@TOME V2.3
(Nov 2016)
Ref.
-
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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 : Rv0166: (2016-04-20 )
MTAQLASHLTRALTLAQQQPYLARRQNWVNQLERHAMMQPDAPALRFVGNTMTWADLRRRVAALAGALSGRGVGFGDRVMILMLNRTEFVESVLAANMIGAIAVPLNFRLTPTEIAVLVEDCVAHVMLTEAALAPVAIGVRNIQPLLSVIVVAGGSSQDSVFGYEDLLNEAGDVHEPVDIPNDSPALIMYTSGTTGRPKGAVLTHANLTGQAMTALYTSGANINSDVGFVGVPLFHIAGIGNMLTGLLLGLPTVIYPLGAFDPGQLLDVLEAEKVTGIFLVPAQWQAVCTEQQARPRDLRLRVLSWGAAPAPDALLRQMSATFPETQILAAFGQTEMSPVTCMLLGEDAIAKRGSVGRVIPTVAARVVDQNMNDVPVGEVGEIVYRAPTLMSCYWNNPEATAEAFAGGWFHSGDLVRMDSDGYVWVVDRKKDMIISGGENIYCAELENVLASHPDIAEVAVIGRADEKWGEVPIAVAAVTNDDLRIEDLGEFLTDRLARYKHPKALEIVDALPRNPAGKVLKTELRLRYGACVNVERRSASAGFTERRENRQKL
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.-...-...500.......510.......520.......530.......540.......550..
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
T
A
Q
L
A
S
H
L
T
R
A
L
T
L
A
Q
QQ
P
Y
L
A
R
R
Q
N
W
V
N
Q
-
L
E
R
H
AMMQPDA
P
A
L
R
F--VGNTM
T
W
A
D
L
R
R
R
V
A
A
L
A
G
ALSGRGVGFG
D
R
V
M
I
L
M
L
N
R
T
E
F
V
E
S
V
L
A
A
NM
I
G
A
I
A
V
P
L
N
FRL
T
P
T
E
I
A
V
L
V
E
D
C
V
A
H
V
M
L
T
E
AAL
A
P
V
--
A
I
G
V
R
-
N
I
Q
P
L
-
L
S
V
I
VVAGGSSQDSVF
G
Y
E
D
L
L
N
--EAGDVHEP-VDIPN----D---S
P
A
L
I
M
YTSGTTGRPK
G
A
V
L
T
HAN--LT
G
Q
A
M
T
A
L
YTSGANI----N-SDVGFVG
V
-
P
L
F
H
IA
G
I
-
G
N
-
M
L
T
-
G
L
L
LG
L
P
T
V
I
Y
-----PLGAF
D
P
G
Q
L
L
D
V
L
E
AEK
V
T
G
I
F
L
VPA
Q
W
Q
A
V
C
T
EQQARPR
D
-
L
-
R
-
L
---
R
V
L
SWGAAPA
P
D
A
L
L
R
Q
M
S
AT-FPE
T
Q
I
L
AAFGQTEMS
P
V
T
C
M
---------
L
LG---
E
D
A
I
AKRGSVG
R
--
V
I
P
T
V
A
A
R
V
V
DQNMN-DVPV--
G
E
V
G
E
I
V
YRAP-
T
L
M
S
C
YWN
N
P
E
A
T
A
E
A
F
-A-GGWFHSG
D
L
V
R
MDSD
G
Y
V
W
V
VDRKK
D
M
I
ISGG
E
N
I
Y
C
A
E
L
E
N
V
L
ASHPDI
A
E
V
A
V
IGRADEKWGE-V
P
I
A
-
V
A
A
VTNDD----L----
R
I
E
D
-
L
G
E
F
L
-
T
D
R
-
L
A
RYKHP
K
A
L
E
I
V
D
ALPRNPAG
K
V
L
K
T
E
L
R
L
R
YG
A
C
V
N
V
E
RRSASAG
F
T
E
R
R
ENRQKL
49
HHSearch
90.71
34%
-110
- C3 -
3R44
2
FAC13_MYCTU
A:
[12-513]
---------------------
D
D
K
M
K
N
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
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
-----------------------
5
PsiBlast_PDB
89.87
32%
-116
- C3 -
1ULT
1
LCFCS_THET8
A:
[49-534]
-------------------------------------------------------
T
Y
A
E
V
Y
Q
R
A
R
R
L
M
G
G
L
R
A
L
G
V
G
V
G
D
R
V
A
T
L
G
F
N
H
F
R
H
L
E
A
Y
F
A
V
P
G
M
G
A
V
L
H
T
A
N
P
R
L
S
P
K
E
I
A
Y
I
L
N
H
A
E
D
K
V
L
L
F
D
P
N
L
L
P
L
--
V
E
A
I
R
-
G
E
L
K
T
-
V
Q
H
F
V
V
M
D
E
K
A
P
E
G
Y
L
A
Y
E
E
A
L
G
--
E
E
A
D
---
P
-
V
R
V
P
E
----
R
---
A
A
C
G
M
A
Y
T
T
G
T
T
G
L
P
K
G
V
V
Y
S
H
R
A
--
L
V
L
H
S
L
A
A
S
L
V
D
G
T
A
L
----
S
E
K
D
V
V
L
P
V
V
-
P
M
F
H
V
N
A
W
-
C
L
-
P
Y
A
-
A
T
L
V
G
A
K
Q
V
L
------
P
G
P
R
L
D
P
A
S
L
V
E
L
F
D
G
E
G
V
T
F
T
A
G
V
P
T
V
W
L
A
L
A
D
Y
L
E
S
T
G
H
R
-
L
-
K
T
L
---
R
R
L
V
V
G
G
S
A
A
P
R
S
L
I
A
R
F
E
R
M
---
G
V
E
V
R
Q
G
Y
G
L
T
E
T
S
P
V
V
V
Q
N
F
V
K
SHLES
L
S
E
---
E
E
K
L
T
L
K
A
K
T
G
L
--
P
I
P
L
V
R
L
R
V
A
D
E
E
G
R
-
P
V
P
K
DG
K
A
L
G
E
V
Q
L
K
G
P
-
W
I
T
G
G
Y
Y
G
N
E
E
A
T
R
S
A
L
-
T
P
D
G
F
F
R
T
G
D
I
A
V
W
D
E
E
G
Y
V
E
I
K
D
R
L
K
D
L
I
K
S
G
G
E
W
I
S
S
V
D
L
E
N
A
L
M
G
H
P
K
V
K
E
A
A
V
V
A
I
P
H
P
K
W
Q
E
-
R
P
L
A
-
V
V
V
P
R
G
E
K
----
P
----
T
P
E
E
-
L
N
E
H
L
-
L
K
A
G
F
A
K
W
Q
L
P
D
A
Y
V
F
A
E
E
I
P
R
T
S
A
G
K
F
L
K
R
A
L
R
E
Q
Y
-------------------------
8
PsiBlast_PDB
89.22
31%
-111
- C3 -
3NI2
4
?
A:
[47-530]
---------------------------------------------------
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
Q
Q
G
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
G
D
N
P
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
D
L
D
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
FAK
E
P
F
D
I
K
P
G
A
C
G
T
--
V
V
R
N
A
E
M
K
I
V
D
P
E
T
G
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
K
S
----
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
----------------------------
1
PsiBlast_PDB
89.02
36%
-114
- C3 -
3R44
2
FAC13_MYCTU
A:
[44-515]
------------------------------------------------------
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
AT
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
---------------------
7
PsiBlast_PDB
88.92
31%
-109
- C3 -
3A9V
1
?
A:
[47-530]
---------------------------------------------------
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
Q
Q
G
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
G
D
N
P
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
D
L
D
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
FAK
E
P
F
D
I
K
P
G
A
C
G
T
--
V
V
R
N
A
E
M
K
I
V
D
P
E
T
G
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
K
S
----
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
----------------------------
4
PsiBlast_PDB
88.40
31%
-111
- C3 -
5BUS
3
MENE_BACSU
A:
[5-480]
----------------------
T
E
Q
P
N
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
K
----------------------------
23
PsiBlast_CBE
87.19
31%
-122
- C3 -
5BUQ
2
MENE_BACSU
B:
[5-480]
----------------------
T
E
Q
P
N
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
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
---
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
K
----------------------------
3
PsiBlast_PDB
86.49
31%
-109
- C3 -
5BUR
9
MENE_BACSU
A:
[5-480]
----------------------
T
E
Q
P
N
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
--
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
K
----------------------------
17
PsiBlast_PDB
85.94
29%
-110
- C3 -
3CW9
5
?
A:
[2-498]
-------------------------
Q
T
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
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
G
-----
R
Q
V
-
A
D
A
I
F
Q
S
G
S
G
A
R
I
I
F
L
G
--
D
L
V
R
DG
E
P
Y
S
Y
G
P
P
-
I
E
D
P
Q
----
R
EPA
Q
P
A
F
I
F
Y
T
S
G
T
T
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
R
H
----
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
S
S
-
L
-
K
-
L
DSL
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
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
-----------------------------
18
PsiBlast_PDB
85.44
29%
-112
- C3 -
3DLP
1
?
X:
[2-498]
-------------------------
Q
T
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
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
G
-----
R
Q
V
-
A
D
A
I
F
Q
S
G
S
G
A
R
I
I
F
L
G
--
D
L
V
R
DG
E
P
Y
S
Y
G
P
P
-
I
E
D
P
Q
----
R
EPA
Q
P
A
F
I
F
Y
T
S
G
T
T
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
R
H
----
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
S
S
-
L
-
K
-
L
DSL
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
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
P
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
-----------------------------
9
PsiBlast_PDB
84.81
28%
-111
- C3 -
4WV3
1
?
A:
[11-513]
--------------------------
N
A
V
D
I
-
L
E
R
N
L
P
V
R
A
N
K
T
A
L
F
T
--
P
D
R
E
M
T
F
R
Q
V
S
N
E
A
N
Q
V
G
N
A
L
K
G
L
G
V
R
F
G
E
C
V
G
L
L
T
L
D
S
A
E
W
V
T
S
F
F
G
I
V
K
L
G
A
I
A
V
G
I
N
T
L
L
K
P
P
E
Y
E
Y
I
L
R
D
C
R
A
R
V
L
I
V
H
Q
E
F
L
P
L
--
I
E
S
I
R
-
G
N
L
P
M
-
L
E
H
I
V
V
I
G
-----
G
Y
L
S
F
N
D
W
I
R
--
P
Q
P
T
T
L
E
A
-
A
Q
S
H
R
----
E
---
D
I
C
S
L
N
Y
S
S
G
-
T
G
G
P
K
G
I
P
H
A
H
K
D
Y
P
L
T
A
Q
L
W
------
G
V
N
V
LGLR
E
-
S
D
R
T
F
A
L
A
-
K
L
F
F
T
F
G
T
G
G
N
-
L
I
F
-
P
W
Y
V
G
A
S
C
V
L
F
-----
P
G
A
A
R
V
A
S
N
V
L
S
T
I
S
R
F
K
P
T
I
F
Y
N
A
P
T
G
Y
A
A
A
L
A
L
K
D
F
S
Q
H
D
-
L
-
S
-
S
---
L
R
L
C
V
S
A
S
E
A
L
P
A
A
L
W
Y
A
W
K
E
-
A
T
G
V
D
I
I
D
G
I
G
C
T
E
N
F
H
I
--
F
---------
I
S
N
---
R
P
G
D
I
R
P
G
S
S
G
K
--
P
V
E
G
Y
E
L
K
L
V
D
D
E
G
K
-
T
V
P
A
--
G
E
I
G
N
V
L
L
R
S
E
-
T
A
A
L
S
Y
W
H
N
F
E
K
S
R
Q
T
F
-
Q
-
G
E
W
L
A
T
G
D
K
Y
F
V
D
A
D
G
Y
Y
W
H
A
G
R
S
D
D
M
L
K
V
G
G
I
W
V
S
P
V
E
V
E
S
T
L
I
Q
H
P
A
V
Q
E
C
A
V
I
G
C
P
D
Q
S
R
L
I
-
K
P
K
A
-
F
I
I
L
K
P
E
Q
----
I
P
S
E
A
L
I
R
Q
-
I
T
D
H
C
-
T
E
K
-
M
A
A
Y
K
R
P
R
W
I
E
F
V
T
E
L
P
K
T
A
T
G
K
I
Q
R
F
K
L
R
----------------------------
6
PsiBlast_PDB
84.70
31%
-114
- C3 -
3A9U
-
?
A:
[47-530]
---------------------------------------------------
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
Q
Q
G
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
--
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
G
D
N
P
N
L
YFH-
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
D
L
D
K
H
D
-
L
-
S
S
L
---
R
M
I
K
S
-------
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
FAK
E
P
F
D
I
K
P
G
A
C
G
T
--
V
V
R
N
A
E
M
K
I
V
D
P
E
T
G
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
K
S
----
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
----------------------------
16
PsiBlast_PDB
84.35
29%
-115
- C3 -
1T5D
2
?
X:
[2-498]
-------------------------
Q
T
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
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
G
-----
R
Q
V
-
A
D
A
I
F
Q
S
G
S
G
A
R
I
I
F
L
G
--
D
L
V
R
DG
E
P
Y
S
Y
G
P
P
-
I
E
D
P
Q
----
R
EPA
Q
P
A
F
I
F
Y
T
S
--
T
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
R
H
----
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
S
S
-
L
-
K
-
L
DSL
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
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
-----------------------------
36
HHSearch
84.01
28%
-112
- C3 -
4WV3
1
?
A:
[9-518]
------------------------
Y
Y
N
A
V
D
I
-
L
E
R
N
L
P
V
R
A
N
K
T
A
L
F
T
--
P
D
R
E
M
T
F
R
Q
V
S
N
E
A
N
Q
V
G
N
A
L
K
G
L
G
V
R
F
G
E
C
V
G
L
L
T
L
D
S
A
E
W
V
T
S
F
F
G
I
V
K
L
G
A
I
A
V
G
I
N
T
L
L
K
P
P
E
Y
E
Y
I
L
R
D
C
R
A
R
V
L
I
V
H
Q
E
F
L
P
L
--
I
E
S
I
R
-
G
N
L
P
M
L
E
H
I
V
V
I
G
------
G
Y
L
S
F
N
D
W
I
R
--
P
Q
P
T
T
L
E
A
-
A
Q
S
H
R
----
E
---
D
I
C
S
L
N
Y
S
S
G
-
T
G
G
P
K
G
I
P
H
A
H
K
D
--
Y
P
L
T
A
Q
L
W
G
V
N
V
L
G
L
R
----
E
-
S
D
R
T
F
A
L
A
-
K
L
F
F
T
F
G
T
-
G
G
N
L
I
F
-
P
W
Y
V
G
A
S
C
V
L
F
-----
P
G
A
A
R
V
A
S
N
V
L
S
T
I
S
R
F
K
P
T
I
F
Y
N
A
P
T
G
Y
A
A
A
L
A
L
K
D
F
S
Q
H
D
-
L
S
S
-
L
---
R
L
C
V
S
A
S
E
A
L
P
A
A
L
W
Y
A
W
K
E
A
-
T
G
-
V
D
I
I
D
G
I
G
C
T
E
N
F
H
I
F
I
S
---------
N
R
P
---
G
--
D
I
R
P
G
S
S
G
K
--
P
V
E
G
Y
E
L
K
L
V
D
D
E
G
K
-
T
V
P
A
--
G
E
I
G
N
V
L
L
R
S
E
-
T
A
A
L
S
Y
W
H
N
F
E
K
S
R
Q
T
F
-
Q
-
G
E
W
L
A
T
G
D
K
Y
F
V
D
A
D
G
Y
Y
W
H
A
G
R
S
D
D
M
L
K
V
G
G
I
W
V
S
P
V
E
V
E
S
T
L
I
Q
H
P
A
V
Q
E
C
A
V
I
G
C
P
D
Q
S
R
L
I
-
K
P
K
A
-
F
I
I
L
K
P
E
Q
I
P
S
E
A
----
L
I
R
Q
-
I
T
D
H
C
-
T
E
K
-
M
A
A
Y
K
R
P
R
W
I
E
F
V
T
E
L
P
K
T
A
T
G
K
I
Q
R
F
K
L
R
S
A
A
K
L
-----------------------
11
PsiBlast_PDB
83.81
29%
-114
- C3 -
2QVZ
1
?
X:
[2-498]
-------------------------
Q
T
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
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
DG
E
P
Y
S
Y
G
P
P
-
I
E
D
P
Q
----
R
EPA
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
R
H
----
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
S
S
-
L
-
K
-
L
DSL
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
A
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
-----------------------------
13
PsiBlast_PDB
83.64
29%
-111
- C3 -
3CW8
5
?
X:
[2-498]
-------------------------
Q
T
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
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
G
-----
R
Q
V
-
A
D
A
I
F
Q
S
G
S
G
A
R
I
I
F
L
G
--
D
L
V
R
DG
E
P
Y
S
Y
G
P
P
-
I
E
D
P
Q
----
R
EPA
Q
P
A
F
I
F
Y
T
S
G
T
T
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
R
H
----
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
I
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
S
S
-
L
-
K
-
L
DSL
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
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
E
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
-
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
-----------------------------
12
PsiBlast_PDB
83.20
29%
-115
- C3 -
2QW0
1
?
X:
[2-498]
-------------------------
Q
T
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
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
DG
E
P
Y
S
Y
G
P
P
-
I
E
D
P
Q
----
R
EPA
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
R
H
----
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
S
S
-
L
-
K
-
L
DSL
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
A
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
-----------------------------
20
PsiBlast_PDB
83.15
29%
-108
- C3 -
4RM3
1
?
A:
[10-515]
--------------------------
N
F
A
E
H
-
L
L
Q
T
N
R
V
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
ATQA
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
LHLR
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
GERPT
P
D
A
V
F
K
--
R
W
L
G
G
V
G
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
----------------------------
19
PsiBlast_PDB
83.05
29%
-117
- C3 -
1T5H
1
?
X:
[4-498]
----------------------------
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
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
DG
E
P
Y
S
Y
G
P
P
-
I
E
D
P
Q
----
R
EPA
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
R
H
----
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
S
S
-
L
-
K
-
L
DSL
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
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
-----------------------------
14
PsiBlast_PDB
82.81
29%
-111
- C3 -
2QVX
1
?
X:
[2-498]
-------------------------
Q
T
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
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
G
-----
R
Q
V
-
A
D
A
I
F
Q
S
G
S
G
A
R
I
I
F
L
G
--
D
L
V
R
DG
E
P
Y
S
Y
G
P
P
-
I
E
D
P
Q
----
R
EPA
Q
P
A
F
I
F
Y
T
S
--
T
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
R
H
----
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
S
S
-
L
-
K
-
L
DSL
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
G
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
-----------------------------
22
PsiBlast_CBE
73.39
31%
-121
- C3 -
5BUS
4
MENE_BACSU
B:
[5-388]
----------------------
T
E
Q
P
N
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
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
--------------------------------------------------------------------------------------------------------------------------------------