@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 : Rv0973c: (2016-04-27 )
MGITRVLVANRGEIARRVFATCRRLGLGTVAVYTDPDAAAPHVAEADARVRLPQTTDYLNAEAIIAAAQAAGADAVHPGYGFLSENAEFAAAVQEAGLTWVGPPVDAVRAMGSKIESKKLMAAAGVPVLEELDPDAVTTAQLPVLVKASAGGGGRGMRVVHELSALPAEVEAARREAQSAFGDPTVFCERYLPTGHHVEVQVMADTHGTVWAVGERECSIQRRHQKIIEEAPSPLVERVPGMRAKLFDAARLAASAIGYTGAGTVEFLADDSPGREGEFYFLEMNTRLQVEHPVTEETTGLDLVELQLMIADCGRLDTEPPPAQGYSIEARLYAEDPAHGWQPQAGVMHTIEVPGVRAQFDSLGQRTGIRLDSGIVDGSTVSIHYDPMLAKVVSYGATRRQAALVLADALVRARLHGLRTNRELLVNVLRHPAFLDGATDTGFFDTHGMAELSTPLADTATLRLSAIAAALADAEHNRASAGVFSSIPSGWRNLASGYQVKTYRDDADTEHRVEYRFTRTGLALPGDPVVQLVSADVDQVVLAQDGVAHGFTVARHGPDVYVDSARGPVHLVALSRFPEPSSAVEQGSLVAPMPGNVIRIGAEVGDTVTAGQPLIWLEAMKMEHTIAAPADGVLTHVSVNTGQQVEVGAILARVEAPQNGPAEGDSP
Atome Classification :
(61 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.....-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-MG
I
T
R
V
L
VA
N
R
G
E
I
A
R
R
V
F
A
T
C
R
RLGL
G
T
V
A
V
Y
TDPDAAAPHVAEAD
A
R
V
RL---PQ----TT---D----YL
N
A
E
A
I
I
A
A
A
Q
AAGADAVHPGYGFLSEN
A
E
F
A
A
A
V
Q
EAG
L
T
WVGP
P
V
D
A
V
R
A
M
G
S
K
I
E
S
K
K
L
MAAAGV
P
-------
V
-------
L
--------
E
EL--D------P--D---A-------VTTAQ---
L
------
P
V
L
V
K
ASAGGGGR
G
M
R
V
V
H
E
L
S
AL
P
A
E
V
E
A
A
R
R
E
A
Q
S
AFG
D
P
T
V
F
C
E
RYLPTG
H
H
V
E
V
Q
V
M
ADTHG
T
V
W
A
VGER
E
C
S
I
Q
R
R
H
Q
K
I
I
E
EAPS
P
-
L
V
E
RVPG
M
R
A
K
L
F
D
A
A
R
L
A
A
S
AIGYTGA
G
T
V
E
F
L
ADDSPGREG
E
F
Y
F
L
EMN
T
R
L
Q
V
EHPVTEETTGL
D
L
V
E
L
Q
L
M
I
A
--
D
CG---R---LDT--------EP--------P-PAQ--
G
Y
S
I
E
A
R
L
Y
AEDPAHGWQPQA
G
V
M
H
T
I
EVPG
V
R
A
Q
F
D
S
LGQRTG
I
R
LDSG-I-VDG
S
T
V
S
I
HY
D
P
M
L
A
K
V
V
S
YGAT
R
R
Q
A
A
L
V
L
A
D
A
L
V
R
A
R
L
HGLRT
N
R
E
L
L
V
N
V
LRHPAFLDGATDTGFF------DT---H-
G
M
A
E
LSTPL-AD-------------
T
A
T
L
R
L
S
A
I
A
A
A
L
A
----D---AE--HNRASAG--------
V
F
S
--SI
P
S
G
W
-
R
N
LASG
Y
Q
V
K
T
YRDDADTE
H
R
V
E
Y
R
F
T-RTGLAL---PG
D
P
--
V
V
Q
L
V
SADV
D
Q
V
V
L
AQDGVAH
G
F
T
V
ARHGP
D
V
Y
V
DSAR-G
P
V
H
L
V
A
L-S--RF-----PEP
S
S
A
VEQG
S
--
L
VAPMPG
N
V
I
R
I
GAEVGDTVTAGQ
P
L
I
W
L
E
A
MKMEHTIAAPAD
G
V
L
T
H
V
SVNTG
Q
Q
V
E
V
G
A
I
L
A
R
VEAPQNGPAEGDSP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
88.91
42%
-87
- C2 -
3U9S
1
?
A:
[28-671]
---
I
Q
R
L
L
V
A
N
R
G
E
I
A
C
R
V
M
R
S
A
R
A
L
G
I
G
S
V
A
V
H
S
D
I
D
R
H
A
R
H
V
A
E
A
D
I
A
V
D
L
G
GA
K
P
----
A
D
---
S
----
Y
L
R
G
D
R
I
I
A
A
A
L
A
S
G
A
Q
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
R
A
C
E
E
A
G
L
L
F
L
G
P
P
A
A
A
I
D
A
M
G
S
K
S
A
A
K
A
L
M
E
E
A
G
V
P
-------
L
-------
V
P
G
Y
H
GEA-
Q
D
L
--
E
------
T
--
F
---
R
-------
R
E
A
G
R
---
I
GY----
P
V
L
L
K
A
A
A
------
M
K
V
V
E
R
E
A
E
L
A
E
A
L
S
S
A
Q
R
--------
A
R
M
L
V
E
K
Y
L
L
K
P
R
H
V
E
I
Q
V
F
A
D
R
H
G
H
C
L
Y
L
N
E
R
D
C
S
I
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
L
G
--
A
E
L
R
R
A
M
G
E
A
A
V
R
A
A
Q
A
I
G
Y
V
G
A
G
T
V
E
F
L
L
D
E
----
R
G
Q
F
F
F
M
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
A
I
T
G
L
D
L
V
A
W
Q
I
R
V
A
R
G
E
A
L
---
P
---
L
T
Q
--------
E
Q
--------
V
-
P
L
N
--
G
H
A
I
E
V
R
L
Y
A
E
D
P
E
G
D
F
L
P
A
S
G
R
L
M
L
---------
Y
R
E
A
A
A
G
P
G
R
R
V
D
S
G
-
V
-
R
E
G
D
E
V
S
P
F
Y
D
P
M
L
A
K
L
I
A
W
G
E
T
R
E
E
A
R
Q
R
L
L
A
M
L
A
E
T
S
V
G
G
L
R
T
N
L
A
F
L
R
R
I
L
G
H
P
A
F
A
A
A
E
L
D
T
G
F
I
------
A
R
---
H
-
Q
D
D
L
L
P
A
P
Q
-
A
L
-------------
P
E
H
F
W
Q
A
A
A
E
A
W
L
Q
----
S
---
E
P
--
G
H
R
R
D
D
D
--------
P
H
S
PW
S
R
N
D
G
W
-
R
S
------
A
L
A
R
E
S
D
L
M
L
R
C
R
D
E
R
R
C
V
-
R
L
R
H
A
S
---
P
S
Q
-------
Y
R
L
D
G
D
D
L
V
S
R
V
D
G
V
T
R
R
S
A
A
L
R
R
G
R
Q
L
F
L
E
W
E
G
-
E
L
L
A
I
E
A
V
-
D
------------------
G
G
--
L
S
A
P
M
N
G
S
I
V
R
V
L
V
E
P
G
Q
T
V
E
A
G
A
T
L
V
V
L
E
A
M
K
M
E
H
S
I
R
A
P
H
A
G
V
V
K
A
L
Y
C
S
E
G
E
L
V
E
E
G
T
P
L
V
E
L
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
86.99
35%
-85
- C2 -
3N6R
1
?
K:
[2-681]
---
F
N
K
I
L
I
A
N
R
G
E
I
A
C
R
V
I
K
T
A
R
K
M
G
I
S
T
V
A
I
Y
S
D
A
D
K
Q
A
L
H
V
Q
M
A
D
E
A
V
H
I
GPP
P
A
----
N
Q
---
S
----
Y
I
V
I
D
K
V
M
A
A
I
R
A
T
G
A
Q
A
V
H
P
G
Y
G
F
L
S
E
N
S
K
F
A
E
A
L
E
A
E
G
V
I
F
V
G
P
P
K
G
A
I
E
A
M
G
D
K
I
T
S
K
K
I
A
Q
E
A
N
V
S
TVPGYMG
L
-------
I
--------
E
D
A
--
D
------
E
--
A
---
V
-------
K
I
S
N
Q
---
I
GY----
P
V
M
I
K
A
S
A
------
M
R
I
A
W
N
D
Q
E
A
R
E
G
F
Q
S
S
K
N
--------
D
R
I
F
I
E
K
F
V
T
Q
P
R
H
I
E
I
Q
V
L
C
D
S
H
G
N
G
I
Y
L
G
E
R
E
C
S
I
Q
R
R
N
Q
K
V
V
E
E
A
P
S
P
-
F
L
D
E
--
A
T
R
R
A
M
G
E
Q
A
V
A
L
A
K
A
V
G
Y
A
S
A
G
T
V
E
F
I
V
D
G
----
Q
K
N
F
Y
F
L
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
L
I
T
G
V
D
L
V
E
Q
M
I
R
V
A
--
A
G
E
---
P
---
L
S
I
--------
T
Q
--------
G
-
D
V
K
LT
G
W
A
I
E
N
R
L
Y
A
E
D
P
Y
R
G
F
L
P
S
I
G
R
L
T
R
Y
R
P
P
A
E
----------
A
A
V
R
N
D
T
G
-
V
-
Y
E
G
G
E
I
S
M
Y
Y
D
P
M
I
A
K
L
C
T
W
A
P
T
R
A
A
A
I
E
A
M
R
I
A
L
D
S
F
E
V
E
G
I
G
H
N
L
P
F
L
S
A
V
M
D
H
P
K
F
I
S
G
D
M
T
T
A
F
I
------
A
E
EYP
E
-
G
F
E
G
V
N
L
P
E
-
T
D
LRRVAAAAAAMHR
V
A
E
I
R
R
T
R
V
S
G
R
M
D
----
N
---
H
E
--
R
R
V
G
T
E
W
--------
V
V
T
--
L
Q
G
A
D
F
P
V
T
I
A
A
D
H
D
G
S
T
V
S
F
D
D
G
S
S
M
R
V
T
S
D
W
T
----------
P
G
D
Q
--
L
A
N
L
M
-
V
D
G
A
P
L
V
L
K
V
G
K
I
S
G
G
F
R
I
R
T
R
G
A
D
L
K
V
-
H
V
R
-
T
P
R
Q
A
E
L
A
-
R
--
L
M
-----
P
E
K
L
P
P
D
T
S
K
M
--
L
L
C
P
M
P
G
L
I
V
K
V
D
V
E
V
G
Q
E
V
Q
E
G
Q
A
L
C
T
I
E
A
M
K
M
E
N
I
L
R
A
E
K
K
G
V
V
A
K
I
N
A
S
A
G
N
S
L
A
V
D
D
V
I
M
E
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
86.75
35%
-85
- C2 -
3N6R
1
?
G:
[2-681]
---
F
N
K
I
L
I
A
N
R
G
E
I
A
C
R
V
I
K
T
A
R
K
M
G
I
S
T
V
A
I
Y
S
D
A
D
K
Q
A
L
H
V
Q
M
A
D
E
A
V
H
I
GPP
P
A
----
N
Q
---
S
----
Y
I
V
I
D
K
V
M
A
A
I
R
A
T
G
A
Q
A
V
H
P
G
Y
G
F
L
S
E
N
S
K
F
A
E
A
L
E
A
E
G
V
I
F
V
G
P
P
K
G
A
I
E
A
M
G
D
K
I
T
S
K
K
I
A
Q
E
A
N
V
S
TVPGYMG
L
-------
I
--------
E
D
A
--
D
------
E
--
A
---
V
-------
K
I
S
N
Q
---
I
GY----
P
V
M
I
K
A
S
A
------
M
R
I
A
W
N
D
Q
E
A
R
E
G
F
Q
S
S
K
N
--------
D
R
I
F
I
E
K
F
V
T
Q
P
R
H
I
E
I
Q
V
L
C
D
S
H
G
N
G
I
Y
L
G
E
R
E
C
S
I
Q
R
R
N
Q
K
V
V
E
E
A
P
S
P
-
F
L
D
E
--
A
T
R
R
A
M
G
E
Q
A
V
A
L
A
K
A
V
G
Y
A
S
A
G
T
V
E
F
I
V
D
G
----
Q
K
N
F
Y
F
L
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
L
I
T
G
V
D
L
V
E
Q
M
I
R
V
A
--
A
G
E
---
P
---
L
S
I
--------
T
Q
--------
G
-
D
V
K
LT
G
W
A
I
E
N
R
L
Y
A
E
D
P
Y
R
G
F
L
P
S
I
G
R
L
T
R
Y
R
P
P
A
E
----------
A
A
V
R
N
D
T
G
-
V
-
Y
E
G
G
E
I
S
M
Y
Y
D
P
M
I
A
K
L
C
T
W
A
P
T
R
A
A
A
I
E
A
M
R
I
A
L
D
S
F
E
V
E
G
I
G
H
N
L
P
F
L
S
A
V
M
D
H
P
K
F
I
S
G
D
M
T
T
A
F
I
------
A
E
EYP
E
-
G
F
E
G
V
N
L
P
E
-
T
D
LRRVAAAAAAMHR
V
A
E
I
R
R
T
R
V
S
G
R
M
D
----
N
---
H
E
--
R
R
V
G
T
E
W
--------
V
V
T
--
L
Q
G
A
D
F
P
V
T
I
A
A
D
H
D
G
S
T
V
S
F
D
D
G
S
S
M
R
V
T
S
D
W
T
----------
P
G
D
Q
--
L
A
N
L
M
-
V
D
G
A
P
L
V
L
K
V
G
K
I
S
G
G
F
R
I
R
T
R
G
A
D
L
K
V
-
H
V
R
-
T
P
R
Q
A
E
L
A
-
R
--
L
M
-----
P
E
K
L
P
P
D
T
S
K
M
--
L
L
C
P
M
P
G
L
I
V
K
V
D
V
E
V
G
Q
E
V
Q
E
G
Q
A
L
C
T
I
E
A
M
K
M
E
N
I
L
R
A
E
K
K
G
V
V
A
K
I
N
A
S
A
G
N
S
L
A
V
D
D
V
I
M
E
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
86.63
35%
-84
- C2 -
3N6R
1
?
I:
[2-681]
---
F
N
K
I
L
I
A
N
R
G
E
I
A
C
R
V
I
K
T
A
R
K
M
G
I
S
T
V
A
I
Y
S
D
A
D
K
Q
A
L
H
V
Q
M
A
D
E
A
V
H
I
GPP
P
A
----
N
Q
---
S
----
Y
I
V
I
D
K
V
M
A
A
I
R
A
T
G
A
Q
A
V
H
P
G
Y
G
F
L
S
E
N
S
K
F
A
E
A
L
E
A
E
G
V
I
F
V
G
P
P
K
G
A
I
E
A
M
G
D
K
I
T
S
K
K
I
A
Q
E
A
N
V
S
TVPGYMG
L
-------
I
--------
E
D
A
--
D
------
E
--
A
---
V
-------
K
I
S
N
Q
---
I
GY----
P
V
M
I
K
A
S
A
------
M
R
I
A
W
N
D
Q
E
A
R
E
G
F
Q
S
S
K
N
--------
D
R
I
F
I
E
K
F
V
T
Q
P
R
H
I
E
I
Q
V
L
C
D
S
H
G
N
G
I
Y
L
G
E
R
E
C
S
I
Q
R
R
N
Q
K
V
V
E
E
A
P
S
P
-
F
L
D
E
--
A
T
R
R
A
M
G
E
Q
A
V
A
L
A
K
A
V
G
Y
A
S
A
G
T
V
E
F
I
V
D
G
----
Q
K
N
F
Y
F
L
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
L
I
T
G
V
D
L
V
E
Q
M
I
R
V
A
--
A
G
E
---
P
---
L
S
I
--------
T
Q
--------
G
-
D
V
K
LT
G
W
A
I
E
N
R
L
Y
A
E
D
P
Y
R
G
F
L
P
S
I
G
R
L
T
R
Y
R
P
P
A
E
----------
A
A
V
R
N
D
T
G
-
V
-
Y
E
G
G
E
I
S
M
Y
Y
D
P
M
I
A
K
L
C
T
W
A
P
T
R
A
A
A
I
E
A
M
R
I
A
L
D
S
F
E
V
E
G
I
G
H
N
L
P
F
L
S
A
V
M
D
H
P
K
F
I
S
G
D
M
T
T
A
F
I
------
A
E
EYP
E
-
G
F
E
G
V
N
L
P
E
-
T
D
LRRVAAAAAAMHR
V
A
E
I
R
R
T
R
V
S
G
R
M
D
----
N
---
H
E
--
R
R
V
G
T
E
W
--------
V
V
T
--
L
Q
G
A
D
F
P
V
T
I
A
A
D
H
D
G
S
T
V
S
F
D
D
G
S
S
M
R
V
T
S
D
W
T
----------
P
G
D
Q
--
L
A
N
L
M
-
V
D
G
A
P
L
V
L
K
V
G
K
I
S
G
G
F
R
I
R
T
R
G
A
D
L
K
V
-
H
V
R
-
T
P
R
Q
A
E
L
A
-
R
--
L
M
-----
P
E
K
L
P
P
D
T
S
K
M
--
L
L
C
P
M
P
G
L
I
V
K
V
D
V
E
V
G
Q
E
V
Q
E
G
Q
A
L
C
T
I
E
A
M
K
M
E
N
I
L
R
A
E
K
K
G
V
V
A
K
I
N
A
S
A
G
N
S
L
A
V
D
D
V
I
M
E
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
84.69
35%
-82
- C2 -
3N6R
1
?
C:
[2-681]
---
F
N
K
I
L
I
A
N
R
G
E
I
A
C
R
V
I
K
T
A
R
K
M
G
I
S
T
V
A
I
Y
S
D
A
D
K
Q
A
L
H
V
Q
M
A
D
E
A
V
H
I
GPP
P
A
----
N
Q
---
S
----
Y
I
V
I
D
K
V
M
A
A
I
R
A
T
G
A
Q
A
V
H
P
G
Y
G
F
L
S
E
N
S
K
F
A
E
A
L
E
A
E
G
V
I
F
V
G
P
P
K
G
A
I
E
A
M
G
D
K
I
T
S
K
K
I
A
Q
E
A
N
V
S
TV
P
G
---------------------------------------------------------------------------------------------------------------
V
T
Q
P
R
H
I
E
I
Q
V
L
C
D
S
H
G
N
G
I
Y
L
G
E
R
E
C
S
I
Q
R
R
N
Q
K
V
V
E
E
A
P
S
P
-
F
L
D
E
--
A
T
R
R
A
M
G
E
Q
A
V
A
L
A
K
A
V
G
Y
A
S
A
G
T
V
E
F
I
V
D
G
----
Q
K
N
F
Y
F
L
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
L
I
T
G
V
D
L
V
E
Q
M
I
R
V
A
--
A
G
E
---
P
---
L
S
I
--------
T
Q
--------
G
-
D
V
K
L
T
G
W
A
I
E
N
R
L
Y
A
E
D
P
Y
R
G
F
L
P
S
I
G
R
L
T
R
Y
R
P
P
A
E
----------
A
A
V
R
N
D
T
G
-
V
-
Y
E
G
G
E
I
S
M
Y
Y
D
P
M
I
A
K
L
C
T
W
A
P
T
R
A
A
A
I
E
A
M
R
I
A
L
D
S
F
E
V
E
G
I
G
H
N
L
P
F
L
S
A
V
M
D
H
P
K
F
I
S
G
D
M
T
T
A
F
I
------
A
E
E
Y
P
E
-
G
F
E
G
V
N
L
P
E
-
T
D
L
R
R
V
A
A
A
A
A
A
MHR
V
A
E
I
R
R
T
R
V
S
G
R
M
D
----
N
---
H
E
--
R
R
V
G
T
E
W
--------
V
V
T
--
L
Q
G
A
D
F
P
V
T
I
A
A
D
H
D
G
S
T
V
S
F
D
D
G
S
S
M
R
V
T
S
D
W
T
----------
P
G
D
Q
--
L
A
N
L
M
-
V
D
G
A
P
L
V
L
K
V
G
K
I
S
G
G
F
R
I
R
T
R
G
A
D
L
K
V
-
H
V
R
-
T
P
R
Q
A
E
L
A
-
R
--
L
M
-----
P
E
K
L
P
P
D
T
S
K
M
--
L
L
C
P
M
P
G
L
I
V
K
V
D
V
E
V
G
Q
E
V
Q
E
G
Q
A
L
C
T
I
E
A
M
K
M
E
N
I
L
R
A
E
K
K
G
V
V
A
K
I
N
A
S
A
G
N
S
L
A
V
D
D
V
I
M
E
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
115
HHSearch
84.63
44%
-83
- C2 -
3U9T
-
?
A:
[47-639]
-
R
S
I
Q
R
L
L
V
A
N
R
G
E
I
A
C
R
V
M
R
S
A
R
A
L
G
I
G
S
V
A
V
H
S
D
I
D
R
H
A
R
H
V
A
E
A
D
I
A
V
D
L
---
G
G
AKP-
A
D
---
S
----
Y
L
R
G
D
R
I
I
A
A
A
L
A
S
G
A
Q
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
R
A
C
E
E
A
G
L
L
F
L
G
P
P
A
A
A
I
D
A
M
G
S
K
S
A
A
K
A
L
M
E
E
A
G
V
P
-------
L
-------
V
--------
P
G
Y
--
H
------
G
E
A
Q
---
D
LE
T
F
R
R
E
A
G
R
I
G
---
Y
------
P
V
L
L
K
A
A
A
------
M
K
V
V
E
R
E
A
E
L
A
E
A
L
S
S
A
Q
R
--------
A
R
M
L
V
E
K
Y
L
L
K
P
R
H
V
E
I
Q
V
F
A
D
R
H
G
H
C
L
Y
L
N
E
R
D
C
S
I
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
L
G
--
A
E
L
R
R
A
M
G
E
A
A
V
R
A
A
Q
A
I
G
Y
V
G
A
G
T
V
E
F
L
L
D
E
R
----
G
Q
F
F
F
M
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
A
I
T
G
L
D
L
V
A
W
Q
I
R
V
A
--
R
G
E
---
A
---
L
P
L
--------
T
Q
EQ------
V
-
P
L
N
--
G
H
A
I
E
V
R
L
Y
A
E
D
P
E
G
D
F
L
P
A
S
G
R
L
M
L
Y
R
E
A
A
A
---------
G
P
G
R
R
V
D
S
G
-
V
-
R
E
G
D
E
V
S
P
F
Y
D
P
M
L
A
K
L
I
A
W
G
E
T
R
E
E
A
R
Q
R
L
L
A
M
L
A
E
T
S
V
G
G
L
R
T
N
L
A
F
L
R
R
I
L
G
H
P
A
F
A
A
A
E
L
D
T
G
F
I
------
A
R
---
H
-
Q
D
-
D
L
L
P
A
P
Q
A
L
-------------
P
---
E
H
F
W
-
Q
A
A
A
E
A
W
L
Q
S
E
PG
H
R
--
R
D
D
D
P
H
S
--------
P
W
S
--
R
-
N
D
G
W
-
R
S
A
L
A
R
E
S
D
L
M
L
R
C
R
D
E
R
-
R
C
V
R
L
R
H
A
S
P
S
Q
Y
R
L
----------------
D
G
D
D
L
V
S
R
V
D
G
V
T
R
R
S
A
A
L
R
R
G
R
Q
L
F
L
E
W
E
G
-
E
L
L
A
I
E
A
V
D
P
--
I
A
-----
E
A
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
116
HHSearch
84.52
36%
-85
- C2 -
3N6R
1
?
A:
[2-681]
---
F
N
K
I
L
I
A
N
R
G
E
I
A
C
R
V
I
K
T
A
R
K
M
G
I
S
T
V
A
I
Y
S
D
A
D
K
Q
A
L
H
V
Q
M
A
D
E
A
V
H
I
---
G
P
PPA-
N
Q
---
S
----
Y
I
V
I
D
K
V
M
A
A
I
R
A
T
G
A
Q
A
V
H
P
G
Y
G
F
L
S
E
N
S
K
F
A
E
A
L
E
A
E
G
V
I
F
V
G
P
P
K
G
A
I
E
A
M
G
D
K
I
T
S
K
K
I
A
Q
E
A
N
V
S
-------
T
-------
V
--------
P
G
-----------------------------------------------------------------------------------------
V
T
Q
P
R
H
I
E
I
Q
V
L
C
D
S
H
G
N
G
I
Y
L
G
E
R
E
C
S
I
Q
R
R
N
Q
K
V
V
E
E
A
P
S
P
-
F
L
D
--
E
A
T
R
R
A
M
G
E
Q
A
V
A
L
A
K
A
V
G
Y
A
S
A
G
T
V
E
F
I
V
D
G
Q
----
K
N
F
Y
F
L
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
L
I
T
G
V
D
L
V
E
Q
M
I
R
V
A
--
A
G
E
---
P
---
L
S
I
--------
T
Q
GD------
V
-
K
L
T
--
G
W
A
I
E
N
R
L
Y
A
E
D
P
Y
R
G
F
L
P
S
I
G
R
L
T
R
Y
R
P
P
A
E
----------
A
A
V
R
N
D
T
G
-
V
-
Y
E
G
G
E
I
S
M
Y
Y
D
P
M
I
A
K
L
C
T
W
A
P
T
R
A
A
A
I
E
A
M
R
I
A
L
D
S
F
E
V
E
G
I
G
H
N
L
P
F
L
S
A
V
M
D
H
P
K
F
I
S
G
D
M
T
T
A
F
I
------
A
E
---
E
-
Y
P
-
E
G
F
E
G
V
N
L
P
-------------
E
T
--
D
L
R
R
V
A
A
A
A
A
A
M
--
H
---
R
V
--
A
E
I
R
R
T
R
VSGRMDNH
E
R
R
--
V
-
G
T
E
W
-
V
V
T
L
----------
Q
G
A
D
-
F
P
V
T
I
A
A
D
-
H
D
G
S
T
V
S
F
D
D
G
S
S
M
R
V
T
S
D
W
T
P
G
D
Q
L
A
N
L
M
V
D
G
A
P
L
V
L
K
V
G
K
I
S
G
G
F
R
I
R
T
R
G
-
A
D
L
K
V
H
V
R
T
P
R
Q
A
E
L
A
R
L
M
P
E
K
L
P
P
D
T
S
K
M
--
L
L
C
P
M
P
G
L
I
V
K
V
D
V
E
V
G
Q
E
V
Q
E
G
Q
A
L
C
T
I
E
A
M
K
M
E
N
I
L
R
A
E
K
K
G
V
V
A
K
I
N
A
S
A
G
N
S
L
A
V
D
D
V
I
M
E
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
84.50
35%
-82
- C2 -
3N6R
1
?
E:
[2-681]
---
F
N
K
I
L
I
A
N
R
G
E
I
A
C
R
V
I
K
T
A
R
K
M
G
I
S
T
V
A
I
Y
S
D
A
D
K
Q
A
L
H
V
Q
M
A
D
E
A
V
H
I
GPP
P
A
----
N
Q
---
S
----
Y
I
V
I
D
K
V
M
A
A
I
R
A
T
G
A
Q
A
V
H
P
G
Y
G
F
L
S
E
N
S
K
F
A
E
A
L
E
A
E
G
V
I
F
V
G
P
P
K
G
A
I
E
A
M
G
D
K
I
T
S
K
K
I
A
Q
E
A
N
V
S
TVPG---------------------------------------------------------------------------------------------------------------
V
T
Q
P
R
H
I
E
I
Q
V
L
C
D
S
H
G
N
G
I
Y
L
G
E
R
E
C
S
I
Q
R
R
N
Q
K
V
V
E
E
A
P
S
P
-
F
L
D
E
--
A
T
R
R
A
M
G
E
Q
A
V
A
L
A
K
A
V
G
Y
A
S
A
G
T
V
E
F
I
V
D
G
----
Q
K
N
F
Y
F
L
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
L
I
T
G
V
D
L
V
E
Q
M
I
R
V
A
--
A
G
E
---
P
---
L
S
I
--------
T
Q
--------
G
-
D
V
K
LT
G
W
A
I
E
N
R
L
Y
A
E
D
P
Y
R
G
F
L
P
S
I
G
R
L
T
R
Y
R
P
P
A
E
----------
A
A
V
R
N
D
T
G
-
V
-
Y
E
G
G
E
I
S
M
Y
Y
D
P
M
I
A
K
L
C
T
W
A
P
T
R
A
A
A
I
E
A
M
R
I
A
L
D
S
F
E
V
E
G
I
G
H
N
L
P
F
L
S
A
V
M
D
H
P
K
F
I
S
G
D
M
T
T
A
F
I
------
A
E
EYP
E
-
G
F
E
G
V
N
L
P
E
-
T
D
LRRVAAAAAAMHR
V
A
E
I
R
R
T
R
V
S
G
R
M
D
----
N
---
H
E
--
R
R
V
G
T
E
W
--------
V
V
T
--
L
Q
G
A
D
F
P
V
T
I
A
A
D
H
D
G
S
T
V
S
F
D
D
G
S
S
M
R
V
T
S
D
W
T
----------
P
G
D
Q
--
L
A
N
L
M
-
V
D
G
A
P
L
V
L
K
V
G
K
I
S
G
G
F
R
I
R
T
R
G
A
D
L
K
V
-
H
V
R
-
T
P
R
Q
A
E
L
A
-
R
--
L
M
-----
P
E
K
L
P
P
D
T
S
K
M
--
L
L
C
P
M
P
G
L
I
V
K
V
D
V
E
V
G
Q
E
V
Q
E
G
Q
A
L
C
T
I
E
A
M
K
M
E
N
I
L
R
A
E
K
K
G
V
V
A
K
I
N
A
S
A
G
N
S
L
A
V
D
D
V
I
M
E
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
125
HHSearch
84.49
41%
-90
- C2 -
2DZD
-
?
A:
[4-457]
-
R
R
I
R
K
V
L
V
A
N
R
G
E
I
A
I
R
V
F
R
A
C
T
E
L
G
I
R
T
V
A
I
Y
S
K
E
D
V
G
S
Y
H
R
Y
K
A
D
E
A
Y
L
V
---
G
E
GKK
P
I
E
---
A
----
Y
L
D
I
E
G
I
I
E
I
A
K
A
H
D
V
D
A
I
H
P
G
Y
G
F
L
S
E
N
I
Q
F
A
K
R
C
R
E
E
G
I
I
F
I
G
P
N
E
N
H
L
D
M
F
G
D
K
V
K
A
R
H
A
A
V
N
A
G
I
P
-------
V
-------
I
--------
P
G
S
DG
P
------
V
--
D
---
G
L
E
D
V
V
A
F
A
E
A
H
G
---
Y
------
P
I
I
I
K
A
A
L
G
G
G
G
R
G
M
R
I
V
R
S
K
S
E
V
K
E
A
F
E
R
A
K
S
E
A
K
A
A
F
G
S
D
E
V
Y
V
E
K
L
I
E
N
P
K
H
I
E
V
Q
I
L
G
D
Y
E
G
N
I
V
H
L
Y
E
R
D
C
S
V
Q
R
R
H
Q
K
V
V
E
V
A
P
S
V
-
S
L
S
--
D
E
L
R
Q
R
I
C
E
A
A
V
Q
L
M
R
S
V
G
Y
V
N
A
G
T
V
E
F
L
V
S
G
-----
D
E
F
Y
F
I
E
V
N
P
R
I
Q
V
E
H
T
I
T
E
M
I
T
G
I
D
I
V
Q
S
Q
I
L
I
A
--
D
G
C
---
S
---
L
H
S
--------
H
E
VGIPKQED
I
-
R
I
N
--
G
Y
A
I
Q
S
R
V
T
T
E
D
P
L
N
N
F
M
P
D
T
G
K
I
M
A
Y
R
S
G
G
G
----------
F
G
V
R
L
D
A
G
N
G
-
F
Q
G
A
V
I
T
P
Y
Y
D
S
L
L
V
K
L
S
T
W
A
L
T
F
E
Q
A
A
R
K
M
L
R
N
L
R
E
F
R
I
R
G
I
K
T
N
I
P
F
L
E
N
V
V
Q
H
P
K
F
L
S
G
E
Y
D
T
S
F
I
------
D
T
---
T
-
P
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
84.43
35%
-82
- C2 -
3N6R
1
?
A:
[2-681]
---
F
N
K
I
L
I
A
N
R
G
E
I
A
C
R
V
I
K
T
A
R
K
M
G
I
S
T
V
A
I
Y
S
D
A
D
K
Q
A
L
H
V
Q
M
A
D
E
A
V
H
I
GPP
P
A
----
N
Q
---
S
----
Y
I
V
I
D
K
V
M
A
A
I
R
A
T
G
A
Q
A
V
H
P
G
Y
G
F
L
S
E
N
S
K
F
A
E
A
L
E
A
E
G
V
I
F
V
G
P
P
K
G
A
I
E
A
M
G
D
K
I
T
S
K
K
I
A
Q
E
A
N
V
S
TVPG---------------------------------------------------------------------------------------------------------------
V
T
Q
P
R
H
I
E
I
Q
V
L
C
D
S
H
G
N
G
I
Y
L
G
E
R
E
C
S
I
Q
R
R
N
Q
K
V
V
E
E
A
P
S
P
-
F
L
D
E
--
A
T
R
R
A
M
G
E
Q
A
V
A
L
A
K
A
V
G
Y
A
S
A
G
T
V
E
F
I
V
D
G
----
Q
K
N
F
Y
F
L
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
L
I
T
G
V
D
L
V
E
Q
M
I
R
V
A
--
A
G
E
---
P
---
L
S
I
--------
T
Q
--------
G
-
D
V
K
L
T
G
W
A
I
E
N
R
L
Y
A
E
D
P
Y
R
G
F
L
P
S
I
G
R
L
T
R
Y
R
P
P
A
E
----------
A
A
V
R
N
D
T
G
-
V
-
Y
E
G
G
E
I
S
M
Y
Y
D
P
M
I
A
K
L
C
T
W
A
P
T
R
A
A
A
I
E
A
M
R
I
A
L
D
S
F
E
V
E
G
I
G
H
N
L
P
F
L
S
A
V
M
D
H
P
K
F
I
S
G
D
M
T
T
A
F
I
------
A
E
E
Y
P
E
-
G
F
E
G
V
N
L
P
E
-
T
D
L
R
R
V
A
A
A
A
A
A
M
H
R
V
A
E
I
R
R
T
R
V
S
G
R
M
D
----
N
---
H
E
--
R
R
V
G
T
E
W
--------
V
V
T
--
L
Q
G
A
D
F
P
V
T
I
A
A
D
H
D
G
S
T
V
S
F
D
D
G
S
S
M
R
V
T
S
D
W
T
----------
P
G
D
Q
--
L
A
N
L
M
-
V
D
G
A
P
L
V
L
K
V
G
K
I
S
G
G
F
R
I
R
T
R
G
A
D
L
K
V
-
H
V
R
-
T
P
R
Q
A
E
L
A
-
R
--
L
M
-----
P
E
K
L
P
P
D
T
S
K
M
--
L
L
C
P
M
P
G
L
I
V
K
V
D
V
E
V
G
Q
E
V
Q
E
G
Q
A
L
C
T
I
E
A
M
K
M
E
N
I
L
R
A
E
K
K
G
V
V
A
K
I
N
A
S
A
G
N
S
L
A
V
D
D
V
I
M
E
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
129
HHSearch
84.10
44%
-84
- C2 -
4MV4
5
ACCC_HAEIN
A:
[21-465]
--
M
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
---
G
P
APS-
A
K
---
S
----
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
-------
C
-------
V
--------
P
G
S
--
D
------
G
--
P
VSN
D
I
A
K
N
K
E
I
A
K
R
I
G
---
Y
------
P
I
I
I
K
A
S
G
G
G
G
---
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
A
K
A
A
F
N
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
T
--
E
E
V
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
--
A
G
L
---
P
---
I
S
F
--------
K
Q
ED------
I
-
K
V
K
--
G
H
A
M
E
C
R
I
N
A
E
D
P
K
-
T
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
G
----------
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
------
E
K
---
K
-
L
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
83.85
42%
-81
- C2 -
3U9T
-
?
A:
[49-639]
---
I
Q
R
L
L
V
A
N
R
G
E
I
A
C
R
V
M
R
S
A
R
A
L
G
I
G
S
V
A
V
H
S
D
I
D
R
H
A
R
H
V
A
E
A
D
I
A
V
D
L
G
GA
K
P
----
A
D
---
S
----
Y
L
R
G
D
R
I
I
A
A
A
L
A
S
G
A
Q
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
R
A
C
E
E
A
G
L
L
F
L
G
P
P
A
A
A
I
D
A
M
G
S
K
S
A
A
K
A
L
M
E
E
A
G
V
P
-------
L
-------
V
P
G
Y
H
G
E
A
-
Q
D
L
--
E
------
T
--
F
---
R
-------
R
E
A
G
R
---
I
GY----
P
V
L
L
K
A
A
A
------
M
K
V
V
E
R
E
A
E
L
A
E
A
L
S
S
A
Q
R
--------
A
R
M
L
V
E
K
Y
L
L
K
P
R
H
V
E
I
Q
V
F
A
D
R
H
G
H
C
L
Y
L
N
E
R
D
C
S
I
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
L
G
--
A
E
L
R
R
A
M
G
E
A
A
V
R
A
A
Q
A
I
G
Y
V
G
A
G
T
V
E
F
L
L
D
E
----
R
G
Q
F
F
F
M
E
M
N
T
R
L
Q
V
E
H
P
V
T
E
A
I
T
G
L
D
L
V
A
W
Q
I
R
V
A
R
G
E
A
L
---
P
---
L
T
Q
--------
E
Q
--------
V
-
P
L
N
--
G
H
A
I
E
V
R
L
Y
A
E
D
P
E
G
D
F
L
P
A
S
G
R
L
M
L
---------
Y
R
E
A
A
A
G
P
G
R
R
V
D
S
G
-
V
-
R
E
G
D
E
V
S
P
F
Y
D
P
M
L
A
K
L
I
A
W
G
E
T
R
E
E
A
R
Q
R
L
L
A
M
L
A
E
T
S
V
G
G
L
R
T
N
L
A
F
L
R
R
I
L
G
H
P
A
F
A
A
A
E
L
D
T
G
F
I
------
A
R
---
H
-
Q
D
D
L
L
P
A
P
Q
-
A
L
-------------
P
E
H
F
W
Q
A
A
A
E
A
W
L
Q
----
S
---
E
P
--
G
H
R
R
D
D
D
--------
P
H
S
PW
S
R
N
D
G
W
-
R
S
------
A
L
A
R
E
S
D
L
M
L
R
C
R
D
E
R
R
C
V
-
R
L
R
H
A
S
---
P
S
Q
-------
Y
R
L
D
G
D
D
L
V
S
R
V
D
G
V
T
R
R
S
A
A
L
R
R
G
R
Q
L
F
L
E
W
E
G
-
E
L
L
A
I
E
A
V
-
D
--
P
I
A----
E
A
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
83.64
41%
-81
- C2 -
2VQD
3
ACCC_PSEAE
A:
[2-447]
---
L
E
K
V
L
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
E
L
M
H
L
S
L
A
D
E
S
V
C
I
GPA
P
A
----
T
Q
---
S
----
Y
L
Q
I
P
A
I
I
A
A
A
E
V
T
G
A
T
A
I
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
Q
I
E
R
S
G
F
T
F
V
G
P
T
A
E
V
I
R
L
M
G
D
K
V
S
A
K
D
A
M
K
R
A
G
V
P
-------
T
VPGSDGP
L
--------
P
E
D
--
E
------
E
--
T
---
A
-------
L
A
I
A
R
E
V
G
Y
------
P
V
I
I
K
A
A
G
G
G
G
G
R
G
M
R
V
V
Y
D
E
S
E
L
I
K
S
A
K
L
T
R
T
E
A
G
A
A
F
G
N
P
M
V
Y
L
E
K
F
L
T
N
P
R
H
V
E
V
Q
V
L
S
D
G
Q
G
N
A
I
H
L
G
D
R
D
C
S
L
Q
R
R
H
Q
K
V
I
E
E
A
P
A
P
-
G
I
D
E
--
K
A
R
Q
E
V
F
A
R
C
V
Q
A
C
I
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
E
N
-----
G
R
F
Y
F
I
E
M
N
T
R
V
Q
V
E
H
P
V
S
E
M
V
T
G
V
D
I
V
K
E
M
L
R
I
A
--
S
G
E
---
K
---
L
S
I
RQ------
E
D
--------
V
-
V
I
R
--
G
H
A
L
E
C
R
I
N
A
E
D
P
K
-
T
F
M
P
S
P
G
K
V
K
H
F
H
A
P
G
----------
G
N
G
V
R
V
D
S
H
-
L
-
Y
S
G
Y
S
V
P
P
N
Y
D
S
L
V
G
K
V
I
T
Y
G
A
D
R
D
E
A
L
A
R
M
R
N
A
L
D
E
L
I
V
D
G
I
K
T
N
T
E
L
H
K
D
L
V
R
D
A
A
F
C
K
G
G
V
N
I
H
Y
L
E
K
K
L
GM
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
140
Fugue
83.26
31%
-65
- C2 -
3VA7
10
?
A:
[28-1236]
K
K
P
F
E
T
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
HGR
T
A
----
A
E
---
T
----
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
E
N
-------------------------------------------------------------------------------------------------
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
K
--------------
H
S
A
R
E
I
A
E
R
A
K
V
P
---
L
V
P
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
-
N
L
P
--
E
A
T
R
A
K
M
R
A
A
S
E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
D
E
Q
R
D
---
E
F
Y
F
L
E
V
N
A
R
L
Q
V
E
H
P
I
T
E
M
V
T
G
L
D
L
V
E
W
M
L
R
I
A
--
A
N
D
---
S
PD-
F
D
N
--------
T
K
--------
I
-
E
V
S
--
G
A
S
I
E
A
R
L
Y
A
E
N
P
V
K
D
F
R
P
S
P
G
Q
L
T
S
V
S
F
P
------------
S
W
A
R
V
D
T
W
-
V
-
K
K
G
T
N
V
S
A
E
Y
D
P
T
L
A
K
I
I
V
H
G
K
D
R
N
D
A
I
M
K
L
N
Q
A
L
N
E
T
A
V
Y
G
C
I
T
N
I
D
Y
L
R
S
I
A
S
S
K
M
F
K
E
A
K
V
A
T
K
V
L
------
D
S
---
F
-------
D
Y
K
-
P
C
-------------
A
F
E
V
L
A
P
G
A
N
T
S
V
Q
----
D
---
Y
P
GR
T
G
Y
W
R
I
G
--------
V
-----
P
P
S
G
P
-
M
D
S
Y
S
F
R
L
A
N
R
V
V
G
N
N
S
K
S
P
A
L
E
I
T
L
N
-
G
P
K
L
L
F
---
H
T
E
T
--
V
I
A
V
S
G
G
T
V
S
C
T
L
N
D
A
Q
I
A
Q
N
E
P
I
E
V
K
R
G
D
I
L
S
V
G
K
V
T
V
G
C
R
A
Y
L
S
I
-
R
--
G
G
-----
I
D
V
P
E
Y
L
G
S
R
S
TF
A
M
G
N
M
G
G
Y
N
G
R
-
I
L
K
L
G
D
V
L
F
L
N
Q
P
E
L
S
V
S
S
L
P
A
P
D
F
E
P
Q
A
A
P
K
S
L
L
-
P
T
L
S
T
N
K
D
W
K
I
G
V
T
C
--------
G
P
H
G
S
I
D
L
FK
E
E
Y
I
E
Q
F
F
N
D
K
W
K
V
H
YNSNRF
G
V
R
L
I
G
P
K
P
K
W
ARSDGGEAGLHPSNAH
D
Y
V
Y
S
LGAINFTGD
E
P
V
I
I
T
CDGPSLGGFVCQAVVAEAE
L
W
K
V
G
Q
LTPG
D
T
I
Q
F
V
P
L
S
Y
G
V
A
R
Q
L
K
E
S
Q
D
K
S
I
D
NFEEGSLLELSDDKILPKYENPIL
A
V
L
P
KKSDLS
P
K
V
T
Y
R
Q
A
G
DR
Y
I
L
V
E
Y
G
ELEFD
L
N
I
C
Y
R
I
N
R
L
I
H
Q
V
E
R
H
QTVGIV
E
M
S
Q
G
VR
S
V
L
I
E
F
D
GSKIN
Q
K
A
L
L
K
C
L
I
A
Y
E
S
E
I
Q
F
D
KN
W
N
V
K
S
K
I
F
K
L
P
M
A
F
ED
S
K
T
L
D
C
V
T
R
Y
R
E
TIRSEAPWLPN
N
V
D
F
I
A
D
V
N
DID
R
N
D
V
K
N
M
L
Y
S
A
K
F
M
V
LGLGDVFLGSPCAVPLDPRH
R
Y
L
G
T
K
Y
NPSRTYTARG
V
V
G
I
G
GM
Y
M
C
I
YNAEGSPGGYQLV
G
R
T
I
TAWDKLVIGDHPIDHPWLLTPF
D
Q
V
E
F
Y
P
V
T
E
E
E
L
E
V
I
I
E
D
N
D
N
GKFKID
V
E
E
S
I
F
D
H
K
E
Y
L
A
W
I
N
E
N
I
D
S
I
V
A
F
Q
E
A
QGG
E
K
A
D
E
F
A
R
L
I
Q
VANAELKKSEEYPDDAE
L
L
Y
S
E
Y
T
G
R
FWKPVAAVG
D
H
V
E
AGDGVIIIEAMKTE
M
V
V
G
A
T
K
S
G
K
VYKILHKNG
D
M
V
E
AGDLVAVIV
81
PsiBlast_CBE
82.87
40%
-85
- C2 -
2V5A
2
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
82.83
38%
-88
- C2 -
2DZD
-
?
A:
[6-454]
---
I
R
K
V
L
V
A
N
R
G
E
I
A
I
R
V
F
R
A
C
T
E
L
G
I
R
T
V
A
I
Y
S
K
E
D
V
G
S
Y
H
R
Y
K
A
D
E
A
Y
L
V
---
G
E
----
G
K
---
K
P
I
E
A
Y
L
D
I
E
G
I
I
E
I
A
K
A
H
D
V
D
A
I
H
P
G
Y
G
F
L
S
E
N
I
Q
F
A
K
R
C
R
E
E
G
I
I
F
I
G
P
N
E
N
H
L
D
M
F
G
D
K
V
K
A
R
H
A
A
V
N
A
G
I
P
-------
V
-------
I
--------
P
G
S
--
D
GPVDG
L
E
--
D
---
V
-------
V
A
F
A
E
A
HG
Y
------
P
I
I
I
K
A
A
L
G
G
G
G
R
G
M
R
I
V
R
S
K
S
E
V
K
E
A
F
E
R
A
K
S
E
A
K
A
A
F
G
S
D
E
V
Y
V
E
K
L
I
E
N
P
K
H
I
E
V
Q
I
L
G
D
Y
E
G
N
I
V
H
L
Y
E
R
D
C
S
V
Q
R
R
H
Q
K
V
V
E
V
A
P
S
---
V
S
L
S
D
E
L
R
Q
R
I
C
E
A
A
V
Q
L
M
R
S
V
G
Y
V
N
A
G
T
V
E
F
L
V
S
G
D
-----
E
F
Y
F
I
E
V
N
P
R
I
Q
V
E
H
T
I
T
E
M
I
T
G
I
D
I
V
Q
S
Q
I
L
I
A
--
D
G
C
---
S
---
L
H
S
HEVGIPKQ
E
D
--------
I
-
R
I
N
--
G
Y
A
I
Q
S
R
V
T
T
E
D
P
L
N
N
F
M
P
D
T
G
-----
K
I
M
A
Y
R
S
-----
G
G
G
F
G
V
R
L
D
A
G
-
N
G
F
Q
G
A
V
I
T
P
Y
Y
D
S
L
L
V
K
L
S
T
W
A
L
T
F
E
Q
A
A
R
K
M
L
R
N
L
R
E
F
R
I
R
G
I
K
T
N
I
P
F
L
E
N
V
V
Q
H
P
K
F
L
S
G
E
Y
D
T
S
F
I
------
D
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
127
HHSearch
82.73
41%
-87
- C2 -
3OUZ
15
?
A:
[4-446]
-
M
E
I
K
S
I
L
I
A
N
R
G
E
I
A
L
R
A
L
R
T
I
K
E
M
G
K
K
A
I
C
V
Y
S
E
A
D
K
D
A
L
Y
L
K
Y
A
D
A
S
I
C
I
---
G
K
ARS-
S
E
---
S
----
Y
L
N
I
P
A
I
I
A
A
A
E
I
A
E
A
D
A
I
F
P
G
Y
G
F
L
S
E
N
Q
N
F
V
E
I
C
A
K
H
N
I
K
F
I
G
P
S
V
E
A
M
N
L
M
S
D
K
S
K
A
K
Q
V
M
Q
R
A
G
V
P
-------
V
-------
I
--------
P
G
S
--
D
------
G
AL
A
---
G
A
E
A
A
K
K
L
A
K
E
I
G
---
Y
------
P
V
I
L
K
A
A
A
G
G
G
G
R
G
M
R
V
V
E
N
E
K
D
L
E
K
A
Y
W
S
A
E
S
E
A
M
T
A
F
G
D
G
T
M
Y
M
E
K
Y
I
Q
N
P
R
H
I
E
V
Q
V
I
G
D
S
F
G
N
V
I
H
V
G
E
R
D
C
S
M
Q
R
R
H
Q
K
L
I
E
E
S
P
A
I
-
L
L
D
--
E
K
T
R
T
R
L
H
E
T
A
I
K
A
A
K
A
I
G
Y
E
G
A
G
T
F
E
F
L
V
D
K
N
----
L
D
F
Y
F
I
E
M
N
T
R
L
Q
V
E
H
C
V
S
E
M
V
S
G
I
D
I
I
E
Q
M
I
K
V
A
--
E
G
Y
---
A
---
L
P
S
--------
Q
E
--------
S
I
K
L
N
--
G
H
S
I
E
C
R
I
T
A
E
D
S
-
K
T
F
L
P
S
P
G
K
I
T
K
Y
I
P
P
A
G
----------
R
N
V
R
M
E
S
H
-
C
-
Y
Q
D
Y
S
V
P
A
Y
Y
D
S
M
I
G
K
L
V
V
W
A
E
D
R
N
K
A
I
A
K
M
K
V
A
L
D
E
L
L
I
S
G
I
K
T
T
K
D
F
H
L
S
M
M
E
N
P
D
F
I
N
N
N
Y
D
T
N
Y
L
------
A
R
---
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
82.66
40%
-85
- C2 -
3G8C
4
ACCC_ECOLI
B:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
82.45
40%
-84
- C2 -
2W70
2
ACCC_ECOLI
B:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
82.40
40%
-84
- C2 -
2W6Q
2
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
82.38
40%
-86
- C2 -
2W71
2
ACCC_ECOLI
C:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
82.37
42%
-85
- C2 -
4MV4
5
ACCC_HAEIN
A:
[22-465]
---
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
GPA
P
S
----
A
K
---
S
----
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
-------
C
-------
V
--------
P
G
S
--
D
GPVS--
N
--
D
---
I
-------
A
K
N
K
E
---
I
A
K
R
I
GY
P
I
I
I
K
A
S
G
G
G
G
---
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
A
K
A
A
F
N
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
---
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
---
A
G
LPI
S
---
F
K
Q
--------
E
D
--------
I
-
K
V
K
--
G
H
A
M
E
C
R
I
N
A
E
D
P
K
-
T
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
----------
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
------
E
K
---
K
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
84
PsiBlast_CBE
82.33
40%
-85
- C2 -
2V58
2
ACCC_ECOLI
B:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
83
PsiBlast_CBE
82.31
40%
-85
- C2 -
2V59
1
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
73
PsiBlast_CBE
82.28
40%
-87
- C2 -
2W6O
2
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
PsiBlast_CBE
82.27
40%
-84
- C2 -
2W6N
2
ACCC_ECOLI
B:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
82.26
40%
-86
- C2 -
2W6Q
2
ACCC_ECOLI
B:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
97
PsiBlast_CBE
82.25
39%
-86
- C2 -
3G8D
3
ACCC_ECOLI
B:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
A
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
76
PsiBlast_CBE
82.24
40%
-85
- C2 -
2W6M
2
ACCC_ECOLI
B:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
96
PsiBlast_CBE
82.21
39%
-84
- C2 -
3RV4
10
ACCC_ECOLI
A:
[5-444]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
E
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
82.15
39%
-82
- C2 -
3JZF
1
ACCC_ECOLI
B:
[23-466]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
K
---
K
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
82.14
42%
-90
- C2 -
4MV3
3
ACCC_HAEIN
A:
[22-465]
---
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
GPA
P
S
----
A
K
---
S
----
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
-------
C
-------
V
--------
P
G
S
--
D
GPVS--
N
--
D
---
I
-------
A
K
N
K
E
---
I
A
K
R
I
GY
P
I
I
I
K
A
S
G
------
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
A
K
A
A
F
N
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
---
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
---
A
G
LPI
S
---
F
K
Q
--------
E
D
--------
I
-
K
V
K
--
G
H
A
M
E
C
R
I
N
A
E
D
P
K
-
T
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
----------
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
------
E
K
---
K
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
82.09
40%
-85
- C2 -
2W6Z
2
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
82.02
40%
-85
- C2 -
2W71
2
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
75
PsiBlast_CBE
82.00
40%
-85
- C2 -
2W6N
2
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
81.98
40%
-85
- C2 -
2W70
2
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
126
HHSearch
81.90
39%
-78
- C2 -
2VPQ
4
?
A:
[2-445]
----
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
---
G
P
TLS-
K
D
---
S
----
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
-------
V
-------
V
--------
P
G
S
DG
L
------
M
--
K
---
D
V
S
E
A
K
K
I
A
K
K
I
G
---
Y
------
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
-
I
L
D
--
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
D
L
N
D
---
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
--
M
G
D
---
V
---
L
P
Y
--------
K
Q
ED------
I
-
K
L
T
--
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
F
M
P
S
P
G
K
I
E
Q
Y
L
A
P
G
G
----------
Y
G
V
R
I
E
S
A
-
C
-
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
N
N
D
I
F
R
S
G
K
F
N
T
N
F
L
------
E
Q
---
N
-
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
85
PsiBlast_CBE
81.86
40%
-84
- C2 -
2V58
2
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
92
PsiBlast_CBE
81.78
40%
-81
- C2 -
3RUP
6
ACCC_ECOLI
B:
[5-444]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
90
PsiBlast_CBE
81.73
40%
-84
- C2 -
3RV3
3
ACCC_ECOLI
B:
[5-444]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
82
PsiBlast_CBE
81.73
40%
-85
- C2 -
2V59
1
ACCC_ECOLI
B:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
PsiBlast_CBE
81.70
40%
-84
- C2 -
3G8C
4
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
77
PsiBlast_CBE
81.65
40%
-84
- C2 -
2W6M
2
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
81.60
40%
-84
- C2 -
2W6P
1
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
81.58
39%
-83
- C2 -
3JZI
1
ACCC_ECOLI
B:
[23-465]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
K
---
K
L------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
81.51
39%
-81
- C2 -
3JZI
1
ACCC_ECOLI
A:
[23-466]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
K
---
K
L
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
91
PsiBlast_CBE
81.47
40%
-83
- C2 -
3RV3
3
ACCC_ECOLI
A:
[5-444]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
87
PsiBlast_CBE
81.43
40%
-85
- C2 -
2J9G
3
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
--
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
93
PsiBlast_CBE
81.39
40%
-81
- C2 -
3RUP
5
ACCC_ECOLI
A:
[5-444]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
81.34
42%
-90
- C2 -
4MV1
4
ACCC_HAEIN
A:
[22-464]
---
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
GPA
P
S
----
A
K
---
S
----
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
-------
C
-------
V
--------
P
G
S
--
D
GPVS--
N
--
D
---
I
-------
A
K
N
K
E
---
I
A
K
R
I
GY
P
I
I
I
K
A
S
G
------
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
--------
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
---
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
---
A
G
LPI
S
---
F
K
Q
--------
E
D
--------
I
-
K
V
K
--
G
H
A
M
E
C
R
I
N
A
E
D
P
K
-
T
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
----------
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
------
E
K
---
K
L------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
79
PsiBlast_CBE
81.10
40%
-89
- C2 -
2VR1
2
ACCC_ECOLI
A:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
--
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
80.98
40%
-85
- C2 -
2W6O
2
ACCC_ECOLI
C:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
106
PsiBlast_CBE
80.80
37%
-79
- C2 -
2VPQ
4
?
A:
[2-446]
----
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
---
G
P
----
T
L
---
S
KDS-
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
-------
V
-------
V
PGS-----
D
G
L
--
M
------
K
--
D
---
V
-------
S
E
A
K
K
---
I
A
K
K
I
GY
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
-
I
L
D
--
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
D
L
N
---
D
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
M
G
D
V
L
---
P
---
Y
K
Q
--------
E
D
--------
I
-
K
L
T
--
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
F
M
P
S
P
G
K
I
E
Q
Y
L
A
P
G
----------
G
Y
G
V
R
I
E
S
A
-
C
-
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
N
N
D
I
F
R
S
G
K
F
N
T
N
F
L
------
E
Q
---
N
-
S
I
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
105
PsiBlast_CBE
80.80
37%
-80
- C2 -
2VPQ
4
?
B:
[2-446]
----
K
K
V
L
I
A
N
R
G
E
I
A
V
R
I
I
R
A
C
R
D
L
G
I
Q
T
V
A
I
Y
S
E
G
D
K
D
A
L
H
T
Q
I
A
D
E
A
Y
C
V
---
G
P
----
T
L
---
S
KDS-
Y
L
N
I
P
N
I
L
S
I
A
T
S
T
G
C
D
G
V
H
P
G
Y
G
F
L
A
E
N
A
D
F
A
E
L
C
E
A
C
Q
L
K
F
I
G
P
S
Y
Q
S
I
Q
K
M
G
I
K
D
V
A
K
A
E
M
I
K
A
N
V
P
-------
V
-------
V
PGS-----
D
G
L
--
M
------
K
--
D
---
V
-------
S
E
A
K
K
---
I
AKKIGY
P
V
I
I
K
A
T
A
G
G
G
G
K
G
I
R
V
A
R
D
E
K
E
L
E
T
G
F
R
M
T
E
Q
E
A
Q
T
A
F
G
N
G
G
L
Y
M
E
K
F
I
E
N
F
R
H
I
E
I
Q
I
V
G
D
S
Y
G
N
V
I
H
L
G
E
R
D
C
T
I
Q
R
R
M
Q
K
L
V
E
E
A
P
S
P
-
I
L
D
--
D
E
T
R
R
E
M
G
N
A
A
V
R
A
A
K
A
V
N
Y
E
N
A
G
T
I
E
F
I
Y
D
L
N
---
D
N
K
F
Y
F
M
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
V
T
G
I
D
L
V
K
L
Q
L
Q
V
A
MG
D
V
L
---
P
---
Y
K
Q
--------
E
D
--------
I
-
K
L
T
--
G
H
A
I
E
F
R
I
N
A
E
N
P
Y
K
N
F
M
P
S
P
G
K
I
E
Q
Y
L
A
P
G
----------
G
Y
G
V
R
I
E
S
A
-
C
-
Y
T
N
Y
T
I
P
P
Y
Y
D
S
M
V
A
K
L
I
I
H
E
P
T
R
D
E
A
I
M
A
G
I
R
A
L
S
E
F
V
V
L
G
I
D
T
T
I
P
F
H
I
K
L
L
N
N
D
I
F
R
S
G
K
F
N
T
N
F
L
------
E
Q
---
N
-
S
I
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
80.73
42%
-88
- C2 -
4MV8
2
ACCC_HAEIN
A:
[22-466]
---
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
GPA
P
S
----
A
K
---
S
----
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
-------
C
-------
V
--------
P
G
S
--
D
GPVS--
N
--
D
---
I
-------
A
K
N
K
E
---
I
A
K
R
I
GY
P
I
I
I
K
A
S
G
G
-----
M
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
----------
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
---
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
---
A
G
LPI
S
---
F
K
Q
--------
E
D
--------
I
-
K
V
K
--
G
H
A
M
E
C
R
I
N
A
E
D
P
K
-
T
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
----------
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
------
E
K
---
K
L
G
M
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
80.72
42%
-90
- C2 -
4RZQ
2
ACCC_HAEIN
A:
[22-466]
---
L
E
K
V
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
T
A
D
R
D
L
K
H
V
L
L
A
D
E
T
I
C
I
GPA
P
S
----
A
K
---
S
----
Y
L
N
I
P
A
I
I
A
A
A
E
V
T
G
A
D
A
I
H
P
G
Y
G
F
L
S
E
N
A
D
F
A
E
Q
V
E
R
S
G
F
T
F
I
G
P
T
A
D
V
I
R
L
M
G
D
K
V
S
A
I
K
A
M
K
K
A
G
V
P
-------
C
-------
V
--------
P
G
S
--
D
GP-------------------
A
K
N
K
E
---
I
A
K
R
I
GY
P
I
I
I
K
----------
R
V
V
R
S
E
D
A
L
E
E
S
I
A
M
T
K
A
E
----------
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
T
H
G
N
A
V
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
G
I
T
E
E
V
---
R
R
D
I
G
S
R
C
A
N
A
C
V
E
I
G
Y
R
G
A
G
T
F
E
F
L
Y
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
V
K
E
Q
L
R
I
A
---
A
G
LPI
S
---
F
K
Q
--------
E
D
--------
I
-
K
V
K
--
G
H
A
M
E
C
R
I
N
A
E
D
P
K
-
T
F
L
P
S
P
G
K
V
N
H
L
H
S
P
G
----------
G
L
G
V
R
W
D
S
H
-
V
-
Y
G
G
Y
T
V
P
P
H
Y
D
S
M
I
A
K
L
I
T
Y
G
D
T
R
E
V
A
I
R
R
M
Q
N
A
L
S
E
T
I
I
D
G
I
K
T
N
I
P
L
H
E
L
I
L
E
D
E
N
F
Q
K
G
G
T
N
I
H
Y
L
------
E
K
---
K
L
G
M
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
86
PsiBlast_CBE
80.65
40%
-87
- C2 -
2J9G
3
ACCC_ECOLI
B:
[2-441]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSD
G
P
L
G
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
--
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
---
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
E
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
94
PsiBlast_CBE
80.51
39%
-84
- C2 -
1DV2
1
ACCC_ECOLI
B:
[5-444]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
K
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
95
PsiBlast_CBE
80.23
39%
-84
- C2 -
1DV2
1
ACCC_ECOLI
A:
[5-444]
---
L
D
K
I
V
I
A
N
R
G
E
I
A
L
R
I
L
R
A
C
K
E
L
G
I
K
T
V
A
V
H
S
S
A
D
R
D
L
K
H
V
L
L
A
D
E
T
V
C
I
GPA
P
S
----
V
K
---
S
----
Y
L
N
I
P
A
I
I
S
A
A
E
I
T
G
A
V
A
I
H
P
G
Y
G
F
L
S
E
N
A
N
F
A
E
Q
V
E
R
S
G
F
I
F
I
G
P
K
A
E
T
I
R
L
M
G
D
K
V
S
A
I
A
A
M
K
K
A
G
V
P
-------
C
-------
V
PGSDGPLG
D
D
M
--
D
------
K
--
N
---
R
-------
A
I
A
K
R
---
I
GY----
P
V
I
I
K
A
S
G
G
G
G
G
R
G
M
R
V
V
R
G
D
A
E
L
A
Q
S
I
S
M
T
R
A
E
A
K
A
A
F
S
N
D
M
V
Y
M
E
K
Y
L
E
N
P
R
H
V
E
I
Q
V
L
A
D
G
Q
G
N
A
I
Y
L
A
E
R
D
C
S
M
Q
R
R
H
Q
K
V
V
E
E
A
P
A
P
-
G
I
--
T
P
E
L
R
R
Y
I
G
E
R
C
A
K
A
C
V
D
I
G
Y
R
G
A
G
T
F
E
F
L
F
E
N
-----
G
E
F
Y
F
I
K
M
N
T
R
I
Q
V
E
H
P
V
T
E
M
I
T
G
V
D
L
I
K
E
Q
L
R
I
A
---
A
G
---
Q
PLS
I
K
Q
--------
E
E
--------
V
-
H
V
R
--
G
H
A
V
E
C
R
I
N
A
E
D
P
-
N
T
F
L
P
S
P
G
K
I
T
R
F
H
A
P
G
----------
G
F
G
V
R
W
E
S
H
-
I
-
Y
A
G
Y
T
V
P
P
Y
Y
D
S
M
I
G
K
L
I
C
Y
G
E
N
R
D
V
A
I
A
R
M
K
N
A
L
Q
E
L
I
I
D
G
I
K
T
N
V
D
L
Q
I
R
I
M
N
D
E
N
F
Q
H
G
G
T
N
I
H
Y
L
------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
123
HHSearch
75.19
42%
-87
- C2 -
3VA7
5
?
A:
[29-479]
-
K
P
F
E
T
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
---
H
G
RTA-
A
E
---
T
----
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
E
N
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
K
H
S
A
R
E
I
A
E
R
A
K
V
P
L------
V
-------
P
-----------------------------------------------------------------------------------------------------
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
-
N
L
P
--
E
A
T
R
A
K
M
R
A
A
S
E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
D
E
Q
R
---
D
E
F
Y
F
L
E
V
N
A
R
L
Q
V
E
H
P
I
T
E
M
V
T
G
L
D
L
V
E
W
M
L
R
I
A
--
A
N
D
---
S
---
P
D
F
--------
D
N
T
K
------
I
-
E
V
S
--
G
A
S
I
E
A
R
L
Y
A
E
N
P
V
K
D
F
R
P
S
P
G
Q
L
T
S
V
S
F
P
S
------------
W
A
R
V
D
T
W
-
V
-
K
K
G
T
N
V
S
A
E
Y
D
P
T
L
A
K
I
I
V
H
G
K
D
R
N
D
A
I
M
K
L
N
Q
A
L
N
E
T
A
V
Y
G
C
I
T
N
I
D
Y
L
R
S
I
A
S
S
K
M
F
K
E
A
K
V
A
T
K
V
L
------
D
S
---
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
73.52
40%
-88
- C2 -
3VA7
5
?
A:
[34-478]
------
V
L
I
A
N
R
G
E
I
A
V
R
I
M
K
T
L
K
R
M
G
I
K
S
V
A
V
Y
S
D
P
D
K
Y
S
Q
H
V
T
D
A
D
F
S
V
A
L
---
H
G
----
R
T
AAE
T
----
Y
L
D
I
D
K
I
I
N
A
A
K
K
T
G
A
Q
A
I
I
P
G
Y
G
F
L
S
E
N
A
D
F
S
D
R
C
S
Q
E
N
I
V
F
V
G
P
S
G
D
A
I
R
K
L
G
L
K
H
S
A
R
E
I
A
E
R
A
K
V
P
-------
L
-------
V
P----------------------------------------------------------------------------------------------------
N
A
R
H
V
E
I
Q
M
M
G
D
G
F
G
K
A
I
A
I
G
E
R
D
C
S
L
Q
R
R
N
Q
K
V
I
E
E
T
P
A
P
-
N
L
P
E
--
A
T
R
A
K
M
R
A
A
S
E
R
L
G
S
L
L
K
Y
K
C
A
G
T
V
E
F
I
Y
D
E
---
Q
R
D
E
F
Y
F
L
E
V
N
A
R
L
Q
V
E
H
P
I
T
E
M
V
T
G
L
D
L
V
E
W
M
L
R
I
A
A
N
D
S
P
---
D
---
F
D
N
--------
T
K
--------
I
-
E
V
S
--
G
A
S
I
E
A
R
L
Y
A
E
N
P
V
K
D
F
R
P
S
P
G
Q
L
T
S
V
S
F
P
------------
S
W
A
R
V
D
T
W
-
V
-
K
K
G
T
N
V
S
A
E
Y
D
P
T
L
A
K
I
I
V
H
G
K
D
R
N
D
A
I
M
K
L
N
Q
A
L
N
E
T
A
V
Y
G
C
I
T
N
I
D
Y
L
R
S
I
A
S
S
K
M
F
K
E
A
K
V
A
T
K
V
L
------
D
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------