@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 : jhp_0029: (2015-12-11 )
MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVFKKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF
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.......650.......660.......670.......680.......690.......700.......710.......720-....--....730.......740
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
D
K
F
N
K
D
L
N
E
V
L
S
H
A
L
D
L
A
LDFN
H
V
L
C
T
T
E
H
V
L
L
A
I
L
--EHGI
G
I
R
I
F
NTLEED
G
--
Y
H
K
M
E
Q
I
L
K
D
Y
L
Q
Q
YIPLK---NDPTKIPDRS
P
V
L
A
--
R
V
F
-------
K
K
----
M
Y
A
S
----
Y
L
D
S----V
G
V
E
E
L
L
I
F
I
LEYD
D
C
Y
A
S
K
L
L
D
S
FG
I
T
R
---
S
Y
F
K
S
A
L
LDFDNPNDINDNDINNEEAPKST
P
L
K
K
Y
T
K
N
L
S
A
L
A
QNNALDPVIG
R
E
E
E
I
L
R
V
I
E
I
L
GRRKKNN
P
L
L
I
GEAGV
G
K
T
S
I
A
E
A
L
A
L
K
I
A
Q
K
E
V
P
E
F
L
Q
EY
E
V
Y
S
L
D
L
A
L
M
VAGAKYR
G
D
F
E
K
R
L
K
K
T
L
K
E
-
I
Q
Q-NG
R
I
I
L
F
I
D
E
I
H
T
L
LGAGSSNAGSL
D
A
A
N
I
L
K
P
V
LTDGS
L
K
C
LGAT
T
F
E
E
Y
R
S
V
F
E
K
D
K
A
FNR
R
F
S
I
V
NVEEPS
K
E
A
C
Y
L
I
L
K
N
I
A
P
L
Y
E
E
H
H
Q
V
RY
N
E
S
V
F
K
A
C
V
D
L
T
S
Y
Y
M
HDKFL
P
D
K
A
I
E
L
L
D
EVGSRKKI----NP------------------------------------------------------------------------------------------KKG--------------------------------------------------------
K
K
I---
S
--
V
D
D
V
Q
E
T
L
A
L
K
L
K--------------------------IPKMRLNS
D
K
K
A
L
L
R
N
L
E
K
S
L
K
N
K
I
----------------------------
F
A
Q
T
E
A
I
N
L
V
S
N
A
I
K
I
Q
HC---------------------GLSAKNKPV
G
S
F
L
F
VGPSGV
G
K
T
E
L
A
K
E
L
A
L
N
L
---
N
---
L
H
F
E
---RF
D
M
S
E
Y
K
E
A
H
S
V
A
K
L
IGSPSGYVGFEQGG
L
L
V
N
A
I
K
KHP
H
C
L
L
L
L
D
E
I
E
K
AHP
N
V
Y
D
L
L
L
Q
V
MDNATLSDNLGNKAS
F
K
H
V
I
L
I
M
TSNVGSKDKD
T
L
G
F
FSTKNA
K
-
Y
D
R
A
V
K
E
L
-------L----
T
P
E
L
R
S
R
I
D
AIVPFNAL
S
L
E
D
F
E
R
I
V
S
V
E
L
D
K
L
K
A
L
A
LEQ
G
V
I
L
K
F
H
K
E
V
V
K
C
I
A
QKS
Y
Q
TTL
G
A
R
E
I
K
K
I
I
H
N
E
I
K
T
Q
L
S
D
I
L
L
L
Q
SFKKP
C
K
I
A
C
L
L
--EK
N
Q
--
L
V
L
K
E
I
K
R
A
Q
K
VKENDF
1
PsiBlast_PDB
92.98
40%
-100
* C4 *
1KSF
12
CLPA_ECOLI
X:
[2-753]
---
L
N
Q
E
L
E
L
S
L
N
M
A
F
A
R
A
R
E
H
R
H
E
F
M
T
V
E
H
L
L
L
A
L
L
--
S
N
P
S
A
R
E
A
L
E
A
C
S
V
D
---
L
V
A
L
R
Q
E
L
E
A
F
I
E
Q
T
T
P
V
L
---
P
A
S
E
E
E
R
D
T
Q
P
T
L
S
FQ
R
V
L
-------
Q
R
AVFH
V
Q
S
S
----
G
R
N
E
----
V
T
G
A
N
V
L
V
A
I
F
S
E
Q
E
S
Q
A
A
Y
L
L
R
K
H
E
V
S
R
LDV
V
N
F
I
S
H
G
T
R
----------------------
L
E
N
F
T
T
N
L
N
Q
L
A
R
V
G
G
I
D
P
L
I
G
R
E
K
E
L
E
R
A
I
Q
V
L
C
R
R
R
K
N
N
P
L
L
V
G
E
S
G
V
G
K
T
A
I
A
E
G
L
A
W
R
I
V
Q
G
D
V
P
E
V
M
A
D
C
T
I
Y
S
L
D
I
G
---
A
G
T
K
Y
R
G
D
F
E
K
R
F
K
A
L
L
K
Q
-
L
E
Q
-
D
T
N
S
I
L
F
I
D
E
I
H
T
I
I
G
A
G
A
A
S
G
G
Q
V
D
A
A
N
L
I
K
P
L
L
S
S
G
K
I
R
V
I
G
S
T
T
Y
Q
E
F
S
N
I
F
E
K
D
R
A
L
A
R
R
F
Q
K
I
D
I
T
E
P
S
I
E
E
T
V
Q
I
I
N
G
L
K
P
K
Y
E
A
H
H
D
V
R
Y
T
A
K
A
V
R
A
A
V
E
L
A
V
K
Y
I
N
D
R
H
L
P
D
K
A
I
D
V
I
D
E
A
G
A
R
A
R
L
----
M
P
VS----------------------------------------------------------------------------------------
K
R
K
--------------------------------------------------------
K
T
V
---
N
--
V
A
D
I
E
S
V
V
A
R
I
A
R
--------------------------
I
P
E
K
S
V
S
Q
S
D
R
D
T
L
K
N
L
G
D
R
L
K
M
L
V
----------------------------
F
G
Q
D
K
A
I
E
A
L
T
E
A
I
K
M
A
R
A
---------------------
G
L
G
H
E
H
K
P
V
G
S
F
L
F
A
G
P
T
G
V
G
K
T
E
V
T
V
Q
L
S
K
A
L
---
G
---
I
E
L
L
---
R
F
D
M
S
E
Y
M
E
R
H
T
V
S
R
L
I
G
A
P
P
G
Y
V
G
F
D
Q
G
G
L
L
T
D
A
V
I
K
H
P
H
A
V
L
L
L
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
V
M
D
N
G
T
L
T
D
N
N
G
R
K
A
D
F
R
N
V
V
L
V
M
T
T
N
A
G
V
R
-----------
N
S
T
D
A
M
E
E
I
K
K
I
-------
F
----
T
P
E
F
R
N
R
L
D
N
I
I
W
F
D
H
L
S
T
D
V
I
H
Q
V
V
D
K
F
I
V
E
L
Q
V
Q
L
D
Q
K
G
V
S
L
E
V
S
Q
E
A
R
N
W
L
A
E
K
G
Y
D
R
A
M
G
A
R
P
M
A
R
V
I
Q
D
N
L
K
K
P
L
A
N
E
L
L
F
G
S
L
V
D
G
G
Q
V
T
V
A
L
DK
E
K
N
E
--
L
T
Y
G
-
F
Q
S
A
Q
K
H
K
A
E
--
2
PsiBlast_PDB
92.48
40%
-99
- C4 -
1R6B
5
CLPA_ECOLI
X:
[2-751]
---
L
N
Q
E
L
E
L
S
L
N
M
A
F
A
R
A
R
E
H
R
H
E
F
M
T
V
E
H
L
L
L
A
L
L
--
S
N
P
S
A
R
E
A
L
E
A
C
S
V
D
---
L
V
A
L
R
Q
E
L
E
A
F
I
E
Q
T
T
P
V
L
---
P
A
S
E
E
E
R
D
T
Q
P
T
L
S
FQ
R
V
L
-------
Q
R
AVFH
V
Q
S
S
----
G
R
N
E
----
V
T
G
A
N
V
L
V
A
I
F
S
E
Q
E
S
Q
A
A
Y
L
L
R
K
H
E
V
S
R
LDV
V
N
F
I
S
H
G
------------------------
L
E
N
F
T
T
N
L
N
Q
L
A
R
V
G
G
I
D
P
L
I
G
R
E
K
E
L
E
R
A
I
Q
V
L
C
R
R
R
K
N
N
P
L
L
V
G
E
S
G
V
G
K
T
A
I
A
E
G
L
A
W
R
I
V
Q
G
D
V
P
E
V
M
A
D
C
T
I
Y
S
L
D
I
G
---
A
G
T
K
Y
R
G
D
F
E
K
R
F
K
A
L
L
K
Q
-
L
E
Q
-
D
T
N
S
I
L
F
I
D
E
I
H
T
I
I
G
A
G
A
A
S
G
G
Q
V
D
A
A
N
L
I
K
P
L
L
S
S
G
K
I
R
V
I
G
S
T
T
Y
Q
E
F
S
N
I
F
E
K
D
R
A
L
A
R
R
F
Q
K
I
D
I
T
E
P
S
I
E
E
T
V
Q
I
I
N
G
L
K
P
K
Y
E
A
H
H
D
V
R
Y
T
A
K
A
V
R
A
A
V
E
L
A
V
K
Y
I
N
D
R
H
L
P
D
K
A
I
D
V
I
D
E
A
G
A
R
A
R
L
----
M
P
VS----------------------------------------------------------------------------------------
K
R
K
--------------------------------------------------------
K
T
V
---
N
--
V
A
D
I
E
S
V
V
A
R
I
A
R
--------------------------
I
P
E
K
S
V
S
Q
S
D
R
D
T
L
K
N
L
G
D
R
L
K
M
L
V
----------------------------
F
G
Q
D
K
A
I
E
A
L
T
E
A
I
K
M
A
R
A
---------------------
G
L
G
H
E
H
K
P
V
G
S
F
L
F
A
G
P
T
G
V
G
K
T
E
V
T
V
Q
L
S
K
A
L
---
G
---
I
E
L
L
---
R
F
D
M
S
E
Y
M
E
R
H
T
V
S
R
L
I
G
A
P
P
G
Y
V
G
F
D
Q
G
G
L
L
T
D
A
V
I
K
H
P
H
A
V
L
L
L
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
V
M
D
N
G
T
L
T
D
N
N
G
R
K
A
D
F
R
N
V
V
L
V
M
T
T
N
A
G
V
R
---------------
A
M
E
E
I
K
K
I
-------
F
----
T
P
E
F
R
N
R
L
D
N
I
I
W
F
D
H
L
S
T
D
V
I
H
Q
V
V
D
K
F
I
V
E
L
Q
V
Q
L
D
Q
K
G
V
S
L
E
V
S
Q
E
A
R
N
W
L
A
E
K
G
Y
D
R
A
M
G
A
R
P
M
A
R
V
I
Q
D
N
L
K
K
P
L
A
N
E
L
L
F
G
S
L
V
D
G
G
Q
V
T
V
A
L
DK
E
K
N
E
--
L
T
Y
G
-
F
Q
S
A
Q
K
------
122
HHSearch
91.84
39%
-100
- C4 -
1R6B
5
CLPA_ECOLI
X:
[1-750]
--
M
L
N
Q
E
L
E
L
S
L
N
M
A
F
A
R
A
R
E
H
R
H
E
F
M
T
V
E
H
L
L
L
A
L
L
--
S
N
P
S
---
A
R
E
A
L
E
A
C
S
VD
L
V
A
L
R
Q
E
L
E
A
F
I
E
Q
-
T
T
P
V
LPA
S
E
E
E
R
D
T
Q
P
T
L
S
F
Q
--
R
V
L
-------
Q
R
----
A
V
F
H
VQSS
G
R
N
E
----
V
T
G
A
N
V
L
V
A
I
F
S
E
Q
E
S
Q
A
A
Y
L
L
R
K
H
E
V
S
R
---
L
D
V
V
N
F
I
S
H
G
---------------------
L
E
N
F
T
T
N
L
N
Q
L
A
R
V
G
G
I
D
P
L
I
G
R
E
K
E
L
E
R
A
I
Q
V
L
C
R
R
R
K
N
N
P
L
L
V
G
E
S
G
V
G
K
T
A
I
A
E
G
L
A
W
R
I
V
Q
G
D
V
P
E
V
M
A
D
C
T
I
Y
S
L
D
I
G
---
A
G
T
K
Y
R
G
D
F
E
K
R
F
K
A
L
L
K
Q
-
L
E
Q
-
D
T
N
S
I
L
F
I
D
E
I
H
T
I
I
G
A
G
A
A
S
G
G
Q
V
D
A
A
N
L
I
K
P
L
L
S
S
G
K
I
R
V
I
G
S
T
T
Y
Q
E
F
S
N
I
F
E
K
D
R
A
L
A
R
R
F
Q
K
I
D
I
T
E
P
S
I
E
E
T
V
Q
I
I
N
G
L
K
P
K
Y
E
A
H
H
D
V
R
Y
T
A
K
A
V
R
A
A
V
E
L
A
V
K
Y
I
N
D
R
H
L
P
D
K
A
I
D
V
I
D
E
A
G
A
R
A
R
L
----
M
P
VS----------------------------------------------------------------------------------------
K
R
K
--------------------------------------------------------
K
T
V
---
N
--
V
A
D
I
E
S
V
V
A
R
I
A
R
--------------------------
I
P
E
K
S
V
S
Q
S
D
R
D
T
L
K
N
L
G
D
R
L
K
M
L
V
----------------------------
F
G
Q
D
K
A
I
E
A
L
T
E
A
I
K
M
A
R
A
---------------------
G
L
G
H
E
H
K
P
V
G
S
F
L
F
A
G
P
T
G
V
G
K
T
E
V
T
V
Q
L
S
K
A
L
---
G
---
I
E
L
L
---
R
F
D
M
S
E
Y
M
E
R
H
T
V
S
R
L
I
G
A
P
P
G
Y
V
G
F
D
Q
G
G
L
L
T
D
A
V
I
K
H
P
H
A
V
L
L
L
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
V
M
D
N
G
T
L
T
D
N
N
G
R
K
A
D
F
R
N
V
V
L
V
M
T
T
N
A
G
V
R
---------------
A
M
E
E
I
K
K
I
-------
F
----
T
P
E
F
R
N
R
L
D
N
I
I
W
F
D
H
L
S
T
D
V
I
H
Q
V
V
D
K
F
I
V
E
L
Q
V
Q
L
D
Q
K
G
V
S
L
E
V
S
Q
E
A
R
N
W
L
A
E
K
G
Y
D
R
A
M
G
A
R
P
M
A
R
V
I
Q
D
N
L
K
K
P
L
A
N
E
L
L
F
G
S
L
V
D
G
G
Q
V
T
V
A
L
--
D
K
E
K
NE
L
T
Y
G
F
Q
S
A
Q
K
-------
123
HHSearch
91.58
37%
-100
- C5 -
3PXI
-
CLPC_BACSU
A:
[3-805]
F
G
R
F
T
E
R
A
Q
K
V
L
A
L
A
Q
E
E
A
L
R
L
G
H
N
N
I
G
T
E
H
I
L
L
G
L
V
--
R
E
G
E
G
I
-
A
A
K
A
L
Q
A
L
G
LG
S
E
K
I
Q
K
E
V
E
S
L
I
G
R
-
G
Q
E
------
M
S
Q
T
I
H
Y
T
P
R
A
K
--
K
V
I
-------
E
L
----
S
M
D
E
ARKL
G
H
S
Y
----
V
G
T
E
H
I
L
L
G
L
I
R
E
G
E
G
V
A
A
R
V
L
N
N
L
G
V
S
L
---
N
K
A
R
Q
Q
V
L
Q
L
L
G
S
N
E
T
G
S
-----
N
S
N
A
N
T
P
T
L
D
S
L
A
R
D
L
T
A
I
A
K
E
D
S
L
D
P
V
I
G
R
S
K
E
I
Q
R
V
I
E
V
L
S
R
R
T
K
N
N
P
V
L
I
G
E
P
G
V
G
K
T
A
I
A
E
G
L
A
Q
Q
I
I
N
N
E
V
P
E
I
L
R
D
K
R
V
M
T
L
---------------
E
D
R
L
K
K
V
M
D
E
-
I
R
Q
-
A
G
N
I
I
L
F
I
D
A
---------------------
K
P
S
L
A
R
G
E
L
Q
C
I
G
A
T
T
L
D
E
Y
R
K
Y
I
E
K
D
A
A
L
E
R
R
F
Q
P
I
Q
V
D
Q
P
S
V
D
E
S
I
Q
I
L
Q
G
L
R
D
R
Y
E
A
H
H
R
V
S
I
T
D
D
A
I
E
A
A
V
K
L
S
D
R
Y
I
S
D
R
F
L
P
D
K
A
I
D
L
I
D
E
A
G
S
K
V
R
L
----
R
S
------------------------------------------------------------------------------------------
F
T
-PNLKELEQKLDEVRKEKDAAVQSQEFEKAASLRDTEQRLREQVEDTKKSWKEKQGQ-
E
V
---
T
--
V
D
D
I
A
M
V
V
S
S
W
T
---------------------------------
A
Q
T
E
T
D
K
L
L
N
M
E
N
I
L
H
S
R
V
----------------------------
I
G
Q
D
E
A
V
V
A
V
A
K
A
V
R
R
A
R
A
---------------------
G
L
K
D
P
K
R
P
I
G
S
F
I
F
L
G
P
T
G
V
G
K
T
E
L
A
R
A
L
A
E
S
I
---
F
GDE
E
S
M
I
---
R
I
D
M
S
E
Y
M
E
K
H
S
T
--------------
S
---
L
T
E
K
V
R
R
K
P
Y
S
V
V
L
L
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
V
L
E
D
G
R
L
T
-----
T
V
D
F
R
N
T
I
L
I
M
T
S
N
V
G
A
S
E
K
D
----------
K
-
V
M
G
E
L
K
R
A
-------
F
----
R
P
E
F
I
N
R
I
D
E
I
I
V
F
H
--
E
K
K
H
L
T
E
I
V
S
L
M
S
D
Q
L
T
K
R
L
K
E
Q
D
L
S
I
E
L
T
D
A
A
K
A
K
V
A
E
E
G
V
D
L
E
Y
G
A
R
P
L
R
R
A
I
Q
K
H
V
E
D
R
L
S
E
E
L
L
R
G
N
I
H
K
G
Q
H
I
V
L
D
V
--
E
D
G
E
--
F
V
V
K
T
T
A
----------
111
Fugue
87.51
34%
-92
- C4 -
1QVR
7
CLPB_THET8
A:
[4-850]
-
E
R
W
T
Q
A
A
R
E
A
L
A
Q
A
Q
V
L
A
Q
R
M
K
H
Q
A
I
D
L
P
H
L
W
A
V
L
L
KD
E
R
S
L
A
W
R
L
L
E
K
A
G
A
D
P
--
K
A
L
K
E
L
Q
E
R
E
L
A
R
L
--
P
K
V
---
E
G
A
E
V
G
Q
Y
L
T
S
R
L
S
--
G
A
L
-------
N
R
----
A
E
G
L
----
M
E
E
L
KDRY
V
A
V
D
T
L
V
L
A
L
A
E
A
T
P
G
L
P
G
----------------
L
E
A
L
K
G
A
L
K
E
L
R
G
G
R
T
V
Q
T
E
H
A
E
S
T
Y
N
A
L
E
Q
Y
G
I
D
L
T
R
L
A
A
E
G
K
L
D
P
V
I
G
R
D
E
E
I
R
R
V
I
Q
I
L
L
R
R
T
K
N
N
P
V
L
I
G
E
P
G
V
G
K
T
A
I
V
E
G
L
A
Q
R
I
V
K
G
D
V
P
E
G
L
K
G
K
R
I
V
S
L
Q
-----------
M
E
F
E
E
R
L
K
A
V
I
Q
E
-
V
V
Q
S
Q
G
E
V
I
L
F
I
D
E
--------------------
L
K
P
A
L
A
R
G
E
L
R
L
I
G
A
T
T
L
D
E
Y
R
E
I
-
E
K
D
P
A
L
E
R
R
F
Q
P
V
Y
V
D
E
P
T
V
E
E
T
I
S
I
L
R
G
L
K
E
K
Y
E
V
H
H
G
V
R
I
S
D
S
A
I
I
A
A
A
T
L
S
H
R
Y
I
T
E
R
R
L
P
D
K
A
I
D
L
I
D
E
A
A
A
R
L
R
M
----
A
L
E
S
A
P
E
E
I
D
A
L
E
R
K
K
L
Q
L
E
I
E
R
E
A
L
K
K
EKD
P
D
S
Q
E
RL
K
A
I
E
A
E
I
A
K
L
T
E
E
I
A
K
L
R
A
E
W
E
R
E
R
E
I
L
R
K
L
R
E
A
Q
H
R
L
D
E
V
R
R
E
I
E
L
A
E
R
Q
YDL
N
R
A
--------------------------------------------------------
A
E
L
R
Y
G
E
--
L
P
K
L
E
A
E
V
E
A
L
S
E
K
L
RGARFVRLEVT
E
E
D
I
A
E
I
V
S
R
W
TG
I
P
V
S
K
L
L
E
G
E
R
E
K
L
L
R
L
E
E
E
L
H
K
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
DT
E
---
E
A
M
I
---
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
--------------
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
L
I
L
E
G
L
Q
K
G
W
P
Y
E
R
-
I
R
D
E
V
F
K
V
-------
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
A
----------
7
PsiBlast_PDB
86.00
33%
-103
- C4 -
3PXI
-
CLPC_BACSU
A:
[5-804]
--
R
F
T
E
R
A
Q
K
V
L
A
L
A
Q
E
E
A
L
R
L
G
H
N
N
I
G
T
E
H
I
L
L
G
L
V
--
R
E
G
E
G
I
-
A
A
K
A
L
Q
A
L
G
--
L
G
S
-
E
K
I
Q
K
E
-
V
E
S
L
I
G
R
G
---
Q
E
M
S
Q
T
I
H
Y
T
P
R
A
K
--
K
V
I
ELSMDEA
R
K
----
L
G
H
S
----
Y
-------
V
G
T
E
H
I
L
L
G
L
I
R
E
G
E
G
V
A
A
R
V
L
N
N
L
G
V
S
L
---
N
K
A
R
Q
Q
V
L
Q
L
L
G
S
N
E
T
G
S
-----
N
S
N
A
N
T
P
T
L
D
S
L
A
R
D
L
T
A
I
A
K
E
D
S
L
D
P
V
I
G
R
S
K
E
I
Q
R
V
I
E
V
L
S
R
R
T
K
N
N
P
V
L
I
G
E
P
G
V
G
K
T
A
I
A
E
G
L
A
Q
Q
I
I
N
N
E
V
P
E
I
L
R
D
K
R
V
M
T
L
---------------
E
D
R
L
K
K
V
M
D
E
-
I
R
Q
-
A
G
N
I
I
L
F
I
D
-------------
A
--------
K
P
S
L
A
R
G
E
L
Q
C
I
G
A
T
T
L
D
E
Y
R
K
Y
I
E
K
D
A
A
L
E
R
R
F
Q
P
I
Q
V
D
Q
P
S
V
D
E
S
I
Q
I
L
Q
G
L
R
D
R
Y
E
A
H
H
R
V
S
I
T
D
D
A
I
E
A
A
V
K
L
S
D
R
Y
I
S
D
R
F
L
P
D
K
A
I
D
L
I
D
E
A
G
S
K
V
R
L
RSFT--------------------------------------------------------------------------------------------
P
N
L
--------------------------------------------------------
K
E
L
---
E
QK
L
D
E
V
R
K
E
K
D
A
A
V
Q
--------------------------
S
Q
E
F
----
E
K
A
A
S
L
R
D
T
E
Q
R
L
R
E
Q
V
EDTKKSWKEKQGQEVTVDDIAMVVSSWT-
A
Q
T
E
T
D
K
L
L
-
N
M
E
N
I
L
H
S
RVIGQDEAVVAVAKAVRRARA
G
L
K
D
P
K
R
P
I
G
S
F
I
F
L
G
P
T
G
V
G
K
T
E
L
A
R
A
L
A
E
S
I
---
F
---
G
D
E
E
SMI
R
I
D
M
S
E
Y
M
E
K
H
S
T
S
-----------------
L
T
E
K
V
R
R
K
P
Y
S
V
V
L
L
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
V
L
E
D
G
R
L
T
-----
T
V
D
F
R
N
T
I
L
I
M
T
S
N
V
G
A
S
E
K
D
----------
K
-
V
M
G
E
L
K
R
A
-------
F
----
R
P
E
F
I
N
R
I
D
E
I
I
V
F
H
--
E
K
K
H
L
T
E
I
V
S
L
M
S
D
Q
L
T
K
R
L
K
E
Q
D
L
S
I
E
L
T
D
A
A
K
A
K
V
A
E
E
G
V
D
L
E
Y
G
A
R
P
L
R
R
A
I
Q
K
H
V
E
D
R
L
S
E
E
L
L
R
G
N
I
H
K
G
Q
H
I
V
L
D
V
--
E
D
G
E
--
F
V
V
K
T
T
A
----------
14
PsiBlast_PDB
63.95
36%
-100
- C4 -
4LJ7
2
CLPB_THET8
A:
[30-322]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
R
E
K
L
L
R
L
E
E
E
L
H
K
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
Q
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
-----------
124
HHSearch
63.28
37%
-88
- C5 -
3PXG
-
CLPC_BACSU
A:
[3-424]
F
G
R
F
T
E
R
A
Q
K
V
L
A
L
A
Q
E
E
A
L
R
L
G
H
N
N
I
G
T
E
H
I
L
L
G
L
V
--
R
E
G
E
G
I
-
A
A
K
A
L
Q
A
L
G
LG
S
E
K
I
Q
K
E
V
E
S
L
I
G
R
-
G
Q
E
------
M
S
Q
T
I
H
Y
T
P
R
A
K
--
K
V
I
-------
E
L
----
S
M
D
E
ARKL
G
H
S
Y
----
V
G
T
E
H
I
L
L
G
L
I
R
E
G
E
G
V
A
A
R
V
L
N
N
L
G
V
S
L
---
N
K
A
R
Q
Q
V
L
Q
L
L
G
S
N
E
T
G
S
-----
N
S
N
A
N
T
P
T
L
D
S
L
A
R
D
L
T
A
I
A
K
E
D
S
L
D
P
V
I
G
R
S
K
E
I
Q
R
V
I
E
V
L
S
R
R
T
K
N
N
P
V
L
I
G
E
P
G
V
G
K
T
A
I
A
E
G
L
A
Q
Q
I
I
N
N
E
V
P
E
I
L
R
D
K
R
V
M
T
L
---------------
E
D
R
L
K
K
V
M
D
E
-
I
R
Q
-
A
G
N
I
I
L
F
I
D
A
---------------------
K
P
S
L
A
R
G
E
L
Q
C
I
G
A
T
T
L
D
E
Y
R
K
Y
I
E
K
D
A
A
L
E
R
R
F
Q
P
I
Q
V
D
Q
P
S
V
D
E
S
I
Q
I
L
Q
G
L
R
D
R
Y
E
A
H
H
R
V
S
I
T
D
D
A
I
E
A
A
V
K
L
S
D
R
Y
I
S
D
R
F
L
P
D
K
A
I
D
L
I
D
E
A
G
S
K
V
R
L
----
R
S
-------------------------------------------------------------------------------------------
F
T
--------------------------------------------------------
T
P
P
---
N
--
L
K
E
L
E
Q
K
L
D
E
V
R
K
--------------------------
E
K
D
A
A
V
Q
S
Q
E
F
E
K
A
A
S
L
R
D
T
E
Q
R
L
R
----------------------------
E
Q
V
E
D
T
K
K
S
W
K
E
K
Q
G
Q
E
N
S
---------------------
E
V
T
V
D
D
I
A
M
V
V
S
S
W
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
62.93
36%
-103
- C4 -
4LJ7
2
CLPB_THET8
B:
[34-322]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
L
R
L
E
E
E
L
H
K
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
Q
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
F
K
V
L
Q
QH
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
-----------
13
PsiBlast_PDB
62.54
36%
-101
- C4 -
4LJ5
1
A:
[5-331]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
---
T
--
E
E
D
I
A
E
I
V
S
R
W
T
G
--------------------------
I
P
V
S
K
L
L
----
E
K
L
L
R
L
E
E
E
L
H
K
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
-------
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
-----------
23
PsiBlast_CBE
62.10
36%
-103
- C4 -
4LJ7
2
C:
[34-322]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
L
R
L
E
E
E
L
H
K
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
Q
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
------
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
-----------
16
PsiBlast_PDB
61.97
35%
-97
- C4 -
4LJA
3
A:
[5-331]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
---
T
--
E
E
D
I
A
E
I
V
S
R
W
T
G
--------------------------
I
P
V
S
K
L
L
E
G
E
----
L
R
L
E
E
E
L
H
K
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
A
M
I
Q
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
-------
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
-----------
8
PsiBlast_PDB
61.79
38%
-92
- C4 -
3PXG
-
CLPC_BACSU
A:
[5-404]
--
R
F
T
E
R
A
Q
K
V
L
A
L
A
Q
E
E
A
L
R
L
G
H
N
N
I
G
T
E
H
I
L
L
G
L
V
--
R
E
G
E
G
I
-
A
A
K
A
L
Q
A
L
G
--
L
G
S
-
E
K
I
Q
K
E
-
V
E
S
L
I
G
R
G
---
Q
E
M
S
Q
T
I
H
Y
T
P
R
A
K
--
K
V
I
ELSMDEA
R
K
----
L
G
H
S
----
Y
-------
V
G
T
E
H
I
L
L
G
L
I
R
E
G
E
G
V
A
A
R
V
L
N
N
L
G
V
S
L
---
N
K
A
R
Q
Q
V
L
Q
L
L
G
S
N
E
T
G
S
-----
N
S
N
A
N
T
P
T
L
D
S
L
A
R
D
L
T
A
I
A
K
E
D
S
L
D
P
V
I
G
R
S
K
E
I
Q
R
V
I
E
V
L
S
R
R
T
K
N
N
P
V
L
I
G
E
P
G
V
G
K
T
A
I
A
E
G
L
A
Q
Q
I
I
N
N
E
V
P
E
I
L
R
D
K
R
V
M
T
L
---------------
E
D
R
L
K
K
V
M
D
E
-
I
R
Q
-
A
G
N
I
I
L
F
I
D
-------------
A
--------
K
P
S
L
A
R
G
E
L
Q
C
I
G
A
T
T
L
D
E
Y
R
K
Y
I
E
K
D
A
A
L
E
R
R
F
Q
P
I
Q
V
D
Q
P
S
V
D
E
S
I
Q
I
L
Q
G
L
R
D
R
Y
E
A
H
H
R
V
S
I
T
D
D
A
I
E
A
A
V
K
L
S
D
R
Y
I
S
D
R
F
L
P
D
K
A
I
D
L
I
D
E
A
G
S
K
V
R
L
----
R
S
------------------------------------------------------------------------------------------
F
T
T
--------------------------------------------------------
P
P
N
---
L
--
K
E
L
E
Q
K
L
D
E
V
R
K
E
--------------------------
K
D
A
A
V
Q
S
Q
E
F
E
K
A
A
S
L
R
D
T
E
Q
R
L
R
E
----------------------------
Q
V
E
D
T
K
K
S
W
K
E
K
Q
G
Q
E
N
S
E
---------------------
V
T
V
D
D
I
A
M
V
V
S
S
W
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
61.62
35%
-91
- C4 -
4LJ9
3
A:
[5-331]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
---
T
--
E
E
D
I
A
E
I
V
S
R
W
T
G
--------------------------
I
P
V
S
K
L
L
E
G
E
R
E
K
L
L
R
L
E
E
E
L
H
K
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
A
M
I
Q
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
-----------
25
PsiBlast_CBE
61.57
37%
-115
- C4 -
4FD2
1
D:
[15-302]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
AMI
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
FKVLQQH
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
A
R
V
--------
12
PsiBlast_PDB
61.10
36%
-103
- C4 -
4LJ4
1
A:
[5-331]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
---
T
--
E
E
D
I
A
E
I
V
S
R
W
T
G
--------------------------
I
P
V
S
K
L
L
E
G
E
-
E
K
L
L
R
L
E
E
E
L
H
K
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
------------
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
-----------
26
PsiBlast_CBE
60.70
37%
-112
- C4 -
4FD2
1
CLPB_THET8
B:
[15-302]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
AMI
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
FKVLQQH
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
A
R
V
--------
20
PsiBlast_PDB
60.60
36%
-110
- C4 -
4FCV
1
CLPB_THET8
A:
[18-305]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
M
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
M
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
M
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
A
R
V
--------
18
PsiBlast_PDB
60.43
37%
-112
- C4 -
4FD2
1
CLPB_THET8
A:
[15-302]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
V
----------------------------
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
---------------------
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
---
F
---
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
---
L
I
L
E
G
L
Q
K
G
W
P
-
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
----
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
--
G
P
A
G
--
L
V
F
A
V
P
A
R
V
--------
10
PsiBlast_PDB
60.38
51%
-101
- C4 -
4HSE
3
CLPB_THET8
A:
[16-254]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
Q
Y
G
I
D
L
T
R
L
A
A
E
G
K
L
D
P
V
I
G
R
D
E
E
I
R
R
V
I
Q
I
L
L
R
R
T
K
N
N
P
V
L
I
G
E
P
G
V
G
K
T
A
I
V
E
G
L
A
Q
R
I
V
K
G
D
V
P
E
G
L
K
G
K
R
I
V
S
L
Q
M
G
S
L
L
A
G
A
K
Y
R
G
E
F
E
E
R
L
K
A
V
I
Q
E
V
V
Q
S
-
Q
G
E
V
I
L
F
I
D
E
L
H
T
V
V
G
A
-------
V
D
A
G
N
M
L
K
P
A
L
A
R
G
E
L
R
L
I
G
A
T
T
L
D
E
Y
R
E
I
-
E
K
D
P
A
L
E
R
R
F
Q
P
V
Y
V
D
E
P
T
V
E
E
T
I
S
I
L
R
G
L
K
E
K
Y
E
V
H
H
G
V
R
I
S
D
S
A
I
I
A
A
A
T
L
S
H
R
Y
I
T
E
R
R
L
P
D
K
A
I
D
L
I
D
E
A
A
A
R
L
R
M
----
A
L
------------------------------------------------------------------------------------------
E
S
A
--------------------------------------------------------
P
E
E
---
I
--
D
A
L
E
R
K
K
L
Q
L
E
I
E
--------------------------
R
E
A
L
S
Q
E
R
L
K
A
I
E
A
E
I
A
K
L
T
E
E
I
A
K
----------------------------
L
R
A
E
W
E
R
E
R
E
I
L
R
K
L
R
E
A
Q
---------------------
H
R
L
D
E
V
R
R
E
I
E
L
A
E
R
Q
Y
D
L
N
R
A
A
E
L
R
Y
G
E
L
P
K
L
---
E
---
A
E
V
E
---
A
L
S
E
K
L
R
G
A
R
F
V
R
L
E
V
T
E
E
D
I
A
E
I
V
S
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------