K
R
N
-----
T
P
P
-----
G
F
Q
A
S
S
F
K
T
V
EVDRK
E
Q
-
V
A
L
I
M
N
S
S
G
S
T
G
------
L
P
K
G
V
Q
L
T
H
E
N
I
V
T
R
F
S
H
A
R
D
P
I
Y
G
N
Q
-
V
----
S
---
P
G
---------
T
A
V
L
T
V
V
P
F
H
H
G
F
G
M
F
--
T
-
T
L
G
Y
L
I
C
G
F
R
V
V
M
-
L
T
-
K
---
F
D
E
E
T
F
L
K
T
L
Q
D
Y
K
C
T
S
V
I
L
V
P
T
L
F
A
I
L
N
K
----
S
E
---
L
-----
L
N
K
Y
DLS
N
L
V
E
I
A
S
G
G
A
P
--
L
S
K
E
V
G
E
A
V
A
R
R
-
F
--
N
-
L
P
G
V
R
Q
G
Y
G
L
T
E
T
T
--
S
A
I
I
I
-
T
P
E
---
G
---
D
D
K
P
G
A
S
G
KVV
P
L
F
K
A
K
V
-
I
D
L
D
T
------
K
K
S
L
G
P
N
------
R
-------------
R
G
E
V
C
V
K
G
-
P
M
L
M
K
G
Y
-
V
-
N
N
P
E
A
T
-
K
-
E
-
L
ID-----
E
E
G
--------
W
L
H
T
G
D
I
G
Y
Y
D
E
E
K
H
F
F
I
V
D
R
L
K
S
L
I
K
Y
K
G
Y
Q
V
P
P
A
E
L
E
S
V
L
L
Q
H
P
S
I
F
D
A
G
V
A
G
V
P
D
P
V
A
G
E
L
P
G
A
V
V
V
L
-
E
--
S
G
K
N
-----
M
T
E
K
E
V
M
D
Y
V
A
-
S
Q
-
V
-
S
N
A
K
-
R
L
R
G
G
V
R
F
V
D
E
V
P
K
G
L
T
G
K
I
------------------------------------------------------------------------------------------
16
PsiBlast_PDB
70.36
27%
-93
- C6 -
2D1S
3
LUCI_LUCCR
A:
[53-532]
------------------------------------------
Y
S
Y
A
E
Y
L
E
K
S
C
C
L
G
K
A
L
Q
N
Y
---
G
LVV
D
---
G
R
---
I
A
L
C
S
E
N
C
E
E
F
F
I
P
V
I
A
G
L
F
I
G
V
G
V
A
P
T
N
E
I
Y
T
L
R
E
L
V
H
S
L
G
I
S
K
P
T
I
V
F
S
S
K
K
--------------
G
L
D
K
V
I
--
T
V
Q
K
T
V
T
T
I
K
T
I
V
I
L
D
S
K
V
D
Y
R
G
Y
Q
C
L
D
T
F
I
K
R
N
-----
T
P
P
-----
G
F
Q
A
S
S
F
K
T
V
E
VDRK
E
Q
-
V
A
L
I
M
N
S
S
G
S
T
G
------
L
P
K
G
V
Q
L
T
H
E
N
I
V
T
R
F
S
H
A
R
D
P
I
Y
G
N
Q
-
V
----
S
---
P
G
---------
T
A
V
L
T
V
V
P
F
H
H
G
F
G
M
F
--
T
-
T
L
G
Y
L
I
C
G
F
R
V
V
M
-
L
T
-
K
---
F
D
E
E
T
F
L
K
T
L
Q
D
Y
K
C
T
S
V
I
L
V
P
T
L
F
A
I
L
N
K
----
S
E
---
L
-----
L
N
K
Y
DLS
N
L
V
E
I
A
S
G
G
A
P
--
L
S
K
E
V
G
E
A
V
A
R
R
-
F
--
N
-
L
P
G
V
R
Q
G
Y
G
L
T
E
T
T
--
S
A
I
I
I
-
T
P
E
---
G
---
D
D
K
P
G
A
S
G
KVVP
L
F
K
A
K
V
-
I
D
L
D
T
------
K
K
S
L
G
P
N
------
R
-------------
R
G
E
V
C
V
K
G
-
P
M
L
M
K
G
Y
-
V
-
N
N
P
E
A
T
-
K
-
E
-
L
ID-----
E
E
G
--------
W
L
H
T
G
D
I
G
Y
Y
D
E
E
K
H
F
F
I
V
D
R
L
K
S
L
I
K
Y
K
G
Y
Q
V
P
P
A
E
L
E
S
V
L
L
Q
H
P
S
I
F
D
A
G
V
A
G
V
P
D
P
V
A
G
E
L
P
G
A
V
V
V
L
-
E
--
S
G
K
N
-----
M
T
E
K
E
V
M
D
Y
V
A
-
S
Q
-
V
-
S
N
A
K
-
R
L
R
G
G
V
R
F
V
D
E
V
P
K
G
L
T
G
K
I
------------------------------------------------------------------------------------------
17
PsiBlast_PDB
70.00
27%
-92
- C6 -
2D1T
3
LUCI_LUCCR
A:
[53-532]
------------------------------------------
Y
S
Y
A
E
Y
L
E
K
S
C
C
L
G
K
A
L
Q
N
Y
---
G
LVV
D
---
G
R
---
I
A
L
C
S
E
N
C
E
E
F
F
I
P
V
I
A
G
L
F
I
G
V
G
V
A
P
T
N
E
I
Y
T
L
R
E
L
V
H
S
L
G
I
S
K
P
T
I
V
F
S
S
K
K
--------------
G
L
D
K
V
I
--
T
V
Q
K
T
V
T
T
I
K
T
I
V
I
L
D
S
K
V
D
Y
R
G
Y
Q
C
L
D
T
F
I
K
R
N
-----
T
P
P
-----
G
Y
Q
A
S
S
F
K
T
V
E
VDRK
E
Q
-
V
A
L
I
M
N
S
S
G
S
T
G
------
L
P
K
G
V
Q
L
T
H
E
N
I
V
T
R
F
S
H
A
R
D
P
I
Y
G
N
Q
-
V
----
S
---
P
G
---------
T
A
V
L
T
V
V
P
F
H
H
G
F
G
M
F
--
T
-
T
L
G
Y
L
I
C
G
F
R
V
V
M
-
L
T
-
K
---
F
D
E
E
T
F
L
K
T
L
Q
D
Y
K
C
T
N
V
I
L
V
P
T
L
F
A
I
L
N
K
----
S
E
---
L
-----
L
N
K
Y
DLS
N
L
V
E
I
A
S
G
G
A
P
--
L
S
K
E
V
G
E
A
V
A
R
R
-
F
--
N
-
L
P
G
V
R
Q
G
Y
G
L
T
E
T
T
--
S
A
I
I
I
-
T
P
E
---
G
---
D
D
K
P
G
A
S
G
KVVP
L
F
K
A
K
V
-
I
D
L
D
T
------
K
K
S
L
G
P
N
------
R
-------------
R
G
E
V
C
V
K
G
-
P
M
L
M
K
G
Y
-
V
-
N
N
P
E
A
T
-
K
-
E
-
L
ID-----
E
E
G
--------
W
L
H
T
G
D
I
G
Y
Y
D
E
E
K
H
F
F
I
V
D
R
L
K
S
L
I
K
Y
K
G
Y
Q
V
P
P
A
E
L
E
S
V
L
L
Q
H
P
S
I
F
D
A
G
V
A
G
V
P
D
P
V
A
G
E
L
P
G
A
V
V
V
L
-
E
--
S
G
K
N
-----
M
T
E
K
E
V
M
D
Y
V
A
-
S
Q
-
V
-
S
N
A
K
-
R
L
R
G
G
V
R
F
V
D
E
V
P
K
G
L
T
G
K
I
------------------------------------------------------------------------------------------
21
PsiBlast_CBE
68.51
32%
-114
- C6 -
5BUS
4
?
B:
[10-388]
--------------
W
L
M
Q
R
A
Q
L
T
P
E
R
I
A
L
-
I
Y
----
E
--
D
Q
T
V
T
F
A
E
L
F
A
A
S
K
R
M
A
E
Q
L
A
A
H
---
S
---
V
---
R
K
G
D
T
A
A
I
L
L
Q
N
R
A
E
M
V
Y
A
V
H
A
C
F
L
L
G
V
K
A
V
L
L
N
T
K
L
S
T
H
E
R
L
F
Q
L
E
D
S
G
S
G
F
L
L
T
D
S
S
F
E
K
K
E
Y
-
E
H
I
V
---
Q
T
I
D
V
D
------------------------------
E
L
M
K
E
A
-----
A
E
E
-----
I
E
I
E
A
Y
M
Q
M
------
D
A
-
T
A
T
L
M
Y
T
S
G
T
T
G
------
K
P
K
G
V
Q
Q
T
F
G
N
------
H
Y
F
S
A
V
-
S
S
A
-
L
----
N
---
L
G
I
--
T
E
---
Q
D
R
W
L
I
A
L
P
L
F
H
I
S
G
L
S
--
A
-
L
F
K
S
V
I
Y
G
M
T
V
V
L
-
H
Q
-
R
---
F
S
V
S
D
V
L
H
S
I
N
R
H
E
V
T
M
I
S
A
V
Q
T
M
L
A
S
L
L
E
----
E
T
----------
C
P
E
---
S
I
R
C
I
L
L
G
G
G
P
---
P
L
P
L
L
E
E
-
C
R
E
-
K
--
G
-
F
P
-
V
F
Q
S
Y
G
M
T
E
T
C
--
S
Q
I
V
T
L
S
P
E
---
F
--
S
M
E
K
L
G
S
A
G
-----
K
P
L
F
S
-
C
E
I
K
I
------
E
R
---
D
G
------
Q
-----
V
C
E
P
YE--
H
G
E
I
M
V
K
G
-
P
N
V
M
K
S
Y
-
F
-
N
R
E
S
A
N
E
A
-
S
-
F
-------
Q
N
G
--------
W
L
K
T
G
D
L
G
Y
L
D
N
E
G
F
L
Y
V
L
D
R
R
S
D
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------