@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 : gbs1508: (2015-12-08 )
MKKRASGVLMHITSLPGDLGIGTFGREAYAFVDFLVETDQKFWQILPLTTTSFGDSPYQSFSAVAGNTHLIDFDLLTLEGFISKDDYQNISFGQDPEVVDYAGLFEKRRPVLEKAVKNFLQEERATRMLSDFLQEEKWVTDFAEFMAIKEHFGNKALQEWDDKAIIRREEEALAGYRQKLSEVIKYHEVTQYFFYKQWFELKEYANDKGIQIIGDMPIYVSADSVEVWTMPELFKLDRDKQPLAIAGVPADDFSDDGQLWGNPIYNWDYHKESDFDWWIYRIQSGVKMYDYLRIDHFKGFSDYWEIRGDYQTANDGSWQPAPGPELFATIKEKLGDLPIIAENLGYIDERAERLLAGTGFPGMKIMEFGFYDTTGNSIDIPHNYTENTIAYAGTHDNEVINGWFENLTVEQKAYAENYMRRLPNEPITETVLRTLYATVSQTTITCMQDLLDKPADSRMNMPNTVGGNWQWRMRKEDLTENRKAFLKEITTIYNRGNK
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......-----------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------------------------------------------------------------------------------------------------------------------------------MK-KRAS
G
V
L
M
H
I
T-SLPGDLGIGTF-------------G
R
E
A
Y
A
F
V
D
F
L
V
ET
D
-------
Q
K
F
W
Q
I
L
----
P
L
T
T----T----S----F--GDS
P
--
Y
Q
S
F
S
A----------VAGN
T
H
L
I
D
F
D
-----
L
----
L
T
L
E
G
FIS---KDDYQNIS----FGQDPE
V
V
D
Y
A
G
L
F
E
K
R
R
P
------
V
L
E
K
--
A
V
K
N
F
L
Q
----
E
E
-
R
--
A
T
R
---
M
--
L
S
D
F
L
Q
--
E
------
E
------
K
----
W
-
V
T
D
F
----
A
E
F
M
A
--
I
K
E
HFG
N
K
A
L
Q
E------------------WD
D
K
A
I
I
R
R
E
E
E
A
L
A
---------------
G
Y
R
Q
K
L
S
E
V
I
K
---
Y
H
E
V
T
Q
Y
F
F
-
Y
K
--
Q
W
F
-
E
L
K
E
YAN--------DKG
I
Q
I
--IGD---M
P
I
-
Y
V
S--------------------AD
S
V
E
V
WT
M
P
E
L
F
K
LDRDKQ
P
L
A
I
A--------GVPADDFSDDGQLW-------GNPIYNWDYHKESDF
D
W
W
I
Y
---
R
I
QSG-----V
K
M
Y
D
Y
L
R
I
D
----------HFKGF
S
D
Y
W
E
------
I
RG
D
Y
QTANDGSWQPA-P
G
-----
P
E
L
F
A
--
T
I
K
E
KLG-DLP
I
I
A
E
N
L-----
G
Y
I
D
E
R
A
E
R
L
LAG------TGFPG
M
-
K
I
M
E
F
-----GFYDTTGN-----
S
I
DIPHNYT--EN--
T
I
A
Y
A-GTHD
N
------
E
V
I
N
G
W
F
E
--------------------NL
T
V
-
E
Q
K
A
Y
A
E
N
----
Y
M
-
R
------R-----L-----PN--------------E-
P
I
T
E
T
V
L
R
T
L
Y
A
T
-
V
--
S
Q
T
T
I
----------------------------
T
C
M
--
Q
D
L
LDK---------P
A
D
SRMNMPNTVGGN
W
Q
W
R
M
R
K
--
E
DL-
T
E
--
N
--
R
K
-
A
---
F
L
-
K
E
I
T
T
I
YNRGNK-----------------------------------
1
PsiBlast_PDB
97.02
43%
-83
* C4 *
1TZ7
1
MALQ_AQUAE
A:
[22-503]
---------------------------------------------------------------------------------------------------------------------------------------
R
L
A
G
I
L
L
H
V
T
-
S
L
P
S
P
Y
G
I
G
D
L
-------------
G
K
E
A
Y
R
F
L
D
F
L
K
E
C
G
-------
F
S
L
W
Q
V
L
----
P
L
N
P
----
T
----
S
----
L
EA
G
N
S
P
--
Y
S
S
N
S
L
----------
F
A
G
N
Y
V
L
I
D
P
E
-----
E
----
L
L
E
E
D
L
I
K
---
E
R
D
L
K
R
F
P
----
L
G
E
----
A
L
Y
E
V
V
Y
E
Y
K
K
E
------
L
L
E
K
--
A
F
K
N
F
---------
R
--
R
F
E
---
L
--
L
E
D
F
L
K
--
E
------
H
------
S
Y---
W
-
L
R
D
Y
----
A
L
Y
M
A
--
I
K
E
E
E
G
-
K
E
W
Y
E
------------------
W
D
E
E
-
L
K
R
R
E
K
E
A
L
K
---------------
R
V
L
N
K
L
K
G
R
F
Y
---
F
H
V
F
V
Q
F
V
F
-
F
K
--
Q
W
E
-
K
L
R
R
Y
A
R
--------
E
R
G
I
S
I
--
V
G
D
---
L
P
M
-
Y
P
S
--------------------
Y
S
S
A
D
V
W
T
N
P
E
L
F
K
L
D
G
D
L
K
P
L
F
V
A
--------
G
V
P
P
D
F
F
S
K
T
G
Q
L
W
-------
G
N
P
V
Y
N
W
E
E
H
E
K
E
G
F
R
W
W
I
R
---
R
V
L
H
N
-----
L
K
L
F
D
F
L
R
L
D
----------
H
F
R
G
F
E
A
Y
W
E
------
V
P
Y
G
E
E
T
A
V
N
G
R
W
V
K
A
-
P
G
-----
K
T
L
F
K
--
K
L
L
S
Y
F
P
-
K
N
P
F
I
A
E
D
L
-----
G
F
I
T
D
E
V
R
Y
L
R
E
T
------
F
K
I
P
G
S
-
R
V
I
E
F
-----
A
F
Y
D
K
--
E
-----
S
E
H
L
P
H
N
V
E
--
E
N
--
N
V
Y
Y
T
-
S
T
H
D
L
------
P
P
I
R
G
W
F
E
--------------------
N
L
G
E
-
E
S
R
K
R
L
F
E
----
Y
L
G
R
------
E
-----
I
-----
K
E
--------------
E
-
K
V
N
E
E
L
I
R
L
V
L
I
S
-
R
--
A
K
F
A
I
----------------------------
I
Q
M
--
Q
D
L
L
N
L
---------
G
N
E
A
R
M
N
Y
P
G
R
P
F
G
N
W
R
W
R
I
-
K
--
E
D
Y
-
T
Q
-----
K
K
-
E
---
F
I
-
K
K
L
L
G
I
Y
G
R
E
V
------------------------------------
23
HHSearch
96.19
44%
-77
- C4 -
1TZ7
1
MALQ_AQUAE
A:
[20-504]
------------------------------------------------------------------------------------------------------------------------------------
H
-
M
R
L
A
G
I
L
L
H
V
T
-
S
L
P
S
P
Y
G
I
G
D
L
-------------
G
K
E
A
Y
R
F
L
D
F
L
K
E
C
G
-------
F
S
L
W
Q
V
L
----
P
L
N
P
----
T
----
S
LE--
A
--
G
N
S
P
--
Y
S
S
N
S
L
----------
F
A
G
N
Y
V
L
I
D
P
E
-----
E
----
L
L
E
E
D
L
I
K
---
E
R
D
L
K
R
-------
F
-
P
L
G
E
A
L
Y
E
V
V
Y
E
Y
K
K
E
------
L
L
E
K
--
A
F
K
N
F
R
R
-----------
F
E
---
L
--
L
E
D
F
L
K
--
E
H
-----
S
------
Y
----
W
-
L
R
D
Y
----
A
L
Y
M
A
--
I
K
E
E
E
G
-
K
E
W
Y
E
------------------
W
D
E
-
E
L
K
R
R
E
K
E
A
L
K
---------------
R
V
L
N
K
L
K
G
R
F
Y
---
F
H
V
F
V
Q
F
V
F
-
F
K
--
Q
W
E
-
K
L
R
R
Y
A
R
--------
E
R
G
I
S
I
--
V
G
D
---
L
P
M
-
Y
P
S
--------------------
Y
S
S
A
D
V
W
T
N
P
E
L
F
K
L
D
G
D
L
K
P
L
F
V
A
--------
G
V
P
P
D
F
F
S
K
T
G
Q
L
W
-------
G
N
P
V
Y
N
W
E
E
H
E
K
E
G
F
R
W
W
I
R
---
R
V
L
H
N
-----
L
K
L
F
D
F
L
R
L
D
----------
H
F
R
G
F
E
A
Y
W
E
------
V
P
Y
G
E
E
T
A
V
N
G
R
W
V
K
A
-
P
G
-----
K
T
L
F
K
--
K
L
L
S
Y
F
P
-
K
N
P
F
I
A
E
D
L
-----
G
F
I
T
D
E
V
R
Y
L
R
E
T
------
F
K
I
P
G
S
-
R
V
I
E
F
-----
A
F
Y
D
K
--
E
-----
S
E
H
L
P
H
N
V
E
--
E
N
--
N
V
Y
Y
T
-
S
T
H
D
L
------
P
P
I
R
G
W
F
E
--------------------
N
L
G
E
-
E
S
R
K
R
L
F
E
----
Y
L
-
G
------
R
-----
E
I
----
K
E
--------------
E
-
K
V
N
E
E
L
I
R
L
V
L
I
S
-
R
--
A
K
F
A
I
----------------------------
I
Q
M
--
Q
D
L
L
N
L
---------
G
N
E
A
R
M
N
Y
P
G
R
P
F
G
N
W
R
W
R
I
K
E
--
D
Y
T
-
Q
K
------
K
-
E
---
F
I
-
K
K
L
L
G
I
Y
G
R
E
V
------------------------------------
4
PsiBlast_PDB
95.19
40%
-77
- C4 -
2X1I
4
?
A:
[6-499]
----------------------------------------------------------------------------------------------------------------------------------------
A
Y
G
L
L
L
H
P
T
-
S
L
P
G
P
W
G
V
G
V
L
-------------
G
E
E
A
R
G
F
L
R
F
L
K
E
A
G
-------
A
R
Y
W
Q
V
L
----
P
L
G
P
----
T
----
G
----
Y
--
G
D
S
P
--
Y
Q
S
F
S
A
----------
F
A
G
N
P
Y
L
I
D
L
R
-----
P
----
L
V
D
R
G
F
V
R
---
L
E
D
P
---------
G
F
P
E
G
R
V
D
Y
G
L
L
Y
A
W
K
W
P
------
A
L
R
A
--
A
F
Q
G
F
R
Q
----
K
A
-
S
--
P
E
E
---
K
E
D
F
A
R
F
Q
E
--
E
------
E
------
A
----
W
W
L
R
D
Y
----
A
L
F
M
T
--
L
K
S
H
H
G
G
L
P
W
N
A
------------------
W
P
-
L
A
L
R
T
R
E
E
R
A
L
K
---------------
E
A
E
A
S
L
A
E
E
I
A
---
F
H
A
F
T
Q
W
L
F
-
F
R
--
Q
W
G
-
A
L
K
E
E
A
E
--------
A
L
G
I
A
F
--
I
G
D
---
M
P
I
-
F
V
A
--------------------
E
D
S
A
E
V
W
A
H
P
E
W
F
H
L
D
E
E
G
R
P
T
V
V
A
--------
G
V
P
P
D
Y
F
S
E
T
G
Q
R
W
-------
G
N
P
L
Y
R
W
E
V
L
E
E
E
G
F
S
F
W
I
A
---
R
L
R
K
A
-----
L
E
L
F
H
L
V
R
I
D
----------
H
F
R
G
F
E
A
Y
W
E
------
I
P
A
S
C
P
T
A
V
E
G
R
W
V
K
A
-
P
G
-----
E
K
L
F
A
--
R
I
Q
E
A
F
G
-
R
I
P
I
L
A
E
D
L
-----
G
V
I
T
P
E
V
E
A
L
R
D
R
------
F
G
L
P
G
M
-
K
V
L
Q
F
-----
A
F
D
N
G
M
E
N
-----
P
F
-
L
P
H
N
Y
P
--
E
H
GR
V
V
V
Y
T
-
G
T
H
D
N
------
D
T
T
L
G
W
Y
R
--------------------
T
A
T
P
-
H
E
R
D
F
L
K
R
----
Y
L
-
A
D
W
G
I
T
F
R
-----
E
-----
E
A
--------------
E
--
V
P
W
A
L
M
R
L
G
M
A
S
-
R
--
A
R
L
A
V
----------------------------
Y
P
V
--
Q
D
V
L
A
L
---------
G
S
E
A
R
M
N
Y
P
G
R
P
S
G
N
W
A
W
R
L
R
P
--
G
E
I
-
K
E
--
E
--
H
G
-
E
---
R
L
-
L
S
L
A
E
A
T
G
R
V
-------------------------------------
41
Fugue
94.86
40%
-73
- C4 -
1CWY
-
MALQ_THETH
A:
[1-500]
-----------------------------------------------------------------------------------------------------------------------------------
M
E
L
P
R
A
F
G
L
L
L
H
P
T
-
S
L
P
G
P
Y
G
V
G
V
L
-------------
G
R
E
A
R
D
F
L
R
F
L
K
E
A
G
-------
G
R
Y
W
Q
V
L
----
P
L
G
P
----
T
----
G
----
Y
--
G
D
S
P
--
Y
Q
S
F
S
A
----------
F
A
G
N
P
Y
L
I
D
L
R
-----
P
----
L
A
E
R
G
Y
V
R
---
L
E
D
P
---------
G
F
P
Q
G
R
V
D
Y
G
L
L
Y
A
W
K
W
P
------
A
L
K
E
--
A
F
R
G
F
K
E
KAS-
P
E
-
E
--
R
E
A
---
F
--
A
A
F
R
E
R
--
E
------
A
------
W
----
W
-
L
E
D
Y
----
A
L
F
M
A
--
L
K
G
A
H
G
G
L
P
W
N
R
------------------
W
P
-
L
P
L
R
K
R
E
E
K
A
L
R
---------------
E
A
K
S
A
L
A
E
E
V
A
---
F
H
A
F
T
Q
W
L
F
-
F
R
--
Q
W
G
-
A
L
K
A
E
A
E
--------
A
L
G
I
R
I
--
I
G
D
---
M
P
I
-
F
V
A
--------------------
E
D
S
A
E
V
W
A
H
P
E
W
F
H
L
D
E
E
G
R
P
T
V
V
A
--------
G
V
P
P
D
Y
F
S
E
T
G
Q
R
W
-------
G
N
P
L
Y
R
W
D
V
L
E
R
E
G
F
S
F
W
I
R
---
R
L
E
K
A
-----
L
E
L
F
H
L
V
R
I
D
----------
H
F
R
G
F
E
A
Y
W
E
------
I
P
A
S
C
P
T
A
V
E
G
R
W
V
K
A
-
P
G
-----
E
K
L
F
Q
--
K
I
Q
E
V
F
G
-
E
V
P
V
L
A
E
D
L
-----
G
V
I
T
P
E
V
E
A
L
R
D
R
------
F
G
L
P
G
M
-
K
V
L
Q
F
-----
A
F
D
D
G
M
E
N
-----
P
-
F
L
P
H
N
Y
P
--
A
H
GR
V
V
V
Y
T
-
G
T
H
D
N
------
D
T
T
L
G
W
Y
R
--------------------
T
A
T
P
-
H
E
K
A
F
M
A
R
----
Y
L
-
A
------
D
-----
W
G
I
T
F
R
E
E
--------------
E
-
E
V
P
W
A
L
M
H
L
G
M
K
S
-
V
--
A
R
L
A
V
----------------------------
Y
P
V
--
Q
D
V
L
A
L
---------
G
S
E
A
R
M
N
Y
P
G
R
P
S
G
N
W
A
W
R
L
L
P
--
G
E
L
-
S
P
--
E
--
H
G
-
A
---
R
L
-
R
A
M
A
E
A
T
E
R
L
-------------------------------------
2
PsiBlast_PDB
94.20
39%
-77
- C4 -
1CWY
-
MALQ_THETH
A:
[5-499]
---------------------------------------------------------------------------------------------------------------------------------------
R
A
F
G
L
L
L
H
P
T
-
S
L
P
G
P
Y
G
V
G
V
L
-------------
G
R
E
A
R
D
F
L
R
F
L
K
E
A
G
-------
G
R
Y
W
Q
V
L
----
P
L
G
P
----
T
----
G
----
Y
--
G
D
S
P
--
Y
Q
S
F
S
A
----------
F
A
G
N
P
Y
L
I
D
L
R
-----
P
----
L
A
E
R
G
Y
V
R
---
L
E
D
---
P
G
----
F
P
Q
G
--
R
V
D
Y
G
L
L
Y
A
W
K
W
P
------
A
L
K
E
--
A
F
R
G
F
K
E
KAS
P
E
E
-
R
--
E
A
-------
F
A
A
F
R
E
--
R
------
E
------
A
----
W
W
L
E
D
Y
----
A
L
F
M
A
--
L
K
G
A
H
G
G
L
P
W
N
R
------------------
W
P
-
L
P
L
R
K
R
E
E
K
A
L
R
---------------
E
A
K
S
A
L
A
E
E
V
A
---
F
H
A
F
T
Q
W
L
F
-
F
R
--
Q
W
G
-
A
L
K
A
E
A
E
--------
A
L
G
I
R
I
--
I
G
D
---
M
P
I
-
F
V
A
--------------------
E
D
S
A
E
V
W
A
H
P
E
W
F
H
L
D
E
E
G
R
P
T
V
V
A
--------
G
V
P
P
D
Y
F
S
E
T
G
Q
R
W
-------
G
N
P
L
Y
R
W
D
V
L
E
R
E
G
F
S
F
W
I
R
---
R
L
E
K
A
-----
L
E
L
F
H
L
V
R
I
D
----------
H
F
R
G
F
E
A
Y
W
E
------
I
P
A
S
C
P
T
A
V
E
G
R
W
V
K
A
-
P
G
-----
E
K
L
F
Q
--
K
I
Q
E
V
F
G
-
E
V
P
V
L
A
E
D
L
-----
G
V
I
T
P
E
V
E
A
L
R
D
R
------
F
G
L
P
G
M
-
K
V
L
Q
F
-----
A
F
D
D
G
M
E
N
-----
P
F
-
L
P
H
N
Y
P
--
A
H
GR
V
V
V
Y
T
-
G
T
H
D
N
------
D
T
T
L
G
W
Y
R
--------------------
T
A
T
P
-
H
E
K
A
F
M
A
R
----
Y
L
-
A
------
D
-----
W
G
I
T
F
R
E
E
--------------
E
-
E
V
P
W
A
L
M
H
L
G
M
K
S
-
V
--
A
R
L
A
V
----------------------------
Y
P
V
--
Q
D
V
L
A
L
---------
G
S
E
A
R
M
N
Y
P
G
R
P
S
G
N
W
A
W
R
L
L
P
--
G
E
L
-
S
P
--
E
--
H
G
-
A
---
R
L
-
R
A
M
A
E
A
T
E
R
L
-------------------------------------
3
PsiBlast_PDB
93.67
39%
-76
- C4 -
1ESW
4
MALQ_THETH
A:
[5-499]
---------------------------------------------------------------------------------------------------------------------------------------
R
A
F
G
L
L
L
H
P
T
-
S
L
P
G
P
Y
G
V
G
V
L
-------------
G
R
E
A
R
D
F
L
R
F
L
K
E
A
G
-------
G
R
Y
W
Q
V
L
----
P
L
G
P
----
T
----
G
----
Y
--
G
D
S
P
--
Y
Q
S
F
S
A
----------
F
A
G
N
P
Y
L
I
D
L
R
-----
P
----
L
A
E
R
G
Y
V
R
---
L
E
D
---
P
G
----
F
P
Q
G
--
R
V
D
Y
G
L
L
Y
A
W
K
W
P
------
A
L
K
E
--
A
F
R
G
F
K
E
KAS
P
E
E
-
R
--
E
A
-------
F
A
A
F
R
E
--
R
------
E
------
A
----
W
W
L
E
D
Y
----
A
L
F
M
A
--
L
K
G
A
H
G
G
L
P
W
N
R
------------------
W
P
-
L
P
L
R
K
R
E
E
K
A
L
R
---------------
E
A
K
S
A
L
A
E
E
V
A
---
F
H
A
F
T
Q
W
L
F
-
F
R
--
Q
W
G
-
A
L
K
A
E
A
E
--------
A
L
G
I
R
I
--
I
G
D
---
M
P
I
-
F
V
A
--------------------
E
D
S
A
E
V
W
A
H
P
E
W
F
H
L
D
E
E
G
R
P
T
V
V
A
--------
G
V
P
P
D
Y
F
S
E
T
G
Q
R
W
-------
G
N
P
L
Y
R
W
D
V
L
E
R
E
G
F
S
F
W
I
R
---
R
L
E
K
A
-----
L
E
L
F
H
L
V
R
I
D
----------
H
F
R
G
F
E
A
Y
W
E
------
I
P
A
S
C
P
T
A
V
E
G
R
W
V
K
A
-
P
G
-----
E
K
L
F
Q
--
K
I
Q
E
V
F
G
-
E
V
P
V
L
A
E
D
L
-----
G
V
I
T
P
E
V
E
A
L
R
D
R
------
F
G
L
P
G
M
-
K
V
L
Q
F
-----
A
F
D
D
G
M
E
N
-----
P
F
-
L
P
H
N
Y
P
--
A
H
GR
V
V
V
Y
T
-
G
T
H
D
N
------
D
T
T
L
G
W
Y
R
--------------------
T
A
T
P
-
H
E
K
A
F
M
A
R
----
Y
L
-
A
------
D
-----
W
G
I
T
F
R
E
E
--------------
E
-
E
V
P
W
A
L
M
H
L
G
M
K
S
-
V
--
A
R
L
A
V
----------------------------
Y
P
V
--
Q
D
V
L
A
L
---------
G
S
E
A
R
M
N
Y
P
G
R
P
S
G
N
W
A
W
R
L
L
P
--
G
E
L
-
S
P
--
E
--
H
G
-
A
---
R
L
-
R
A
M
A
E
A
T
E
R
L
-------------------------------------
5
PsiBlast_PDB
93.61
39%
-75
- C4 -
1FP8
2
MALQ_THETH
A:
[5-499]
---------------------------------------------------------------------------------------------------------------------------------------
R
A
F
G
L
L
L
H
P
T
-
S
L
P
G
P
Y
G
V
G
V
L
-------------
G
Q
E
A
R
D
F
L
R
F
L
K
E
A
G
-------
G
R
Y
W
Q
V
L
----
P
L
G
P
----
T
----
G
----
Y
--
G
D
S
P
--
Y
Q
S
F
S
A
----------
F
A
G
N
P
Y
L
I
D
L
R
-----
P
----
L
A
E
R
G
Y
V
R
---
L
E
D
---
P
G
----
F
P
Q
G
--
R
V
D
Y
G
L
L
Y
A
W
K
W
P
------
A
L
K
E
--
A
F
R
G
F
K
E
KAS
P
E
E
-
R
--
E
A
-------
F
A
A
F
R
E
--
R
------
E
------
A
----
W
W
L
E
D
Y
----
A
L
F
M
A
--
L
K
G
A
H
G
G
L
P
W
N
R
------------------
W
P
-
L
P
L
R
K
R
E
E
K
A
L
R
---------------
E
A
K
S
A
L
A
E
E
V
A
---
F
H
A
F
T
Q
W
L
F
-
F
R
--
Q
W
G
-
A
L
K
A
E
A
E
--------
A
L
G
I
R
I
--
I
G
D
---
M
P
I
-
F
V
A
--------------------
E
D
S
A
E
V
W
A
H
P
E
W
F
H
L
D
E
E
G
R
P
T
V
V
A
--------
G
V
P
P
D
Y
F
S
E
T
G
Q
R
W
-------
G
N
P
L
Y
R
W
D
V
L
E
R
E
G
F
S
F
W
I
R
---
R
L
E
K
A
-----
L
E
L
F
H
L
V
R
I
D
----------
H
F
R
G
F
E
A
Y
W
E
------
I
P
A
S
C
P
T
A
V
E
G
R
W
V
K
A
-
P
G
-----
E
K
L
F
Q
--
K
I
Q
E
V
F
G
-
E
V
P
V
L
A
E
D
L
-----
G
V
I
T
P
E
V
E
A
L
R
D
R
------
F
G
L
P
G
M
-
K
V
L
Q
F
-----
A
F
D
D
G
M
E
N
-----
P
F
-
L
P
H
N
Y
P
--
A
H
GR
V
V
V
Y
T
-
G
T
H
D
N
------
D
T
T
L
G
W
Y
R
--------------------
T
A
T
P
-
H
E
K
A
F
M
A
R
----
Y
L
-
A
------
D
-----
W
G
I
T
F
R
E
E
--------------
E
-
E
V
P
W
A
L
M
H
L
G
M
K
S
-
V
--
A
R
L
A
V
----------------------------
Y
P
V
--
Q
D
V
L
A
L
---------
G
S
E
A
R
M
N
Y
P
G
R
P
S
G
N
W
A
W
R
L
L
P
--
G
E
L
-
S
P
--
E
--
H
G
-
A
---
R
L
-
R
A
M
A
E
A
T
E
R
L
-------------------------------------
22
HHSearch
93.41
40%
-71
- C4 -
1ESW
4
MALQ_THETH
A:
[3-500]
------------------------------------------------------------------------------------------------------------------------------------
L
-
P
R
A
F
G
L
L
L
H
P
T
-
S
L
P
G
P
Y
G
V
G
V
L
-------------
G
R
E
A
R
D
F
L
R
F
L
K
E
A
G
-------
G
R
Y
W
Q
V
L
----
P
L
G
P
----
T
----
G
----
Y
--
G
D
S
P
--
Y
Q
S
F
S
A
----------
F
A
G
N
P
Y
L
I
D
L
R
-----
P
----
L
A
E
R
G
Y
V
R
---
L
E
D
P
---------
G
F
P
Q
G
R
V
D
Y
G
L
L
Y
A
W
K
W
P
------
A
L
K
E
--
A
F
R
G
F
K
E
----
K
A
-
S
P
E
E
R
E
---
A
--
F
A
A
F
R
E
--
R
E
-----
A
------
W
----
W
-
L
E
D
Y
----
A
L
F
M
A
--
L
K
G
A
H
G
G
L
P
W
N
R
------------------
W
P
L
-
P
L
R
K
R
E
E
K
A
L
R
---------------
E
A
K
S
A
L
A
E
E
V
A
---
F
H
A
F
T
Q
W
L
F
-
F
R
--
Q
W
G
-
A
L
K
A
E
A
E
--------
A
L
G
I
R
I
--
I
G
D
---
M
P
I
-
F
V
A
--------------------
E
D
S
A
E
V
W
A
H
P
E
W
F
H
L
D
E
E
G
R
P
T
V
V
A
--------
G
V
P
P
D
Y
F
S
E
T
G
Q
R
W
-------
G
N
P
L
Y
R
W
D
V
L
E
R
E
G
F
S
F
W
I
R
---
R
L
E
K
A
-----
L
E
L
F
H
L
V
R
I
D
----------
H
F
R
G
F
E
A
Y
W
E
------
I
P
A
S
C
P
T
A
V
E
G
R
W
V
K
A
-
P
G
-----
E
K
L
F
Q
--
K
I
Q
E
V
F
G
-
E
V
P
V
L
A
E
D
L
-----
G
V
I
T
P
E
V
E
A
L
R
D
R
------
F
G
L
P
G
M
-
K
V
L
Q
F
-----
A
F
D
D
G
-
M
E
-----
N
P
F
L
P
H
N
Y
P
AH
G
R
--
V
V
V
Y
T
-
G
T
H
D
N
------
D
T
T
L
G
W
Y
R
--------------------
T
A
T
P
-
H
E
K
A
F
M
A
R
----
Y
L
-
A
------
D
W
G
I
T
F
R
-----
E
E
--------------
E
-
E
V
P
W
A
L
M
H
L
G
M
K
S
-
V
--
A
R
L
A
V
----------------------------
Y
P
V
--
Q
D
V
L
A
L
---------
G
S
E
A
R
M
N
Y
P
G
R
P
S
G
N
W
A
W
R
L
L
P
--
G
E
L
-
S
P
--
E
--
H
G
-
A
---
R
L
-
R
A
M
A
E
A
T
E
R
L
-------------------------------------
7
PsiBlast_PDB
92.70
34%
-76
- C4 -
1X1N
9
DPEP_SOLTU
A:
[25-523]
--------------------------------------------------------------------------------------------------------------------------------------
R
R
R
A
G
I
L
L
H
P
T
-
S
F
P
G
P
Y
G
I
G
D
L
-------------
G
P
Q
A
F
K
F
L
D
W
L
H
L
A
G
-------
C
S
L
W
Q
V
L
----
P
L
V
P
----
P
GKRG
N
----
E
--
D
G
S
P
--
Y
S
G
Q
D
A
----------
N
C
G
N
T
L
L
I
S
L
E
-----
E
----
L
V
D
D
G
L
L
K
---
M
E
E
---
L
P
----
E
P
L
P
T
D
R
V
N
Y
S
T
I
S
E
I
K
D
P
------
L
I
T
K
--
A
A
K
R
L
L
S
----
S
E
-
G
--
E
L
K
D
--
Q
--
L
E
N
F
R
R
--
D
PNI---
S
------
S
----
W
-
L
E
D
A
----
A
Y
F
A
A
--
I
D
N
S
V
N
T
I
S
W
Y
D
------------------
W
P
E
-
P
L
K
N
R
H
L
A
A
L
E
---------------
E
V
Y
Q
S
E
K
D
F
I
D
---
I
F
I
A
Q
Q
F
L
F
-
Q
R
--
Q
W
K
-
K
V
R
D
Y
A
R
--------
S
K
G
I
S
I
--
M
G
D
---
M
P
I
-
Y
V
G
--------------------
Y
H
S
A
D
V
W
A
N
K
K
Q
F
L
L
N
R
K
G
F
P
L
I
V
S
--------
G
V
P
P
D
A
F
S
E
T
G
Q
L
W
-------
G
S
P
L
Y
D
W
K
A
M
E
K
D
G
F
S
W
W
V
R
---
R
I
Q
R
A
-----
T
D
L
F
D
E
F
R
I
D
----------
H
F
R
G
F
A
G
F
W
A
------
V
P
S
E
E
K
I
A
I
L
G
R
W
K
V
G
-
P
G
-----
K
P
L
F
D
--
A
I
L
Q
A
V
G
-
K
I
N
I
I
A
E
D
L
-----
G
V
I
T
E
D
V
V
Q
L
R
K
S
------
I
E
A
P
G
M
-
A
V
L
Q
F
-----
A
F
G
S
D
A
E
N
-----
P
-
H
L
P
H
N
H
E
--
Q
N
--
Q
V
V
Y
T
-
G
T
H
D
N
------
D
T
I
R
G
W
W
D
--------------------
T
L
P
Q
-
E
E
K
S
N
V
L
K
----
Y
L
-
S
------
N
-----
I
-----
E
E
--------------
E
-
E
I
S
R
G
L
I
E
G
A
V
S
S
-
V
--
A
R
I
A
I
----------------------------
I
P
M
--
Q
D
V
L
G
L
---------
G
S
D
S
R
M
N
I
P
A
T
Q
F
G
N
W
S
W
R
I
P
S
--
S
T
S
-
F
D
--
N
--
L
D
-
A
E
A
K
K
L
-
R
D
I
L
A
T
Y
G
R
L
-------------------------------------
21
HHSearch
92.60
35%
-75
- C4 -
1X1N
9
DPEP_SOLTU
A:
[24-524]
------------------------------------------------------------------------------------------------------------------------------------
D
-
R
R
R
A
G
I
L
L
H
P
T
-
S
F
P
G
P
Y
G
I
G
D
L
-------------
G
P
Q
A
F
K
F
L
D
W
L
H
L
A
G
-------
C
S
L
W
Q
V
L
----
P
L
V
P
----
P
----
G
KRGN
E
--
D
G
S
P
--
Y
S
G
Q
D
A
----------
N
C
G
N
T
L
L
I
S
L
E
-----
E
----
L
V
D
D
G
L
L
K
---
M
E
E
L
---
P
----
E
P
L
P
T
D
R
V
N
Y
S
T
I
S
E
I
K
D
P
------
L
I
T
K
--
A
A
K
R
L
L
S
----
S
E
-
G
E
-
L
K
D
---
Q
--
L
E
N
F
R
R
DP
N
I-----
S
------
S
----
W
-
L
E
D
A
----
A
Y
F
A
A
--
I
D
N
S
V
N
T
I
S
W
Y
D
------------------
W
P
E
-
P
L
K
N
R
H
L
A
A
L
E
---------------
E
V
Y
Q
S
E
K
D
F
I
D
---
I
F
I
A
Q
Q
F
L
F
-
Q
R
--
Q
W
K
-
K
V
R
D
Y
A
R
--------
S
K
G
I
S
I
--
M
G
D
---
M
P
I
-
Y
V
G
--------------------
Y
H
S
A
D
V
W
A
N
K
K
Q
F
L
L
N
R
K
G
F
P
L
I
V
S
--------
G
V
P
P
D
A
F
S
E
T
G
Q
L
W
-------
G
S
P
L
Y
D
W
K
A
M
E
K
D
G
F
S
W
W
V
R
---
R
I
Q
R
A
-----
T
D
L
F
D
E
F
R
I
D
----------
H
F
R
G
F
A
G
F
W
A
------
V
P
S
E
E
K
I
A
I
L
G
R
W
K
V
G
-
P
G
-----
K
P
L
F
D
--
A
I
L
Q
A
V
G
-
K
I
N
I
I
A
E
D
L
-----
G
V
I
T
E
D
V
V
Q
L
R
K
S
------
I
E
A
P
G
M
-
A
V
L
Q
F
-----
A
F
G
S
D
-
A
E
-----
N
P
H
L
P
H
N
H
E
--
Q
N
--
Q
V
V
Y
T
-
G
T
H
D
N
------
D
T
I
R
G
W
W
D
--------------------
T
L
P
Q
-
E
E
K
S
N
V
L
K
----
Y
L
-
S
------
N
-----
I
-----
E
E
--------------
E
-
E
I
S
R
G
L
I
E
G
A
V
S
S
-
V
--
A
R
I
A
I
----------------------------
I
P
M
--
Q
D
V
L
G
L
---------
G
S
D
S
R
M
N
I
P
A
T
Q
F
G
N
W
S
W
R
I
P
S
--
S
T
S
F
D
N
--
L
D
A
E
A
-
K
---
K
L
-
R
D
I
L
A
T
Y
G
R
L
-------------------------------------
6
PsiBlast_PDB
92.00
39%
-73
- C4 -
1FP9
-
MALQ_THETH
A:
[5-499]
---------------------------------------------------------------------------------------------------------------------------------------
R
A
F
G
L
L
L
H
P
T
-
S
L
P
G
P
Y
G
V
G
V
L
-------------
G
Q
E
A
R
D
F
L
R
F
L
K
E
A
G
-------
G
R
Y
W
Q
V
L
----
P
L
G
P
----
T
----
G
----
Y
--
G
D
S
P
--
Y
Q
S
F
S
A
----------
F
A
G
N
P
Y
L
I
D
L
R
-----
P
----
L
A
E
R
G
Y
V
R
---
L
E
D
---
P
G
----
F
P
Q
G
--
R
V
D
Y
G
L
L
Y
A
W
K
W
P
------
A
L
K
E
--
A
F
R
G
F
K
E
KAS
P
E
E
-
R
--
E
A
-------
F
A
A
F
R
E
--
R
------
E
------
A
----
W
W
L
E
D
Y
----
A
L
F
M
A
--
L
K
G
A
H
G
G
L
P
W
N
R
------------------
W
P
-
L
P
L
R
K
R
E
E
K
A
L
R
---------------
E
A
K
S
A
L
A
E
E
V
A
---
F
H
A
F
T
Q
W
L
F
-
F
R
--
Q
W
G
-
A
L
K
A
E
A
E
--------
A
L
G
I
R
I
--
I
G
D
---
M
P
I
-
F
V
A
--------------------
E
D
S
A
E
V
W
A
H
P
E
W
F
H
L
D
E
E
G
R
P
T
V
V
A
--------
G
V
P
P
D
Y
F
S
E
T
G
Q
R
W
-------
G
N
P
L
Y
R
W
D
V
L
E
R
E
G
F
S
F
W
I
R
---
R
L
E
K
A
-----
L
E
L
F
H
L
V
R
I
D
----------
H
F
R
G
F
E
A
Y
W
E
------
I
P
A
S
C
P
T
A
V
E
G
R
W
V
K
A
-
P
G
-----
E
K
L
F
Q
--
K
I
Q
E
V
F
G
-
E
V
P
V
L
A
E
D
L
-----
G
V
I
T
P
E
V
E
A
L
R
D
R
------
F
G
L
P
G
M
-
K
V
L
Q
F
-----
A
F
D
D
G
M
E
N
-----
P
F
-
L
P
H
N
Y
P
--
A
H
GR
V
V
V
Y
T
-
G
T
H
D
N
------
D
T
T
L
G
W
Y
R
--------------------
T
A
T
P
-
H
E
K
A
F
M
A
R
----
Y
L
-
A
------
D
-----
W
G
I
T
F
R
E
E
--------------
E
-
E
V
P
W
A
L
M
H
L
G
M
K
S
-
V
--
A
R
L
A
V
----------------------------
Y
P
V
--
Q
D
V
L
A
L
---------
G
S
E
A
R
M
N
Y
P
G
R
P
S
G
N
W
A
W
R
L
L
P
--
G
E
L
-
S
P
--
E
--
H
G
-
A
---
R
L
-
R
A
M
A
E
A
T
E
R
L
-------------------------------------
42
Fugue
71.11
22%
-54
- C4 -
4S3Q
7
?
A:
[2-691]
ES
K
R
L
D
N
A
A
L
A
A
GISP
N
Y
I
N
AHG
K
P
Q
S
I
S
A
E
T
K
R
R
L
L
D
A
MHQTPVPN
V
M
V
Y
T
S
G
K
K
M
P
M
V
V
E
G
S
G
E
Y
S
W
L
L
T
T
EEG
T
Q
Y
K
G
H
V
T
GG
K
A
F
N
L
P
TKLPE
G
Y
H
T
L
T
L
T
Q
DD
Q
R
A
H
C
R
V
I
V
A
P
KRCYEP
Q
A
L
L
N
K
Q
K
-
L
W
G
A
C
V
Q
L
Y
T
L
-
R
S
E
K
N
W
G
I
G
D
F
-------------
G
-
D
L
K
A
M
L
V
D
V
A
K
R
G
-------
G
S
F
I
G
L
N
----
P
I
H
A
LYPA
N
----
P
----
E
--
S
A
S
P
--
Y
S
P
S
S
R
----------
R
W
L
N
V
I
Y
I
D
V
N
AV
E
D
F
H
----
L
S
E
E
A
Q
A
W
W
Q
L
P
T
T
Q
Q
T
L
Q
----
Q
A
R
D
A
D
W
V
D
Y
S
T
V
T
A
L
K
M
T
------
A
L
R
M
--
A
W
K
G
F
A
Q
----
R
D
D
E
--
Q
M
A
---
A
--
F
R
Q
F
V
A
--
E
------
Q
G
D
S
L
F
W
Q
----
A
-
A
F
D
A
----
L
H
A
Q
Q
--
V
K
E
D
E
M
R
W
G
W
P
A
------------------
W
P
E
M
Y
Q
-
N
V
D
S
P
E
V
R
---------------
Q
F
C
E
E
H
R
D
D
V
D
---
F
Y
L
W
L
Q
W
L
A
-
Y
S
--
Q
F
A
-
A
C
W
E
I
S
Q
--------
G
Y
E
M
P
I
G
L
Y
R
D
---
L
A
V
-
G
V
A
--------------------
E
G
G
A
E
T
W
C
D
R
E
L
Y
C
L
K
------
A
S
V
--------
G
A
P
P
D
I
L
G
P
L
G
Q
N
W
-------
G
L
P
P
M
D
P
H
I
I
T
A
R
A
Y
E
P
F
I
E
---
L
L
R
A
N
-----
M
Q
N
C
G
A
L
R
I
D
----------
H
V
M
S
M
L
R
L
W
W
------
I
P
Y
G
-
E
T
A
D
Q
G
A
Y
V
H
Y
-
P
V
-----
D
D
L
L
S
I
L
A
L
E
S
K
R
H
-
R
C
M
V
I
G
E
D
L
-----
G
T
V
P
V
E
I
V
G
K
L
R
S
------
S
G
V
Y
S
Y
-
K
V
L
Y
F
-----
E
--
N
D
H
E
K
-----
T
F
R
A
P
K
A
Y
P
--
E
Q
--
S
M
A
V
A
-
A
T
H
D
L
------
P
T
L
R
G
Y
W
E
C
G
D
L
T
L
G
K
T
L
GLYPD
E
V
V
L
R
G
L
Y
Q
-
D
R
E
L
A
K
Q
G
----
L
L
-
D
------
A
-----
L
-----
H
K
Y
GCLPKRAGHKASL
M
-
S
M
T
P
T
L
N
R
G
L
Q
R
Y
-
I
A
D
S
N
S
A
L
----------------------------
L
G
L
Q
P
E
D
W
L
D
M
---------
A
--
E
P
V
N
I
P
G
T
S
Y
Q
Y
K
N
W
R
-
R
K
LS
A
T
L
-
E
S
M
F
A
--
D
D
-
G
---
V
N
-
K
L
L
K
D
L
D
R
R
R
R
S
AH---------------------------------
9
PsiBlast_PDB
51.59
23%
-70
- C4 -
4S3Q
3
?
A:
[343-557]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
Y
L
-
W
L
--
Q
W
L
-
A
Y
S
Q
F
A
A
C
W
E
I
S
Q
G
Y
E
M
P
I
G
L
--
Y
R
D
---
L
A
V
-
G
V
A
--------------------
E
G
G
A
E
T
W
C
D
R
E
L
Y
C
L
K
------
A
S
V
--------
G
A
P
P
D
I
L
G
P
L
G
Q
N
W
-------
G
L
P
P
M
D
P
H
I
I
T
A
R
A
Y
E
P
F
I
E
---
L
L
R
A
N
-----
M
Q
N
C
G
A
L
R
I
D
----------
H
V
M
S
M
L
R
L
W
W
------
I
P
Y
G
-
E
T
A
D
Q
G
A
Y
V
H
Y
-
P
V
-----
D
D
L
L
S
I
L
A
L
E
S
K
R
H
-
R
C
M
V
I
G
E
D
L
-----
G
T
V
P
V
E
I
V
G
K
L
R
S
------
S
G
V
Y
S
Y
-
K
V
L
Y
F
-------
E
N
D
H
E
K
-----
T
F
R
A
P
K
A
Y
P
--
E
Q
--
S
M
A
V
A
-
A
T
H
D
L
------
P
T
L
R
G
Y
W
E
--------------------
C
G
D
L
-
T
L
G
K
T
L
G
L
----
Y
P
-
D
------
E
-----
V
-----
V
L
--------------
R
-
G
L
Y
Q
D
R
E
L
A
K
Q
G
L
-
L
--
D
A
L
H
K
----------------------------
Y
G
C
--
L
P
K
R
A
G
---------
H
K
A
S
L
M
S
M
T
P
T
L
N
R
G
L
Q
R
Y
I
A
D
--
S
N
S
-
A
L
--
L
--
G
L
-
Q
---
P
E
-
D
W
L
D
M
A
E
P
V
N
I
P
-----------------------------------
44
Fugue
50.76
20%
-15
- C4 -
4TQT
8
?
A:
[14-490]
----------------------------------------------------------------------------------------------------------------------------------------
A
S
K
V
I
K
G
G
T
-
V
I
T
A
D
--------------------
R
T
F
R
A
--
D
I
L
I
E
D
G
-------
K
I
A
A
I
G
D
----
S
L
E
G
----
D
----
E
----
V
--
I
D
A
S
G
C
Y
V
M
P
G
G
----------
I
D
P
H
T
H
L
---------
Q
----
M
P
F
M
G
T
Y
S
---
S
D
D
F
D
T
G
T
A
A
A
L
A
G
G
T
T
M
V
V
D
F
V
L
P
D
S
E
G
N
--------
L
L
D
--
A
L
Q
E
W
F
Q
----
K
A
-
G
--
K
A
R
------------------------------------
T
D
Y
----
S
F
H
M
A
--
I
---------
T
G
------------------
W
N
------------
E
---------------
R
T
F
N
E
M
A
E
V
V
K
---
R
G
I
N
T
F
H
F
M
A
Y
K
--
G
A
L
-
M
V
N
D
D
E
M
--------
F
A
S
F
Q
R
--
C
A
E
L
G
A
M
P
L
-
V
H
A
--------------------
E
N
G
D
I
V
A
Q
L
Q
A
K
L
M
A
E
G
N
D
G
P
E
A
H
A
Y
S
R
P
P
E
V
E
G
E
A
T
N
R
A
I
M
I
A
D
Q
A
-------
G
V
P
L
Y
V
V
H
V
S
C
E
Q
S
H
E
A
I
R
R
---
A
R
Q
K
G
-----
M
R
V
F
G
E
P
L
I
Q
----------
H
L
T
L
D
E
S
E
Y
H
------
N
R
-
D
W
D
Y
A
A
R
R
V
M
S
P
P
-
F
R
D
K
L
N
Q
D
S
L
W
A
--
G
L
A
A
--
G
-
S
L
Q
C
V
A
T
D
H
-----
C
A
F
T
T
E
Q
K
R
Y
G
I
G
NFTKI
P
N
G
T
G
G
L
E
E
R
M
P
V
-----
L
W
T
R
G
V
R
T
-----
G
R
L
T
P
N
E
F
V
--
A
V
--
T
S
T
N
I
-
A
K
I
L
N
IYPQKG
A
V
V
P
G
A
D
A
--------------------
D
L
V
I
-
W
D
P
E
T
T
K
K
----
I
S
-
A
------
K
-----
T
-----
Q
H
--------------
S
-
S
I
D
Y
N
V
F
E
G
F
E
L
K
G
L
--
P
I
M
T
L
----------------------------
S
R
G
--
R
I
A
F
D
K
---------
G
Q
V
T
A
K
P
------
G
D
G
R
F
I
E
R
E
--
P
N
G
-
A
V
--
N
--
R
A
L
S
---
Q
W
-
K
E
I
V
A
P
R
K
V
E
R
S
A----------------------------------
48
Fugue
50.08
17%
-22
- C2 -
4IUW
16
?
A:
[4-633]
---------------------------------------------------------------------------------------------LPRIQDD
L
Y
L
A
V
N
G
E
W
Q
A
K
TPIPPDKSVVS
A
D
S
N
L
T
D
D
I
R
-
Q
K
L
V
A
D
L
S
T
M
T
-
K
T
A
K
T
L
P
L
Q
Y
A
-------------
A
R
L
F
A
K
A
N
D
Q
T
R
R
Q
Q
L
GIEPV
R
D
R
I
S
F
L
M
----
A
L
T
T
----
L
----
D
----
Q
--
F
R
S
A
--
M
P
K
L
V
A
D
QYVLP
I
S
P
Y
V
D
A
D
M
H
D
A
E
H
N
-----
I
----
L
N
L
G
G
P
D
T
---
I
L
P
D
A
A
M
Y
----
N
Q
E
D
A
E
N
A
A
D
L
A
A
W
S
Q
M
A
A
------
A
M
L
A
--
A
V
G
F
--
S
----
Q
T
-
D
--
Q
T
A
---
Y
--
V
E
A
A
K
R
--
F
------
D
------
R
----
R
-
L
A
D
Y
VPA
N
V
D
L
A
V
--
D
S
T
Y
D
N
P
L
S
W
Q
A
------------------
F
E
D
A
A
G
Y
L
G
I
P
Q
A
F
A
T
Y
MPQTPA
K
V
N
A
VVP
A
Y
L
P
H
L
S
K
L
L
T
PDN
Y
S
E
W
H
A
W
M
V
-
I
N
--
E
L
L
-
T
C
A
T
Y
L
S
--------
D
D
L
R
Q
L
--
A
G
Q
---
Y
D
R
-
F
L
A
GQPEASS
W
T
K
H
A
F
G
I
A
N
E
YF
D
D
V
I
G
Q
Y
Y
G
Q
T
Y
F
G
A
D
A
K
A
D
V
T
A
M
V
--------
K
Q
I
L
A
Q
Y
R
V
--
Q
L
E
-------
N
N
T
W
L
S
P
A
T
K
Q
K
A
M
R
K
L
A
T
M
---
Q
V
K
M
G
YPARL
F
S
L
Y
D
H
L
S
V
D
VDDD
L
L
T
A
I
L
K
L
S
A
Q
T
Q
A
F
W
------
F
K
Q
L
G
Q
T
V
D
R
N
Q
W
N
-
M
-
P
G
-----
H
L
V
N
A
--
S
Y
D
P
L
K
N
-
D
I
T
F
P
A
G
I
L
QPPYY
S
L
K
W
T
R
A
E
N
L
G
G
T
------
G
A
T
I
G
H
-
E
I
S
H
S
F
D
N
N
G
A
L
Y
D
E
Y
G
N
LHNWW
T
P
A
D
K
Q
A
F
D
--
Q
L
--
V
K
A
M
A
-
A
Q
F
D
G
------
R
D
Y
E
G
V
K
V
--------------------
N
G
T
L
T
V
S
E
N
M
A
D
N
A
G
M
D
V
A
-
L
------
A
-----
L
-----
L
G
--------------
D
-
Q
P
D
V
K
D
L
Q
A
F
F
I
T
-
Y
--
A
R
S
W
A
----------------------------
T
K
M
--
R
P
E
R
A
K
T
V
L
R
QDVHA
P
A
T
L
R
V
N
V
P
V
Q
N
F
P
A
W
-
Y
Q
A
F
N
--
V
Q
P
-
Q
D
--
G
--
M
Y
-
R
---
Q
P
-
Q
K
R
L
T
I
W
H
Q
--------------------------------------
8
PsiBlast_PDB
49.89
23%
-67
- C4 -
4S3P
-
?
A:
[343-557]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
Y
L
-
W
L
--
Q
W
L
-
A
Y
S
Q
F
A
A
C
W
E
I
S
Q
G
Y
E
M
P
I
G
L
--
Y
R
D
---
L
A
V
-
G
V
A
--------------------
E
G
G
A
E
T
W
C
D
R
E
L
Y
C
L
K
------
A
S
V
--------
G
A
P
P
D
I
L
G
P
L
G
Q
N
W
-------
G
L
P
P
M
D
P
H
I
I
T
A
R
A
Y
E
P
F
I
E
---
L
L
R
A
N
-----
M
Q
N
C
G
A
L
R
I
D
----------
H
V
M
S
M
L
R
L
W
W
------
I
P
Y
G
-
E
T
A
D
Q
G
A
Y
V
H
Y
-
P
V
-----
D
D
L
L
S
I
L
A
L
E
S
K
R
H
-
R
C
M
V
I
G
E
D
L
-----
G
T
V
P
V
E
I
V
G
K
L
R
S
------
S
G
V
Y
S
Y
-
K
V
L
Y
F
-------
E
N
D
H
E
K
-----
T
F
R
A
P
K
A
Y
P
--
E
Q
--
S
M
A
V
A
-
A
T
H
D
L
------
P
T
L
R
G
Y
W
E
--------------------
C
G
D
L
-
T
L
G
K
T
L
G
L
----
Y
P
-
D
------
E
-----
V
-----
V
L
--------------
R
-
G
L
Y
Q
D
R
E
L
A
K
Q
G
L
-
L
--
D
A
L
H
K
----------------------------
Y
G
C
--
L
P
K
R
A
G
---------
H
K
A
S
L
M
S
M
T
P
T
L
N
R
G
L
Q
R
Y
I
A
D
--
S
N
S
-
A
L
--
L
--
G
L
-
Q
---
P
E
-
D
W
L
D
M
A
E
P
V
N
I
P
-----------------------------------
43
Fugue
48.08
10%
-24
- C4 -
4AEE
-
?
A:
[1-696]
-----------------------------------------------------------------------------------MYKII
G
R
E
I
Y
GK
G
R
K
G
R
Y
I
V
K
F
T
R
H
W
P
QYAKNIYLIGEFTSLYPGF
V
K
L
R
-
K
I
E
E
Q
G
I
V
Y
L
K
-
L
W
P
G
E
Y
G
Y
G
F
Q
I
DNDFENVLDPDN
E
E
K
K
C
V
H
T
S
F
F
P
E
Y
K
-------
K
C
L
S
K
L
V
I
K
E
P
D
N
P
L
----
D
----
K
----
I
--
I
H
I
E
--
E
S
G
F
I
H
----------
K
F
N
G
E
I
I
I
R
L
I
-----
A
P
TEI
N
E
P
L
I
D
L
G
---
N
E
I
R
E
P
L
T
----
K
H
V
V
G
D
N
I
V
Y
Q
Y
I
I
P
S
R
S
I
L
R
Y
R
F
I
F
N
Y
N
--
D
K
K
L
F
Y
G
----
D
E
-
G
--
V
S
E
NS
S
Y
--
I
V
V
N
S
K
--
Y
I
P
G
V
DK
P
------
R
----
W
-
Y
M
G
T
----
V
Y
Y
Q
I
--
F
I
D
S
F
D
N
G
D
P
N
N
DPP
N
R
I
K
KTVPREYGYYG
G
D
L
A
G
I
M
K
H
I
D
H
L
E
D
L
GVE
T
I
Y
L
T
PIFS--
S
T
S
Y
H
R
Y
D
T
I
D
---
Y
K
S
I
D
K
Y
L
G
-
T
M
--
E
D
F
E
K
L
V
Q
V
L
H
--------
S
R
K
I
K
I
--
V
L
D
---
I
T
M
H
H
T
N
--------------------
P
C
N
E
L
F
V
K
A
L
R
E
G
E
N
S
P
Y
W
E
M
F
S
F
L
--------
S
P
P
P
K
E
I
V
E
L
M
L
K
Y
I
DGEECR
S
R
E
L
Y
K
L
D
Y
F
R
N
N
K
P
F
Y
E
A
F
FNI
W
L
M
A
K
-----
F
N
H
D
N
P
R
T
V
D
----------
Y
F
I
D
I
T
K
F
W
I
D
K
GID
G
F
R
I
D
V
A
M
G
I
H
----
Y
S
-
W
M
-----
K
Q
Y
Y
E
--
Y
I
K
N
T
Y
P
-
D
F
L
V
L
G
E
L
A
-----
E
N
P
R
I
Y
M
D
Y
F
D
S
A
------
M
N
Y
Y
L
R
-
K
A
I
L
E
-----
L
L
I
Y
K
R
I
D
-----
L
N
E
F
I
S
R
I
N
--
N
V
--
Y
A
Y
I
P
--
H
Y
K
A
------
L
S
L
Y
N
M
L
G
--------------------
S
H
D
V
-
P
R
----------
I
K
-
S
------
M
-----
V
-----
Q
N
--------------
N
-
K
L
L
K
L
M
Y
V
L
I
F
A
L
-
P
--
G
S
P
V
I
Y
Y
GDEIG
L
E
G
G
R
DPDNRRPMIWDRGNWD
L
E
L
--
Y
E
H
I
K
K
---------
L
I
R
I
Y
K
S
C
R
S
M
R
H
G
Y
F
L
V
E
N
L
G
--
S
N
L
-
L
F
--
I
--
K
R
-
W
---
I
N
N
E
E
I
I
F
L
L
N
V
S
S
K
D
I
S
V
D
LKYSFDIYNEKNVLLRGY
G
F
L
I
L
G
SKPCNI
47
Fugue
43.96
18%
-24
- C3 -
3ES5
-
?
A:
[42-420]
-----------------------------------------------------------------------------------------------------------------------------------
M
R
-
L
----------------------------------------
G
W
I
D
P
L
P
Q
V
D
-------
T
I
F
P
L
G
L
----
E
P
N
V
----
E
----
S
----
I
--
P
----------------------
A
G
E
V
E
L
-
D
F
N
------------
L
P
E
T
I
A
---
K
P
F
A
D
T
V
T
----
S
V
G
D
R
I
-----
Q
L
V
D
D
D
K
E
------
N
I
A
T
--
S
I
Y
G
L
S
F
----
F
K
-
A
--
A
R
Q
---
L
--
Y
S
T
M
L
D
--
H
------
E
------
K
----
A
-
V
N
Q
P
----
L
K
A
V
Y
--
Y
------------------------------
D
E
T
P
I
P
A
H
M
S
G
A
L
G
-------------------------------------------------------------------
I
--
I
G
H
---
M
K
T
-
K
V
G
----------------------
D
V
L
V
K
D
A
G
V
L
F
K
R
G
T
A
A
G
V
T
K
F
S
--------
E
I
D
N
D
------------------
K
T
W
N
L
D
C
S
K
------
L
V
W
---
A
D
H
S
S
-----
L
S
M
I
K
R
L
A
S
E
----------
K
I
S
Q
L
-----------
V
K
Q
R
Y
R
V
T
D
------
A
-
Q
G
-----
H
V
Y
S
V
--
S
M
P
Q
L
T
D
Q
A
L
P
D
Y
Y
D
S
I
-----
P
D
V
A
P
N
S
D
Q
L
R
V
L
------
T
A
A
L
Q
M
-
S
L
A
Q
F
-----
R
-
N
D
E
L
P
H
-----
D
E
D
R
S
D
L
L
T
--
T
L
--
D
L
L
Y
A
D
G
A
Y
E
I
------
S
A
L
R
D
Q
F
E
--------------------
L
L
M
A
-
R
Y
T
T
D
F
K
W
----
R
V
-
E
------
S
-----
I
-----
F
K
--------------
V
G
P
P
P
A
G
T
T
G
Y
G
A
Q
T
-
V
--
S
S
T
G
N
----------------------------
T
A
R
--
W
Q
F
P
L
S
---------
D
A
D
I
N
I
G
Y
L
F
S
P
S
K
S
F
S
L
F
P
K
M
--
V
G
Y
-
S
K
--
R
--
A
R
-
E
---
D
A
-
S
A
S
F
A
N
S
D
A
K
K
F
YAD--------------------------------
10
PsiBlast_PDB
43.77
22%
24
- C4 -
4S3R
2
?
A:
[239-557]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
T
L
Q
----
Q
A
R
D
A
D
W
V
D
Y
S
T
V
T
A
L
K
M
T
------
A
L
R
M
--
A
W
K
G
F
A
Q
R---
D
D
-
E
--
Q
M
A
---
A
--
F
R
Q
F
V
A
--
E
------
Q
------
G
D
S
L
F
W
-
Q
A
A
F
----
D
A
L
H
A
Q
Q
V
K
E
D
E
M
R
W
G
W
P
A
------------------
W
P
E
M
Y
Q
N
V
D
S
P
E
V
-------------------
R
Q
F
C
E
E
------
H
R
D
D
V
D
F
Y
L
-
W
L
--
Q
W
L
-
A
Y
S
Q
F
A
A
C
W
E
I
S
Q
G
Y
E
M
P
I
G
L
--
Y
R
D
---
L
A
V
-
G
V
A
--------------------
E
G
G
A
E
T
W
C
D
R
E
L
Y
C
L
K
------
A
S
V
--------
G
A
P
P
D
I
L
G
P
L
G
Q
N
W
-------
G
L
P
P
M
D
P
H
I
I
T
A
R
A
Y
E
P
F
I
E
---
L
L
R
A
N
-----
M
Q
N
C
G
A
L
R
I
D
----------
H
V
M
S
M
L
R
L
W
W
------
I
P
Y
G
-
E
T
A
D
Q
G
A
Y
V
H
Y
-
P
V
-----
D
D
L
L
S
I
L
A
L
E
S
K
R
H
-
R
C
M
V
I
G
E
D
L
-----
G
T
V
P
V
E
I
V
G
K
L
R
S
------
S
G
V
Y
S
Y
-
K
V
L
Y
F
-------
E
N
D
H
E
K
-----
T
F
R
A
P
K
A
Y
P
--
E
Q
--
S
M
A
V
A
-
A
T
H
D
L
------
P
T
L
R
G
Y
W
E
--------------------
C
G
D
L
-
T
L
G
K
T
L
G
L
----
Y
P
-
D
------
E
-----
V
-----
V
L
--------------
R
-
G
L
Y
Q
D
R
E
L
A
K
Q
G
L
-
L
--
D
A
L
H
K
----------------------------
Y
G
C
--
L
P
K
R
A
G
---------
H
K
A
S
L
M
S
M
T
P
T
L
N
R
G
L
Q
R
Y
I
A
D
--
S
N
S
-
A
L
--
L
--
G
L
-
Q
---
P
E
-
D
W
L
D
M
A
E
P
V
N
I
P
-----------------------------------
50
Fugue
42.41
15%
-7
- C1 -
2F2A
1
GATB_STAAM
B:
[4-411]
--------------------------------------------------------------------------------------------------------------------------------------
E
T
V
I
G
L
E
V
H
V
E
L
K
T
D
S
K
M
F
S
P
S
P
-------------
A
H
F
G
A
E
P
N
S
N
T
N
V
I
D
-------
L
A
Y
P
G
V
L
----
P
V
V
N
----
K
----
R
----
A
--
V
D
W
A
--
M
R
A
A
M
A
----------
L
--
N
M
E
I
A
T
E
S
-----
K
----
F
D
R
K
N
Y
F
Y
---
P
D
N
P
K
A
Y
Q
----
I
S
Q
F
D
Q
P
I
G
E
N
G
Y
I
D
I
E
V
D
------
G
E
T
K
R
I
G
I
T
R
L
H
M
----
E
E
-
D
--
A
G
K
---
S
--
T
H
K
-----
G
------
E
------
Y
----
S
-
L
V
D
L
----
N
R
----------
Q
G
T
P
L
I
E
------------------
I
V
S
E
P
D
I
R
S
P
K
E
A
Y
A
----------------
Y
L
E
K
L
R
S
I
I
Q
---
Y
T
G
V
S
D
V
K
M
-
E
E
GS
L
R
C
-
D
A
N
I
S
L
R
--------
P
Y
G
Q
E
K
--
F
G
T
---
K
A
E
-
L
K
N
--------------------
L
N
S
F
N
Y
V
R
K
G
L
E
Y
E
E
K
R
Q
E
E
E
L
-------------------
L
N
G
G
E
I
-------
G
Q
E
T
R
R
F
D
E
S
T
--------------
G
K
T
-----
I
L
M
R
V
K
-----------------------
E
------
G
S
D
D
Y
R
Y
F
P
E
P
D
I
V
P
L
Y
I
D
-----
D
A
W
K
E
--
R
V
R
Q
T
I
P
-
E
L
--------------
P
D
E
R
K
A
K
Y
V
N
E
------
L
G
L
P
A
Y
-
D
A
H
V
L
-----
T
L
T
K
E
M
S
D
-----
F
F
E
S
T
I
E
------------
H
-
G
A
D
V
K
------
L
T
S
N
W
L
M
G
--------------------
G
V
N
E
-
Y
L
N
K
N
Q
V
E
--------------------
L
-----
L
D
--------------
T
-
K
L
T
P
E
N
L
A
G
M
I
K
L
-
I
--
E
D
G
T
M
----------------------------
S
--------
S
K
---------
I
A
K
K
V
F
P
E
L
A
A
K
G
G
N
A
K
Q
I
M
E
D
--
N
G
L
-
V
Q
--------------------------------------------------------------