@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 : bsu14530: (2016-06-22 )
MKFVKNDQTAVFALGGLGEIGKNTYAVQFQDEIVLIDAGIKFPEDELLGIDYVIPDYTYLVKNEDKIKGLFITHGHEDHIGGIPYLLRQVNIPVYGGKLAIGLLRNKLEEHGLLRQTKLNIIGEDDIVKFRKTAVSFFRTTHSIPDSYGIVVKTPPGNIVHTGDFKFDFTPVGEPANLTKMAEIGKEGVLCLLSDSTNSENPEFTMSERRVGESIHDIFRKVDGRIIFATFASNIHRLQQVIEAAVQNGRKVAVFGRSMESAIEIGQTLGYINCPKNTFIEHNEINRMPANKVTILCTGSQGEPMAALSRIANGTHRQISINPGDTVVFSSSPIPGNTISVSRTINQLYRAGAEVIHGPLNDIHTSGHGGQEEQKLMLRLIKPKFFMPIHGEYRMQKMHVKLATDCGIPEENCFIMDNGEVLALKGDEASVAGKIPSGSVYIDGSGIGDIGNIVLRDRRILSEEGLVIVVVSIDMDDFKISAGPDLISRGFVYMRESGDLINDAQELISNHLQKVMERKTTQWSEIKNEITDTLAPFLYEKTKRRPMILPIIMEV
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...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKFVKND
Q
T
A
V
F
A
LGGLGEIGK
N
T
Y
A
V
Q
F
QD
E
I
V
L
I
DAGIKFPEDE
L
L
G
I
D
Y
VIPD
Y
T
Y
L
VKNEDK
I
K
G
L
F
I
THGHEDHIG
G
I
P
Y
L
L
-----
R
Q-V-----NIPVYG
G
K
L
A
I
G
L
L
R
N
K
L
E
E
HGL
L
-
R
Q
T
K
L
N
I
--IG
E
D
D
I
V
K
F
-
R
-
K
T
A
V
S
-
F
F
R
T
THSIPDSY
G
I
V
V
KTPPG
N
I
V
H
TGD
F
K
F
D
---
F
TPV-G---EPA
N
L
T
K
M
A
E
IGKE
G
V
L
C
L
LSDSTNSENP
E
F
T
M
S
E
R
R
V
G
E
S
I
H
D
I
F
R
KVDG
R
I
I
F
A
T
F
A
S
N
I
H
R
L
Q
Q
V
I
E
A
A
V
QNG
R
K
V
A
V
FGR
S
M
E
S
A
I
E
I
G
Q
TLGYINCPKNTFIEHNEINRMPA
N
K
V
T
I
L
C
TGSQG
E
P
M
A
A
L
S
R
I
ANGT
H
R
Q
I
S
INPG
D
T
V
V
F
SSSPIPGNT
I
S
V
S
R
T
I
N
Q
L
Y
R
A
G
A
E
V
IHGP
L
N
DIHTSGHGG
Q
E
E
Q
K
L
M
L
R
LIKP
K
F
F
MPIHGE
Y
R
M
Q
K
M
H
V
K
L
ATDCGIPEE
N
C
F
I
MDN
G
E
V
L
A
LKGDE
A
S
VAGKIPS
G
S
V
Y
I
DGSGIG
D
I
G
N
I
V
L
RDRRILSEE
G
L
V
I
V
V
V
S
IDMD
D
F
KISA
G
P
D
L
I
S
R
G
F
V
Y
MRES--GD
L
I
N
D
A
Q
E
L
I
S
N
H
L
Q
K
V
M
E
RKTT
Q
W
S
E
I
K
N
E
I
T
D
T
L
A
P
F
L
Y
E
K
TKRR
P
M
I
L
P
I
I
MEV
52
HHSearch
84.30
100%
-119
* C1 *
3ZQ4
4
RNJ1_BACSU
A:
[6-555]
-----
N
D
Q
T
A
V
F
A
L
G
G
L
G
E
I
G
K
N
T
Y
A
V
Q
F
Q
D
E
I
V
L
I
D
A
G
I
K
F
P
E
D
E
L
L
G
I
D
Y
V
I
P
D
Y
T
Y
L
V
K
N
E
D
K
I
K
G
L
F
I
T
H
G
H
E
D
H
I
G
G
I
P
Y
L
L
-----
R
Q
-
V
-----
N
I
P
V
Y
G
G
K
L
A
I
G
L
L
R
N
K
L
E
E
H
G
L
L
-
R
Q
T
K
L
N
I
--
I
G
E
D
D
I
V
K
F
-
R
-
K
T
A
V
S
-
F
F
R
T
T
H
S
I
P
D
S
Y
G
I
V
V
K
T
P
P
G
N
I
V
H
T
G
D
F
K
F
D
---
F
T
P
V
-
G
---
E
P
A
N
L
T
K
M
A
E
I
G
K
E
G
V
L
C
L
L
S
D
S
T
N
S
E
N
P
E
F
T
M
S
E
R
R
V
G
E
S
I
H
D
I
F
R
K
V
D
G
R
I
I
F
A
T
F
A
S
N
I
H
R
L
Q
Q
V
I
E
A
A
V
Q
N
G
R
K
V
A
V
F
G
R
S
M
E
S
A
I
E
I
G
Q
T
L
G
Y
I
N
C
P
K
N
T
F
I
E
H
N
E
I
N
R
M
P
A
N
K
V
T
I
L
C
T
G
S
Q
G
E
P
M
A
A
L
S
R
I
A
N
G
T
H
R
Q
I
S
I
N
P
G
D
T
V
V
F
S
S
S
P
I
P
G
N
T
I
S
V
S
R
T
I
N
Q
L
Y
R
A
G
A
E
V
I
H
G
P
L
N
D
I
H
T
S
G
H
G
G
Q
E
E
Q
K
L
M
L
R
L
I
K
P
K
F
F
M
P
I
H
G
E
Y
R
M
Q
K
M
H
V
K
L
A
T
D
C
G
I
P
E
E
N
C
F
I
M
D
N
G
E
V
L
A
L
K
G
D
E
A
S
V
A
G
K
I
P
S
G
S
V
Y
I
D
G
S
G
I
G
D
I
G
N
I
V
L
R
D
R
R
I
L
S
E
E
G
L
V
I
V
V
V
S
I
D
M
D
D
F
K
I
S
A
G
P
D
L
I
S
R
G
F
V
Y
M
R
E
S
--
G
D
L
I
N
D
A
Q
E
L
I
S
N
H
L
Q
K
V
M
E
R
K
T
T
Q
W
S
E
I
K
N
E
I
T
D
T
L
A
P
F
L
Y
E
K
T
K
R
R
P
M
I
L
P
I
I
M
E
V
1
PsiBlast_PDB
84.08
100%
-119
- C1 -
3ZQ4
4
RNJ1_BACSU
A:
[6-555]
-----
N
D
Q
T
A
V
F
A
L
G
G
L
G
E
I
G
K
N
T
Y
A
V
Q
F
Q
D
E
I
V
L
I
D
A
G
I
K
F
P
E
D
E
L
L
G
I
D
Y
V
I
P
D
Y
T
Y
L
V
K
N
E
D
K
I
K
G
L
F
I
T
H
G
H
E
D
H
I
G
G
I
P
Y
L
L
-----
R
Q
-
V
-----
N
I
P
V
Y
G
G
K
L
A
I
G
L
L
R
N
K
L
E
E
H
G
L
L
-
R
Q
T
K
L
N
I
--
I
G
E
D
D
I
V
K
F
-
R
-
K
T
A
V
S
-
F
F
R
T
T
H
S
I
P
D
S
Y
G
I
V
V
K
T
P
P
G
N
I
V
H
T
G
D
F
K
F
D
---
F
T
P
V
-
G
---
E
P
A
N
L
T
K
M
A
E
I
G
K
E
G
V
L
C
L
L
S
D
S
T
N
S
E
N
P
E
F
T
M
S
E
R
R
V
G
E
S
I
H
D
I
F
R
K
V
D
G
R
I
I
F
A
T
F
A
S
N
I
H
R
L
Q
Q
V
I
E
A
A
V
Q
N
G
R
K
V
A
V
F
G
R
S
M
E
S
A
I
E
I
G
Q
T
L
G
Y
I
N
C
P
K
N
T
F
I
E
H
N
E
I
N
R
M
P
A
N
K
V
T
I
L
C
T
G
S
Q
G
E
P
M
A
A
L
S
R
I
A
N
G
T
H
R
Q
I
S
I
N
P
G
D
T
V
V
F
S
S
S
P
I
P
G
N
T
I
S
V
S
R
T
I
N
Q
L
Y
R
A
G
A
E
V
I
H
G
P
L
N
D
I
H
T
S
G
H
G
G
Q
E
E
Q
K
L
M
L
R
L
I
K
P
K
F
F
M
P
I
H
G
E
Y
R
M
Q
K
M
H
V
K
L
A
T
D
C
G
I
P
E
E
N
C
F
I
M
D
N
G
E
V
L
A
L
K
G
D
E
A
S
V
A
G
K
I
P
S
G
S
V
Y
I
D
G
S
G
I
G
D
I
G
N
I
V
L
R
D
R
R
I
L
S
E
E
G
L
V
I
V
V
V
S
I
D
M
D
D
F
K
I
S
A
G
P
D
L
I
S
R
G
F
V
Y
M
R
E
S
--
G
D
L
I
N
D
A
Q
E
L
I
S
N
H
L
Q
K
V
M
E
R
K
T
T
Q
W
S
E
I
K
N
E
I
T
D
T
L
A
P
F
L
Y
E
K
T
K
R
R
P
M
I
L
P
I
I
M
E
V
21
PsiBlast_CBE
83.93
100%
-122
- C1 -
3ZQ4
4
RNJ1_BACSU
E:
[6-555]
-----
N
D
Q
T
A
V
F
A
L
G
G
L
G
E
I
G
K
N
T
Y
A
V
Q
F
Q
D
E
I
V
L
I
D
A
G
I
K
F
P
E
D
E
L
L
G
I
D
Y
V
I
P
D
Y
T
Y
L
V
K
N
E
D
K
I
K
G
L
F
I
T
H
G
H
E
D
H
I
G
G
I
P
Y
L
L
-----
R
Q
-
V
-----
N
I
P
V
Y
G
G
K
L
A
I
G
L
L
R
N
K
L
E
E
H
G
L
L
-
R
Q
T
K
L
N
I
--
I
G
E
D
D
I
V
K
F
-
R
-
K
T
A
V
S
-
F
F
R
T
T
H
S
I
P
D
S
Y
G
I
V
V
K
T
P
P
G
N
I
V
H
T
G
D
F
K
F
D
---
F
T
P
V
-
G
---
E
P
A
N
L
T
K
M
A
E
I
G
K
E
G
V
L
C
L
L
S
D
S
T
N
S
E
N
P
E
F
T
M
S
E
R
R
V
G
E
S
I
H
D
I
F
R
K
V
D
G
R
I
I
F
A
T
F
A
S
N
I
H
R
L
Q
Q
V
I
E
A
A
V
Q
N
G
R
K
V
A
V
F
G
R
S
M
E
S
A
I
E
I
G
Q
T
L
G
Y
I
N
C
P
K
N
T
F
I
E
H
N
E
I
N
R
M
P
A
N
K
V
T
I
L
C
T
G
S
Q
G
E
P
M
A
A
L
S
R
I
A
N
G
T
H
R
Q
I
S
I
N
P
G
D
T
V
V
F
S
S
S
P
I
P
G
N
T
I
S
V
S
R
T
I
N
Q
L
Y
R
A
G
A
E
V
I
H
G
P
L
N
D
I
H
T
S
G
H
G
G
Q
E
E
Q
K
L
M
L
R
L
I
K
P
K
F
F
M
P
I
H
G
E
Y
R
M
Q
K
M
H
V
K
L
A
T
D
C
G
I
P
E
E
N
C
F
I
M
D
N
G
E
V
L
A
L
K
G
D
E
A
S
V
A
G
K
I
P
S
G
S
V
Y
I
D
G
S
G
I
G
D
I
G
N
I
V
L
R
D
R
R
I
L
S
E
E
G
L
V
I
V
V
V
S
I
D
M
D
D
F
K
I
S
A
G
P
D
L
I
S
R
G
F
V
--------
D
L
I
N
D
A
Q
E
L
I
S
N
H
L
Q
K
V
M
E
R
K
T
T
Q
W
S
E
I
K
N
E
I
T
D
T
L
A
P
F
L
Y
E
K
T
K
R
R
P
M
I
L
P
I
I
M
E
V
22
PsiBlast_CBE
83.36
100%
-121
- C1 -
3ZQ4
4
RNJ1_BACSU
D:
[6-555]
-----
N
D
Q
T
A
V
F
A
L
G
G
L
G
E
I
G
K
N
T
Y
A
V
Q
F
Q
D
E
I
V
L
I
D
A
G
I
K
F
P
E
D
E
L
L
G
I
D
Y
V
I
P
D
Y
T
Y
L
V
K
N
E
D
K
I
K
G
L
F
I
T
H
G
H
E
D
H
I
G
G
I
P
Y
L
L
-----
R
Q
-
V
-----
N
I
P
V
Y
G
G
K
L
A
I
G
L
L
R
N
K
L
E
E
H
G
L
L
-
R
Q
T
K
L
N
I
--
I
G
E
D
D
I
V
K
F
-
R
-
K
T
A
V
S
-
F
F
R
T
T
H
S
I
P
D
S
Y
G
I
V
V
K
T
P
P
G
N
I
V
H
T
G
D
F
K
F
D
---
F
T
P
V
-
G
---
E
P
A
N
L
T
K
M
A
E
I
G
K
E
G
V
L
C
L
L
S
D
S
T
N
S
E
N
P
E
F
T
M
S
E
R
R
V
G
E
S
I
H
D
I
F
R
K
V
D
G
R
I
I
F
A
T
F
A
S
N
I
H
R
L
Q
Q
V
I
E
A
A
V
Q
N
G
R
K
V
A
V
F
G
R
S
M
E
S
A
I
E
I
G
Q
T
L
G
Y
I
N
C
P
K
N
T
F
I
E
H
N
E
I
N
R
M
P
A
N
K
V
T
I
L
C
T
G
S
Q
G
E
P
M
A
A
L
S
R
I
A
N
G
T
H
R
Q
I
S
I
N
P
G
D
T
V
V
F
S
S
S
P
I
P
G
N
T
I
S
V
S
R
T
I
N
Q
L
Y
R
A
G
A
E
V
I
H
G
P
L
N
D
I
H
T
S
G
H
G
G
Q
E
E
Q
K
L
M
L
R
L
I
K
P
K
F
F
M
P
I
H
G
E
Y
R
M
Q
K
M
H
V
K
L
A
T
D
C
G
I
P
E
E
N
C
F
I
M
D
N
G
E
V
L
A
L
K
G
D
E
A
S
V
A
G
K
I
P
S
G
S
V
Y
I
D
G
S
G
I
G
D
I
G
N
I
V
L
R
D
R
R
I
L
S
E
E
G
L
V
I
V
V
V
S
I
D
M
D
D
F
K
I
S
A
G
P
D
L
I
S
R
G
F
V
--------
D
L
I
N
D
A
Q
E
L
I
S
N
H
L
Q
K
V
M
------
W
S
E
I
K
N
E
I
T
D
T
L
A
P
F
L
Y
E
K
T
K
R
R
P
M
I
L
P
I
I
M
E
V
23
PsiBlast_CBE
82.82
100%
-120
- C1 -
3ZQ4
4
RNJ1_BACSU
C:
[6-555]
-----
N
D
Q
T
A
V
F
A
L
G
G
L
G
E
I
G
K
N
T
Y
A
V
Q
F
Q
D
E
I
V
L
I
D
A
G
I
K
F
P
E
D
E
L
L
G
I
D
Y
V
I
P
D
Y
T
Y
L
V
K
N
E
D
K
I
K
G
L
F
I
T
H
G
H
E
D
H
I
G
G
I
P
Y
L
L
-----
R
Q
-
V
-----
N
I
P
V
Y
G
G
K
L
A
I
G
L
L
R
N
K
L
E
E
H
G
L
L
-
R
Q
T
K
L
N
I
--
I
G
E
D
D
I
V
K
F
-
R
-
K
T
A
V
S
-
F
F
R
T
T
H
S
I
P
D
S
Y
G
I
V
V
K
T
P
P
G
N
I
V
H
T
G
D
F
K
F
D
---
F
T
P
V
-
G
---
E
P
A
N
L
T
K
M
A
E
I
G
K
E
G
V
L
C
L
L
S
D
S
T
N
S
E
N
P
E
F
T
M
S
E
R
R
V
G
E
S
I
H
D
I
F
R
K
V
D
G
R
I
I
F
A
T
F
A
S
N
I
H
R
L
Q
Q
V
I
E
A
A
V
Q
N
G
R
K
V
A
V
F
G
R
S
M
E
S
A
I
E
I
G
Q
T
L
G
Y
I
N
C
P
K
N
T
F
I
E
H
N
E
I
N
R
M
P
A
N
K
V
T
I
L
C
T
G
S
Q
G
E
P
M
A
A
L
S
R
I
A
N
G
T
H
R
Q
I
S
I
N
P
G
D
T
V
V
F
S
S
S
P
I
P
G
N
T
I
S
V
S
R
T
I
N
Q
L
Y
R
A
G
A
E
V
I
H
G
P
L
N
D
I
H
T
S
G
H
G
G
Q
E
E
Q
K
L
M
L
R
L
I
K
P
K
F
F
M
P
I
H
G
E
Y
R
M
Q
K
M
H
V
K
L
A
T
D
C
G
I
P
E
E
N
C
F
I
M
D
N
G
E
V
L
A
L
K
G
D
E
A
S
V
A
G
K
I
P
S
G
S
V
Y
I
D
G
S
G
I
G
D
I
G
N
I
V
L
R
D
R
R
I
L
S
E
E
G
L
V
I
V
V
V
S
I
D
M
D
D
F
K
I
S
A
G
P
D
L
I
S
R
G
F
V
----------
I
N
D
A
Q
E
L
I
S
N
H
L
Q
K
V
M
E
R
K
T
T
Q
W
S
E
I
K
N
E
I
T
D
T
L
A
P
F
L
Y
E
K
T
K
R
R
P
M
I
L
P
I
I
M
E
V
54
HHSearch
67.25
44%
-113
- C1 -
3BK2
7
RNJ_THET2
A:
[14-561]
-----
Q
D
H
V
E
I
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
F
R
D
E
I
F
V
L
D
G
G
L
A
F
P
E
E
G
M
P
G
V
D
L
L
I
P
R
V
D
Y
L
I
E
H
R
H
K
I
K
A
W
V
L
T
H
G
H
E
D
H
I
G
G
L
P
F
L
L
-----
P
M
-
I
FGKES
P
V
P
I
Y
G
A
R
L
T
L
G
L
L
R
G
K
L
E
E
F
G
L
R
P
G
A
F
N
L
K
E
--
I
S
P
D
D
R
I
Q
V
-
G
R
Y
F
T
L
D
-
L
F
R
M
T
H
S
I
P
D
N
S
G
V
V
I
R
T
P
I
G
T
I
V
H
T
G
D
F
K
L
D
---
P
T
P
I
D
G
---
K
V
S
H
L
A
K
V
A
Q
A
G
A
E
G
V
L
L
L
I
A
D
A
T
N
A
E
R
P
G
Y
T
P
S
E
M
E
I
A
K
E
L
D
R
V
I
G
R
A
P
G
R
V
F
V
T
T
F
A
S
H
I
H
R
I
Q
S
V
I
W
A
A
E
K
Y
G
R
K
V
A
M
E
G
R
S
M
L
K
F
S
R
I
A
L
E
L
G
Y
L
K
V
K
D
-
R
L
Y
T
L
E
E
V
K
D
L
P
D
H
Q
V
L
I
L
A
T
G
S
Q
G
Q
P
M
S
V
L
H
R
L
A
F
E
G
H
A
K
M
A
I
K
P
G
D
T
V
I
L
S
S
S
P
I
P
G
N
E
E
A
V
N
R
V
I
N
R
L
Y
A
L
G
A
Y
V
L
Y
P
P
T
Y
K
V
H
A
S
G
H
A
S
Q
E
E
L
K
L
I
L
N
L
T
T
P
R
F
F
L
P
W
H
G
E
V
R
H
Q
M
N
F
K
W
L
A
E
S
M
S
R
P
P
E
K
T
L
I
G
E
N
G
A
V
Y
R
L
T
R
E
T
F
E
K
V
G
E
V
P
H
G
V
L
Y
V
D
G
L
G
V
G
D
I
T
E
E
I
L
A
D
R
R
H
M
A
E
E
G
L
V
V
I
T
A
L
A
G
E
D
-
P
----
V
V
E
V
V
S
R
G
F
V
K
A
G
E
----
R
L
L
G
E
V
R
R
M
A
L
E
A
L
K
N
G
V
R
-
E
K
K
P
L
E
R
I
R
D
D
I
Y
Y
P
V
K
K
F
L
K
K
A
T
G
R
D
P
M
I
L
P
V
V
I
E
-
5
PsiBlast_PDB
66.14
43%
-108
- C1 -
3BK2
7
RNJ_THET2
A:
[14-561]
-----
Q
D
H
V
E
I
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
F
R
D
E
I
F
V
L
D
G
G
L
A
F
P
E
E
G
M
P
G
V
D
L
L
I
P
R
V
D
Y
L
I
E
H
R
H
K
I
K
A
W
V
L
T
H
G
H
E
D
H
I
G
G
L
P
F
L
L
P
M
I
FG
K
E
-
S
-----
P
V
P
I
Y
G
A
R
L
T
L
G
L
L
R
G
K
L
E
E
F
G
L
--
R
P
G
A
F
N
L
K
E
I
S
P
D
D
R
I
Q
V
G
R
-
Y
F
T
L
D
-
L
F
R
M
T
H
S
I
P
D
N
S
G
V
V
I
R
T
P
I
G
T
I
V
H
T
G
D
F
K
L
D
---
P
T
P
I
D
G
---
K
V
S
H
L
A
K
V
A
Q
A
G
A
E
G
V
L
L
L
I
A
D
A
T
N
A
E
R
P
G
Y
T
P
S
E
M
E
I
A
K
E
L
D
R
V
I
G
R
A
P
G
R
V
F
V
T
T
F
A
S
H
I
H
R
I
Q
S
V
I
W
A
A
E
K
Y
G
R
K
V
A
M
E
G
R
S
M
L
K
F
S
R
I
A
L
E
L
G
Y
L
K
V
-
K
D
R
L
Y
T
L
E
E
V
K
D
L
P
D
H
Q
V
L
I
L
A
T
G
S
Q
G
Q
P
M
S
V
L
H
R
L
A
F
E
G
H
A
K
M
A
I
K
P
G
D
T
V
I
L
S
S
S
P
I
P
G
N
E
E
A
V
N
R
V
I
N
R
L
Y
A
L
G
A
Y
V
L
Y
P
P
T
Y
K
V
H
A
S
G
H
A
S
Q
E
E
L
K
L
I
L
N
L
T
T
P
R
F
F
L
P
W
H
G
E
V
R
H
Q
M
N
F
K
W
L
A
E
S
M
S
R
P
P
E
K
T
L
I
G
E
N
G
A
V
Y
R
L
T
R
E
T
F
E
K
V
G
E
V
P
H
G
V
L
Y
V
D
G
L
G
V
G
D
I
T
E
E
I
L
A
D
R
R
H
M
A
E
E
G
L
V
V
I
T
A
L
A
G
E
D
P
V
V
-----
E
V
V
S
R
G
F
V
K
A
G
E
R
L
L
G
E
V
R
R
M
A
L
E
A
L
K
N
---
G
V
R
E
K
K
P
L
E
--
R
I
R
D
D
I
Y
Y
P
V
K
K
F
L
K
K
A
T
G
R
D
P
M
I
L
P
V
V
I
E
-
24
PsiBlast_CBE
66.01
39%
-113
- C1 -
4XWW
6
?
B:
[21-558]
----------
V
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
Y
G
D
E
I
V
V
V
D
G
G
L
A
F
P
K
A
H
Q
M
G
I
D
L
I
V
P
R
I
D
Y
L
L
E
H
Q
D
K
I
K
G
W
I
L
T
H
G
H
E
D
H
I
G
G
L
P
Y
I
F
A
----
R
L
-
P
-----
R
V
P
V
Y
G
L
P
L
T
L
A
L
V
R
E
K
L
S
E
F
G
L
--
Q
D
V
D
L
R
E
--
V
T
Y
G
D
E
V
R
F
-
G
-
Q
S
F
V
A
E
F
F
C
M
T
H
S
I
P
D
N
A
G
Y
I
L
K
T
P
V
G
D
V
L
H
T
G
D
F
K
I
D
PDV
G
T
G
A
-
G
---
I
V
S
D
L
E
R
V
E
Q
A
G
K
D
G
V
L
L
L
I
S
D
S
T
N
A
E
R
P
G
H
T
P
S
E
A
E
I
A
R
N
L
E
E
I
I
K
G
C
R
G
R
V
F
L
T
T
F
A
S
Q
V
Y
R
I
Q
N
I
L
D
L
A
H
R
Q
G
R
R
V
V
M
E
G
R
S
M
I
K
Y
A
Q
A
A
Q
A
T
G
H
M
N
P
P
E
-
P
F
L
T
S
E
E
V
G
E
L
Q
D
Q
Q
V
L
F
V
C
T
G
S
Q
G
Q
P
M
A
V
L
G
R
L
A
F
G
T
H
A
K
I
A
L
R
R
G
D
T
V
I
L
S
S
N
P
I
P
G
N
E
D
A
V
N
L
I
V
N
R
L
Y
E
I
G
V
D
V
V
Y
P
P
T
Y
R
V
H
A
S
G
H
A
S
Q
E
E
L
A
T
I
L
N
L
T
R
P
K
F
F
L
P
W
H
G
E
P
R
H
Q
I
N
H
A
K
L
A
Q
T
L
P
R
P
P
K
R
T
L
I
A
K
N
G
D
I
V
N
L
G
P
D
E
F
R
V
S
G
T
V
A
A
G
A
V
Y
V
D
G
L
G
V
G
D
V
N
D
D
V
L
L
D
R
V
N
L
S
Q
E
G
L
L
I
L
T
A
V
L
-----
H
P
T
P
H
V
E
V
V
A
R
G
F
A
--
R
P
N
--
R
D
L
E
L
Q
I
R
R
V
A
L
E
A
V
E
Q
G
L
-
R
E
K
K
R
L
E
D
V
R
D
D
M
Y
G
A
V
R
R
F
T
R
K
A
T
G
R
N
P
V
L
I
P
M
I
V
--
3
PsiBlast_PDB
65.81
43%
-110
- C1 -
3T3O
3
RNJ_THET2
A:
[15-562]
-----
Q
D
H
V
E
I
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
F
R
D
E
I
F
V
L
D
G
G
L
A
F
P
E
E
G
M
P
G
V
D
L
L
I
P
R
V
D
Y
L
I
E
H
R
H
K
I
K
A
W
V
L
T
H
G
A
E
D
H
I
G
G
L
P
F
L
L
P
M
I
FG
K
E
-
S
-----
P
V
P
I
Y
G
A
R
L
T
L
G
L
L
R
G
K
L
E
E
F
G
L
--
R
P
G
A
F
N
L
K
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I
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P
D
D
R
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Q
V
G
R
-
Y
F
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-
L
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S
G
V
V
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H
T
G
D
F
K
L
D
---
P
T
P
I
D
G
---
K
V
S
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V
A
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A
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A
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L
L
L
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H
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A
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Y
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P
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G
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L
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P
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L
G
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R
H
M
A
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G
L
V
V
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A
L
A
G
E
D
P
V
V
-----
E
V
V
S
R
G
F
V
K
A
G
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R
L
L
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R
R
M
A
L
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A
L
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N
---
G
V
R
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K
P
L
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--
R
I
R
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K
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L
K
K
A
T
G
R
D
P
M
I
L
P
V
V
I
E
-
6
PsiBlast_PDB
65.34
39%
-112
- C1 -
4XWT
6
?
A:
[21-558]
----------
V
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
Y
G
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G
L
P
Y
I
F
A
----
R
L
-
P
-----
R
V
P
V
Y
G
L
P
L
T
L
A
L
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R
E
K
L
S
E
F
G
L
--
Q
D
V
D
L
R
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--
V
T
Y
G
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-
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PDV
G
T
G
A
-
G
---
I
V
S
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L
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Q
A
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L
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G
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N
D
D
V
L
L
D
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V
N
L
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Q
E
G
L
L
I
L
T
A
V
L
-----
H
P
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V
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V
V
A
R
G
F
A
--
R
P
N
--
R
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R
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K
A
T
G
R
N
P
V
L
I
P
M
I
V
--
7
PsiBlast_PDB
65.08
39%
-107
- C1 -
4XWW
6
?
A:
[21-559]
----------
V
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
Y
G
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K
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K
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W
I
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G
H
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H
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G
L
P
Y
I
F
A
----
R
L
-
P
-----
R
V
P
V
Y
G
L
P
L
T
L
A
L
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R
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K
L
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F
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D
L
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--
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G
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PDV
G
T
G
A
-
G
---
I
V
S
D
L
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V
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A
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L
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R
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L
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G
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A
A
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A
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Y
V
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G
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D
V
L
L
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N
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G
L
L
I
L
T
A
V
L
-----
H
P
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A
R
G
F
A
--
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N
--
R
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A
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R
N
P
V
L
I
P
M
I
V
D
-
4
PsiBlast_PDB
65.07
43%
-105
- C1 -
3BK1
7
RNJ_THET2
A:
[14-561]
-----
Q
D
H
V
E
I
I
P
L
G
G
M
G
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K
N
I
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H
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H
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G
L
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L
L
P
M
I
FG
K
E
-
S
-----
P
V
P
I
Y
G
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L
T
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L
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L
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F
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--
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---
P
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---
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R
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A
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P
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E
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R
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M
I
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P
V
V
I
E
-
55
HHSearch
65.01
39%
-104
- C1 -
4XWW
6
?
A:
[15-559]
----
P
A
P
T
L
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V
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G
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H
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G
L
P
Y
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A
R
-
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P----
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Y
G
A
V
R
R
F
T
R
K
A
T
G
R
N
P
V
L
I
P
M
I
V
D
-
25
PsiBlast_CBE
65.01
39%
-110
- C1 -
4XWT
7
?
B:
[21-558]
----------
V
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
Y
G
D
E
I
V
V
V
D
G
G
L
A
F
P
K
A
H
Q
M
G
I
D
L
I
V
P
R
I
D
Y
L
L
E
H
Q
D
K
I
K
G
W
I
L
T
H
G
H
E
D
H
I
G
G
L
P
Y
I
F
A----
R
L
-
P
-----
R
V
P
V
Y
G
L
P
L
T
L
A
L
V
R
E
K
L
S
E
F
G
L
--
Q
D
V
D
L
R
E
--
V
T
Y
G
D
E
V
R
F
-
G
-
Q
S
F
V
A
E
F
F
C
M
T
H
S
I
P
D
N
A
G
Y
I
L
K
T
P
V
G
D
V
L
H
T
G
D
F
K
I
D
PDV
G
T
G
A
-
G
---
I
V
S
D
L
E
R
V
E
Q
A
G
K
D
G
V
L
L
L
I
S
D
S
T
N
A
E
R
P
G
H
T
P
S
E
A
E
I
A
R
N
L
E
E
I
I
K
G
C
R
G
R
V
F
L
T
T
F
A
S
Q
V
Y
R
I
Q
N
I
L
D
L
A
H
R
Q
G
R
R
V
V
M
E
G
R
S
M
I
K
Y
A
Q
A
A
Q
A
T
G
H
M
N
P
P
E
-
P
F
L
T
S
E
E
V
G
E
L
Q
D
Q
Q
V
L
F
V
C
T
G
S
Q
G
Q
P
M
A
V
L
G
R
L
A
F
G
T
H
A
K
I
A
L
R
R
G
D
T
V
I
L
S
S
N
P
I
P
G
N
E
D
A
V
N
L
I
V
N
R
L
Y
E
I
G
V
D
V
V
Y
P
P
T
Y
R
V
H
A
S
G
H
A
S
Q
E
E
L
A
T
I
L
N
L
T
R
P
K
F
F
L
P
W
H
G
E
P
R
H
Q
I
N
H
A
K
L
A
Q
T
L
P
R
P
P
K
R
T
L
I
A
K
N
G
D
I
V
N
L
G
P
D
E
F
R
V
S
G
T
V
A
A
G
A
V
Y
V
D
G
L
G
V
G
D
V
N
D
D
V
L
L
D
R
V
N
L
S
Q
E
G
L
L
I
L
T
A
V
L
-----
H
P
T
P
H
V
E
V
V
A
R
G
F
A
--
R
P
N
--
R
D
L
E
L
Q
I
R
R
V
A
L
E
A
V
E
Q
G
L
-
R
E
K
K
R
L
E
D
V
R
D
D
M
Y
G
A
V
R
R
F
T
R
K
A
T
G
R
N
P
V
L
I
P
M
I
V
--
2
PsiBlast_PDB
64.68
43%
-112
- C1 -
3T3N
2
RNJ_THET2
A:
[15-562]
-----
Q
D
H
V
E
I
I
P
L
G
G
M
G
E
I
G
K
N
I
T
V
F
R
F
R
D
E
I
F
V
L
D
G
G
L
A
F
P
E
E
G
M
P
G
V
D
L
L
I
P
R
V
D
Y
L
I
E
H
R
H
K
I
K
A
W
V
L
T
H
G
A
E
D
H
I
G
G
L
P
F
L
L
P
M
I
FG
K
E
-
S
-----
P
V
P
I
Y
G
A
R
L
T
L
G
L
L
R
G
K
L
E
E
F
G
L
--
R
P
G
A
F
N
L
K
E
I
S
P
D
D
R
I
Q
V
G
R
-
Y
F
T
L
D
-
L
F
R
M
T
H
S
I
P
D
N
S
G
V
V
I
R
T
P
I
G
T
I
V
H
T
G
D
F
K
L
D
---
P
T
P
I
D
G
---
K
V
S
H
L
A
K
V
A
Q
A
G
A
E
G
V
L
L
L
I
A
D
A
T
N
A
E
R
P
G
Y
T
P
S
E
M
E
I
A
K
E
L
D
R
V
I
G
R
A
P
G
R
V
F
V
T
T
F
A
S
H
I
H
R
I
Q
S
V
I
W
A
A
E
K
Y
G
R
K
V
A
M
E
G
R
S
M
L
K
F
S
R
I
A
L
E
L
G
Y
L
K
V
-
K
D
R
L
Y
T
L
E
E
V
K
D
L
P
D
H
Q
V
L
I
L
A
T
G
S
Q
G
Q
P
M
S
V
L
H
R
L
A
F
E
G
H
A
K
M
A
I
K
P
G
D
T
V
I
L
S
S
S
P
I
P
G
N
E
E
A
V
N
R
V
I
N
R
L
Y
A
L
G
A
Y
V
L
Y
P
P
T
Y
K
V
H
A
S
G
H
A
S
Q
E
E
L
K
L
I
L
N
L
T
T
P
R
F
F
L
P
W
H
G
E
V
R
H
Q
M
N
F
K
W
L
A
E
S
M
S
R
P
P
E
K
T
L
I
G
E
N
G
A
V
Y
R
L
T
R
E
T
F
E
K
V
G
E
V
P
H
G
V
L
Y
V
D
G
L
G
V
G
D
I
T
E
E
I
L
A
D
R
R
H
M
A
E
E
G
L
V
V
I
T
A
L
A
G
E
D
P
V
V
-----
E
V
V
S
R
G
F
V
K
A
G
E
R
L
L
G
E
V
R
R
M
A
L
E
A
L
K
N
---
G
V
R
E
K
K
P
L
E
--
R
I
R
D
D
I
Y
Y
P
V
K
K
F
L
K
K
A
T
G
R
D
P
M
I
L
P
V
V
I
E
-
27
PsiBlast_CBE
58.89
39%
-117
- C1 -
5A0T
4
?
B:
[21-452]
----------
V
T
P
L
G
G
L
G
E
I
G
R
N
M
T
V
F
E
Y
G
G
R
L
L
I
V
D
C
G
V
L
F
P
E
E
E
Q
P
G
I
D
L
I
L
P
D
F
T
S
I
R
D
R
L
D
D
I
E
G
I
V
L
T
H
G
H
E
D
H
I
G
G
V
P
F
L
L
-----
R
E
K
P
-----
D
I
P
L
I
G
S
K
L
T
L
A
L
I
E
A
K
L
Q
E
H
-
R
I
-
R
P
Y
T
L
E
V
---
A
E
G
H
R
E
R
V
-
G
-
P
F
D
C
E
-
F
V
A
V
N
H
S
I
P
D
A
L
A
V
A
I
R
T
P
A
G
M
V
V
H
T
G
D
F
K
M
D
---
Q
L
P
L
D
G
---
R
L
T
D
L
H
A
F
A
R
L
S
E
E
G
I
D
L
L
L
A
D
S
T
N
A
E
V
P
G
F
V
P
P
E
R
D
I
S
N
V
L
R
Q
V
F
A
N
A
R
K
R
I
I
V
A
S
F
A
S
H
V
H
R
I
Q
Q
I
L
D
A
A
H
E
Y
G
R
R
V
A
F
V
G
R
S
M
V
R
N
M
G
I
A
R
D
L
G
Y
L
K
V
P
P
G
L
V
V
D
V
K
T
L
D
D
L
P
D
S
E
V
V
L
V
C
T
G
S
Q
G
E
P
M
A
A
L
S
R
M
A
N
R
D
H
-
Q
I
R
I
V
N
G
D
T
V
I
L
A
S
S
L
I
P
G
N
E
N
A
V
Y
R
V
I
N
G
L
T
R
W
G
A
N
V
V
H
K
G
N
A
K
V
H
V
S
G
H
A
S
A
G
E
L
L
Y
F
Y
N
I
C
R
P
K
N
L
M
P
V
H
G
E
W
R
H
L
R
A
N
A
E
L
G
A
L
T
G
V
P
H
D
R
I
V
I
A
E
D
G
V
V
V
D
L
V
E
G
K
A
K
I
T
G
K
V
Q
A
G
Y
V
Y
V
D
------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
58.04
39%
-113
- C1 -
5A0V
4
?
B:
[21-452]
----------
V
T
P
L
G
G
L
G
E
I
G
R
N
M
T
V
F
E
Y
G
G
R
L
L
I
V
D
C
G
V
L
F
P
E
E
E
Q
P
G
I
D
L
I
L
P
D
F
T
S
I
R
D
R
L
D
D
I
E
G
I
V
L
T
H
G
H
E
D
H
I
G
G
V
P
F
L
L
-----
R
E
K
P
-----
D
I
P
L
I
G
S
K
L
T
L
A
L
I
E
A
K
L
Q
E
H
-
R
I
-
R
P
Y
T
L
E
V
---
A
E
G
H
R
E
R
V
-
G
-
P
F
D
C
E
-
F
V
A
V
N
H
S
I
P
D
A
L
A
V
A
I
R
T
P
A
G
M
V
V
H
T
G
D
F
K
M
D
---
Q
L
P
L
D
G
---
R
L
T
D
L
H
A
F
A
R
L
S
E
E
G
I
D
L
L
L
A
D
S
T
N
A
E
V
P
G
F
V
P
P
E
R
D
I
S
N
V
L
R
Q
V
F
A
N
A
R
K
R
I
I
V
A
S
F
A
S
H
V
H
R
I
Q
Q
I
L
D
A
A
H
E
Y
G
R
R
V
A
F
V
G
R
S
M
V
R
N
M
G
I
A
R
D
L
G
Y
L
K
V
P
P
G
L
V
V
D
V
K
T
L
D
D
L
P
D
S
E
V
V
L
V
C
T
G
S
Q
G
E
P
M
A
A
L
S
R
M
A
N
R
D
H
-
Q
I
R
I
V
N
G
D
T
V
I
L
A
S
S
L
I
P
G
N
E
N
A
V
Y
R
V
I
N
G
L
T
R
W
G
A
N
V
V
H
K
G
N
A
K
V
H
V
S
G
H
A
S
A
G
E
L
L
Y
F
Y
N
I
C
R
P
K
N
L
M
P
V
H
G
E
W
R
H
L
R
A
N
A
E
L
G
A
L
T
G
V
P
H
D
R
I
V
I
A
E
D
G
V
V
V
D
L
V
E
G
K
A
K
I
T
G
K
V
Q
A
G
Y
V
Y
V
D
------------------------------------------------------------------------------------------------------------------
53
HHSearch
57.96
39%
-112
- C1 -
5A0T
4
?
A:
[13-455]
--
A
L
P
K
G
G
L
R
V
T
P
L
G
G
L
G
E
I
G
R
N
M
T
V
F
E
Y
G
G
R
L
L
I
V
D
C
G
V
L
F
P
E
E
E
Q
P
G
I
D
L
I
L
P
D
F
T
S
I
R
D
R
L
D
D
I
E
G
I
V
L
T
H
G
H
E
D
H
I
G
G
V
P
F
L
L
-----
R
E
-
K
P----
D
I
P
L
I
G
S
K
L
T
L
A
L
I
E
A
K
L
Q
E
H
R
I
R
-
P
--
Y
T
L
E
--
V
A
E
G
H
R
E
R
V
-
G
-
P
F
D
C
E
-
F
V
A
V
N
H
S
I
P
D
A
L
A
V
A
I
R
T
P
A
G
M
V
V
H
T
G
D
F
K
M
D
---
Q
L
P
L
D
G
---
R
L
T
D
L
H
A
F
A
R
L
S
E
E
G
I
D
L
L
L
A
D
S
T
N
A
E
V
P
G
F
V
P
P
E
R
D
I
S
N
V
L
R
Q
V
F
A
N
A
R
K
R
I
I
V
A
S
F
A
S
H
V
H
R
I
Q
Q
I
L
D
A
A
H
E
Y
G
R
R
V
A
F
V
G
R
S
M
V
R
N
M
G
I
A
R
D
L
G
Y
L
K
V
P
P
G
L
V
V
D
V
K
T
L
D
D
L
P
D
S
E
V
V
L
V
C
T
G
S
Q
G
E
P
M
A
A
L
S
R
M
A
N
R
D
H
Q
-
I
R
I
V
N
G
D
T
V
I
L
A
S
S
L
I
P
G
N
E
N
A
V
Y
R
V
I
N
G
L
T
R
W
G
A
N
V
V
H
K
G
N
A
K
V
H
V
S
G
H
A
S
A
G
E
L
L
Y
F
Y
N
I
C
R
P
K
N
L
M
P
V
H
G
E
W
R
H
L
R
A
N
A
E
L
G
A
L
T
G
V
P
H
D
R
I
V
I
A
E
D
G
V
V
V
D
L
V
E
G
K
A
K
I
T
G
K
V
Q
A
G
Y
V
Y
V
D
G
L
S
---------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
57.14
39%
-114
- C1 -
5A0V
3
?
A:
[21-455]
----------
V
T
P
L
G
G
L
G
E
I
G
R
N
M
T
V
F
E
Y
G
G
R
L
L
I
V
D
C
G
V
L
F
P
E
E
E
Q
P
G
I
D
L
I
L
P
D
F
T
S
I
R
D
R
L
D
D
I
E
G
I
V
L
T
H
G
H
E
D
H
I
G
G
V
P
F
L
L
-----
R
E
K
P
-----
D
I
P
L
I
G
S
K
L
T
L
A
L
I
E
A
K
L
Q
E
H
-
R
I
-
R
P
Y
T
L
E
V
---
A
E
G
H
R
E
R
V
-
G
-
P
F
D
C
E
-
F
V
A
V
N
H
S
I
P
D
A
L
A
V
A
I
R
T
P
A
G
M
V
V
H
T
G
D
F
K
M
D
---
Q
L
P
L
D
G
---
R
L
T
D
L
H
A
F
A
R
L
S
E
E
G
I
D
L
L
L
A
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A
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V
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G
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P
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L
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H
V
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D
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C
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M
A
A
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M
A
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-
Q
I
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N
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Y
V
Y
V
D
G
L
S
---------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
56.75
39%
-114
- C1 -
5A0T
4
?
A:
[21-455]
----------
V
T
P
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-----
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S
---------------------------------------------------------------------------------------------------------------