@TOME V2.3
(Nov 2016)
Ref.
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : jhp_0453: (2015-12-15 )
MQNYQSHSIKVLKGLEGVRKRPGMYIGDTNVGGLHHMVYEVVDNAVDESMAGFCDTINITLTEEGSCIVEDNGRGIPVDIHPTEKIPACTVVLTILHAGGKFDNDTYKVSGGLHGVGVSVVNALSKRLIMTIKKEGQIYRQEFEKGIPISELEIIGKTKSAKESGTTIEFFPDESVMEVVEFQAGILQKRFKEMAYLNDGLKISFKEEKTQLQETYFYKDGLKQFVKDSAKKELLTPIIAFKSMDEETRTSIEVALAYADDYNENTLSFVNNIKTSEGGTHEAGFKMGLSKAILQYIDNNIKTKESRPISEDIKEGLIAVVSLKMSEPLFEGQTKSKLGSSYARALVSKLVYDKIHQFLEENPNEAKIIANKALLAAKAREASKKARELTRKKDNLSVGTLPGKLADCQSKDPLESEIFLVEGDSAGGSAKQGRDRVFQAILPLKGKILNVEKSHLSKILKSEEIKNMITAFGCGIQESFDIERLRYHKIIIMTDADVDGSHIQTLLMTFFYRYLRPLIEQGHVFIAQAPLYKYKKGKTEIYLKDSVALDHFLIEHGINSVDIEGIGKNDLMNLLKVARHYRYTLLELEKRYNLLEVLRFLIETKDALSLDMKVLEKSILEKLEGLNYQILRSFATEESLHLHAQTPKGLVEFNLDDNLFKDVLFEEAHYTYQKLMEYNLDFLENKDILAFLEEVENYAKKGANIQRYKGLGEMNPNDLWETTMHKENRSLIKLKIEDLEKTDAVFSLCMGDEVEPRRAFIQAHAKDVKQLDV
Atome Classification :
(63 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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MQNYQSH
S
I
K
V
L
K
G
L
E
G
V
R
KRP
G
M
Y
IGDTN-V
G
-
G
L
H
H
M
V
Y
E
V
V
D
N
A
V
D
E
S
M
AGFC
D
T
I
N
I
T
L
TEEG
S
C
I
V
EDNG
R
G
I
P
V
DIHPTEKI
P
A
C
T
V
V
L
T
I
L
HAGGKFDND
T
Y
K
VSGGLH
G
V
G
V
S
V
V
N
A
L
S
K
R
L
I
M
T
I
KKE
G
Q
I
Y
R
Q
E
F
EK-GI-PI
S
E
L
E
I
IGKTKSAKESG
T
T
I
E
FFP
D
-
E
S
V
M
-
E
V
-
V
E
F
Q
A
G
I
L
Q
K
R
F
K
E
M
A
Y
LNDG
L
K
I
S
F
K
E
E
K
-
T
--
Q
---
L
-------------
Q
E
T
Y
F
Y
K
D
G
L
K
Q
F
V
K
--
D
S
A
K
-
K
E
-
L
L
T
--
P
I
I
--
A
FKSM
D
E
E
TR
T
S
I
E
V
A
L
A
Y
ADDY-NE-
N
T
L
-
S
F
V
N
NIKTSEGGTH
E
A
G
F
KM
G
L
S
K
A
I
L
Q
Y
I
D--NN--IKTKESR--P
I
S
E
D
I
K
E
G
L
I
A
V
V
SLKMSEPLFEGQ
T
K
S
K
L
G
S
S
Y
A
R
A
L
V
S
K
L
V
Y
D
K
I
H
Q
F
L
EENPNE
A
K
-
I
I
AN
K
A
L
L
A
A
K
A
R
E
A
S
K
K
A
R
E
L
T
RKKDNLSVGTLPGKLADCQSKDPLES
E
I
F
L
V
EGDSAGGSAK
Q
G
R
D
R
V
F
Q
A
I
LPLK
G
K
I
L
NV
E
K
S
H
L
S
K
I
L
K
S
E
E
I
K
N
M
I
T
A
F
GCGIQESF
D
I
E
R
L
R
Y
H
K
I
I
I
M
TDADVD
G
S
H
I
Q
T
L
L
M
T
F
F
Y
R
Y
L
R
P
L
I
EQG
H
V
F
I
AQAP
L
Y
KYKKG
K
T
E
I
Y
L
KD
S
V
A
L
D
H
F
L
I
E
HGINS
V
D
I
EGI
G
K
N
D
L
M
N
L
L
K
V
A
R
H
Y
R
Y
T
L
L
E
L
E
K
R
Y
N
L
L
E
V
L
R
F
L
IETK
D
A
L
S
L
D
M
K
V
L
E
K
S
I
L
E
K
LEGL
N
Y
Q
I
L
R
S
FATEE
S
L
H
L
H
AQTPK
G
L
V
E
FNLD
D
N
L
F
K
D
V
L
F
E
E
A
H
Y
T
Y
Q
K
L
M
E
YN
L
D
FLEN
K
D
I
L
A
F
L
E
E
V
E
N
Y
A
K
KGAN
I
Q
R
Y
KGLGEM
N
P
N
D
L
W
E
T
T
MHKEN
R
S
L
I
K
L
K
IEDLEK
T
D
A
V
F
S
L
CMGDE
V
E
P
R
R
A
F
I
Q
A
H
A
K
D
V
K
QLDV
27
PsiBlast_CBE
87.49
42%
-65
- C2 -
3ZKD
3
GYRB_MYCTU
D:
[17-428]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
V--------K
V
K
----------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
---
K
D
K
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
K
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
87.22
42%
-65
- C2 -
3ZKD
3
GYRB_MYCTU
A:
[17-429]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
---------HKVK---------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
-----
K
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
K
A
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
86.90
42%
-70
- C2 -
3ZKD
3
GYRB_MYCTU
F:
[17-426]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
V
T
-------K
V
K
----------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
K------
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
86.54
42%
-73
- C2 -
3ZKD
3
GYRB_MYCTU
G:
[17-425]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
V--------PHK
V
K
--------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL
L
----
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
86.51
42%
-66
- C2 -
3ZKB
4
GYRB_MYCTU
B:
[17-429]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
---------VK-----------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL
L
K
D
K
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
K
A
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
86.18
42%
-64
- C2 -
3ZKD
3
GYRB_MYCTU
C:
[17-426]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
V
T
--
Q
---
D
E
R
A
A
E
S
T
APHK
V
K
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL
L
K
--
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
85.97
42%
-64
- C2 -
3ZKD
3
GYRB_MYCTU
H:
[17-426]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
V
T
--
Q
----K
V
K
----------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL
L
---
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
85.83
42%
-65
- C2 -
3ZKD
3
GYRB_MYCTU
E:
[17-427]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
V
T
--
Q
----PHKV
K
--------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL
L
K
--
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
112
Fugue
85.76
45%
-59
- C2 -
1EI1
6
GYRB_ECOLI
A:
[1-391]
S
N
S
S
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
E
---
K
T
G
T
M
V
R
F
W
P
S
-
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
D
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
---
K
-------------
E
D
H
F
H
Y
E
G
G
I
K
A
F
V
E
--
Y
L
N
K
-
N
K
-
T
P
I
--
H
P
N
--
I
F
Y
F
S
T
E
K
D
G
I
G
V
E
V
A
L
Q
W
N
D
G
F
-
Q
E
-
N
I
Y
-
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
K
E
G
Y
--
S
K
K
A
K
V
S
--
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
L
E
N
P
T
D
A
K
-
I
V
V
G
K
I
I
D
A
A
R
A
R
E
A
A
R
R
A
R
E
M
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
113
Fugue
85.75
45%
-59
- C2 -
1EI1
6
GYRB_ECOLI
A:
[1-391]
S
N
S
S
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
D
G
T
-
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
-
L
E
T
F
T
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
D
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
---
K
-------------
E
D
H
F
H
Y
E
G
G
I
K
A
F
V
E
--
Y
L
N
K
-
N
K
-
T
P
I
--
H
P
N
--
I
F
Y
F
S
T
E
K
D
G
I
G
V
E
V
A
L
Q
W
N
D
G
F
-
Q
E
-
N
I
Y
-
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
K
E
G
Y
--
S
K
K
A
K
V
S
--
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
L
E
N
P
T
D
A
K
-
I
V
V
G
K
I
I
D
A
A
R
A
R
E
A
A
R
R
A
R
E
M
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
85.72
42%
-68
- C2 -
3ZKB
3
GYRB_MYCTU
A:
[17-428]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
---------PHK
V
K
--------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL
L
---
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
K
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
85.51
46%
-64
- C2 -
4WUB
5
GYRB_ECOLI
A:
[3-375]
--
S
Y
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
---
K
-------------
E
D
H
F
H
Y
E
G
G
I
K
A
F
V
E
--
Y
L
N
K
N
K
T
-
P
I
H
--
P
N
I
--
F
Y
F
S
T
-
E
K
D
G
I
G
V
E
V
A
L
Q
W
N
D
G
F
-
Q
E
-
N
I
Y
-
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
--
K
E
--
G
Y
S
----S-
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
L
E
N
P
T
D
A
K
-
I
V
V
G
K
I
I
D
A
A
R
A
R
E
A
A
R
R
A
R
E
M
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
85.05
42%
-66
- C2 -
3ZKB
4
GYRB_MYCTU
C:
[17-430]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
V--------A
P
H
K
V
K-------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL
L
K
D
K
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
K
A
R
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
84.89
42%
-72
- C2 -
3ZM7
2
GYRB_MYCTU
E:
[37-437]
--------------
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
--------------------
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
---------K------------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL
L
---
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
--
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
K
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
84.80
42%
-66
- C2 -
3ZKD
3
GYRB_MYCTU
B:
[17-425]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
V--------H
K
V
K
---------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL----
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
126
HHSearch
84.66
44%
-63
- C2 -
1KIJ
3
?
A:
[7-389]
-------
A
I
R
V
L
K
G
L
E
G
V
R
H
R
P
A
M
Y
I
G
G
T
G
-
V
E
-
G
Y
H
H
L
F
K
E
I
L
D
N
A
V
D
E
A
L
A
G
Y
A
T
E
I
L
V
R
L
N
E
D
G
S
L
T
V
E
D
N
G
R
G
I
P
V
D
L
M
P
E
E
G
K
P
A
V
E
V
I
Y
N
T
L
H
S
G
G
K
F
E
Q
G
A
Y
K
V
S
G
G
L
H
G
V
G
A
S
V
V
N
A
L
S
E
W
T
V
V
E
V
F
R
E
G
K
H
H
R
I
A
F
S
R
-
G
E
-
V
T
E
P
L
R
V
V
G
E
A
-
P
R
G
K
T
G
T
R
V
T
F
K
P
D
-
P
E
I
F
-
G
N
-
L
R
F
D
P
S
K
I
R
A
R
L
R
E
V
A
Y
L
V
A
G
L
K
L
V
F
Q
D
R
Q
-
H
--
G
---
K
-------------
E
E
V
F
L
D
K
G
G
V
A
S
F
A
K
--
A
L
A
E
-
G
E
D
L
L
Y
--
E
K
P
--
F
L
I
R
G
T
-
H
G
E
V
E
V
E
V
G
F
L
H
T
Q
G
Y
-
N
A
-
E
I
L
-
T
Y
A
N
M
I
P
T
R
D
G
G
T
H
L
T
A
F
K
S
A
Y
S
R
A
L
N
Q
Y
A
K
--
K
A
GL
N
K
E
K
G
P
Q
--
P
T
G
D
D
L
L
E
G
L
Y
A
V
V
S
V
K
L
P
N
P
Q
F
E
G
Q
T
K
G
K
L
L
N
P
E
A
G
T
A
V
G
Q
V
V
Y
E
R
L
L
E
I
L
E
E
N
P
R
I
A
K
-
A
V
Y
E
K
A
L
R
A
A
Q
A
R
E
A
A
R
K
A
R
E
L
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
84.34
42%
-66
- C2 -
3ZKB
3
GYRB_MYCTU
D:
[17-427]
---
Y
G
A
A
S
I
T
I
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
H
A
G
G
K
F
D
S
D
A
Y
A
I
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
V
T
--
Q
----STAPHK
V
K
-----
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL
L
K
D
K
D
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
G
Q
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
84.29
46%
-64
- C2 -
4WUD
4
GYRB_ECOLI
A:
[3-375]
--
S
Y
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
---
K
-------------
E
D
H
F
H
Y
E
G
G
I
K
A
F
V
E
--
Y
L
N
K
N
K
T
-
P
I
H
--
P
N
I
--
F
Y
F
S
T
-
E
K
D
G
I
G
V
E
V
A
L
Q
W
N
D
G
F
-
Q
E
-
N
I
Y
-
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
--
K
E
--
G
Y
S
----S-
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
L
E
N
P
T
D
A
K
-
I
V
V
G
K
I
I
D
A
A
R
A
R
E
A
A
R
R
A
R
E
M
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
84.29
46%
-64
- C2 -
4WUC
5
GYRB_ECOLI
A:
[3-375]
--
S
Y
D
S
S
S
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
---
K
-------------
E
D
H
F
H
Y
E
G
G
I
K
A
F
V
E
--
Y
L
N
K
N
K
T
-
P
I
H
--
P
N
I
--
F
Y
F
S
T
-
E
K
D
G
I
G
V
E
V
A
L
Q
W
N
D
G
F
-
Q
E
-
N
I
Y
-
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
--
K
E
--
G
Y
S
----S-
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
L
E
N
P
T
D
A
K
-
I
V
V
G
K
I
I
D
A
A
R
A
R
E
A
A
R
R
A
R
E
M
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
84.01
42%
-74
- C2 -
3ZM7
2
GYRB_MYCTU
C:
[36-436]
-------------
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
Y
A
T
T
V
N
V
V
L
L
E
D
G
G
V
E
V
A
D
D
G
R
G
I
P
V
A
T
H
A
S
-
G
I
P
T
V
D
V
V
M
T
Q
L
-------------------
V
G
V
S
V
V
N
A
L
S
T
R
L
E
V
E
I
K
R
D
G
Y
E
W
S
Q
V
Y
E
K
-
S
E
-
P
L
G
----
L
K
Q
G
A
P
T
K
K
T
G
S
T
V
R
F
W
A
D
-
P
A
V
F
-
E
T
-
T
E
Y
D
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
N
L
T
D
E
R
---------KV
K
----------
S
R
T
F
H
Y
P
G
G
L
V
D
F
V
K
H
I
N
R
T
K
-
N
A
-
I
H
S
--
S
I
V
--
D
F
S
G
--
K
G
T
G
H
E
V
E
I
A
M
Q
W
N
A
G
Y
-
S
E
-
S
V
H
-
T
F
A
N
T
I
N
T
H
E
G
G
T
H
E
E
G
F
R
S
A
L
T
S
V
V
N
K
Y
A
K
--
D
R
KL
L
K
D
--
P
N
--
L
T
G
D
D
I
R
E
G
L
A
A
V
I
S
V
K
V
S
E
P
Q
F
E
--
T
K
T
K
L
G
N
T
E
V
K
S
F
V
Q
K
V
C
N
E
Q
L
T
H
W
F
E
A
N
P
T
D
A
K
-
V
V
V
N
K
A
V
S
S
A
Q
A
R
I
A
A
R
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
80.75
45%
-58
- C2 -
1EI1
6
GYRB_ECOLI
B:
[9-375]
--------
I
K
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
D
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
---
K
-------------
E
D
H
F
H
Y
E
G
G
I
K
A
F
V
E
--
Y
L
N
K
N
K
T
-
P
I
H
--
P
N
I
--
F
Y
F
S
T
-
E
K
D
G
I
G
V
E
V
A
L
Q
W
N
D
G
F
-
Q
E
-
N
I
Y
-
C
F
T
N
N
I
P
Q
R
D
G
G
T
H
L
A
G
F
R
A
A
M
T
R
T
L
N
A
Y
M
D
--
K
E
--
G
Y
S
K
K
A
K
VS
A
T
G
D
D
A
R
E
G
L
I
A
V
V
S
V
K
V
P
D
P
K
F
S
S
Q
T
K
D
K
L
V
S
S
E
V
K
S
A
V
E
Q
Q
M
N
E
L
L
A
E
Y
L
L
E
N
P
T
D
A
K
-
I
V
V
G
K
I
I
D
A
A
R
A
R
E
A
A
R
R
A
R
E
M
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
79.09
39%
-70
- C2 -
4HYM
1
?
A:
[7-377]
------
K
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
---
T
N
-
I
E
-
N
P
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
K
I
N
I
T
L
Y
E
D
N
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
F
S
N
------
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
D
N
V
-
G
K
K
N
T
G
T
K
I
R
F
W
P
N
-
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
I
-
K
--
K
---
E
-------------
K
L
T
W
H
F
E
T
G
L
K
G
Y
L
D
--
H
K
L
E
-
A
E
-
T
L
P
AE
P
F
I
ID
N
F
S
N
G
D
----
S
Y
L
D
A
V
F
C
W
C
E
D
P
-
S
E
-
S
I
K
N
S
Y
V
N
L
I
P
T
P
Q
D
G
T
H
V
T
G
L
K
N
G
I
Y
D
A
I
K
A
Y
I
E
K
-
N
S
------
N
I
K
--
I
T
A
N
D
S
F
A
Q
L
N
Y
V
I
S
V
K
I
T
N
P
Q
F
A
G
Q
T
K
E
K
L
S
N
K
D
V
T
N
F
V
A
T
A
V
K
D
L
L
T
I
W
L
N
Q
N
P
D
E
A
R
Q
I
V
E
N
I
S
K
V
A
Q
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
78.12
38%
-54
- C2 -
1S16
4
PARE_ECOLI
B:
[4-383]
--
T
Y
N
A
D
A
I
E
V
L
T
G
L
E
P
V
R
R
R
P
G
M
Y
---
T
D
-
T
T
-
R
P
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
R
V
D
V
I
L
H
A
D
Q
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
H
A
G
G
K
F
S
N
K
N
Y
Q
F
S
G
G
L
H
G
V
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
G
-
T
C
G
K
R
N
T
G
T
S
V
H
F
W
P
D
-
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
I
-
N
--
N
---
T
-------------
E
Q
R
W
C
Y
Q
D
G
L
N
D
Y
L
A
--
E
A
V
N
-
G
L
-
P
T
L
--
P
E
K
--
P
F
I
G
N
F
A
G
D
T
E
A
V
D
W
A
L
L
W
L
P
E
G
-
G
E
L
L
T
E
-
S
Y
V
N
L
I
P
T
M
Q
G
G
T
H
V
N
G
L
R
Q
G
L
L
D
A
M
R
E
F
C
E
Y-
R
N
--
I
L
P
R
G
V
K
--
L
S
A
E
D
I
W
D
R
C
A
Y
V
L
S
V
K
M
Q
D
P
Q
F
A
G
Q
T
K
E
R
L
S
S
R
Q
C
A
A
F
V
S
G
V
V
K
D
A
F
I
L
W
L
N
Q
N
V
Q
A
A
E
-
L
L
A
E
M
A
I
S
S
A
Q
R
R
--
M
R
A
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
77.40
39%
-74
- C2 -
4HXZ
1
?
A:
[8-381]
-------
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
---
T
N
-
I
E
-
N
P
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
K
I
N
I
T
L
Y
E
D
N
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
F
S
----------
H
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
D
N
V
-
G
K
K
N
T
G
T
K
I
R
F
W
P
N
-
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
I
-
K
--
K
---
E
-------------
K
L
T
W
H
F
E
T
G
L
K
G
Y
L
D
--
H
K
L
E
-
A
E
-
T
L
P
AE
P
F
I
ID
N
F
S
N
G
D
----
S
Y
L
D
A
V
F
C
W
C
E
D
P
-
S
E
-
S
I
K
N
S
Y
V
N
L
I
P
T
P
Q
D
G
T
H
V
T
G
L
K
N
G
I
Y
D
A
I
K
A
Y
I
E
K
-
N
S
--
L
S
V
K
N
I
K
--
I
T
A
N
D
S
F
A
Q
L
N
Y
V
I
S
V
K
I
T
N
P
Q
F
A
G
Q
T
K
E
K
L
S
N
K
D
V
T
N
F
V
A
T
A
V
K
D
L
L
T
I
W
L
N
Q
N
P
D
E
A
R
Q
I
V
E
N
I
S
K
V
A
Q
K
R
I
N
A
D
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
77.19
38%
-55
- C2 -
1S16
4
PARE_ECOLI
A:
[4-383]
--
T
Y
N
A
D
A
I
E
V
L
T
G
L
E
P
V
R
R
R
P
G
M
Y
---
T
D
-
T
T
-
R
P
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
R
V
D
V
I
L
H
A
D
Q
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
H
A
G
G
K
F
S
N
K
N
Y
Q
F
S
G
G
L
H
G
V
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
G
-
T
C
G
K
R
N
T
G
T
S
V
H
F
W
P
D
-
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
I
-
N
--
N
---
T
-------------
E
Q
R
W
C
Y
Q
D
G
L
N
D
Y
L
A
--
E
A
V
N
-
G
L
-
P
T
L
--
P
E
K
--
P
F
I
G
N
F
A
G
D
T
E
A
V
D
W
A
L
L
W
L
P
E
G
-
G
E
L
L
T
E
-
S
Y
V
N
L
I
P
T
M
Q
G
G
T
H
V
N
G
L
R
Q
G
L
L
D
A
M
R
E
F
C
E
Y
-
R
N
--
I
L
P
R
G
V
K
--
L
S
A
E
D
I
W
D
R
C
A
Y
V
L
S
V
K
M
Q
D
P
Q
F
A
G
Q
T
K
E
R
L
S
S
R
Q
C
A
A
F
V
S
G
V
V
K
D
A
F
I
L
W
L
N
Q
N
V
Q
A
A
E
-
L
L
A
E
M
A
I
S
S
A
Q
R
R
--
M
R
A
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
127
HHSearch
76.82
38%
-59
- C2 -
1S16
4
PARE_ECOLI
A:
[4-383]
--
T
Y
N
A
D
A
I
E
V
L
T
G
L
E
P
V
R
R
R
P
G
M
Y
T
D
T
T
R
-----
P
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
R
V
D
V
I
L
H
A
D
Q
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
H
A
G
G
K
F
S
N
K
N
Y
Q
F
S
G
G
L
H
G
V
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
G
T
C
-
G
K
R
N
T
G
T
S
V
H
F
W
P
D
-
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
I
-
N
--
N
---
T
-------------
E
Q
R
W
C
Y
Q
D
G
L
N
D
Y
L
A
--
E
A
V
N
-
G
L
P
T
L
P
--
E
K
P
--
F
I
G
N
F
A
-
G
D
T
E
A
V
D
W
A
L
L
W
L
P
E
G
G
E
L
-
L
T
E
-
S
Y
V
N
L
I
P
T
M
Q
G
G
T
H
V
N
G
L
R
Q
G
L
L
D
A
M
R
E
F
C
E
--
Y
R
N-
I
L
P
R
G
V
K
--
L
S
A
E
D
I
W
D
R
C
A
Y
V
L
S
V
K
M
Q
D
P
Q
F
A
G
Q
T
K
E
R
L
S
S
R
Q
C
A
A
F
V
S
G
V
V
K
D
A
F
I
L
W
L
N
Q
N
V
Q
A
A
E
-
L
L
A
E
M
A
I
S
S
A
Q
R
R
M
R
A
--
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
76.77
39%
-74
- C2 -
4KQV
7
?
A:
[7-380]
------
K
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
---
T
N
-
I
E
-
N
P
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
K
I
N
I
T
L
Y
E
D
N
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
F
S
N
----------
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
D
N
V
-
G
K
K
N
T
G
T
K
I
R
F
W
P
N
-
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
I
-
K
--
K
---
E
-------------
K
L
T
W
H
F
E
T
G
L
K
G
Y
L
D
--
H
K
-------
L
P
AE
P
F
I
ID
N
F
S
N
G
D
----
S
Y
L
D
A
V
F
C
W
C
-----
E
-
S
I
K
N
S
Y
V
N
L
I
P
T
P
Q
D
G
T
H
V
T
G
L
K
N
G
I
Y
D
A
I
K
A
Y
I
E
K
-
N
S
--
L
S
V
K
N
I
K
--
I
T
A
N
D
S
F
A
Q
L
N
Y
V
I
S
V
K
I
T
N
P
Q
F
A
G
Q
T
K
E
K
L
S
N
K
D
V
T
N
F
V
A
T
A
V
K
D
L
L
T
I
W
L
N
Q
N
P
D
E
A
R
Q
I
V
E
N
I
S
K
V
A
Q
K
R
I
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
62.36
52%
-61
- C2 -
4DUH
1
GYRB_ECOLI
A:
[15-217]
-------------
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
--------
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
---
K
-------------
E
D
H
F
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
62.08
52%
-57
- C2 -
3G7E
1
GYRB_ECOLI
A:
[1-203]
-------------
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
D
D
N
S
Y
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
-----------------
K
E
D
H
F
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
61.62
52%
-67
- C2 -
1AJ6
1
GYRB_ECOLI
A:
[11-216]
----------
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-------
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
H
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
---
K
-------------
E
D
H
F
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
61.35
52%
-63
- C2 -
4DUH
1
GYRB_ECOLI
B:
[12-217]
----------
V
L
K
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
H
P
E
E
G
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
------------
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
---
K
-------------
E
D
H
F
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
60.92
51%
-71
- C2 -
4HYP
2
GYRB_ECOLI
D:
[2-205]
-------------
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-----
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
-----------------
K
E
D
H
F
H
Y
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
60.41
51%
-71
- C2 -
4HYP
2
GYRB_ECOLI
A:
[2-205]
-------------
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-----
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
-----------------
K
E
D
H
F
H
Y
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
60.32
51%
-64
- C2 -
4KFG
3
GYRB_ECOLI
B:
[2-205]
-------------
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
------
G
V
S
A
A
E
V
I
M
T
V
L
-------
D
N
S
Y
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
-----------------
K
E
D
H
F
H
Y
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
60.25
51%
-68
- C2 -
4HYP
2
GYRB_ECOLI
C:
[2-205]
-------------
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-----
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
-----------------
K
E
D
H
F
H
Y
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
103
PsiBlast_CBE
59.95
46%
-64
- C2 -
4URM
1
?
A:
[25-230]
--------------
L
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
L
H
A
G
G
K
-------------
G
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
E
N
V
R
-------------
E
D
S
Y
H
Y
E
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
59.68
51%
-66
- C2 -
4KFG
3
GYRB_ECOLI
A:
[2-206]
-------------
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
-----------
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
-----------------
K
E
D
H
F
H
Y
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
99
PsiBlast_CBE
59.33
46%
-58
- C2 -
4URO
1
GYRB_STAAU
A:
[26-230]
---------------
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
-------------------
G
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
E
N
V
R
-------------
E
D
S
Y
H
Y
E
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
59.28
51%
-66
- C2 -
4HYP
2
GYRB_ECOLI
B:
[2-205]
-------------
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
D
T
D
-
D
G
T
G
L
H
H
M
V
F
E
V
V
D
N
A
I
D
E
A
L
A
G
H
C
K
E
I
I
V
T
I
H
A
D
N
S
V
S
V
Q
D
D
G
R
G
I
P
T
G
I
-----
V
S
A
A
E
V
I
M
T
V
L
H
A
G
G
K
F
-----
K
V
S
G
G
L
H
G
V
G
V
S
V
V
N
A
L
S
Q
K
L
E
L
V
I
Q
R
E
G
K
I
H
R
Q
I
Y
E
H
-
G
V
-
P
Q
A
P
L
A
V
T
G
E
T
---
E
K
T
G
T
M
V
R
F
W
P
S
L
E
T
F
T
-
N
V
-
T
E
F
E
Y
E
I
L
A
K
R
L
R
E
L
S
F
L
N
S
G
V
S
I
R
L
R
D
K
R
-
D
--
G
-----------------
K
E
D
H
F
H
Y
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
59.02
45%
-70
- C2 -
4LPB
1
?
A:
[17-226]
---------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
T
D
-
G
A
-
G
L
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
G
F
G
D
R
I
D
V
T
I
N
K
D
G
S
L
T
V
Q
D
H
G
R
G
M
P
T
G
M
H
A
M
-
G
I
P
T
V
E
V
I
F
T
I
L
H
A
-----------------
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
D
G
A
V
Y
K
Q
R
F
E
N
-
G
G
K
P
V
T
T
L
K
K
I
G
T
A
L
K
S
K
-
T
G
T
K
V
T
F
M
P
D
-
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
R
-
T
--
D
---
E
-------------
A
I
E
F
H
Y
E
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
59.00
39%
-68
- C2 -
4HY1
1
?
B:
[8-271]
-------
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
---
T
N
-
I
E
-
N
P
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
K
I
N
I
T
L
Y
E
D
N
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
F
S
------------
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
D
N
V
-
G
K
K
N
T
G
T
K
I
R
F
W
P
N
-
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
I
-
K
--
K
---
E
-------------
K
L
T
W
H
F
E
T
G
L
K
G
Y
L
D
--
H
K
L
--
A
E
-
T
L
P
AE---------------------------
P
-
S
E
-
S
I
K
N
S
Y
V
N
L
I
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
58.66
45%
-70
- C2 -
4MOT
1
?
A:
[17-226]
---------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
T
D
-
G
A
-
G
L
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
G
F
G
D
R
I
D
V
T
I
N
K
D
G
S
L
T
V
Q
D
H
G
R
G
M
P
T
G
M
H
A
M
-
G
I
P
T
V
E
V
I
F
T
I
L
H
A
-----------------
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
D
G
A
V
Y
K
Q
R
F
E
N
-
G
G
K
P
V
T
T
L
K
K
I
G
T
A
L
K
S
K
-
T
G
T
K
V
T
F
M
P
D
-
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
R
-
T
--
D
---
E
-------------
A
I
E
F
H
Y
E
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
89
PsiBlast_CBE
58.51
47%
-58
- C2 -
4URN
1
?
C:
[19-224]
-------------
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
D
-
K
R
-
G
L
H
H
L
V
Y
E
I
V
D
N
S
V
D
E
V
L
N
G
Y
G
N
E
I
D
V
T
I
N
K
D
G
S
I
S
I
E
D
N
G
R
G
M
P
T
G
I
H
K
S
G
K
-
P
T
V
E
V
I
F
T
V
L
--------------------
G
A
S
V
V
N
A
L
S
E
W
L
E
V
E
I
H
R
D
G
N
I
Y
H
Q
S
F
K
N
G
G
S
-
P
S
S
G
L
V
---
K
K
G
K
T
K
K
T
G
T
K
V
T
F
K
P
D
-
D
T
I
F
-
K
A
S
T
S
F
N
F
D
V
L
S
E
R
L
Q
E
S
A
F
L
L
K
N
L
K
I
T
L
N
D
L
R
-
S
GK
E
---
R
-------------
Q
E
H
Y
H
Y
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
58.46
50%
-74
- C2 -
4BAE
2
GYRB_MYCSM
B:
[4-203]
-------------
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
F
A
T
R
V
D
V
K
I
H
A
D
G
S
V
E
V
R
D
D
G
R
G
I
P
V
E
M
H
A
T
-
G
M
P
T
I
D
V
V
M
T
Q
L
------------------
G
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
T
V
L
R
D
G
Y
E
W
F
Q
Y
Y
D
R
-
S
V
-
P
-
G
K
L
K
Q
G
G
E
T
---
K
E
T
G
T
T
I
R
F
W
A
D
-
P
E
I
F
-
E
T
-
T
D
Y
N
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
E
L
T
D
E
R
-
D
--
G
---
K
-------------
H
R
V
F
H
Y
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
97
PsiBlast_CBE
58.39
46%
-59
- C2 -
4URO
1
GYRB_STAAU
C:
[25-230]
--------------
L
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
---------------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
E
N
V
R
-------------
E
D
S
Y
H
Y
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
91
PsiBlast_CBE
58.17
47%
-65
- C2 -
4URN
1
?
A:
[17-223]
-----------
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
D
-
K
R
-
G
L
H
H
L
V
Y
E
I
V
D
N
S
V
D
E
V
L
N
G
Y
G
N
E
I
D
V
T
I
N
K
D
G
S
I
S
I
E
D
N
G
R
G
M
P
T
G
I
H
K
S
G
K
-
P
T
V
E
V
I
F
T
V
L
-------------------
V
G
A
S
V
V
N
A
L
S
E
W
L
E
V
E
I
H
R
D
G
N
I
Y
H
Q
S
F
K
N
G
G
S
-
P
S
S
G
L
V
---
K
K
G
K
T
K
K
T
G
T
K
V
T
F
K
P
D
-
D
T
I
F
-
K
A
S
T
S
F
N
F
D
V
L
S
E
R
L
Q
E
S
A
F
L
L
K
N
L
K
I
T
L
N
D
L
R
-
S
GK
E
---
R
-------------
Q
E
H
Y
H
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
PsiBlast_CBE
58.16
45%
-72
- C2 -
5BOD
1
?
A:
[17-226]
---------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
T
D
-
G
A
-
G
L
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
G
F
G
D
R
I
D
V
T
I
N
K
D
G
S
L
T
V
Q
D
H
G
R
G
M
P
T
G
M
H
A
M
-
G
I
P
T
V
E
V
I
F
T
I
L
H
A
G
------------------
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
D
G
A
V
Y
K
Q
R
F
E
N
-
G
G
K
P
V
T
T
L
K
K
I
G
T
A
L
K
S
K
-
T
G
T
K
V
T
F
M
P
D
-
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
R
-
T
--
D
---
E
-------------
A
I
E
F
H
Y
E
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
102
PsiBlast_CBE
58.15
46%
-66
- C2 -
4URM
1
?
B:
[25-230]
--------------
L
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
L
H
A
G
G
K
F
G
------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
E
N
V
R
-------------
E
D
S
Y
H
Y
E
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
100
PsiBlast_CBE
58.12
46%
-61
- C2 -
4URM
1
?
D:
[26-230]
---------------
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
L
H
A
G
----------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
ENV
R
-------------
E
D
S
Y
H
Y
E
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
58.00
45%
-70
- C2 -
4MB9
2
?
A:
[17-226]
---------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
T
D
-
G
A
-
G
L
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
G
F
G
D
R
I
D
V
T
I
N
K
D
G
S
L
T
V
Q
D
H
G
R
G
M
P
T
G
M
H
A
M
-
G
I
P
T
V
E
V
I
F
T
I
L
H
A
G
------------
G
L
H
G
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
D
G
A
V
Y
K
Q
R
F
E
N
-
G
G
K
P
V
T
T
L
K
K
I
G
T
A
L
K
S
K
-
T
G
T
K
V
T
F
M
P
D
-
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
R
-
T
--
D
---
E
-------------
A
I
E
F
H
Y
E
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
98
PsiBlast_CBE
57.96
46%
-55
- C2 -
4URO
1
GYRB_STAAU
B:
[26-230]
---------------
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
--------------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
E
N
V
R
-------------
E
D
S
Y
H
Y
E
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
57.86
45%
-70
- C2 -
4EM7
1
?
A:
[17-226]
---------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
T
D
-
G
A
-
G
L
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
G
F
G
D
R
I
D
V
T
I
N
K
D
G
S
L
T
V
Q
D
H
G
R
G
M
P
T
G
M
H
A
M
-
G
I
P
T
V
E
V
I
F
T
I
L
H
A
-----------------
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
D
G
A
V
Y
K
Q
R
F
E
N
-
G
G
K
P
V
T
T
L
K
K
I
G
T
A
L
K
S
K
-
T
G
T
K
V
T
F
M
P
D
-
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
R
-
T
--
D
---
E
-------------
A
I
E
F
H
Y
E
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
57.71
45%
-69
- C2 -
4MBC
1
?
A:
[17-226]
---------
Q
V
L
E
G
L
D
A
V
R
K
R
P
G
M
Y
I
G
S
T
D
-
G
A
-
G
L
H
H
L
V
W
E
I
V
D
N
A
V
D
E
A
L
S
G
F
G
D
R
I
D
V
T
I
N
K
D
G
S
L
T
V
Q
D
H
G
R
G
M
P
T
G
M
H
A
M
-
G
I
P
T
V
E
V
I
F
T
I
L
H
A
-----------------
V
G
S
S
V
V
N
A
L
S
S
W
L
E
V
E
I
T
R
D
G
A
V
Y
K
Q
R
F
E
N
-
G
G
K
P
V
T
T
L
K
K
I
G
T
A
L
K
S
K
-
T
G
T
K
V
T
F
M
P
D
-
A
T
I
F
-
S
T
-
T
D
F
K
Y
N
T
I
S
E
R
L
N
E
S
A
F
L
L
K
N
V
T
L
S
L
T
D
K
R
-
T
--
D
---
E
-------------
A
I
E
F
H
Y
E
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
101
PsiBlast_CBE
57.67
46%
-66
- C2 -
4URM
2
?
C:
[25-230]
--------------
L
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
V
L
H
A
G
----------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
E
N
V
R
-------------
E
D
S
Y
H
Y
E
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
96
PsiBlast_CBE
57.50
46%
-63
- C2 -
4URO
2
GYRB_STAAU
D:
[25-230]
--------------
L
E
A
A
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
------
P
A
V
E
V
I
L
T
V
--------------------
V
G
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
E
N
V
R
-------------
E
D
S
Y
H
Y
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
93
PsiBlast_CBE
56.21
44%
-51
- C2 -
4HZ0
2
PARE_ECOLI
A:
[3-205]
------------
T
G
L
E
P
V
R
R
R
P
G
M
Y
---
T
D
-
T
T
-
R
P
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
R
V
D
V
I
L
H
A
D
Q
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
H
A
G
G
K
F
S
N
K
N
Y
Q
F
S
G
G
L
--
V
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
G
-
T
C
G
K
R
N
T
G
T
S
V
H
F
W
P
D
-
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
I
-
N
--
N
---
T
-------------
E
Q
R
W
C
Y
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
92
PsiBlast_CBE
55.90
44%
-52
- C2 -
4HZ0
2
PARE_ECOLI
B:
[3-205]
------------
T
G
L
E
P
V
R
R
R
P
G
M
Y
---
T
D
-
T
T
-
R
P
N
H
L
G
Q
E
V
I
D
N
S
V
D
E
A
L
A
G
H
A
K
R
V
D
V
I
L
H
A
D
Q
S
L
E
V
I
D
D
G
R
G
M
P
V
D
I
H
P
E
E
G
V
P
A
V
E
L
I
L
C
R
L
H
A
G
G
K
F
S
N
K
N
Y
Q
F
S
G
G
L
--
V
G
I
S
V
V
N
A
L
S
K
R
V
E
V
N
V
R
R
D
G
Q
V
Y
N
I
A
F
E
N
-
G
E
-
K
V
Q
D
L
Q
V
V
G
-
T
C
G
K
R
N
T
G
T
S
V
H
F
W
P
D
-
E
T
F
F
-
D
S
-
P
R
F
S
V
S
R
L
T
H
V
L
K
A
K
A
V
L
C
P
G
V
E
I
T
F
K
D
E
I
-
N
--
N
---
T
-------------
E
Q
R
W
C
Y
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
55.62
39%
-67
- C2 -
4KQV
2
?
B:
[8-217]
-------
S
I
E
V
L
T
G
L
D
P
V
K
K
R
P
G
M
Y
---
T
N
-
I
E
-
N
P
N
H
L
I
Q
E
I
I
D
N
S
V
D
E
V
L
A
G
F
A
S
K
I
N
I
T
L
Y
E
D
N
S
I
E
V
A
D
D
G
R
G
M
P
V
D
I
H
P
E
H
K
M
S
G
I
E
L
I
M
T
K
L
H
S
G
G
K
--------------
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
E
I
K
R
D
G
N
V
Y
H
I
V
F
E
D
-
G
F
-
K
T
K
D
L
E
I
I
D
N
V
-
G
K
K
N
T
G
T
K
I
R
F
W
P
N
-
K
K
Y
F
-
D
D
-
I
K
V
N
F
K
A
L
K
N
L
L
E
A
K
A
I
L
C
K
A
L
T
I
K
Y
S
N
E
I
-
K
--
K
---
E
-------------
K
L
T
W
H
F
E
T
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
90
PsiBlast_CBE
54.67
47%
-49
- C2 -
4URN
2
?
B:
[32-223]
--------------------------
G
S
T
D
-
K
R
-
G
L
H
H
L
V
Y
E
I
V
D
N
S
V
D
E
V
L
N
G
Y
G
N
E
I
D
V
T
I
N
K
D
G
S
I
S
I
E
D
N
G
R
G
M
P
T
G
I
H
K
S
G
K
-
P
T
V
E
V
I
F
T
V
L
------------------
G
V
G
A
S
V
V
N
A
L
S
E
W
L
E
V
E
I
H
R
D
G
N
I
Y
H
Q
S
F
K
N
G
G
S
-
P
S
S
G
L
V
---
K
K
G
K
T
K
K
T
G
T
K
V
T
F
K
P
D
-
D
T
I
F
-
K
A
S
T
S
F
N
F
D
V
L
S
E
R
L
Q
E
S
A
F
L
L
K
N
L
K
I
T
L
N
D
L
R
-
S
GK
E
---
R
-------------
Q
E
H
Y
H
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
110
PsiBlast_CBE
54.55
38%
-51
- C2 -
3U2K
4
GYRB_STAAU
A:
[2-195]
---
Y
G
A
G
Q
I
Q
V
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
K
M
G
R
P
A
V
E
V
I
L
T
-----------------------
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
E
N
V
R
-------------
E
D
S
Y
H
Y
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
111
PsiBlast_CBE
53.83
38%
-57
- C2 -
3U2D
4
GYRB_STAAU
B:
[8-195]
---------
Q
V
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
E
--
G
R
P
A
V
E
V
I
L
T
-----------------------
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
E
N
V
R
-------------
E
D
S
Y
H
Y
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
109
PsiBlast_CBE
52.97
38%
-57
- C2 -
3U2K
3
GYRB_STAAU
B:
[8-195]
---------
Q
V
L
E
G
L
E
A
V
R
K
R
P
G
M
Y
I
G
S
T
S
-
E
R
-
G
L
H
H
L
V
W
E
I
V
D
N
S
I
D
E
A
L
A
G
Y
A
N
Q
I
E
V
V
I
E
K
D
N
W
I
K
V
T
D
N
G
R
G
I
P
V
D
I
Q
---
G
R
P
A
V
E
V
I
L
T
-----------------------
S
S
V
V
N
A
L
S
Q
D
L
E
V
Y
V
H
R
N
E
T
I
Y
H
Q
A
Y
K
K
-
G
V
-
P
Q
F
D
L
K
E
V
G
T
T
---
D
K
T
G
T
V
I
R
F
K
A
D
G
E
I
F
T
-
E
T
-
T
V
Y
N
Y
E
T
L
Q
Q
R
I
R
E
L
A
F
L
N
K
G
I
Q
I
T
L
R
D
E
R
-
D
--
E
E
N
V
R
-------------
E
D
S
Y
H
Y
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
108
PsiBlast_CBE
51.14
41%
-59
- C2 -
4B6C
3
GYRB_MYCSM
B:
[30-194]
----------------------------
T
G
-
E
R
-
G
L
H
H
L
I
W
E
V
V
D
N
A
V
D
E
A
M
A
G
F
A
T
R
V
D
V
K
I
H
A
D
G
S
V
E
V
R
D
D
G
R
G
I
P
V
E
M
H
A
T
-
G
M
P
T
I
D
V
V
M
T
--------------------
Q
V
G
V
S
V
V
N
A
L
S
T
R
L
E
A
T
V
L
R
D
G
Y
E
W
F
Q
Y
Y
D
R
-
S
V
-
P
-
G
K
L
K
Q
G
G
E
T
---
K
E
T
G
T
T
I
R
F
W
A
D
-
P
E
I
F
-
E
T
-
T
D
Y
N
F
E
T
V
A
R
R
L
Q
E
M
A
F
L
N
K
G
L
T
I
E
L
T
D
E
R
-
D
--
G
---
K
-------------
H
R
V
F
H
Y
P
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------