@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 : Wbm0539: (2015-12-02 )
MISSIQEPNELRKRLQGFYRTDEKSYARYLVEKIELSADSKNRIYNIAKQVVEKIKGSKLDVIDSFMQQYSLSSDEGVALMCLAESLLRIPDDYTIDELIKDKIANQEWSKHLGRSSSLFVNASTWSLMIGSSVLRGNEEGPRFYHVISKLLKNFGEPIIRKAVKQAMLMLGKHFIVGETIEEALESIRSDSHSKFLCSFSILGEAAHTAENAEEYFNSYMHAIKAIGESTDTSDCFKSHGISIKFSSLHPRYEFCQFGNIAGELKTKVLELCHEAKKYNISLCIDAEESERLEMSLVLFEQLRLDESLSQWEGLGLAVQAYQKRALSVLDFVEDVAIRSKHKIMVRLVKGAYWDSEIKRTQELGLSSYPVFTRKSYTDVCYLACARKLLSKASHFYPCFGTHNAYTFATIVELADKNHPGFEFQRLHGIGKNLYDYAMSELATSIDCRIYAPVGKHSDLLPYLIRRLLENGANSSFVNQINGSDVKIEELISDPLEKAKSLGYEPHSSIPLPQDIFGEERKNSLGMDIGDSVTVSQFANDIKELSGKKWQVGPIINGESLFDSAKFIEVVNPAHLENVIGEVSNTTSDQALNALEVAHSAFIKWQNVSAEKRTVYLEKAADLLEEKMKELIYILIVEAGKVLSDAITEVREAVDFLRYYAIIARNELSNWKKLQGPTGEDNFIFFEGRGVFLCISPWNFPLAIFIGQVSAALAAGNAVLAKPAEQTPIIAYEAVKILHEAGIPKDVLHLIPGDGQYLGKALVPDNRISGVAFTGSTQTAQMINRMLASRNGPIVPFIAETGGLNAMIVDSSALLEQVTVDVLLSAFRSAGQRCSALKVLFIQEDIAEKQIKMICDAAQELKVGDPIQLSTDIGPIIDKASIDMLTKYTEKMSGDRDSSLLSKVPMDTNSHNGHFFSPYIYEIQKISQLKQEVFGPILHIIRFNKSQLNGVISDINNTGYGLTFSLQSRIQNQIDSISRKISVGNVYINRDQVGATVGVQPFGGRGLSGTGPKAGGPNYLQRFSTEKVVSVNTAAFGGNTKLMCLD
Atome Classification :
(26 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.......650.......660....--...670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770.......780........790.--.....----.800.......810.......820.......830.......840.......850.......860.......870.......880.......890.......900.......910.......920.......----.930........940.......950.......960.......970.......980.......990.......1000......1010......1020......1030......1040...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MISSIQ
E
P
N
E
L
R
K
R
L
Q
G
F
YRT
D
E
K
S
Y
A
R
Y
L
V
E
K
I
ELSADSKN
R
I
Y
N
I
A
K
Q
V
V
E
K
IK--GS
K
-
L
D
V
I
D
S
F
M
Q
QYSLSSDE
G
V
A
L
M
C
L
A
E
S
L
LRIPDDY
T
I
D
E
L
I
K
D
K
IA
N
Q
E
W
S
K
HLGRSS
S
L
F
V
NA
S
T
W
S
L
M
I
G
S
S
V
LRGNE--EG
P
R
F
Y
H
V
I
S
K
L
L
K
NFG
E
P
I
I
R
K
A
V
K
Q
A
M
L
M
LGKHFI
V
G
E
T
I
E
E
A
L
E
S
I
-RSDSH
S
K
F
L
C
S
F
S
I
LGEAAHT
A
E
N
A
E
E
Y
F
N
S
Y
M
H
A
I
K
A
IGEST
D
T
S
D
C
F
K
SHG
I
S
I
K
FSSLHPR
Y
E
F
C
Q
FG
N
I
A
G
E
L
K
T
K
V
L
E
L
C
H
EAKKY
N
I
S
L
C
IDAEES
E
R
L
E
M
S
L
V
L
F
E
Q
L
R
L
D
E
S
L
S
Q
WEGL
G
L
A
V
Q
A
Y
Q
K
R
A
L
S
V
L
D
F
V
E
D
V
A
I
R
S
K
H
K
I
M
V
R
L
V
KGAYW
D
S
E
I
K
R
T
Q
E
LGLSSYPVFTRKSY
T
D
V
C
Y
L
A
C
A
R
K
L
L
S
KASHFYPCFGTHNA
Y
T
F
A
T
I
V
E
L
ADKNHPG
F
E
F
Q
R
L
H
GIG
K
N
L
Y
D
Y
A
M
S
E
L
A
TS--I
D
C
R
I
Y
APVGKHS
D
L
L
P
Y
L
I
R
R
L
L
ENGANSS
F
V
N
QINGSDV
K
I
E
E
L
I
S
D
P
L
E
K
A
K
SLGYEPHSSIPL
P
Q
D
I
F
G
E
E
R
K
NSLGMDIGDSV
T
V
S
Q
F
A
N
D
I
K
E
LSGKK
W
Q
V
G
P
I
IN
G
E
S
LFDS
A
K
F
I
E
VV
N
P
A
H
L
E
N
V
I
G
EVSNT
T
S
D
Q
A
L
N
A
L
E
V
A
H
S
A
F
I
K
W
QNVSAEK
R
T
V
Y
L
E
K
A
A
D
L
L
E
E
K
M
K
E
L
I
Y
I
L
I
VEA
G
K
V
L
S
D
A
I
T
E
V
R
E
A
V
D
F
L
R
Y
Y
A
I
I
A
RN--ELSN
W
K
KLQGPTGED
N
F
I
F
F
EG
R
G
V
F
L
C
ISPWN
F
P
L
A
I
F
I
G
Q
V
S
A
A
L
AAG
N
A
V
LAKPAEQT
P
I
I
A
Y
E
A
V
K
I
L
H
EAGI
P
K
D
V
L
H
LIPGD
G
Q
Y
L
GKALVPDNRIS
G
V
A
FTGS
T
Q
T
A
-
Q
M
I
N
R
M
L
ASRNG
P
--
I
V
P
F
I
----AETGG
L
N
A
M
I
VD
S
S
A
L
L
E
Q
V
T
V
D
V
L
L
S
A
F
R
S
AGQRC
S
A
L
K
V
L
F
I
Q
E
D
I
A
E
K
Q
I
K
M
I
C
D
A
A
Q
ELKVGD
P
I
Q
LSTDIGPII
D
K
A
S
I
D
M
L
T
K
Y
T
E
K
MSGDR
D
S
S
L
L
S
KVPMDTNSHNGHFF
S
P
Y
I
Y
-
E
I
Q
K
I
S
Q
----
L
K
Q
-
E
V
F
G
P
I
L
H
I
I
RF
N
K
S
Q
L
N
G
V
I
S
DINNTGY
G
L
T
F
S
L
Q
S
R
I
Q
N
Q
I
D
S
I
S
R
K
I
S
V
G
N
V
Y
I
NRDQVG
A
T
VGVQPFGGRGLSGTGPKAG
G
P
N
Y
L
Q
R
FSTE
K
V
V
S
V
N
T
A
AFGGN
T
K
L
M
C
LD
67
Fugue
96.39
48%
-89
- C2 -
4Q71
7
?
A:
[3-990]
-------
M
P
N
I
P
P
P
F
T
A
P
Y
A
P
D
D
A
E
I
A
A
R
L
L
P
A
S
H
L
S
P
P
Q
E
A
R
I
H
R
T
A
T
R
L
I
E
A
I
R
---
K
R
-
L
G
G
V
E
D
M
L
R
E
F
A
L
S
T
K
E
G
L
A
L
M
V
L
A
E
A
L
L
R
V
P
D
A
R
T
A
D
Q
F
I
E
D
K
L
G
E
G
D
F
I
H
H
E
T
K
S
T
A
F
L
V
N
A
S
A
W
A
--------
R
V
I
Q
--
P
G
E
T
P
D
G
T
I
G
R
L
V
K
R
L
G
A
P
A
V
R
T
A
T
R
Q
A
M
R
L
M
G
N
H
F
V
L
G
E
T
I
E
Q
A
L
E
R
G
-
K
P
G
Q
K
T
R
Y
--
S
F
D
M
L
G
E
G
A
R
T
A
A
D
A
R
R
Y
F
D
A
Y
A
S
A
I
E
T
I
G
K
A
A
G
N
H
A
L
P
D
R
P
G
I
S
V
K
L
S
A
L
H
P
R
F
E
A
I
S
R
A
R
V
M
V
E
L
V
P
Q
L
L
D
L
A
Q
R
A
K
A
H
D
L
N
F
T
V
D
A
E
E
A
D
R
L
E
L
S
L
D
V
I
A
A
T
L
A
D
P
S
L
K
G
W
D
G
F
G
L
A
I
Q
A
Y
Q
K
R
A
S
A
V
I
D
Y
V
D
A
L
A
R
A
H
D
R
K
L
M
V
R
L
V
K
G
A
Y
W
D
T
E
I
K
R
A
Q
E
R
G
L
D
G
Y
P
V
F
T
R
K
A
M
T
D
L
N
Y
V
A
C
A
S
K
L
L
A
L
R
P
R
I
F
P
Q
F
A
T
H
N
A
L
T
V
A
T
V
L
E
M
A
E
G
S
-
S
G
F
E
F
Q
R
L
H
G
M
G
E
A
L
Y
E
Q
L
A
K
D
H
A
-
D
--
I
A
Y
R
T
Y
A
P
V
G
S
H
R
D
L
L
A
Y
L
V
R
R
L
L
E
N
G
A
N
S
S
F
V
A
Q
A
A
D
Y
R
V
P
V
P
A
L
L
Q
R
P
A
D
A
I
V
R
P
Q
A
A
A
H
P
R
I
P
L
P
C
D
L
F
A
P
E
R
R
N
S
R
G
V
E
F
G
A
R
T
A
L
D
Q
L
L
T
D
V
K
A
-------------------------------------
E
I
A
D
A
T
P
D
Q
A
H
A
A
V
A
A
A
R
A
G
F
A
G
W
S
R
T
P
A
G
I
R
A
A
A
L
E
Q
A
A
H
L
L
E
S
R
S
A
H
F
I
A
L
L
Q
R
E
G
G
K
T
L
D
D
A
L
S
E
L
R
E
A
A
D
F
C
R
Y
Y
A
A
Q
G
R
K
--
L
F
G
S
E
T
A
M
P
G
P
T
G
E
S
N
A
L
T
M
R
G
R
G
V
F
V
A
I
S
P
W
N
F
P
L
A
I
F
L
G
Q
V
T
A
A
L
M
A
G
N
S
V
V
A
K
P
A
E
Q
T
P
R
I
A
R
E
A
V
A
L
L
H
E
A
G
I
P
K
S
A
L
Y
L
V
T
G
D
G
R
-
I
G
A
A
L
T
A
H
P
D
I
A
G
V
V
F
T
G
S
T
E
V
A
-
R
S
I
N
R
A
L
A
A
K
D
G
P
--
I
V
P
L
I
----
A
E
T
G
G
I
N
A
M
I
A
D
A
T
A
L
P
E
Q
V
A
D
W
V
V
T
S
A
F
R
S
A
G
Q
R
C
S
A
L
R
L
L
F
V
Q
E
D
V
A
D
R
M
I
E
M
V
A
G
A
A
R
E
L
K
I
G
D
P
S
D
V
A
T
H
V
G
P
V
I
D
V
E
A
K
Q
R
L
D
A
H
I
A
R
M
K
T
E
A
R
L
H
F
A
G
P
A
P
------
E
G
C
F
V
A
P
H
I
F
-
E
L
T
E
A
G
Q
----
L
T
E
-
E
V
F
G
P
I
L
H
V
V
R
Y
R
P
E
N
L
E
R
V
L
R
A
I
E
R
T
G
Y
G
L
T
L
G
V
H
S
R
I
D
D
S
I
E
A
I
I
D
R
V
Q
V
G
N
I
Y
V
N
R
N
M
I
G
A
V
V
G
V
Q
P
F
G
G
N
G
L
S
G
T
G
P
K
A
G
G
P
H
Y
L
A
R
F
A
T
E
Q
T
V
T
I
N
T
A
A
A
----------
1
PsiBlast_PDB
95.51
46%
-90
- C2 -
3HAZ
13
?
A:
[14-987]
------------------
Y
A
P
D
D
A
E
I
A
A
R
L
L
P
A
S
H
L
S
P
P
Q
E
A
R
I
H
R
T
A
T
R
L
I
E
A
I
R
KR--
R
-
L
G
G
V
E
D
M
L
R
E
F
A
L
S
T
K
E
G
L
A
L
M
V
L
A
E
A
L
L
R
V
P
D
A
R
T
A
D
Q
F
I
E
D
K
L
G
E
G
D
F
I
H
H
E
T
K
S
T
A
F
L
V
N
A
S
A
W
A
----
A
R
V
I
Q
P
G
E
TP
D
G
-----
T
I
G
R
L
V
K
R
L
G
A
P
A
V
R
T
A
T
R
Q
A
M
R
L
M
G
N
H
F
V
L
G
E
T
I
E
Q
A
L
E
R
G
-
K
P
R
S
G
Q
K
T
R
Y
S
F
D
M
L
G
E
G
A
R
T
A
A
D
A
R
R
Y
F
D
A
Y
A
S
A
I
E
T
I
G
K
A
A
G
N
H
A
L
P
D
R
P
G
I
S
V
K
L
S
A
L
H
P
R
F
E
A
I
S
R
A
R
V
M
V
E
L
V
P
Q
L
L
D
L
A
Q
R
A
K
A
H
D
L
N
F
T
V
D
A
E
E
A
D
R
L
E
L
S
L
D
V
I
A
A
T
L
A
D
P
S
L
K
G
W
D
G
F
G
L
A
I
Q
A
Y
Q
K
R
A
S
A
V
I
D
Y
V
D
A
L
A
R
A
H
D
R
K
L
M
V
R
L
V
K
G
A
Y
W
D
T
E
I
K
R
A
Q
E
R
G
L
D
G
Y
P
V
F
T
R
K
A
M
T
D
L
N
Y
V
A
C
A
S
K
L
L
A
L
R
P
R
I
F
P
Q
F
A
T
H
N
A
L
T
V
A
T
V
L
E
M
A
E
G
S
S
-
G
F
E
F
Q
R
L
H
G
M
G
E
A
L
Y
E
Q
L
A
K
D
H
A
-
D
--
I
A
Y
R
T
Y
A
P
V
G
S
H
R
D
L
L
A
Y
L
V
R
R
L
L
E
N
G
A
N
S
S
F
V
A
Q
A
A
D
Y
R
V
P
V
P
A
L
L
Q
R
P
A
D
A
I
V
R
P
Q
A
A
A
H
P
R
I
P
L
P
C
D
L
F
A
P
E
R
R
N
S
R
G
V
E
F
G
A
R
T
A
L
D
Q
L
L
T
D
V
K
A
E
T
G
D
-------------------------------
L
K
P
I
A
D
A
T
P
D
Q
A
H
A
A
V
A
A
A
R
A
G
F
A
G
W
S
R
T
P
A
G
I
R
A
A
A
L
E
Q
A
A
H
L
L
E
S
R
S
A
H
F
I
A
L
L
Q
R
E
G
G
K
T
L
D
D
A
L
S
E
L
R
E
A
A
D
F
C
R
Y
Y
A
A
Q
G
R
K
--
L
F
G
S
E
T
A
M
P
G
P
T
G
E
S
N
A
L
T
M
R
G
R
G
V
F
V
A
I
S
P
W
N
F
P
L
A
I
F
L
G
Q
V
T
A
A
L
M
A
G
N
S
V
V
A
K
P
A
E
Q
T
P
R
I
A
R
E
A
V
A
L
L
H
E
A
G
I
P
K
S
A
L
Y
L
V
T
G
D
G
R
-
I
G
A
A
L
T
A
H
P
D
I
A
G
V
V
F
T
G
S
T
E
V
A
-
R
S
I
N
R
A
L
A
A
K
D
G
P
--
I
V
P
L
I
----
A
E
T
G
G
I
N
A
M
I
A
D
A
T
A
L
P
E
Q
V
A
D
D
V
V
T
S
A
F
R
S
A
G
Q
R
C
S
A
L
R
L
L
F
V
Q
E
D
V
A
D
R
M
I
E
M
V
A
G
A
A
R
E
L
K
I
G
D
P
S
D
V
A
T
H
V
G
P
V
I
D
V
E
A
K
Q
R
L
D
A
H
I
A
R
M
K
T
E
A
R
L
H
F
A
G
P
A
P
------
E
G
C
F
V
A
P
H
I
F
-
E
L
T
E
A
G
Q
----
L
T
E
-
E
V
F
G
P
I
L
H
V
V
R
Y
R
P
E
N
L
E
R
V
L
R
A
I
E
R
T
G
Y
G
L
T
L
G
V
H
S
R
I
D
D
S
I
E
A
I
I
D
R
V
Q
V
G
N
I
Y
V
N
R
N
M
I
G
A
V
V
G
V
Q
P
F
G
G
N
G
L
S
G
T
G
P
K
A
G
G
P
H
Y
L
A
R
F
A
T
E
Q
T
V
T
I
N
T
A
A
A
G
---------
45
HHSearch
95.45
48%
-88
- C2 -
3HAZ
13
?
A:
[5-991]
---------
N
I
P
P
P
F
T
A
P
Y
A
P
D
D
A
E
I
A
A
R
L
L
P
A
S
H
L
S
P
P
Q
E
A
R
I
H
R
T
A
T
R
L
I
E
A
I
R
--
K
R
-R
L
G
G
V
E
D
M
L
R
E
F
A
L
S
T
K
E
G
L
A
L
M
V
L
A
E
A
L
L
R
V
P
D
A
R
T
A
D
Q
F
I
E
D
K
L
G
E
G
D
F
I
H
H
E
T
K
S
T
A
F
L
V
N
A
S
A
W
A
----
A
R
V
I
Q
P
G
E
-----
T
P
D
G
T
I
G
R
L
V
K
R
L
G
A
P
A
V
R
T
A
T
R
Q
A
M
R
L
M
G
N
H
F
V
L
G
E
T
I
E
Q
A
L
E
R
G
K
P
R
S
G
-
Q
K
T
R
Y
S
F
D
M
L
G
E
G
A
R
T
A
A
D
A
R
R
Y
F
D
A
Y
A
S
A
I
E
T
I
G
K
A
A
G
N
H
A
L
P
D
R
P
G
I
S
V
K
L
S
A
L
H
P
R
F
E
A
I
S
R
A
R
V
M
V
E
L
V
P
Q
L
L
D
L
A
Q
R
A
K
A
H
D
L
N
F
T
V
D
A
E
E
A
D
R
L
E
L
S
L
D
V
I
A
A
T
L
A
D
P
S
L
K
G
W
D
G
F
G
L
A
I
Q
A
Y
Q
K
R
A
S
A
V
I
D
Y
V
D
A
L
A
R
A
H
D
R
K
L
M
V
R
L
V
K
G
A
Y
W
D
T
E
I
K
R
A
Q
E
R
G
L
D
G
Y
P
V
F
T
R
K
A
M
T
D
L
N
Y
V
A
C
A
S
K
L
L
A
L
R
P
R
I
F
P
Q
F
A
T
H
N
A
L
T
V
A
T
V
L
E
M
A
E
G
-
S
S
G
F
E
F
Q
R
L
H
G
M
G
E
A
L
Y
E
Q
L
A
K
---
D
H
AD
I
A
Y
R
T
Y
A
P
V
G
S
H
R
D
L
L
A
Y
L
V
R
R
L
L
E
N
G
A
N
S
S
F
V
A
Q
A
A
D
Y
R
V
P
V
P
A
L
L
Q
R
P
A
D
A
I
V
R
P
Q
A
A
A
H
P
R
I
P
L
P
C
D
L
F
A
P
E
R
R
N
S
R
G
V
E
F
G
A
R
T
---
A
L
D
Q
L
--------------------------
L
T
D
V
K
A
E
T
-
G
D
-
L
K
P
I
A
D
A
T
P
D
Q
A
H
A
A
V
A
A
A
R
A
G
F
A
G
W
S
R
T
P
A
G
I
R
A
A
A
L
E
Q
A
A
H
L
L
E
S
R
S
A
H
F
I
A
L
L
Q
R
E
G
G
K
T
L
D
D
A
L
S
E
L
R
E
A
A
D
F
C
R
Y
Y
A
A
Q
G
R
K
--
L
F
G
S
E
T
A
M
P
G
P
T
G
E
S
N
A
L
T
M
R
G
R
G
V
F
V
A
I
S
P
W
N
F
P
L
A
I
F
L
G
Q
V
T
A
A
L
M
A
G
N
S
V
V
A
K
P
A
E
Q
T
P
R
I
A
R
E
A
V
A
L
L
H
E
A
G
I
P
K
S
A
L
Y
L
V
T
G
D
G
-
R
I
G
A
A
L
T
A
H
P
D
I
A
G
V
V
F
T
G
S
T
E
V
A
-
R
S
I
N
R
A
L
A
A
K
D
G
P
--
I
V
P
L
I
----
A
E
T
G
G
I
N
A
M
I
A
D
A
T
A
L
P
E
Q
V
A
D
D
V
V
T
S
A
F
R
S
A
G
Q
R
C
S
A
L
R
L
L
F
V
Q
E
D
V
A
D
R
M
I
E
M
V
A
G
A
A
R
E
L
K
I
G
D
P
S
D
V
A
T
H
V
G
P
V
I
D
V
E
A
K
Q
R
L
D
A
H
I
A
R
M
K
T
E
--
A
R
L
H
F
A
G
P
----
A
P
E
G
C
F
V
A
P
H
I
F
-
E
L
T
E
A
G
Q
----
L
T
E
-
E
V
F
G
P
I
L
H
V
V
R
Y
R
P
E
N
L
E
R
V
L
R
A
I
E
R
T
G
Y
G
L
T
L
G
V
H
S
R
I
D
D
S
I
E
A
I
I
D
R
V
Q
V
G
N
I
Y
V
N
R
N
M
I
G
A
V
V
G
V
Q
P
F
G
G
N
G
L
S
G
T
G
P
K
A
G
G
P
H
Y
L
A
R
F
A
T
E
Q
T
V
T
I
N
T
A
A
A
G
---------
21
PsiBlast_CBE
62.09
36%
-83
- C2 -
3QAN
1
ROCA1_BACHD
C:
[32-513]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
L
-
G
K
E
Y
P
L
--
I
I
N
G
E
R
V
T
T
E
D
K
-
I
Q
S
W
N
P
A
R
K
D
Q
L
V
G
S
V
S
K
A
N
Q
D
L
A
E
K
A
I
Q
S
A
D
E
A
F
Q
T
W
R
N
V
N
P
E
E
R
A
N
I
L
V
K
A
A
A
I
I
R
R
R
K
H
E
F
S
A
W
L
V
H
E
A
G
K
P
W
K
E
A
D
A
D
T
A
E
A
I
D
F
L
E
Y
Y
A
---
R
Q
MI
E
L
N
R
G
K
E
I
L
S
R
P
G
E
Q
N
R
Y
F
Y
T
P
M
G
V
T
V
T
I
S
P
W
N
F
A
L
A
I
M
V
G
T
A
V
A
P
I
V
T
G
N
T
V
V
L
K
P
A
S
T
T
P
V
V
A
A
K
F
V
E
V
L
E
D
A
G
L
P
K
G
V
I
N
Y
V
P
G
S
G
A
E
V
G
D
Y
L
V
D
H
P
K
T
S
L
I
T
F
T
G
S
K
D
V
G
V
R
L
Y
E
R
A
A
V
V
R
P
G
Q
NH
L
K
R
V
I
----
V
E
M
G
G
K
D
T
V
V
V
D
R
D
A
D
L
D
L
A
A
E
S
I
L
V
S
A
F
G
F
S
G
Q
K
C
S
A
G
S
R
A
V
I
H
K
D
V
Y
D
E
V
L
E
K
T
V
A
L
A
K
N
L
T
V
G
D
P
T
N
R
D
N
Y
M
G
P
V
I
D
E
K
A
F
E
K
I
M
S
Y
I
E
--
I
G
K
K
E
G
R
L
M
T
G
G
E
G
D
S
S
T
--
G
F
F
I
Q
P
T
I
---
I
A
D
L
D
P
EAVI
M
Q
E
-
E
I
F
G
P
V
V
A
F
S
K
A
N
--
D
F
D
H
A
L
E
I
A
N
N
T
E
Y
G
L
T
G
A
V
I
T
R
N
R
A
H
I
E
Q
A
K
R
E
F
H
V
G
N
L
Y
F
N
R
N
C
T
G
A
I
V
G
Y
H
P
F
G
G
F
K
M
S
G
T
D
S
K
A
G
G
P
D
Y
L
A
L
H
M
Q
A
K
T
V
S
E
M
Y
A
------------
9
PsiBlast_PDB
61.61
36%
-83
- C2 -
3QAN
-
ROCA1_BACHD
A:
[32-513]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
L
-
G
K
E
Y
P
L
--
I
I
N
G
E
R
V
T
T
E
D
K
-
I
Q
S
W
N
P
A
R
K
D
Q
L
V
G
S
V
S
K
A
N
Q
D
L
A
E
K
A
I
Q
S
A
D
E
A
F
Q
T
W
R
N
V
N
P
E
E
R
A
N
I
L
V
K
A
A
A
I
I
R
R
R
K
H
E
F
S
A
W
L
V
H
E
A
G
K
P
W
K
E
A
D
A
D
T
A
E
A
I
D
F
L
E
Y
Y
A
---
R
Q
M
I
E
L
N
R
G
K
E
I
L
S
R
P
G
E
Q
N
R
Y
F
Y
T
P
M
G
V
T
V
T
I
S
P
W
N
F
A
L
A
I
M
V
G
T
A
V
A
P
I
V
T
G
N
T
V
V
L
K
P
A
S
T
T
P
V
V
A
A
K
F
V
E
V
L
E
D
A
G
L
P
K
G
V
I
N
Y
V
P
G
S
G
A
E
V
G
D
Y
L
V
D
H
P
K
T
S
L
I
T
F
T
G
S
K
D
V
G
V
R
L
Y
E
R
A
A
V
V
R
P
G
Q
N
H
L
K
R
V
I
----
V
E
M
G
G
K
D
T
V
V
V
D
R
D
A
D
L
D
L
A
A
E
S
I
L
V
S
A
F
G
F
S
G
Q
K
C
S
A
G
S
R
A
V
I
H
K
D
V
Y
D
E
V
L
E
K
T
V
A
L
A
K
N
L
T
V
G
D
P
T
N
R
D
N
Y
M
G
P
V
I
D
E
K
A
F
E
K
I
M
S
Y
I
E
--
I
G
K
K
E
G
R
L
M
T
G
G
E
G
D
S
S
T
--
G
F
F
I
Q
P
T
I
---
I
A
D
L
D
P
EAVI
M
Q
E
-
E
I
F
G
P
V
V
A
F
S
K
A
N
--
D
F
D
H
A
L
E
I
A
N
N
T
E
Y
G
L
T
G
A
V
I
T
R
N
R
A
H
I
E
Q
A
K
R
E
F
H
V
G
N
L
Y
F
N
R
N
C
T
G
A
I
V
G
Y
H
P
F
G
G
F
K
M
S
G
T
D
S
K
A
G
G
P
D
Y
L
A
L
H
M
Q
A
K
T
V
S
E
M
Y
-------------
17
PsiBlast_PDB
61.20
33%
-82
- C2 -
2EJ6
11
?
A:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
K
R
A
Y
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
19
PsiBlast_PDB
61.13
33%
-80
- C2 -
2J5N
12
?
A:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
K
R
A
Y
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
39
PsiBlast_CBE
61.06
33%
-81
- C2 -
2EHQ
10
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
31
PsiBlast_CBE
61.00
33%
-80
- C2 -
2J5N
13
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
34
PsiBlast_CBE
60.84
33%
-80
- C2 -
2EIT
13
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
36
PsiBlast_CBE
60.81
33%
-79
- C2 -
2EII
15
?
A:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
K
R
A
Y
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
20
PsiBlast_PDB
60.74
33%
-80
- C2 -
2EIT
12
?
A:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
K
R
A
Y
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
18
PsiBlast_PDB
60.67
33%
-79
- C2 -
2BHQ
11
?
A:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
K
R
A
Y
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
16
PsiBlast_PDB
60.64
33%
-79
- C2 -
2EHQ
10
?
A:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
K
R
A
Y
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
33
PsiBlast_CBE
60.62
33%
-80
- C2 -
2EJ6
12
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
15
PsiBlast_PDB
60.59
33%
-80
- C2 -
2IY6
12
?
A:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
K
R
A
Y
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
35
PsiBlast_CBE
60.54
33%
-80
- C2 -
2EII
17
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
14
PsiBlast_PDB
60.48
33%
-78
- C2 -
2BJK
10
?
A:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
K
R
A
Y
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
38
PsiBlast_CBE
60.44
33%
-79
- C2 -
2EHU
15
?
A:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
K
R
A
Y
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
29
PsiBlast_CBE
60.38
33%
-81
- C2 -
2EIW
10
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
N
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
42
PsiBlast_CBE
60.34
33%
-78
- C2 -
2BHP
11
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
13
PsiBlast_PDB
60.34
33%
-79
- C2 -
2BHP
14
?
A:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
K
R
A
Y
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
37
PsiBlast_CBE
60.33
33%
-80
- C2 -
2EHU
16
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
32
PsiBlast_CBE
60.32
33%
-80
- C2 -
2IY6
13
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
41
PsiBlast_CBE
60.27
33%
-80
- C2 -
2BHQ
8
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------
40
PsiBlast_CBE
60.08
33%
-79
- C2 -
2BJK
11
?
B:
[30-513]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
R
E
E
F
G
R
H
Y
---
P
L
Y
I
G
G
E
W
V
D
T
K
E
R
M
V
S
L
N
P
S
A
P
S
E
V
V
G
T
T
A
K
A
G
K
A
E
A
E
A
A
L
E
A
A
W
K
A
F
K
T
W
K
D
W
P
Q
E
D
R
S
R
L
L
L
K
A
A
A
L
M
R
R
R
K
R
E
L
E
A
T
L
V
Y
E
V
G
K
N
W
V
E
A
S
A
D
V
A
E
A
I
D
F
I
E
Y
Y
A
R
A
A
L
R
--
Y
R
Y
P
A
V
E
V
V
P
Y
P
G
E
D
N
E
S
F
Y
V
P
L
G
A
G
V
V
I
A
P
W
N
F
P
V
A
I
F
T
G
M
I
V
G
P
V
A
V
G
N
T
V
I
A
K
P
A
E
D
A
V
V
V
G
A
K
V
F
E
I
F
H
E
A
G
F
P
P
G
V
V
N
F
L
P
G
V
G
E
E
V
G
A
Y
L
V
E
H
P
R
I
R
F
I
N
F
T
G
S
L
E
V
G
-
L
K
I
Y
E
A
-
A
G
R
L
A
P
--
G
Q
T
W
F
KRAY
V
E
T
G
G
K
D
A
I
I
V
D
E
T
A
D
F
D
L
A
A
E
G
V
V
V
S
A
Y
G
F
Q
G
Q
K
C
S
A
A
S
R
L
I
L
T
Q
G
A
Y
E
P
V
L
E
R
V
L
K
R
A
E
R
L
S
V
G
-
P
A
E
E
N
P
D
L
G
P
V
V
S
A
E
Q
E
R
K
V
L
S
Y
I
E
I
G
K
N
E
G
Q
L
V
L
G
G
K
----
R
L
E
G
E
G
Y
F
I
A
P
T
V
F
T
E
V
P
P
K
A
R
----
I
A
Q
E
E
I
F
G
P
V
L
S
V
I
R
V
K
--
D
F
A
E
A
L
E
V
A
N
D
T
P
Y
G
L
T
G
G
V
Y
S
R
K
R
E
H
L
E
W
A
R
R
E
F
H
V
G
N
L
Y
F
N
R
K
I
T
G
A
L
V
G
V
Q
P
F
G
G
F
K
L
S
G
T
N
A
K
T
G
A
L
D
Y
L
R
L
F
L
E
M
K
A
V
A
E
R
F
-------------