@TOME V2.2
(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 : S27A1_HUMAN: (2015-12-10 )
MRAPGAGAASVVSLALLWLLGLPWTWSAAAALGVYVGSGGWRFLRIVCKTARRDLFGLSVLIRVRLELRRHQRAGHTIPRIFQAVVQRQPERLALVDAGTGECWTFAQLDAYSNAVANLFRQLGFAPGDVVAIFLEGRPEFVGLWLGLAKAGMEAALLNVNLRREPLAFCLGTSGAKALIFGGEMVAAVAEVSGHLGKSLIKFCSGDLGPEGILPDTHLLDPLLKEASTAPLAQIPSKGMDDRLFYIYTSGTTGLPKAAIVVHSRYYRMAAFGHHAYRMQAADVLYDCLPLYHSAGNIIGVGQCLIYGLTVVLRKKFSASRFWDDCIKYNCTVVQYIGEICRYLLKQPVREAERRHRVRLAVGNGLRPAIWEEFTERFGVRQIGEFYGATECNCSIANMDGKVGSCGFNSRILPHVYPIRLVKVNEDTMELLRDAQGLCIPCQAGEPGLLVGQINQQDPLRRFDGYVSESATSKKIAHSVFSKGDSAYLSGDVLVMDELGYMYFRDRSGDTFRWRGENVSTTEVEGVLSRLLGQTDVAVYGVAVPGVEGKAGMAAVADPHSLLDPNAIYQELQKVLAPYARPIFLRLLPQVDTTGTFKIQKTRLQREGFDPRQTSDRLFFLDLKQGHYLPLNEAVYTRICSGAFAL
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.....--.-.560-----.----.--......570.----.----.-...----.580---.......590.......600.......610.......620.......630.......640....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---MRAPGA
G
A
A
S
V
V
S
L
A
L
L
W
L
LGLPWT
W
S
A
A
A
A
L
G
V
Y
VGSG
G
W
--
R
F
L
R
I
V
C
K
T
A
R
R
D
L
F
G
L
S
V
L
I
R
V
R
L
E
L
R
R
HQRAGH
T
I
P
R
I
F
Q
A
V
-----
V
QRQP
E
R
L
A
L
V
---DAG----TGE
C
W
T
F
A
Q
L
D
A
Y
S
N
A
V
A
N
L
F
R
-
Q
LGFAPG
D
V
V
A
I
F
LEGRP
E
F
V
G
L
W
L
G
L
A
K
AGM
E
A
A
L
L
N
V
NLRRE
P
L
A
F
C
LGTSG
A
K
A
L
I
F------G
G
E
--
M
----
V
A
--
A
V
-
A
E
V
S
----
G
H
----
L
G
-----
K
S
--------
L
I
K
F
CS--GDLGPEGILP-
D
----
T
H
L
L
D
P
L
L
K
EAS---T--A
P
L
A
QIPSKGMDD
R
L
F
Y
I
Y
TSGTTGL
P
K
A
A
I
V
V
HS
R
-
Y
Y
R
M
A
AFG-H
H
A
-
Y
---
R
M
--
Q
A
A
D
V
L
Y
D
------
C
L
P
L
Y
H
SAG
N
I
-
I
G
V
G
Q
C
L
---
I
Y
G
-------
L
T
V
V
L
----
R
K
--K----F
S
---
A
S
R
F
W
D
D
C
I
KY-------N
C
T
V
V
Q
Y
I
G
E
I
C
R
Y
--
L
L
K
Q
P
V
R
E
--
A
--
E
-
R
R
H
----
R
V
R
--
L
--A--VGNG--L
R
P
A
I
W
E
---
E
F
T
E
R
F
G
--
V
R
Q
--
I
G
--
E
F
YGATEC--
N
C
S
I
A-N------MD-----G-----KV--GSC--GFNSRILPHVY
P
I
-
R
L
V
K
V
N
E
D
T
M
E
L
L
R
DAQ
G
L
C
I
PCQA---GEP
G
L
L
V
G
QI---N---QQD
P
L
R
R
F
D
G
Y
VSESA
T
S
K
K
I
A
H
S
V
FSKGDSAYLSG
D
V
L
V
M
DEL
G
Y
M
Y
F
RDRSG
D
T
F
R
WRGENV
S
T
T
E
V
E
G
V
L
S
R
L
LGQT
D
V
A
V
Y
G
V
AVPGVEGKAGMAAVA--
D
-
P
H
S------L----L--
D
P
N
A
I
Y
Q
E
L
Q
----
K
----
V
-
L
A
P
----YA
R
P
---
I
F
L
R
LLPQVDTT
G
T
F
K
I
Q
K
T
R
L
QREGFDPRQTSD
R
L
F
F
L
DLKQGHYLPL
N
E
A
V
Y
T
R
ICSGAFAL
1
PsiBlast_PDB
96.05
26%
-104
- C4 -
3ETC
10
?
A:
[61-559]
-------------------------------------------------------------------------------------
V
V
D
V
Y
-----
A
R
D
S
P
E
K
L
A
M
I
W
C
D
D
Y
G
----
N
E
K
I
F
T
F
K
D
L
K
Y
Y
S
D
K
A
A
N
F
F
V
-
K
H
G
I
G
K
G
D
Y
V
M
L
T
L
K
S
R
Y
D
F
W
Y
C
M
L
G
L
H
K
L
G
A
I
A
V
P
A
T
H
M
L
K
T
R
D
I
V
Y
R
I
E
K
A
G
L
K
M
I
V
C
------
I
A
E
DD
V
----
P
E
--
Q
V
-
D
E
A
H
----
A
E
----
C
G
-----
D
I
--------
P
L
K
K
A
K
V
G
G
D
V
-
L
E
G
W
I
D
---------
F
R
K
E
L
E
E
S
S
PIF
E
--
R
P
T
G
E
V
S
T
K
N
E
D
I
C
L
V
Y
-
F
S
S
G
T
A
G
F
P
K
--
M
V
E
H
D
N
-
T
Y
P
L
G
H
I
L
-
T
A
K
-
Y
---
W
Q
--
N
V
E
D
---
D
------
G
L
---
H
Y
T
V
A
D
-
S
G
W
G
K
C
V
W
G
K
L
Y
G
Q
W
I
A
G
C
A
V
F
V
Y
D
----
Y
D
--
R
----
F
E
---
A
K
N
M
L
E
K
A
S
K
Y
-------
G
V
T
T
F
C
A
P
P
T
I
Y
R
F
--
L
I
K
E
D
L
-------
N
F
S
T
L
----
K
Y
A
--
V
--
V
--
A
G
E
P
--
L
N
P
E
V
F
N
---
R
F
L
E
F
T
G
--
I
K
---
L
M
--
E
G
F
G
Q
T
E
T
--
V
V
T
I
A
-
T
FPW---
M
E
-----
P
-----
K
P
--
G
S
I
--
G
---
K
P
T
P
G
-
Y
K
I
-
E
L
M
D
---------
R
D
G
R
----
L
C
E
V
---
G
E
E
G
E
I
V
I
N
T
---
M
---
E
G
K
P
V
G
L
F
V
H
Y
G
K
D
P
E
R
T
E
E
T
W
H
------
D
G
Y
Y
H
T
G
D
M
A
W
M
D
E
D
G
Y
L
W
F
V
G
R
A
D
D
I
I
K
T
S
G
Y
K
V
G
P
F
E
V
E
S
A
L
I
Q
H
P
A
V
L
E
C
A
I
T
G
V
P
D
P
-
V
R
G
Q
V
I
K
A
T
I
V
--
L
-
T
K
D
------
Y
----
T
--
P
S
D
S
L
K
N
E
L
Q
D
H
V
K
N
----
V
-
T
A
P
----
Y
K
Y
P
---
R
I
I
E
F
V
P
E
--------------------------------------------------------
8
PsiBlast_PDB
93.47
26%
-101
- C4 -
3EQ6
2
ACS2A_HUMAN
A:
[74-557]
------------------------------------------------------------------------------------------------------------------------
W
N
F
R
E
L
S
E
N
S
Q
Q
A
A
N
V
L
S
G
A
C
G
L
Q
R
G
D
R
V
A
V
V
L
P
R
V
P
E
W
W
L
V
I
L
G
C
I
R
A
G
L
I
F
M
P
G
T
I
Q
M
K
S
T
D
I
L
Y
R
L
Q
M
S
K
A
K
A
I
V
A
------
G
D
E
--
V
----
I
Q
--
E
V
-
D
T
V
A
----
S
E
----
C
P
-----
S
L
--------
R
I
K
L
L
V
--
S
E
K
S
C
D
G
W
L
N
---------
F
K
K
L
L
N
E
A
S
---
T
--
T
--
H
H
C
V
E
T
G
S
Q
E
A
S
A
I
Y
F
T
S
G
T
S
G
L
P
K
M
A
E
H
S
Y
S
S
-
L
G
L
K
A
K
M
D
-
A
G
W
-
T
---
G
L
--
Q
A
S
D
I
M
W
T
I
S
DTGW
I
L
N
I
L
C
S
L
M
E
P
-
W
A
L
G
A
C
T
---
F
-----------
V
H
L
----
L
P
--
K
----
F
D
---
P
L
V
I
L
K
T
L
S
S
Y
-------
P
I
K
S
M
M
G
A
P
I
V
Y
R
M
--
L
L
Q
Q
D
L
S
S
--
Y
--
K
-
F
P
H
----
L
Q
N
C
-
V
--
T
--
V
G
E
S
--
L
L
P
E
T
L
E
---
N
W
R
A
Q
T
G
--
L
-
D
--
I
R
--
E
S
Y
G
Q
T
E
T
GL
T
C
M
V
S
K
T
------
M
K
-----
I
-----
K
P
--
G
Y
M
--
G
T
A
A
S
----
C
Y
D
V
-
Q
I
I
D
----------
D
K
G
N
V
L
P
P
G
T
E
---
G
D
I
G
I
R
V
K
P
I
---
R
------
P
I
G
I
F
S
G
Y
V
D
---
N
P
D
K
T
A
A
N
I
--
R
G
D
-
F
W
L
L
G
D
R
G
I
K
D
E
D
G
Y
F
Q
F
M
G
R
A
D
D
I
I
N
S
S
G
Y
R
I
G
P
S
E
V
E
N
A
L
M
E
H
P
A
V
V
E
T
A
V
I
S
S
P
D
P
-
V
R
G
E
V
V
K
A
F
V
V
--
L
-
A
S
Q
------
F
----
L
SH
D
P
E
Q
L
T
K
E
L
Q
----
Q
H
V
K
S
V
-
T
A
P
----
Y
K
Y
P
---
R
K
I
E
F
V
L
N
L
P
K
T
V
T
G
K
I
Q
R
A
K
L
R
D
K
E
W
K
------------------------------------
7
PsiBlast_PDB
93.16
26%
-100
- C4 -
2VZE
1
ACS2A_HUMAN
A:
[74-557]
------------------------------------------------------------------------------------------------------------------------
W
N
F
R
E
L
S
E
N
S
Q
Q
A
A
N
V
L
S
G
A
C
G
L
Q
R
G
D
R
V
A
V
V
L
P
R
V
P
E
W
W
L
V
I
L
G
C
I
R
A
G
L
I
F
M
P
G
T
I
Q
M
K
S
T
D
I
L
Y
R
L
Q
M
S
K
A
K
A
I
V
A
------
G
D
E
--
V
----
I
Q
--
E
V
-
D
T
V
A
----
S
E
----
C
P
-----
S
L
--------
R
I
K
L
L
V
--
S
E
K
S
C
D
G
W
L
N
---------
F
K
K
L
L
N
E
A
S
---
T
--
T
--
H
H
C
V
E
T
G
S
Q
E
A
S
A
I
Y
F
T
S
G
T
S
G
L
P
K
M
A
E
H
S
Y
S
S
-
L
G
L
K
A
K
M
D
-
A
G
W
-
T
---
G
L
--
Q
A
S
D
I
M
W
T
I
S
DTGW
I
L
N
I
L
C
S
L
M
E
P
-
W
A
L
G
A
C
T
---
F
-----------
V
H
L
----
L
P
--
K
----
F
D
---
P
L
V
I
L
K
T
L
S
S
Y
-------
P
I
K
S
M
M
G
A
P
I
V
Y
R
M
--
L
L
Q
Q
D
L
S
S
--
Y
--
K
-
F
P
H
----
L
Q
N
C
-
V
--
T
--
V
G
E
S
--
L
L
P
E
T
L
E
---
N
W
R
A
Q
T
G
--
L
-
D
--
I
R
--
E
S
Y
G
Q
T
E
T
GL
T
C
M
V
S
K
T
------
M
K
-----
I
-----
K
P
--
G
Y
M
--
G
T
A
A
S
----
C
Y
D
V
-
Q
I
I
D
----------
D
K
G
N
V
L
P
P
G
T
E
---
G
D
I
G
I
R
V
K
P
I
---
R
------
P
I
G
I
F
S
G
Y
V
D
---
N
P
D
K
T
A
A
N
I
--
R
G
D
-
F
W
L
L
G
D
R
G
I
K
D
E
D
G
Y
F
Q
F
M
G
R
A
D
D
I
I
N
S
S
G
Y
R
I
G
P
S
E
V
E
N
A
L
M
E
H
P
A
V
V
E
T
A
V
I
S
S
P
D
P
-
V
R
G
E
V
V
K
A
F
V
V
--
L
-
A
S
Q
------
F
----
L
SH
D
P
E
Q
L
T
K
E
L
Q
----
Q
H
V
K
S
V
-
T
A
P
----
Y
K
Y
P
---
R
K
I
E
F
V
L
N
L
P
K
T
V
T
G
K
I
Q
R
A
K
L
R
D
K
E
W
K
------------------------------------
3
PsiBlast_PDB
92.82
26%
-103
- C4 -
2WD9
1
ACS2A_HUMAN
A:
[74-557]
------------------------------------------------------------------------------------------------------------------------
W
N
F
R
E
L
S
E
N
S
Q
Q
A
A
N
V
L
S
G
A
C
G
L
Q
R
G
D
R
V
A
V
V
L
P
R
V
P
E
W
W
L
V
I
L
G
C
I
R
A
G
L
I
F
M
P
G
T
I
Q
M
K
S
T
D
I
L
Y
R
L
Q
M
S
K
A
K
A
I
V
A
------
G
D
E
--
V
----
I
Q
--
E
V
-
D
T
V
A
----
S
E
----
C
P
-----
S
L
--------
R
I
K
L
L
V
--
S
E
K
S
C
D
G
W
L
N
---------
F
K
K
L
L
N
E
A
S
---
T
--
T
--
H
H
C
V
E
T
G
S
Q
E
A
S
A
I
Y
F
T
S
G
T
S
G
L
P
K
M
A
E
H
S
Y
S
S
-
L
G
L
K
A
K
M
D
-
A
G
W
-
T
---
G
L
--
Q
A
S
D
I
M
W
T
I
S
DTGW
I
L
N
I
L
C
S
L
M
E
P
-
W
A
L
G
A
C
T
---
F
-----------
V
H
L
----
L
P
--
K
----
F
D
---
P
L
V
I
L
K
T
L
S
S
Y
-------
P
I
K
S
M
M
G
A
P
I
V
Y
R
M
--
L
L
Q
Q
D
L
S
S
--
Y
--
K
-
F
P
H
----
L
Q
N
C
-
V
--
T
--
V
G
E
S
--
L
L
P
E
T
L
E
---
N
W
R
A
Q
T
G
--
L
-
D
--
I
R
--
E
S
Y
G
Q
T
E
T
GL
T
C
M
V
S
K
T
------
M
K
-----
I
-----
K
P
--
G
Y
M
--
G
T
A
A
----
S
C
Y
D
V
-
Q
I
I
D
----------
D
K
G
N
V
L
P
P
G
T
E
---
G
D
I
G
I
R
V
K
P
I
---
R
------
P
I
G
I
F
S
G
Y
V
D
---
N
P
D
K
T
A
A
N
I
--
R
G
D
-
F
W
L
L
G
D
R
G
I
K
D
E
D
G
Y
F
Q
F
M
G
R
A
D
D
I
I
N
S
S
G
Y
R
I
G
P
S
E
V
E
N
A
L
M
E
H
P
A
V
V
E
T
A
V
I
S
S
P
D
P
-
V
R
G
E
V
V
K
A
F
V
V
--
L
-
A
S
Q
------
F
----
L
SH
D
P
E
Q
L
T
K
E
L
Q
----
Q
H
V
K
S
V
-
T
A
P
----
Y
K
Y
P
---
R
K
I
E
F
V
L
N
L
P
K
T
V
T
G
K
I
Q
R
A
K
L
R
D
K
E
W
K
------------------------------------
5
PsiBlast_PDB
92.69
26%
-104
- C4 -
3C5E
4
ACS2A_HUMAN
A:
[74-557]
------------------------------------------------------------------------------------------------------------------------
W
N
F
R
E
L
S
E
N
S
Q
Q
A
A
N
V
L
S
G
A
C
G
L
Q
R
G
D
R
V
A
V
V
L
P
R
V
P
E
W
W
L
V
I
L
G
C
I
R
A
G
L
I
F
M
P
G
T
I
Q
M
K
S
T
D
I
L
Y
R
L
Q
M
S
K
A
K
A
I
V
A
------
G
D
E
--
V
----
I
Q
--
E
V
-
D
T
V
A
----
S
E
----
C
P
-----
S
L
--------
R
I
K
L
L
V
--
S
E
K
S
C
D
G
W
L
N
---------
F
K
K
L
L
N
E
A
S
---
T
--
T
--
H
H
C
V
E
T
G
S
Q
E
A
S
A
I
Y
F
T
S
G
T
S
G
L
P
K
M
A
E
H
S
Y
S
S
-
L
G
L
K
A
K
M
D
-
A
G
W
-
T
---
G
L
--
Q
A
S
D
I
M
W
T
I
S
D
TGW
I
L
N
I
L
C
S
L
M
E
P
-
W
A
L
G
A
C
T
---
F
-----------
V
H
L
----
L
P
--
K
----
F
D
---
P
L
V
I
L
K
T
L
S
S
Y
-------
P
I
K
S
M
M
G
A
P
I
V
Y
R
M
--
L
L
Q
Q
D
L
S
S
--
Y
--
K
-
F
P
H
----
L
Q
N
C
-
V
--
T
--
V
G
E
S
--
L
L
P
E
T
L
E
---
N
W
R
A
Q
T
G
--
L
-
D
--
I
R
--
E
S
Y
G
Q
T
E
T
GL
T
C
M
V
S
K
T
------
M
K
-----
I
-----
K
P
--
G
Y
M
--
G
T
A
A
S
----
C
Y
D
V
-
Q
I
I
D
----------
D
K
G
N
V
L
P
P
G
T
E
---
G
D
I
G
I
R
V
K
P
I
---
R
------
P
I
G
I
F
S
G
Y
V
D
---
N
P
D
K
T
A
A
N
I
--
R
G
D
-
F
W
L
L
G
D
R
G
I
K
D
E
D
G
Y
F
Q
F
M
G
R
A
D
D
I
I
N
S
S
G
Y
R
I
G
P
S
E
V
E
N
A
L
M
E
H
P
A
V
V
E
T
A
V
I
S
S
P
D
P
-
V
R
G
E
V
V
K
A
F
V
V
--
L
-
A
S
Q
------
F
----
L
SH
D
P
E
Q
L
T
K
E
L
Q
----
Q
H
V
K
S
V
-
T
A
P
----
Y
K
Y
P
---
R
K
I
E
F
V
L
N
L
P
K
T
V
T
G
K
I
Q
R
A
K
L
R
D
K
E
W
K
------------------------------------
4
PsiBlast_PDB
92.65
26%
-101
- C4 -
3B7W
1
ACS2A_HUMAN
A:
[74-557]
------------------------------------------------------------------------------------------------------------------------
W
N
F
R
E
L
S
E
N
S
Q
Q
A
A
N
V
L
S
G
A
C
G
L
Q
R
G
D
R
V
A
V
V
L
P
R
V
P
E
W
W
L
V
I
L
G
C
I
R
A
G
L
I
F
M
P
G
T
I
Q
M
K
S
T
D
I
L
Y
R
L
Q
M
S
K
A
K
A
I
V
A
------
G
D
E
--
V
----
I
Q
--
E
V
-
D
T
V
A
----
S
E
----
C
P
-----
S
L
--------
R
I
K
L
L
V
--
S
E
K
S
C
D
G
W
L
N
---------
F
K
K
L
L
N
E
A
S
---
T
--
T
--
H
H
C
V
E
T
G
S
Q
E
A
S
A
I
Y
F
T
S
G
T
S
G
L
P
K
M
A
E
H
S
Y
S
S
-
L
G
L
K
A
K
M
D
-
A
G
W
-
T
---
G
L
--
Q
A
S
D
I
M
W
T
I
S
DTGW
I
L
N
I
L
C
S
L
M
E
P
-
W
A
L
G
A
C
T
---
F
-----------
V
H
L
----
L
P
--
K
----
F
D
---
P
L
V
I
L
K
T
L
S
S
Y
-------
P
I
K
S
M
M
G
A
P
I
V
Y
R
M
--
L
L
Q
Q
D
L
S
S
--
Y
--
K
-
F
P
H
----
L
Q
N
C
-
V
--
T
--
V
G
E
S
--
L
L
P
E
T
L
E
---
N
W
R
A
Q
T
G
--
L
-
D
--
I
R
--
E
S
Y
G
Q
T
E
T
GL
T
C
M
V
S
K
T
------
M
K
-----
I
-----
K
P
--
G
Y
M
--
G
T
A
A
S
----
C
Y
D
V
-
Q
I
I
D
----------
D
K
G
N
V
L
P
P
G
T
E
---
G
D
I
G
I
R
V
K
P
I
---
R
------
P
I
G
I
F
S
G
Y
V
D
---
N
P
D
K
T
A
A
N
I
--
R
G
D
-
F
W
L
L
G
D
R
G
I
K
D
E
D
G
Y
F
Q
F
M
G
R
A
D
D
I
I
N
S
S
G
Y
R
I
G
P
S
E
V
E
N
A
L
M
E
H
P
A
V
V
E
T
A
V
I
S
S
P
D
P
-
V
R
G
E
V
V
K
A
F
V
V
--
L
-
A
S
Q
------
F
----
L
SH
D
P
E
Q
L
T
K
E
L
Q
----
Q
H
V
K
S
V
-
T
A
P
----
Y
K
Y
P
---
R
K
I
E
F
V
L
N
L
P
K
T
V
T
G
K
I
Q
R
A
K
L
R
D
K
E
W
K
------------------------------------
26
HHSearch
92.32
23%
-105
- C4 -
3C5E
4
ACS2A_HUMAN
A:
[40-562]
----------------------------------------------------------------------------------
A
S
D
V
L
D
H
W
A
D
M
E
K
A
G
K
R
P
P
S
P
A
L
W
---
W
V
N
GKG-
K
E
L
M
W
N
F
R
E
L
S
E
N
S
Q
Q
A
A
N
V
L
S
G
A
C
G
L
Q
R
G
D
R
V
A
V
V
L
P
R
V
P
E
W
W
L
V
I
L
G
C
I
R
A
G
L
I
F
M
P
G
T
I
Q
M
K
S
T
D
I
L
Y
R
L
Q
M
S
K
A
K
A
I
V
A
------
G
D
E
--
V
----
I
Q
--
E
V
-
D
T
V
A
----
S
E
----
C
P
-----
S
L
--------
R
I
K
L
L
V
--
S
E
----
K
S
C
D
-
G
----
W
L
N
F
K
K
L
L
N
E
A
S
---
T
----
T
H
H
C
V
E
T
G
S
Q
E
A
S
A
I
Y
F
T
S
G
T
S
G
L
P
K
M
A
E
H
S
Y
S
S
-
L
G
L
K
A
K
M
D
-
A
G
W
-
T
---
G
L
--
Q
A
S
D
I
M
W
T
------
I
S
D
T
G
W
I
L
N
I
L
-
C
S
L
M
E
P
W
---
A
L
G
-------
A
C
T
F
V
H
L--
L
P
--
K
----
F
D
---
P
L
V
I
L
K
T
L
S
S
Y
-------
P
I
K
S
M
M
G
A
P
I
V
Y
R
M
--
L
L
Q
Q
D
L
S
S
--
Y
----
K
F
P
----
H
L
Q
--
N
C
V
T
--
V
G
E
S
--
L
L
P
E
T
L
E
---
N
W
R
A
Q
T
G
---
L
D
--
I
R
--
E
S
Y
G
Q
T
E
T
--
G
L
T
C
M
-
V
------
S
K
T
M
K
--
I
-----
K
P
--
G
Y
M
--
G
T
------
A
A
S
C
Y
-
D
V
Q
I
I
D
D
-
K
G
----------
N
V
L
P
P
---
G
T
E
G
D
I
G
I
R
V
KP
I
R
---
P
I
G
I
F
S
G
Y
V
D
N
P
D
--
K
T
A
A
N
I
-------
R
G
D
F
W
L
L
G
D
R
G
I
K
D
E
D
G
Y
F
Q
F
M
G
R
A
D
D
I
I
N
S
S
G
Y
R
I
G
P
S
E
V
E
N
A
L
M
E
H
P
A
V
V
E
T
A
V
I
S
S
P
D
P
V
-
R
G
E
V
V
K
A
F
V
V
--
L
-
A
S
Q
FLSHD
P
E
----
Q
--
L
T
K
E
L
Q
Q
H
V
K
----
S
----
V
-
T
A
P
----
Y
K
Y
P
---
R
K
I
E
F
V
L
N
L
P
K
T
V
T
G
K
I
Q
R
A
K
L
R
D
K
E
W
K
------------------------------------
6
PsiBlast_PDB
92.14
26%
-104
- C4 -
3DAY
3
ACS2A_HUMAN
A:
[74-557]
------------------------------------------------------------------------------------------------------------------------
W
N
F
R
E
L
S
E
N
S
Q
Q
A
A
N
V
L
S
G
A
C
G
L
Q
R
G
D
R
V
A
V
V
L
P
R
V
P
E
W
W
L
V
I
L
G
C
I
R
A
G
L
I
F
M
P
G
T
I
Q
M
K
S
T
D
I
L
Y
R
L
Q
M
S
K
A
K
A
I
V
A
------
G
D
E
--
V
----
I
Q
--
E
V
-
D
T
V
A
----
S
E
----
C
P
-----
S
L
--------
R
I
K
L
L
V
--
S
E
K
S
C
D
G
W
L
N
---------
F
K
K
L
L
N
E
A
S
---
T
--
T
--
H
H
C
V
E
T
G
S
Q
E
A
S
A
I
Y
F
T
S
G
T
S
G
L
P
K
M
A
E
H
S
Y
S
S
-
L
G
L
K
A
K
M
D
-
A
G
W
-
T
---
G
L
--
Q
A
S
D
I
M
W
T
I
S
D
TGW
I
L
N
I
L
C
S
L
M
E
P
-
W
A
L
G
A
C
T
---
F
-----------
V
H
L
----
L
P
--
K
----
F
D
---
P
L
V
I
L
K
T
L
S
S
Y
-------
P
I
K
S
M
M
G
A
P
I
V
Y
R
M
--
L
L
Q
Q
D
L
S
S
--
Y
--
K
-
F
P
H
----
L
Q
N
C
-
V
--
T
--
V
G
E
S
--
L
L
P
E
T
L
E
---
N
W
R
A
Q
T
G
--
L
-
D
--
I
R
--
E
S
Y
G
Q
T
E
T
GL
T
C
M
V
S
K
T
------
M
K
-----
I
-----
K
P
--
G
Y
M
--
G
T
A
A
S
----
C
Y
D
V
-
Q
I
I
D
----------
D
K
G
N
V
L
P
P
G
T
E
---
G
D
I
G
I
R
V
K
P
I
---
R
------
P
I
G
I
F
S
G
Y
V
D
---
N
P
D
K
T
A
A
N
I
--
R
G
D
-
F
W
L
L
G
D
R
G
I
K
D
E
D
G
Y
F
Q
F
M
G
R
A
D
D
I
I
N
S
S
G
Y
R
I
G
P
S
E
V
E
N
A
L
M
E
H
P
A
V
V
E
T
A
V
I
S
S
P
D
---
R
G
E
V
V
K
A
F
V
V
--
L
-
A
S
Q
------
F
----
L
SH
D
P
E
Q
L
T
K
E
L
Q
----
Q
H
V
K
S
V
-
T
A
P
----
Y
K
Y
P
---
R
K
I
E
F
V
L
N
L
P
K
T
V
T
G
K
I
Q
R
A
K
L
R
D
K
E
W
K
------------------------------------
9
PsiBlast_PDB
91.34
26%
-105
- C4 -
3GPC
1
ACS2A_HUMAN
A:
[74-557]
------------------------------------------------------------------------------------------------------------------------
W
N
F
R
E
L
S
E
N
S
Q
Q
A
A
N
V
L
S
G
A
C
G
L
Q
R
G
D
R
V
A
V
V
L
P
R
V
P
E
W
W
L
V
I
L
G
C
I
R
A
G
L
I
F
M
P
G
T
I
Q
M
K
S
T
D
I
L
Y
R
L
Q
M
S
K
A
K
A
I
V
A
------
G
D
E
--
V
----
I
Q
--
E
V
-
D
T
V
A
----
S
E
----
C
P
-----
S
L
--------
R
I
K
L
L
V
--
S
E
K
S
C
D
G
W
L
N
---------
F
K
K
L
L
N
E
A
S
---
T
--
T
--
H
H
C
V
E
T
G
S
Q
E
A
S
A
I
Y
F
T
S
G
--
G
L
P
K
M
A
E
H
S
Y
S
S
-
L
G
L
K
A
K
M
D
-
A
G
W
-
T
---
G
L
--
Q
A
S
D
I
M
W
T
I
S
DTGW
I
L
N
I
L
C
S
L
M
E
P
-
W
A
L
G
A
C
T
---
F
-----------
V
H
L
----
L
P
--
K
----
F
D
---
P
L
V
I
L
K
T
L
S
S
Y
-------
P
I
K
S
M
M
G
A
P
I
V
Y
R
M
--
L
L
Q
Q
D
L
S
S
--
Y
--
K
-
F
P
H
----
L
Q
N
C
-
V
--
T
--
V
G
E
S
--
L
L
P
E
T
L
E
---
N
W
R
A
Q
T
G
--
L
-
D
--
I
R
--
E
S
Y
G
Q
T
E
T
GL
T
C
M
V
S
K
T
------
M
K
-----
I
-----
K
P
--
G
Y
M
--
G
T
A
A
S
----
C
Y
D
V
-
Q
I
I
D
----------
D
K
G
N
V
L
P
P
G
T
E
---
G
D
I
G
I
R
V
K
P
I
---
R
------
P
I
G
I
F
S
G
Y
V
D
---
N
P
D
K
T
A
A
N
I
--
R
G
D
-
F
W
L
L
G
D
R
G
I
K
D
E
D
G
Y
F
Q
F
M
G
R
A
D
D
I
I
N
S
S
G
Y
R
I
G
P
S
E
V
E
N
A
L
M
E
H
P
A
V
V
E
T
A
V
I
S
S
P
D
P
-
V
R
G
E
V
V
K
A
F
V
V
--
L
-
A
S
Q
------
F
----
L
SH
D
P
E
Q
L
T
K
E
L
Q
----
Q
H
V
K
S
V
-
T
A
P
----
Y
K
Y
P
---
R
K
I
E
F
V
L
N
L
P
K
T
V
T
G
K
I
Q
R
A
K
L
R
D
K
E
W
K
------------------------------------
37
HHSearch
89.93
24%
-99
- C4 -
1T5H
-
?
X:
[2-502]
--------------------------------------------------------------------------------
Q
T
V
N
E
M
L
R
R
A
-----
A
T
R
A
P
D
H
C
A
L
A
---
V
P
A
----
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
R
P
Q
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
H
A
--
G
SS
L
-
K
L
D
----
S
L
R
--
H
VT
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
I
G
G
----------
G
V
D
E
I
V
A
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
E
------
T
----
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
V
S
-------------------------------------
14
PsiBlast_PDB
89.89
25%
-92
- C4 -
4FUQ
6
?
A:
[8-496]
------------------------------------------------------------------------------------
R
L
F
D
K
L
-------
D
D
P
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
L
Q
V
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
R
L
T
--
K
--
E
-
T
T
G
----
H
M
R
--
L
--
F
--
I
-
S
G
--
S
A
P
L
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
PY
D
G
D
R
V
P
-----
G
-----
A
V
--
G
P
A
LP
G
V
S
A
R
-----------
V
T
D
P
E
T
G
K
E
L
P
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
-
K
G
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
R
E
T
Y
K
D
I
Y
K
---------------------------------
2
PsiBlast_PDB
88.62
24%
-96
- C4 -
3R44
1
FAC13_MYCTU
A:
[29-510]
--------------------------------------------------------------------------------------------------
S
P
R
L
Q
A
Y
V
---
E
P
S
----
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
A
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
G
-
V
I
R
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
R
E
Q
Y
S
A
T
V
P
---------------------------------
49
Fugue
88.22
19%
-86
- C4 -
1PG4
5
ACSA_SALTY
A:
[5-647]
HKH
A
I
P
A
N
I
A
D
R
C
L
I
N
P
E
Q
Y
E
T
K
Y
K
Q
S
I
N
D
P
D
T
F
W
G
E
Q
G
K
I
L
D
W
IT
P
Y
Q
K
V
K
N
T
S
F
A
P
G
N
V
S
I
K
W
Y
E
D
G
T
L
N
L
A
A
N
C
L
D
R
H
L
Q
E
N
G
D
R
T
A
-----
I
I
W
E
G
D
--------
D
T
S
----
Q
S
K
H
I
S
Y
R
E
L
H
R
D
V
C
R
F
A
N
T
L
L
-
D
L
G
I
K
K
G
D
V
V
A
I
Y
M
P
M
V
P
E
A
A
V
A
M
L
A
C
A
R
I
G
A
V
H
S
V
I
F
G
G
F
S
P
E
A
V
A
G
C
I
I
D
S
S
S
R
L
V
I
T
A
D
E
G
V
R
A
G
R
--
S
----
I
P
--
L
K
-
K
N
V
D
----
D
A
----
L
K
-----
N
P
NVTSVE
H
V
I
V
L
K
R
T
--
G
S
D
I
D
W
Q
E
G
R
-
D
----
L
W
W
R
D
L
I
E
K
A
S
P
---
E
--
H
Q
P
E
A
M
N
A
---
E
D
P
L
F
I
L
Y
T
S
G
S
T
G
K
P
K
G
V
L
H
T
T
G
G
-
Y
L
V
Y
A
A
T
T
-
F
K
Y
V
F
---
D
Y
--
H
P
G
D
I
Y
W
C
------
T
A
D
V
G
W
V
T
G
H
S
-
Y
L
L
Y
G
P
L
---
A
C
G
-------
A
T
T
L
M
F
EGV
P
N
--
W
----
P
T
---
P
A
R
M
C
Q
V
V
D
K
H
-------
Q
V
N
I
L
Y
T
A
P
T
A
I
R
A
--
L
M
A
E
G
D
K
A
--
I
--
E
-
G
T
D
RSSL
R
I
L
--
G
--
S
--
V
G
E
P
--
I
N
P
E
A
W
E
---
W
Y
W
K
K
I
G
--
K
E
K
C
P
V
V
--
D
T
W
W
Q
T
E
T
--
G
G
F
M
I
-
T
P
L
PGA-
I
E
-----
L
-----
K
A
--
G
S
A
--
T
R
P
------
F
F
G
V
-
Q
P
A
L
V
D
N
E
G
H
-----------
P
Q
E
G
---
A
T
E
G
N
L
V
I
T
D
---
S
---
W
P
G
Q
A
R
T
L
F
G
------
D
H
E
R
F
E
Q
T
Y
F
S
T
F
K
N
M
Y
F
S
G
D
G
A
R
R
D
E
D
G
Y
Y
W
I
T
G
R
V
D
D
V
L
N
V
S
G
H
R
L
G
T
A
E
I
E
S
A
L
V
A
H
P
K
I
A
E
A
A
V
V
G
I
P
H
A
-
I
K
G
Q
A
I
Y
A
Y
V
T
--
L
-
N
H
G
------
E
----
E
--
P
S
P
E
L
Y
A
E
V
R
----
N
----
W
-
V
R
K
E
IGP
L
A
T
P
---
D
V
L
H
W
T
D
S
L
P
K
T
R
S
G
K
I
M
R
R
I
L
R
K
I
A
A
G
D
A
D
P
G
V
V
E
K
L
L
E
E
K
Q
A
--------------------
21
HHSearch
88.06
22%
-89
- C4 -
1PG4
5
ACSA_SALTY
A:
[77-622]
---------------------------------------------------------------------------------
L
A
A
N
C
L
D
R
H
-----
L
Q
E
N
G
D
R
T
A
I
I
---
W
E
G
DDTS
Q
S
K
H
I
S
Y
R
E
L
H
R
D
V
C
R
F
A
N
T
L
L
-
D
L
G
I
K
K
G
D
V
V
A
I
Y
M
P
M
V
P
E
A
A
V
A
M
L
A
C
A
R
I
G
A
V
H
S
V
I
F
G
G
F
S
P
E
A
V
A
G
C
I
I
D
S
S
S
R
L
V
I
T
------
A
D
E
--
G
----
V
R
--
A
G
-
R
S
I
P
L
K
--
K
N
V
D
D
A
L
K
NPNVT
S
V
E-------
H
V
I
V
L
K
--
R
T
G
S
D
I
D
W
Q
E
G
R
----
D
L
W
W
R
D
L
I
E
K
A
S
-------
P
E
H
Q
P
E
A
M
N
A
E
D
P
L
F
I
L
Y
T
S
G
S
T
G
K
P
K
G
V
L
H
T
T
G
G
-
Y
L
V
Y
A
A
T
T
F
K
Y
V
-
F
---
D
Y
--
H
P
G
D
I
Y
W
C
------
T
A
D
V
G
W
V
T
G
H
S
-
Y
L
L
Y
G
P
L
---
A
C
G
-------
A
T
T
L
M
----
F
E
--
G
VPNW
P
T
---
P
A
R
M
C
Q
V
V
D
K
H
-------
Q
V
N
I
L
Y
T
A
P
T
A
I
R
A
--
L
M
A
E
G
D
K
A
IE
G
--
T
-
D
R
S
----
S
L
R
--
I
L
G
S
--
V
G
E
P
--
I
N
P
E
A
W
E
---
W
Y
W
K
K
I
G
KE
K
C
P
--
V
V
--
D
T
W
W
Q
T
E
T
--
G
G
F
M
I
-
T
------
P
L
PGA
I
E
L
-----
K
A
--
G
S
A
--
T
------
R
P
F
F
G
V
-
Q
P
A
L
V
D
N
E
-
G
----------
H
P
Q
E
G
---
A
T
E
G
N
L
V
I
T
D
---
S
---
W
P
G
Q
A
R
T
L
F
G
D
H
E
--
R
F
E
----
Q
T
Y
F
S
T
F
K
N
M
Y
F
S
G
D
G
A
R
R
D
E
D
G
Y
Y
W
I
T
G
R
V
D
D
V
L
N
V
S
G
H
R
L
G
T
A
E
I
E
S
A
L
V
A
H
P
K
I
A
E
A
A
V
V
G
I
P
H
A
I
-
K
G
Q
A
I
Y
A
Y
V
T
--
L
-
N
H
G
------
E
E
P
S
P
E
--
L
Y
A
E
V
R
N
W
V
R
----
K
----
E
-
I
G
P
----
L
A
T
P
---
D
V
L
H
W
T
D
S
L
P
K
T
R
S
G
K
I
M
R
R
I
L
R
K
I
A
A
G
D
A
D
P
G
V
V
E
K
L
L
E
E
K
Q
A
--------------------
35
HHSearch
87.71
24%
-103
- C4 -
3R44
1
FAC13_MYCTU
A:
[15-512]
-------------------------------------------------------------------------------
M
K
N
I
G
W
M
L
R
Q
R
-----
A
T
V
S
P
R
L
Q
A
Y
V
---
E
P
S
----
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
A
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
EDALR
K
A
--
G
S
A
--
G
R
------
A
T
M
F
T
-
D
V
A
V
R
G
D
---------
D
G
V
---
I
R
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
R
E
Q
Y
S
A
T
V
P
---------------------------------
15
PsiBlast_PDB
87.42
23%
-90
- C4 -
4EAT
3
?
A:
[26-521]
--------------------------------------------------------------------------------------------------
R
P
D
K
T
A
F
V
---
D
D
I
----
S
--
S
L
S
F
A
Q
L
E
A
Q
T
R
Q
L
A
A
A
L
R
-
A
I
G
V
K
R
E
E
R
V
L
L
L
M
L
D
G
T
D
W
P
V
A
F
L
G
A
I
Y
A
G
I
V
P
V
A
V
N
T
L
L
T
A
D
D
Y
A
Y
M
L
E
H
S
R
A
Q
A
V
L
V
------
S
G
A
--
L
H
P
V
L
K
A
--
A
L
-
T
K
S
D
----
H
E
----
V
Q
-----
R
V
--------
I
V
S
R
P
A
--
A
P
L
E
P
G
E
V
------------
D
F
A
E
F
V
G
A
---
H
--
A
P
L
E
K
P
A
A
T
Q
A
D
D
P
A
F
W
L
Y
S
S
G
S
T
G
R
P
K
G
V
V
H
T
H
A
N
P
Y
W
T
S
E
L
Y
G
-
R
N
T
-
L
---
H
L
--
R
E
D
D
V
C
F
S
------
A
A
K
L
F
F
A
-----
Y
G
L
G
N
A
L
---
T
F
P
-------
M
T
V
G
A
----
T
T
--
L
----
L
M
---
G
E
R
P
T
P
D
A
V
F
K
R
W
L
GGVG
G
V
K
P
T
V
F
Y
G
A
P
T
G
Y
A
G
M
L
A
A
P
N
L
P
--
S
--
R
-
D
Q
V
----
A
L
R
--
L
--
A
S
S
A
G
E
A
--
L
P
A
E
I
G
Q
---
R
F
Q
R
H
F
G
--
L
-
D
--
I
V
--
D
G
I
G
S
T
E
M
L-
H
I
F
L
S
-
N
------
L
P
-----
D
-----
R
V
R
Y
G
T
T
--
G
---------
W
P
V
-
P
G
Y
Q
I
-----
E
L
R
G
D
G
G
G
---
P
V
A
D
---
G
E
P
G
D
L
Y
I
H
G
---
P
---
S
S
A
T
M
-----
Y
W
G
N
R
A
K
S
R
D
T
F
Q
G
G
W
T
K
------
S
G
D
K
Y
V
R
N
D
D
G
S
Y
T
Y
A
G
R
T
D
D
M
L
K
V
S
G
I
Y
V
S
P
F
E
I
E
A
T
L
V
Q
H
P
G
V
L
E
A
A
V
V
G
V
A
D
E
H
G
L
T
K
P
K
A
Y
V
V
P
--
R
-
P
G
Q
------
T
----
L
--
S
E
T
E
L
K
T
F
I
K
----
D
----
R
-
L
A
P
----
Y
K
Y
P
---
R
S
T
V
F
V
A
E
L
P
K
T
A
T
G
K
I
Q
R
F
K
L
-
R
E
G
V
L
------------------------------------
33
HHSearch
87.41
19%
-93
- C4 -
1MDB
2
DHBE_BACSU
A:
[24-530]
-------------------------------------------------------------------------------
G
E
T
F
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
Q
Q
K
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
S
P
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
D
R
D
V
K
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
I
S
E
K
L
L
A
G
-------------------------------
47
Fugue
87.35
18%
-108
- C4 -
1AMU
2
GRSA_ANEMI
A:
[17-530]
---------------------------------------------------------
G
T
H
E
E
E
Q
Y
L
F
A
V
N
N
T
K
A
E
Y
P
-
R
D
K
T
I
H
Q
L
F
E
E
Q
-----
V
S
K
R
P
N
N
V
A
I
V
---
C
E
------
N
E
Q
L
T
Y
H
E
L
N
V
K
A
N
Q
L
A
R
I
F
I
-
E
K
G
I
G
K
D
T
L
V
G
I
M
M
E
K
S
I
D
L
F
I
G
I
L
A
V
L
K
A
G
G
A
Y
V
P
I
D
I
E
Y
P
K
E
R
I
Q
Y
I
L
D
D
S
Q
A
R
M
L
L
T
------
Q
K
H
--
L
----
V
H
--
L
I
-
H
N
I
------
Q
----
F
N
------
G
--------
Q
V
E
I
F
E
--
E
D
----------------
T
I
K
I
R
--------
E
--
G
T
N
L
H
-
V
P
S
K
S
T
-
D
L
A
Y
V
I
Y
T
S
----
P
K
G
T
M
L
E
H
K
G
-
I
S
N
L
K
V
F
F
-
E
N
---SLN-
V
--
T
E
K
D
R
I
G
Q
------
F
A
S
I
S
F
D
A
S
-
V
-
W
E
M
F
M
A
L
---
L
T
G
-------
A
S
L
Y
I
I
L
K
-
D
T
--
I
----
N
D
---
F
V
K
F
E
Q
Y
I
N
Q
K
-------
E
I
T
V
I
T
L
P
P
T
Y
V
V
H
--
L
----
D
P
E
--
R
--
I
---
L
----
S
I
Q
--
T
--
L
--
I
T
A
G
S
A
T
S
P
S
L
V
N
---
K
W
K
E
K
V
-----
T
--
Y
I
--
N
A
Y
G
P
T
E
T
--
T
I
C
A
T
-
T
------
W
V
-----
A
-----
T
K
--
E
T
I
--
G
H
S
V
P
I
G
A
P
I
Q
N
T
-
Q
I
Y
I
V
D
E
-
N
L
Q
----------
L
K
S
V
---
G
E
A
G
E
L
C
--
I
---
G
---
G
E
G
L
A
R
G
Y
W
K
--
R
P
E
L
T
S
Q
K
F
V
D
N
P
F
V
P
G
E
K
L
Y
K
T
G
D
Q
A
R
W
L
S
D
G
N
I
E
Y
L
G
R
I
D
N
Q
V
K
I
R
G
H
R
V
E
L
E
E
V
E
S
I
L
L
K
H
M
Y
I
S
E
T
A
V
S
V
H
K
D
H
Q
E
Q
P
Y
L
C
A
Y
F
V
S
--
E
---
K
------
H
----
I
--
P
L
E
Q
L
R
Q
F
S
S
----
E
----
E
-
L
P
T
----
Y
M
I
P
S---
Y
F
I
Q
L
D
K
M
P
L
T
S
N
G
K
I
D
R
K
Q
L
P
E
P
D
L
T
F
-----------------------------------
24
HHSearch
87.32
22%
-100
- C4 -
3ETC
10
?
A:
[56-559]
--------------------------------------------------------------------------------
N
F
A
Y
D
V
V
D
V
Y
-----
A
R
D
S
P
E
K
L
A
M
I
---
W
C
D
DYG-
N
E
K
I
F
T
F
K
D
L
K
Y
Y
S
D
K
A
A
N
F
F
V
-
K
H
G
I
G
K
G
D
Y
V
M
L
T
L
K
S
R
Y
D
F
W
Y
C
M
L
G
L
H
K
L
G
A
I
A
V
P
A
T
H
M
L
K
T
R
D
I
V
Y
R
I
E
K
A
G
L
K
M
I
V
C
------
I
A
E
--
D
----
D
V
P
E
Q
V
-
D
E
A
H
----
A
E
----
C
G
-----
D
I
--------
P
L
K
K
A
K
--
V
---
G
G
D
V
L
E
-
G
----
W
I
D
F
R
K
E
L
E
E
S
S
---
P
IF
E
R
P
T
G
E
V
S
T
K
N
E
D
I
C
L
V
Y
F
S
S
G
T
A
G
F
P
K
M
V
E
H
D
N
T
Y
-
P
L
G
H
I
L
T
A
-
K
Y
W
-
Q
---
N
V
--
E
D
D
G
L
H
Y
T
------
V
A
D
S
G
W
G
K
C
V
W
-
G
K
L
Y
G
Q
W
---
I
A
G
-------
C
A
V
F
V
----
Y
D
YD
R
----
F
E
---
A
K
N
M
L
E
K
A
S
K
Y
-------
G
V
T
T
F
C
A
P
P
T
I
Y
R
F
--
L
I
K
E
D
L
---------
N
F
S
----
T
L
K
--
Y
A
V
V
--
A
G
E
P
--
L
N
P
E
V
F
N
---
R
F
L
E
F
T
G
---
I
K
--
L
M
--
E
G
F
G
Q
T
E
T
--
V
V
T
I
A
-
T
------
F
P
-----
W
-----
M
E
-------
P
K
P
G
S
I
G
K
P
T
P
G
Y
-
K
I
E
L
M
D
R
D
-
G
----------
R
L
C
E
V
---
G
E
E
G
E
I
V
I
N
T
---
M
EGK
P
V
G
L
F
V
H
Y
G
K
D
P
E
--
R
T
E
E
T
W
-------
H
D
G
Y
Y
H
T
G
D
M
A
W
M
D
E
D
G
Y
L
W
F
V
G
R
A
D
D
I
I
K
T
S
G
Y
K
V
G
P
F
E
V
E
S
A
L
I
Q
H
P
A
V
L
E
C
A
I
T
G
V
P
D
P
V
-
R
G
Q
V
I
K
A
T
I
V
--
L
-
T
K
D
Y
T
P
S
--
D
----
S
--
L
K
N
E
L
Q
D
H
V
K
----
N
----
V
-
T
A
P
----
Y
K
Y
P
---
R
I
I
E
F
V
P
E
--------------------------------------------------------
42
HHSearch
86.38
20%
-101
- C4 -
1AMU
2
GRSA_ANEMI
A:
[38-529]
-------------------------------------------------------------------------------
D
K
T
I
H
Q
L
F
E
E
Q
-----
V
S
K
R
P
N
N
V
A
I
V
---
C
E
------
N
E
Q
L
T
Y
H
E
L
N
V
K
A
N
Q
L
A
R
I
F
I
-
E
K
G
I
G
K
D
T
L
V
G
I
M
M
E
K
S
I
D
L
F
I
G
I
L
A
V
L
K
A
G
G
A
Y
V
P
I
D
I
E
Y
P
K
E
R
I
Q
Y
I
L
D
D
S
Q
A
R
M
L
L
T
------
Q
K
H
--
L
----
V
H
--
L
I
-
H
N
I
Q
----
F
N
------------
G
--------
Q
V
E
I
F
E
-------
E
D
-----------
T
I
K
--
I
R
E
-
G
--------
T
N
L
H
V
P
S
K
S
T
D
L
A
Y
V
I
Y
T
S
-----
P
K
G
T
M
L
E
H
K
G
-
I
S
N
L
K
V
F
F
-
E
N
S
-
L
---
N
V
--
T
E
K
D
R
I
G
Q
------
F
A
S
I
S
F
D
A
S
V
--
W
E
M
F
M
A
L
---
L
T
G
-------
A
S
L
Y
I
----
I
L
--
K
----
D
T
I
N
D
F
V
K
F
E
Q
Y
I
N
Q
K
-------
E
I
T
V
I
T
L
P
P
T
Y
V
V
H
--
L
D
P
E
-----------
R
I
L
----
S
I
Q
T
L
I
--
T
--
A
G
S
A
--
T
S
P
S
L
V
N
---
K
W
K
E
K
-----
V
T
--
Y
I
--
N
A
Y
G
P
T
E
T
--
T
I
C
A
T
-
T
------
W
V
-----
A
-----
T
K
--
E
T
I
--
G
H
S
V
P
I
G
A
P
I
Q
N
T
-
Q
I
Y
I
V
D
E
-
N
L
----------
Q
L
K
S
V
---
G
E
A
G
E
L
C
--
I
---
G
---
G
E
G
L
A
R
G
Y
W
K
R
P
E
--
L
T
S
Q
K
F
V
D
N
P
F
V
P
G
E
K
L
Y
K
T
G
D
Q
A
R
W
L
S
D
G
N
I
E
Y
L
G
R
I
D
N
Q
V
K
I
R
G
H
R
V
E
L
E
E
V
E
S
I
L
L
K
H
M
Y
I
S
E
T
A
V
S
V
H
K
D
H
Q
-
E
Q
P
Y
L
C
A
Y
F
V
--
S
--
E
K
------
H
----
I
--
P
L
E
Q
L
R
Q
F
S
S
----
E
----
E
-
L
P
T
----
Y
M
I
P
---
S
Y
F
I
Q
L
D
K
M
P
L
T
S
N
G
K
I
D
R
K
Q
L
P
E
P
D
L
T
F
-----------------------------------