@TOME V2.3
(Mar 2018)
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 : B0VLQ0: (2017-11-03 )
MQFVHLGIYTEFSITESIVRIPDLVKTAVKDEMPALALTDLSNLHAAVKFYNSCLKKGIKPILGSTIRLNDAQHRATLLAMSDIGWKGLTEIVSRGFIEGQQLSIPCVQKEWVLEQHQDIIVLLGQHSDVGQMLCSSNPQKAEPLLEEWIEKFGNRVYLALTRTDRPGEEDFIQEAAKLAAKYNIGVVAHNDVHFIEKEDFEAHEARVCIADGYVLADDRRPRLYSPEQYFKTSDEMIELFSDIPSAIENTYQIAKRCNVTLKLGTYFLPEYPIPDGFTIDTYFEHLSKEGLKERLNYLYPVEKRGEDWPEIRKPYDERIDYEVGIILKMGFPGYFLIVMDFIQWAKNNGVPVGPGRGSGAGSLVAYSLKITDLDPLRYDLLFERFLNPERVSMPDFDVDFCIAGRDRVIDYVSRTYGREAVSQIATFGTMAAKGAIRDVARVLGKSYGLADRISKMVPTKPLGVDLATAIEMEPQLKDIVTNPSNPDNDDASEIWEMALKLEGITRNTGKHAGGVVIAPGKITDFSAVLCDADGTNRVAQYDKDDVEAAGLVKFDFLGLRNLTVIEDAIQNINKNSDSNDPLNISHVPLDDPKAYSVFADANTTAVFQFESVGMKRMLKEARPSKFEEIIAFVSLYRPGPMDLIPDFIHRMHGGEFEYLHPLLEGVLEPTYGIMVYQEQVMQTAQICAGYTLGGADLLRRAMGKKKPEEMVKQRQIFLEGAGQKGIDESTANHIFDYMEKFAGYGFNKSHAAAYALVAYHTAWLKAHYPAEFMAAVMSSEMQNTDSVVFLIDDCRNNGLEVLPPSVNMSTYHFHASDDKTIVYGLGAIKGVGEQAMQSVIDSRRQQGPYTDLFDFCHRIDLKKINKRTLEALIRAGALDCLGIERSSLMAQLPEAVQAAEQARSNRESGIMDLFGEVEEVQRKPAKPVKPWSDEVRLKGEKDTLGLYLTGHPIDVYRQELKAFIPAKLNEITATRRGVTTVYAGLVLDVANFPNRVVIVLDDGTARIEVSCNHERFQRFKDIIQVERVVVFEGEIYEREGFDRPMGRLNKAFSLNEIRQKRANSIQIKLTHDLLQPSLAKDLQNILLPYCNVDMHQHIAIQLQIDQPYAQAELQLGPQWKVSPLDELLAKLRDYFGKDNIHIEYQVKSKAAKAAEPVRPQPVASPPVDMTIDDALDSYQSEVSQYS
Atome Classification :
(20 SA)
-----------------------------------------------------------------------------------------------------------.........10........20.....--...30..--......40........50........60..---------.....---------.---------70-----..--..---....80........90........100.......110.......120...-....130.---......140...--...--.150.......160.....---------..170......----.180.......190.......200.......210.......220.......230.......240..------.---....250.......260...---....--270..-......280.....--..290-------------.......300......--------------.--------------------------310.....---------..320.......330.......340.......350.......360.......370.....-----------------------------------------.-----------------------------------------.380.......390.......400.......410.......420.......430..-------------.....440.......450.......460-..-.......470.......480.......490.......500.......510.......520-........530--....---..---..540.......550.......560.......570.....--.--.580-........590.......600------------..--------------..--------------.....610.......620.......630....------...640.--....---..650..------..------...660---.........670.......680.......690.......700.......710...--....720.......730.......740.......750.......760.......770.......780...---------.---------...790------------------------.......800---------......----------..810......----..820.......830.......840.......850.......860.......870.......880.......890.......900.......910....--...920.......930.......940.......950.....--..960.....-..970.......980-.......----990....---.-..1000......1010......1020......1030......1040......1050-.........1060......1070......1080......1090......1100......1110......1120......1130......1140......1150......1160......1170......1180....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
-----------------------------------------------------------------------------------------------------------M
Q
F
V
H
L
G
I
Y
T
EF
S
I
T
E
S
I
V
R
I
P
D
L
V
K
--
T
A
V
KDEM--P
A
L
A
L
T
D
L
S
N
L
H
A
A
V
K
F
Y
N
S
C
L
KKG
I
K
P
I
L---------G
S
T
I
R
---------L---------ND-----A
Q
--
H
R
---
A
T
L
L
A
MSDIG
W
K
G
L
T
E
I
V
S
R
GFIEGQQLSI
P
C
V
Q
K
E
W
V
L
E
QHQ
D
I
I
V
L
LG-QHS
D
V
G
Q
M
---
L
CSSNPQ
K
A
E
P
L
--
L
E
E
--
W
I
E
K
FG
N
R
V
Y
L
A
L
TRTDRP---------
G
E
E
D
F
I
Q
E
A
A
K
----
L
A
A
KY
N
I
G
V
V
AHN
D
V
H
F
I
EKEDFEAHE
A
R
V
C
I
AD
G
Y
V
L
ADDRRPRLY
S
P
E
Q
Y
FK
T
S
D
E
M
I
E
L
F
S
D
I
------
P
---
S
A
I
E
N
T
Y
Q
I
A
K
RC
N
V
T
L
K
L
G
---
T
Y
FL--P-EYP-IPDGF
T
I
D
T
Y
F
E
H
L
--
S
K
E
G
L
-------------
K
E
R
L
N
Y
LYPVEKRGED--------------
W
--------------------------
P
E
I
RKP
Y
D
---------ERI
D
Y
E
V
G
I
I
L
KMGFP
G
Y
F
L
I
V
M
D
F
I
Q
W
A
KNNGVPVGPGRGSGA
G
S
L
V
A
Y
S
L
K
ITDL
D
P
L
-----------------------------------------
R
-----------------------------------------
Y
D
L
L
F
E
RFL
N
P
E
RVSMPDFD
V
D
F
C
IAG
R
D
R
V
I
D
Y
V
S
R
T
Y
G
R
E
A
V
S
Q
I
A
T
F
G
T
M
AAK-------------
G
A
I
R
D
V
A
R
V
L
G
KSY
G
L
A
D
R
I
S
K
MVPT---KP-LGVD
L
A
T
AIEMEP
Q
L
K
D
I
VTNPSNPDND
D
A
S
E
I
W
E
M
A
L
K
LEGITRNTGKHAG
G
V
V
IAPG--KIT
D
F
S
A
V
L
C---DADG---TN---RVAQYDKDDVEAA
G
L
V
K
F
D
FLGLR
N
L
T
V
I
E
D
A
I
Q
NINKNS--D--SND--P
L
N
ISHVPLDDPK
A
Y
S
V
F
A--------------DA--------------N
T
--------------
T
A
V
F
Q
F
E
S
V
G
M
K
R
M
L
K
E
AR
P
S
K
F
E
E
I
I
A
F
V
S
L------YRPG
P
M
D
--
L
I
P
D
---
F
I
H
R
MHG------G
E
------
F
E
Y
L
-----
H
P
L
L
E
G
V
LEPTY
G
I
M
V
Y
Q
E
Q
V
M
Q
T
A
Q
I
CAGYTL
G
G
A
D
L
L
R
R
A
MGKK
K
P
E
E
M
V
K
Q
R
--
Q
I
F
L
EGAGQKGID
E
S
T
A
N
H
I
F
D
Y
M
E
K
F
AGYGFN
K
S
H
A
A
A
Y
A
L
V
A
Y
H
T
A
W
L
KAHY
P
A
E
F
M
A
A
V
M
S
S
E
MQNT---------
D
---------
S
V
V
F
L
I
------------------------DDCRNNG
L
E
----------VLPPSV----------N
M
S
T
-
Y
H
F
HAS----DD
K
T
I
V
Y
G
L
G
A
I
K
G
V
G
E
Q
A
M
Q
S
V
I
D
S
R
RQQGPY
T
D
L
F
D
F
C
H
RI
D
L
K
K
I
N
K
R
T
L
E
A
L
I
R
AGA
L
D
C
LGI
E
R
S
S
L
M
A
Q
L
P
E
A
V
Q
A
A
E
Q
A
RSNRES
G
I
M
D
L
F
G
--
E
V
E
E
V
Q
RKPAKPVKPWSD
E
V
R
LKGEK
D
T
L
G
L
Y
L
TGH
P
I
D
V
Y
--
R
Q
E
L
K
A
F
I
P
A
-
K
L
N
E
I
T
ATRR
G
V
T
T
V
-
Y
A
G
L
V
L
D
----VANFP
N
R
---
V
-
V
I
V
LDDG
T
A
R
I
E
V
SC
N
H
E
R
F
Q
R
F
K
D
I
I
Q
V
E
R
V
V
V
FE
G
E
I
Y
EREGFD
R
P
M
G
R
L
N----KAF
S
L
N
E
I
R
Q
KRA
N
S
I
Q
I
K
L
T
H
D
LL
Q
P
S
L
A
K
D
L
Q
N
I
L
L
P
YCNVDMH
Q
H
I
A
I
Q
L
Q
IDQPYAQ
A
E
L
QLGPQWKVS
P
L
D
E
L
L
A
K
L
R
D
YFGKD
N
I
H
I
E
Y
Q
VKSKAAKAAEPVRPQPVASPPV
D
M
T
I
D
D
A
L
D
S
Y
Q
S
E
V
SQYS
25
HHSearch
71.30
55%
17
- C3 -
-
2HNH
-
DPO3A_ECOLI
A:
[4-907]
-----------------------------------------------------------------------------------------------------------
P
R
F
V
H
L
R
V
H
S
D
Y
S
M
I
D
G
L
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
F
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
---------
V
---------
Q
C
DLLGD
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
R
F
I
D
S
S
D
F
D
A
H
E
I
R
V
A
I
H
D
G
F
T
L
D
D
P
K
R
P
R
N
Y
S
P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
T
V
R
L
G
---
E
Y
F
L
--
P
-
Q
F
P
--
T
G
D
M
S
T
E
D
Y
L
V
K
R
--
A
K
E
G
L
-------------
E
E
R
L
A
F
L
F
P
---
D
E
E
E
--------------
R
--------------------------
L
K
R
R
P
E
Y
D
---------
E
R
L
E
T
E
L
Q
V
I
N
Q
M
G
F
P
G
Y
F
L
I
V
M
E
F
I
Q
W
S
K
D
N
G
V
P
V
G
P
G
R
G
S
G
A
G
S
L
V
A
Y
A
L
K
I
T
D
L
D
P
L
-----------------------------------------
E
-----------------------------------------
F
D
L
L
F
E
R
F
L
N
P
E
R
V
S
M
P
D
F
D
V
D
F
C
M
E
K
R
D
Q
V
I
E
H
V
A
D
M
Y
G
R
D
A
V
S
Q
I
I
T
F
G
T
M
A
A
K
-------------
A
V
I
R
D
V
G
R
V
L
G
H
P
Y
G
F
V
D
R
I
S
K
L
I
P
P
---
D
P
--
G
M
T
L
A
K
A
F
E
A
E
P
Q
L
P
E
I
Y
E
--
A
D
E
E
---
V
K
A
L
I
D
M
A
R
K
L
E
G
V
T
R
N
A
G
K
H
A
G
G
V
V
I
A
P
T
--
K
I
T
D
F
A
P
L
Y
C
---
D
E
E
G
---
K
H
---
P
V
T
Q
F
D
K
S
D
V
E
Y
A
G
L
V
K
F
D
F
L
G
L
R
T
L
T
I
I
N
W
A
L
E
M
I
N
K
R
R
--
A
KN
G
E
P
--
P
L
D
I
A
A
I
P
L
D
D
K
K
S
F
D
M
L
Q
--------------
R
S
--------------
E
T
--------------
T
A
V
F
Q
L
E
S
R
G
M
K
D
L
I
K
R
L
Q
P
D
C
F
E
D
M
I
A
L
V
A
L
------
F
R
P
G
P
L
Q
S
G
M
V
D
N
---
F
I
D
R
K
H
G
R-----
E
E
------
I
S
Y
P
DVQWQ
H
E
S
L
K
P
V
L
E
P
T
Y
G
I
I
L
Y
Q
E
Q
V
M
Q
I
A
Q
V
L
S
G
Y
T
L
G
G
A
D
M
L
R
R
A
M
G
K
K
K
P
E
E
M
A
K
Q
R
--
S
V
F
A
E
G
A
E
K
N
G
I
N
A
E
L
A
M
K
I
F
D
L
V
E
K
F
A
G
Y
G
F
N
K
S
H
S
A
A
Y
A
L
V
S
Y
Q
T
L
W
L
K
A
H
Y
P
A
E
F
M
A
A
V
M
T
A
D
M
D
N
T
---------
E
---------
K
V
V
G
L
V
------------------------
D
E
C
W
R
M
G
L
K
----------
I
L
P
P
D
I
----------
N
S
G
L
-
Y
H
F
H
V
N
----
D
D
G
E
I
V
Y
G
I
G
A
I
K
G
V
G
E
G
P
I
E
A
I
I
E
A
R
N
K
G
G
Y
F
R
E
L
F
D
L
C
A
R
T
D
T
K
K
L
N
R
R
V
L
E
K
L
I
M
S
G
A
F
D
R
L
G
P
H
R
A
A
L
M
N
S
L
G
D
A
L
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
71.23
54%
17
- C3 -
-
2HNH
-
DPO3A_ECOLI
A:
[5-910]
------------------------------------------------------------------------------------------------------------
R
F
V
H
L
R
V
H
S
D
Y
S
M
I
D
G
L
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
F
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
V
Q
C
DL----
L
---------
G
D
-----
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
R
F
I
D
S
S
D
F
D
A
H
E
I
R
V
A
I
H
D
G
F
T
L
D
D
P
K
R
P
R
N
Y
S
P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
T
V
R
L
G
---
E
Y
F
L
--
P
-
Q
F
P
-
T
G
D
M
S
T
E
D
-
Y
L
V
K
R
--
A
K
E
G
L
-------------
E
E
R
L
A
F
L
F
P
D
E
---
E
E
--------------
R
--------------------------
L
K
R
R
P
E
Y
D
---------
E
R
L
E
T
E
L
Q
V
I
N
Q
M
G
F
P
G
Y
F
L
I
V
M
E
F
I
Q
W
S
K
D
N
G
V
P
V
G
P
G
R
G
S
G
A
G
S
L
V
A
Y
A
L
K
I
T
D
L
D
P
L
-----------------------------------------
E
-----------------------------------------
F
D
L
L
F
E
R
F
L
N
P
E
R
V
S
M
P
D
F
D
V
D
F
C
M
E
K
R
D
Q
V
I
E
H
V
A
D
M
Y
G
R
D
A
V
S
Q
I
I
T
F
G
T
M
A
A
K
-------------
A
V
I
R
D
V
G
R
V
L
G
H
P
Y
G
F
V
D
R
I
S
K
L
I
P
P
---
D
P
--
G
M
T
L
A
K
A
F
E
A
E
P
Q
L
P
E
I
Y
E
A
-----
D
E
E
V
K
A
L
I
D
M
A
R
K
L
E
G
V
T
R
N
A
G
K
H
A
G
G
V
V
I
A
P
T
--
K
I
T
D
F
A
P
L
Y
C
---
D
E
E
G
---
K
H
---
P
V
T
Q
F
D
K
S
D
V
E
Y
A
G
L
V
K
F
D
F
L
G
L
R
T
L
T
I
I
N
W
A
L
E
M
I
N
K
R
R
--
A
--
K
N
G
EP
P
L
D
I
A
A
I
P
L
D
D
K
K
S
F
D
M
L
Q
--------------
R
S
--------------
E
T
--------------
T
A
V
F
Q
L
E
S
R
G
M
K
D
L
I
K
R
L
Q
P
D
C
F
E
D
M
I
A
L
V
A
L
------
F
R
P
G
P
L
Q
S
G
M
V
D
N
---
F
I
D
R
K
H
G
------
R
E
E
I
S
YPD
V
Q
W
Q
-----
H
E
S
L
K
P
V
L
E
P
T
Y
G
I
I
L
Y
Q
E
Q
V
M
Q
I
A
Q
V
L
S
G
Y
T
L
G
G
A
D
M
L
R
R
A
M
G
K
K
K
P
E
E
M
A
K
Q
R
--
S
V
F
A
E
G
A
E
K
N
G
I
N
A
E
L
A
M
K
I
F
D
L
V
E
K
F
A
G
Y
G
F
N
K
S
H
S
A
A
Y
A
L
V
S
Y
Q
T
L
W
L
K
A
H
Y
P
A
E
F
M
A
A
V
M
T
A
D
M
D
N
T
---------
E
---------
K
V
V
G
L
V
------------------------
D
E
C
W
R
M
G
L
K
----------
I
L
P
P
D
I
----------
N
S
G
L
-
Y
H
F
H
V
N
----
D
D
G
E
I
V
Y
G
I
G
A
I
K
G
V
G
E
G
P
I
E
A
I
I
E
A
R
N
K
G
G
Y
F
R
E
L
F
D
L
C
A
R
T
D
T
K
K
L
N
R
R
V
L
E
K
L
I
M
S
G
A
F
D
R
L
G
P
H
R
A
A
L
M
N
S
L
G
D
A
L
K
A
A
D
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
71.16
53%
15
- C3 -
-
5M1S
-
DPO3A_ECOLI
A:
[5-925]
------------------------------------------------------------------------------------------------------------
R
F
V
H
L
R
V
H
S
D
Y
S
M
I
D
G
L
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
F
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
V
Q
C
DL----
L
---------
G
D
-----
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
R
F
I
D
S
S
D
F
D
A
H
E
I
R
V
A
I
H
D
G
F
T
L
D
D
P
K
R
P
R
N
Y
S
P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
T
V
R
L
G
---
E
Y
F
L
--
P
-
Q
F
P
-
T
G
D
M
S
T
E
D
-
Y
L
V
K
R
--
A
K
E
G
L
-------------
E
E
R
L
A
F
L
F
P
D
E
---
E
E
--------------
R
--------------------------
L
K
R
R
P
E
Y
D
---------
E
R
L
E
T
E
L
Q
V
I
N
Q
M
G
F
P
G
Y
F
L
I
V
M
E
F
I
Q
W
S
K
D
N
G
V
P
V
G
P
G
R
G
S
G
A
G
S
L
V
A
Y
A
L
K
I
T
D
L
D
P
L
-----------------------------------------
E
-----------------------------------------
F
D
L
L
F
E
R
F
L
N
P
E
R
V
S
M
P
D
F
D
V
D
F
C
M
E
K
R
D
Q
V
I
E
H
V
A
D
M
Y
G
R
D
A
V
S
Q
I
I
T
F
G
T
M
A
A
K
-------------
A
V
I
R
D
V
G
R
V
L
G
H
P
Y
G
F
V
D
R
I
S
K
L
I
P
P
---
D
P
--
G
M
T
L
A
K
A
F
E
A
E
P
Q
L
P
E
I
Y
E
A
-----
D
E
E
V
K
A
L
I
D
M
A
R
K
L
E
G
V
T
R
N
A
G
K
H
A
G
G
V
V
I
A
P
T
--
K
I
T
D
F
A
P
L
Y
C
---
D
E
E
G
---
K
H
---
P
V
T
Q
F
D
K
S
D
V
E
Y
A
G
L
V
K
F
D
F
L
G
L
R
T
L
T
I
I
N
W
A
L
E
M
I
N
K
R
R
--
A
--
K
N
G
EP
P
L
D
I
A
A
I
P
L
D
D
K
K
S
F
D
M
L
Q
--------------
R
S
--------------
E
T
--------------
T
A
V
F
Q
L
E
S
R
G
M
K
D
L
I
K
R
L
Q
P
D
C
F
E
D
M
I
A
L
V
A
L
------
F
R
P
G
P
L
Q
S
G
M
V
D
N
---
F
I
D
R
K
H
G
------
R
E
E
I
S
YPD
V
Q
W
Q
-----
H
E
S
L
K
P
V
L
E
P
T
Y
G
I
I
L
Y
Q
E
Q
V
M
Q
I
A
Q
V
L
S
G
Y
T
L
G
G
A
D
M
L
R
R
A
M
G
K
K
K
P
E
E
M
A
K
Q
R
--
S
V
F
A
E
G
A
E
K
N
G
I
N
A
E
L
A
M
K
I
F
D
L
V
E
K
F
A
G
Y
G
F
N
K
S
H
S
A
A
Y
A
L
V
S
Y
Q
T
L
W
L
K
A
H
Y
P
A
E
F
M
A
A
V
M
T
A
D
M
D
N
T
---------
E
---------
K
V
V
G
L
V
------------------------
D
E
C
W
R
M
G
L
K
----------
I
L
P
P
D
I
----------
N
S
G
L
-
Y
H
F
H
V
N
----
D
D
G
E
I
V
Y
G
I
G
A
I
K
G
V
G
E
G
P
I
E
A
I
I
E
A
R
N
K
G
G
Y
F
R
E
L
F
D
L
C
A
R
T
D
T
K
K
L
N
R
R
V
L
E
K
L
I
M
S
G
A
F
D
R
L
G
P
H
R
A
A
L
M
N
S
L
G
D
A
L
K
A
A
D
Q
H
A
K
A
E
A
I
G
Q
L
D
L
F
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
70.57
54%
26
- C3 -
-
2HNH
-
DPO3A_ECOLI
A:
[1-910]
--------------------------------------------------------------------------------------------------------MSE
P
R
F
V
H
L
R
V
H
S
D
Y
S
M
I
D
G
L
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
F
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
---------
V
Q
C
DLL----
G
D
-----
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
R
F
I
D
S
S
D
F
D
A
H
E
I
R
V
A
I
H
D
G
F
T
L
D
D
P
K
R
P
R
N
Y
S
P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
T
V
R
L
G
---
E
Y
F
L
--
P
-
Q
F
P
-
T
G
D
M
-
S
T
E
D
Y
L
V
K
R
--
A
K
E
G
L
-------------
E
E
R
L
A
F
L
F
P
---
D
E
E
E
--------------
R
--------------------------
L
K
R
R
P
E
Y
D
---------
E
R
L
E
T
E
L
Q
V
I
N
Q
M
G
F
P
G
Y
F
L
I
V
M
E
F
I
Q
W
S
K
D
N
G
V
P
V
G
P
G
R
G
S
G
A
G
S
L
V
A
Y
A
L
K
I
T
D
L
D
P
L
-----------------------------------------
E
-----------------------------------------
F
D
L
L
F
E
R
F
L
N
P
E
R
V
S
M
P
D
F
D
V
D
F
C
M
E
K
R
D
Q
V
I
E
H
V
A
D
M
Y
G
R
D
A
V
S
Q
I
I
T
F
G
T
M
A
A
K
-------------
A
V
I
R
D
V
G
R
V
L
G
H
P
Y
G
F
V
D
R
I
S
K
L
I
P
P
----
D
-
P
G
M
T
L
A
K
A
F
E
A
E
P
Q
L
P
E
I
Y
E
A
-----
D
E
E
V
K
A
L
I
D
M
A
R
K
L
E
G
V
T
R
N
A
G
K
H
A
G
G
V
V
I
A
P
T
--
K
I
T
D
F
A
P
L
Y
C
---
D
E
E
G
---
K
H
---
P
V
T
Q
F
D
K
S
D
V
E
Y
A
G
L
V
K
F
D
F
L
G
L
R
T
L
T
I
I
N
W
A
L
E
M
I
N
K
R
R
AK
N
--
G
E
P
--
P
L
D
I
A
A
I
P
L
D
D
K
K
S
F
D
M
L
Q
--------------
R
S
--------------
E
T
--------------
T
A
V
F
Q
L
E
S
R
G
M
K
D
L
I
K
R
L
Q
P
D
C
F
E
D
M
I
A
L
V
A
L
------
F
R
P
G
P
L
Q
S
G
M
V
D
N
---
F
I
D
R
K
H
G
------
R
E
E
I
S
YPD
V
Q
W
Q
-----
H
E
S
L
K
P
V
L
E
P
T
Y
G
I
I
L
Y
Q
E
Q
V
M
Q
I
A
Q
V
L
S
G
Y
T
L
G
G
A
D
M
L
R
R
A
M
G
K
K
K
P
E
E
M
A
K
Q
R
--
S
V
F
A
E
G
A
E
K
N
G
I
N
A
E
L
A
M
K
I
F
D
L
V
E
K
F
A
G
Y
G
F
N
K
S
H
S
A
A
Y
A
L
V
S
Y
Q
T
L
W
L
K
A
H
Y
P
A
E
F
M
A
A
V
M
T
A
D
M
D
N
T
---------
E
---------
K
V
V
G
L
V
------------------------
D
E
C
W
R
M
G
L
K
----------
I
L
P
P
D
I
----------
N
S
G
L
-
Y
H
F
H
V
N
----
D
D
G
E
I
V
Y
G
I
G
A
I
K
G
V
G
E
G
P
I
E
A
I
I
E
A
R
N
K
G
G
Y
F
R
E
L
F
D
L
C
A
R
T
D
T
K
K
L
N
R
R
V
L
E
K
L
I
M
S
G
A
F
D
R
L
G
P
H
R
A
A
L
M
N
S
L
G
D
A
L
K
A
A
D
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
70.48
54%
19
- C3 -
-
4JOM
1
DPO3A_ECOLI
A:
[6-912]
------------------------------------------------------------------------------------------------------------
R
F
V
H
L
H
V
H
S
D
Y
S
M
I
D
G
L
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
H
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
V
Q
C
DL----
L
---------
G
D
-----
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
H
F
I
D
S
S
D
F
D
A
H
E
I
R
V
A
I
H
D
G
F
T
L
D
D
P
K
R
P
R
N
Y
S
P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
T
V
R
L
G
---
E
Y
F
L
--
P
-
Q
F
P
-
T
G
D
M
S
T
E
D
-
Y
L
V
K
R
--
A
K
E
G
L
-------------
E
E
R
L
A
F
L
F
P
D
E
---
E
E
--------------
R
--------------------------
L
K
R
R
P
E
Y
D
---------
E
R
L
E
T
E
L
Q
V
I
N
Q
M
G
F
P
G
Y
F
L
I
V
M
E
F
I
Q
W
S
K
D
N
G
V
P
V
G
P
G
R
G
S
G
A
G
S
L
V
A
Y
A
L
K
I
T
D
L
D
P
L
-----------------------------------------
E
-----------------------------------------
F
D
L
L
F
E
R
F
L
N
P
E
R
V
S
M
P
D
F
D
V
D
F
C
M
E
K
R
D
Q
V
I
E
H
V
A
D
M
Y
G
R
D
A
V
S
Q
I
I
T
F
G
T
M
A
A
K
-------------
A
V
I
R
D
V
G
R
V
L
G
H
P
Y
G
F
V
D
R
I
S
K
L
I
P
P
---
D
P
--
G
M
T
L
A
K
A
F
E
A
E
P
Q
L
P
E
I
Y
E
A
-----
D
E
E
V
K
A
L
I
D
M
A
R
K
L
E
G
V
T
R
N
A
G
K
H
A
G
G
V
V
I
A
P
T
--
K
I
T
D
F
A
P
L
Y
C
---
D
E
E
G
---
K
H
---
P
V
T
Q
F
D
K
S
D
V
E
Y
A
G
L
V
K
F
D
F
L
G
L
R
T
L
T
I
I
N
W
A
L
E
M
I
N
K
R
R
--
A
--
K
N
G
EP
P
L
D
I
A
A
I
P
L
D
D
K
K
S
F
D
M
L
Q
--------------
R
S
--------------
E
T
--------------
T
A
V
F
Q
L
E
S
R
G
M
K
D
L
I
K
R
L
Q
P
D
C
F
E
D
M
I
A
L
V
A
L
------
F
R
P
G
P
L
Q
S
G
M
V
D
N
---
F
I
D
R
K
H
G
------
R
E
EISYPD
V
Q
W
Q
-----
H
E
S
L
K
P
V
L
E
P
T
Y
G
I
I
L
Y
Q
E
Q
V
M
Q
I
A
Q
V
L
S
G
Y
T
L
G
G
A
D
M
L
R
R
A
M
G
K
K
K
P
E
E
M
A
K
Q
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--
S
V
F
A
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G
A
E
K
N
G
I
N
A
E
L
A
M
K
I
F
D
L
V
E
K
F
A
G
Y
G
F
N
K
S
H
S
A
A
Y
A
L
V
S
Y
Q
T
L
W
L
K
A
H
Y
P
A
E
F
M
A
A
V
M
T
A
D
M
D
N
T
---------
E
---------
K
V
V
G
L
V
------------------------
D
E
C
W
R
M
G
L
K
----------
I
L
P
P
D
I
----------
N
S
G
L
-
Y
H
F
H
V
N
----
D
D
G
E
I
V
Y
G
I
G
A
I
K
G
V
G
E
G
P
I
E
A
I
I
E
A
R
N
K
G
G
Y
F
R
E
L
F
D
L
C
A
R
T
D
T
K
K
L
N
R
R
V
L
E
K
L
I
M
S
G
A
F
D
R
L
G
P
H
R
A
A
L
M
N
S
L
G
D
A
L
K
A
A
D
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
70.08
52%
19
- C3 -
-
2HQA
-
DPO3A_ECOLI
A:
[5-911]
------------------------------------------------------------------------------------------------------------
R
F
V
H
L
R
V
H
S
D
Y
S
M
I
D
G
L
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
F
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
V
Q
C
DL----
L
---------
G
D
-----
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
R
F
I
D
S
S
D
F
D
A
H
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V
A
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D
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L
D
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P
K
R
P
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N
Y
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P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
T
V
R
L
G
---
E
Y
F
L
--
P
-
Q
F
P
-
T
G
D
M
S
T
E
D
-
Y
L
V
K
R
--
A
K
E
G
L
-------------
E
E
R
L
A
F
L
F
P
D
E
---
E
E
--------------
R
--------------------------
L
K
R
R
P
E
Y
D
---------
E
R
L
E
T
E
L
Q
V
I
N
Q
M
G
F
P
G
Y
F
L
I
V
M
E
F
I
Q
W
S
K
D
N
G
V
P
V
G
P
G
R
G
S
G
A
G
S
L
V
A
Y
A
L
K
I
T
D
L
D
P
L
-----------------------------------------
E
-----------------------------------------
F
D
L
L
F
E
R
F
L
N
P
E
R
V
S
M
P
D
F
D
V
D
F
C
M
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K
R
D
Q
V
I
E
H
V
A
D
M
Y
G
R
D
A
V
S
Q
I
I
T
F
G
T
M
A
A
K
-------------
A
V
I
R
D
V
G
R
V
L
G
H
P
Y
G
F
V
D
R
I
S
K
L
I
P
P
---
D
P
--
G
M
T
L
A
K
A
F
E
A
E
P
Q
L
P
E
I
Y
E
A
-----
D
E
E
V
K
A
L
I
D
M
A
R
K
L
E
G
V
T
R
N
A
G
K
H
A
G
G
V
V
I
A
P
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--
K
I
T
D
F
A
P
L
Y
C
---
D
E
E
G
---
K
H
---
P
V
T
Q
F
D
K
S
D
V
E
Y
A
G
L
V
K
F
D
F
L
G
L
R
T
L
T
I
I
N
W
A
L
E
M
I
N
K
R
R
--
A
--
K
N
G
EP
P
L
D
I
A
A
I
P
L
D
D
K
K
S
F
D
M
L
Q
--------------
R
S
--------------
E
T
--------------
T
A
V
F
Q
L
E
S
R
G
M
K
D
L
I
K
R
L
Q
P
D
C
F
E
D
M
I
A
L
V
A
L
------
F
R
P
G
P
L
Q
S
G
M
V
D
N
---
F
I
D
R
K
H
G
------
R
E
E
I
S
YPD
V
Q
W
Q
-----
H
E
S
L
K
P
V
L
E
P
T
Y
G
I
I
L
Y
Q
E
Q
V
M
Q
I
A
Q
V
L
S
G
Y
T
L
G
G
A
D
M
L
R
R
A
M
G
K
K
K
P
E
E
M
A
K
Q
R
--
S
V
F
A
E
G
A
E
K
N
G
I
N
A
E
L
A
M
K
I
F
D
L
V
E
K
F
A
G
Y
G
F
N
K
S
H
S
A
A
Y
A
L
V
S
Y
Q
T
L
W
L
K
A
H
Y
P
A
E
F
M
A
A
V
M
T
A
D
M
D
N
T
---------
E
---------
K
V
V
G
L
V
------------------------
D
E
C
W
R
M
G
L
K
----------
I
L
P
P
D
I
----------
N
S
G
L
-
Y
H
F
H
V
N
----
D
D
G
E
I
V
Y
G
I
G
A
I
K
G
V
G
E
G
P
I
E
A
I
I
E
A
R
N
K
G
G
Y
F
R
E
L
F
D
L
C
A
R
T
D
T
K
K
L
N
R
R
V
L
E
K
L
I
M
S
G
A
F
D
R
L
G
P
H
R
A
A
L
M
N
S
L
G
D
A
L
K
A
A
D
Q
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
69.04
48%
22
- C3 -
-
5FKW
-
DPO3A_ECOLI
A:
[5-927]
------------------------------------------------------------------------------------------------------------
R
F
V
H
L
R
V
H
S
D
Y
S
M
I
D
G
L
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
F
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
V
Q
C
DL----
L
---------
G
D
-----
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
R
F
I
D
S
S
D
F
D
A
H
E
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R
V
A
I
H
D
G
F
T
L
D
D
P
K
R
P
R
N
Y
S
P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
T
V
R
L
G
---
E
Y
F
L
--
P
-
Q
F
P
-
T
G
D
M
S
T
E
D
-
Y
L
V
K
R
--
A
K
E
G
L
-------------
E
E
R
L
A
F
L
F
P
D
E
---
E
E
--------------
R
--------------------------
L
K
R
R
P
E
Y
D
---------
E
R
L
E
T
E
L
Q
V
I
N
Q
M
G
F
P
G
Y
F
L
I
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M
E
F
I
Q
W
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K
D
N
G
V
P
V
G
P
G
R
G
S
G
A
G
S
L
V
A
Y
A
L
K
I
T
D
L
D
P
L
-----------------------------------------
E
-----------------------------------------
F
D
L
L
F
E
R
F
L
N
P
E
R
V
S
M
P
D
F
D
V
D
F
C
M
E
K
R
D
Q
V
I
E
H
V
A
D
M
Y
G
R
D
A
V
S
Q
I
I
T
F
G
T
M
A
A
K
-------------
A
V
I
R
D
V
G
R
V
L
G
H
P
Y
G
F
V
D
R
I
S
K
L
I
P
P
---
D
P
--
G
M
T
L
A
K
A
F
E
A
E
P
Q
L
P
E
I
Y
E
A
-----
D
E
E
V
K
A
L
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D
M
A
R
K
L
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A
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A
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G
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V
I
A
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--
K
I
T
D
F
A
P
L
Y
C
---
D
E
E
G
---
K
H
---
P
V
T
Q
F
D
K
S
D
V
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Y
A
G
L
V
K
F
D
F
L
G
L
R
T
L
T
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W
A
L
E
M
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N
K
R
R
--
A
--
K
N
G
EP
P
L
D
I
A
A
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P
L
D
D
K
K
S
F
D
M
L
Q
--------------
R
S
--------------
E
T
--------------
T
A
V
F
Q
L
E
S
R
G
M
K
D
L
I
K
R
L
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C
F
E
D
M
I
A
L
V
A
L
------
F
R
P
G
P
L
Q
S
G
M
V
D
N
---
F
I
D
R
K
H
G
------
R
E
E
I
S
YPD
V
Q
W
Q
-----
H
E
S
L
K
P
V
L
E
P
T
Y
G
I
I
L
Y
Q
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A
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T
L
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G
A
D
M
L
R
R
A
M
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K
K
K
P
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M
A
K
Q
R
--
S
V
F
A
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G
A
E
K
N
G
I
N
A
E
L
A
M
K
I
F
D
L
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K
F
A
G
Y
G
F
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K
S
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A
A
Y
A
L
V
S
Y
Q
T
L
W
L
K
A
H
Y
P
A
E
F
M
A
A
V
M
T
A
D
M
D
N
T
---------
E
---------
K
V
V
G
L
V
------------------------
D
E
C
W
R
M
G
L
K
----------
I
L
P
P
D
I
----------
N
S
G
L
-
Y
H
F
H
V
N
----
D
D
G
E
I
V
Y
G
I
G
A
I
K
G
V
G
E
G
P
I
E
A
I
I
E
A
R
N
K
G
G
Y
F
R
E
L
F
D
L
C
A
R
T
D
T
K
K
L
N
R
R
V
L
E
K
L
I
M
S
G
A
F
D
R
L
G
P
H
R
A
A
L
M
N
S
L
G
D
A
L
K
A
A
D
Q
H
A
K
A
E
A
I
G
Q
L
D
L
F
G
VL-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
65.95
39%
22
- C3 -
-
4IQJ
2
DPO3A_THEAQ
D:
[5-1084]
-----------------------------------------------------------------------------------------------------------
L
K
F
A
H
L
H
Q
H
T
Q
F
S
L
L
D
G
A
A
K
L
Q
D
L
L
K
W
V
K
E
T
T
P
E
D
--
P
A
L
A
M
T
D
H
G
N
L
F
G
A
V
E
F
Y
K
K
A
T
A
M
G
V
K
P
I
I
---------
G
Y
E
A
Y
VAAESRFDR-----------------
G
Y
--
F
H
---
L
T
L
L
A
K
D
F
T
G
Y
Q
N
L
V
R
L
A
S
R
A
Y
L
E
G
F
-
Y
E
K
P
R
I
D
R
E
I
L
R
E
H
A
Q
G
L
I
A
L
S
G
C
L
G
A
E
I
P
Q
F
---
I
L
Q
D
R
L
D
L
A
E
A
R
--
L
N
E
--
D
L
S
I
F
G
D
R
F
F
I
E
I
Q
N
H
G
L
P
---------
E
Q
K
K
V
N
Q
V
L
K
E
----
F
A
R
K
Y
G
L
G
M
V
A
T
N
D
G
H
Y
V
R
K
E
D
A
R
A
H
E
V
L
L
A
I
Q
S
K
T
T
L
D
D
P
E
R
W
R
F
P
C
D
E
F
Y
V
K
T
P
E
E
M
R
A
M
L
P
E
A
------
E
WGD
E
P
F
D
N
T
V
E
I
A
R
M
C
D
V
D
L
P
I
G
D
K
M
V
Y
R
I
--
P
-
R
F
P
-
L
P
E
G
R
T
E
A
Q
Y
L
R
E
L
--
T
F
L
G
L
L
R
R
Y
PDRIT
E
A
F
Y
R
E
V
L
R
L
L
-------
D
E
R
A
L
A
E
A
L
A
R
VE
E
K
A
W
--------------------------
E
E
L
R
K
---REWT
A
E
A
I
L
H
R
A
L
Y
E
L
S
V
I
E
R
M
G
F
P
G
Y
F
L
I
V
Q
D
Y
I
N
W
A
R
G
H
G
V
S
V
G
P
G
R
G
S
A
A
G
S
L
V
A
Y
A
V
G
I
T
N
I
D
P
L
-----------------------------------------
R
-----------------------------------------
F
G
L
L
F
E
R
F
L
N
P
E
R
V
S
M
P
D
I
D
T
D
F
S
D
R
E
R
D
R
V
I
Q
Y
V
R
E
R
Y
G
E
D
K
V
A
Q
I
G
T
F
G
S
L
A
S
K
-------------
A
A
L
K
D
V
A
R
V
Y
G
I
P
H
K
K
A
E
E
L
A
K
L
I
P
V
QFG
K
P
---
K
P
L
Q
E
A
I
Q
V
V
P
E
L
R
A
E
M
E
K
-----
D
E
R
I
R
Q
V
I
E
V
A
M
R
L
E
G
L
N
R
H
A
S
V
H
A
A
G
V
V
I
A
A
E
--
P
L
T
D
L
V
P
L
M
R
---
D
Q
E
G
---
R
P
----
V
T
Q
Y
D
M
G
A
V
E
A
L
G
L
L
K
M
D
F
L
G
L
R
T
L
T
F
L
D
E
A
-
R
R
I
V
K
E
S
--
K
--
G
V
E
---
L
D
Y
D
R
L
P
L
D
D
P
K
T
F
E
L
L
S
--------------
R
G
--------------
E
T
--------------
K
G
V
F
Q
L
E
S
G
G
M
T
A
T
V
R
G
L
K
P
R
R
L
E
D
I
I
A
L
V
S
L
------
Y
R
P
G
P
M
E
--
H
I
P
T
---
Y
I
R
R
H
H
G
QEPVSY
A
E
------
F
P
H
A
-----
E
K
Y
L
R
P
I
L
D
E
T
Y
G
I
P
V
Y
Q
E
Q
I
M
Q
I
A
S
Q
V
A
G
Y
S
L
G
E
A
D
L
L
R
R
A
M
G
K
K
R
V
E
E
M
Q
K
H
R
--
E
R
F
V
R
G
A
K
E
R
G
V
P
E
E
E
A
N
R
L
F
D
M
L
E
A
F
A
N
Y
G
F
N
K
S
H
A
A
A
Y
S
L
L
S
Y
Q
T
A
Y
V
K
A
H
Y
P
V
E
F
M
A
A
L
L
S
V
E
R
H
D
S
---------
D
---------
K
V
A
E
Y
I
------------------------
R
D
A
R
A
L
G
I
P
----------
V
L
P
P
D
V
----------
N
R
S
G
-
F
D
F
K
V
V
----
G
E
E
-
I
L
F
G
L
S
A
V
K
N
V
G
E
M
A
A
R
A
I
L
E
E
R
E
R
G
G
P
F
K
S
L
G
D
F
L
K
R
L
P
E
Q
V
V
N
K
R
A
L
E
S
L
V
K
A
G
A
L
D
A
F
G
-
D
R
A
R
L
L
A
S
L
E
P
L
L
R
W
A
A
E
T
R
E
R
G
R
S
G
L
V
G
L
F
A
--
E
V
E
E
---
P
P
L
V
E
A
S
P
L
D
E
I
T
M
L
R
Y
E
K
E
A
L
G
I
Y
V
S
G
H
P
V
L
R
Y
P
G
L
R
E
V
A
S
C
T
I
E
-
E
L
S
E
F
V
R
E
L
P
G
K
P
K
V
L
L
S
G
M
V
E
E
----
V
V
R
K
P
T
R
M
M
-
A
-
R
F
T
L
S
D
E
T
G
A
L
E
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
65.82
39%
16
- C3 -
-
4IQJ
2
DPO3A_THEAQ
B:
[5-1084]
-----------------------------------------------------------------------------------------------------------
L
K
F
A
H
L
H
Q
H
T
Q
F
S
L
L
D
G
A
A
K
L
Q
D
L
L
K
W
V
K
E
T
T
P
E
D
--
P
A
L
A
M
T
D
H
G
N
L
F
G
A
V
E
F
Y
K
K
A
T
A
M
G
V
K
P
I
I
---------
G
Y
E
A
Y
VAAESRFDR-----------------
G
Y
--
F
H
---
L
T
L
L
A
K
D
F
T
G
Y
Q
N
L
V
R
L
A
S
R
A
Y
L
E
G
F
-
Y
E
K
P
R
I
D
R
E
I
L
R
E
H
A
Q
G
L
I
A
L
S
G
C
L
G
A
E
I
P
Q
F
---
I
L
Q
D
R
L
D
L
A
E
A
R
--
L
N
E
--
D
L
S
I
F
G
D
R
F
F
I
E
I
Q
N
H
G
L
P
---------
E
Q
K
K
V
N
Q
V
L
K
E
----
F
A
R
K
Y
G
L
G
M
V
A
T
N
D
G
H
Y
V
R
K
E
D
A
R
A
H
E
V
L
L
A
I
Q
S
K
T
T
L
D
D
P
E
R
W
R
F
P
C
D
E
F
Y
V
K
T
P
E
E
M
R
A
M
L
P
E
A
------
E
WGD
E
P
F
D
N
T
V
E
I
A
R
M
C
D
V
D
L
P
I
G
D
K
M
V
Y
R
I
--
P
-
R
F
P
-
L
P
E
G
R
T
E
A
Q
Y
L
R
E
L
--
T
F
L
G
L
L
R
R
Y
PDRIT
E
A
F
Y
R
E
V
L
R
L
L
-------
D
E
R
A
L
A
E
A
L
A
R
V
E
E
K
A
W
--------------------------
E
E
L
R
----EWT
A
E
A
I
L
-
H
R
A
L
Y
E
L
S
V
I
E
R
M
G
F
P
G
Y
F
L
I
V
Q
D
Y
I
N
W
A
R
G
H
G
V
S
V
G
P
G
R
G
S
A
A
G
S
L
V
A
Y
A
V
G
I
T
N
I
D
P
L
-----------------------------------------
R
-----------------------------------------
F
G
L
L
F
E
R
F
L
N
P
E
R
V
S
M
P
D
I
D
T
D
F
S
D
R
E
R
D
R
V
I
Q
Y
V
R
E
R
Y
G
E
D
K
V
A
Q
I
G
T
----
A
S
K
-------------
A
A
L
K
D
V
A
R
V
--
I
P
H
K
K
A
E
E
L
A
K
L
I
P
-----
P
---
K
P
L
Q
E
A
-----
E
L
R
A
E
M
E
K
-----
D
E
R
I
R
Q
V
I
E
V
A
M
R
L
E
G
L
N
R
H
A
S
V
H
A
A
G
V
V
I
A
A
E
--
P
L
T
D
L
V
P
L
M
R
---
D
Q
E
G
---
R
P
----
V
T
Q
Y
D
M
G
A
V
E
A
L
G
L
L
K
M
D
F
L
G
L
R
T
L
T
F
L
D
E
A
-
R
R
I
V
K
E
S
--
K
--
G
V
E
---
L
D
Y
D
R
L
P
L
D
D
P
K
T
F
E
L
L
S
--------------
R
G
--------------
E
T
--------------
K
G
V
F
Q
L
E
S
G
G
M
T
A
T
V
R
G
L
K
P
R
R
L
E
D
I
I
A
L
V
S
L
------
Y
R
P
G
P
M
E
--
H
I
P
T
---
Y
I
R
R
H
H
G
QEPVSY
A
E
------
F
P
H
A
-----
E
K
Y
L
R
P
I
L
D
E
T
Y
G
I
P
V
Y
Q
E
Q
I
M
Q
I
A
S
Q
V
A
G
Y
S
L
G
E
A
D
L
L
R
R
A
M
G
K
K
R
V
E
E
M
Q
K
H
R
--
E
R
F
V
R
G
A
K
E
R
G
V
P
E
E
E
A
N
R
L
F
D
M
L
E
A
F
A
N
Y
G
F
N
K
S
H
A
A
A
Y
S
L
L
S
Y
Q
T
A
Y
V
K
A
H
Y
P
V
E
F
M
A
A
L
L
S
V
E
R
H
D
S
---------
D
---------
K
V
A
E
Y
I
------------------------
R
D
A
R
A
L
G
I
P
----------
V
L
P
P
D
V
----------
N
R
S
G
-
F
D
F
K
V
V
----
G
E
E
-
I
L
F
G
L
S
A
V
K
N
V
G
E
M
A
A
R
A
I
L
E
E
R
E
R
G
G
P
F
K
S
L
G
D
F
L
K
R
L
P
E
Q
V
V
N
K
R
A
L
E
S
L
V
K
A
G
A
L
D
A
F
G
-
D
R
A
R
L
L
A
S
L
E
P
L
L
R
W
A
A
E
T
R
E
R
G
R
S
G
L
V
G
L
F
A
--
E
V
E
E
---
P
P
L
V
E
A
S
P
L
D
E
I
T
M
L
R
Y
E
K
E
A
L
G
I
Y
V
S
G
H
P
V
L
R
Y
P
G
L
R
E
V
A
S
C
T
I
E
-
E
L
S
E
F
V
R
E
L
P
G
K
P
K
V
L
L
S
G
M
V
E
E
----
V
V
R
K
P
T
-G
M
M
A
-
R
F
T
L
S
D
E
T
G
A
L
E
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
65.78
48%
18
- C3 -
-
5FKU
-
DPO3A_ECOLI
A:
[5-1159]
------------------------------------------------------------------------------------------------------------
R
F
V
H
L
R
V
H
S
D
Y
S
M
I
D
G
L
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
F
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
V
Q
C
DL----
L
---------
G
D
-----
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
R
F
I
D
S
S
D
F
D
A
H
E
I
R
V
A
I
H
D
G
F
T
L
D
D
P
K
R
P
R
N
Y
S
P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
T
V
R
L
G
---
E
Y
F
L
--
P
-
Q
F
P
-
T
G
D
M
S
T
E
D
-
Y
L
V
K
R
--
A
K
E
G
L
-------------
E
E
R
L
A
F
L
F
P
D
E
---
E
E
--------------
R
--------------------------
L
K
R
R
P
E
Y
D
---------
E
R
L
E
T
E
L
Q
V
I
N
Q
M
G
F
P
G
Y
F
L
I
V
M
E
F
I
Q
W
S
K
D
N
G
V
P
V
G
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G
R
G
S
G
A
G
S
L
V
A
Y
A
L
K
I
T
D
L
D
P
L
-----------------------------------------
E
-----------------------------------------
F
D
L
L
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L
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G
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F
G
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M
A
A
K
-------------
A
V
I
R
D
V
G
R
V
L
G
H
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Y
G
F
V
D
R
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L
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---
D
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--
G
M
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L
A
K
A
F
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A
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P
Q
L
P
E
I
Y
E
A
-----
D
E
E
V
K
A
L
I
D
M
A
R
K
L
E
G
V
T
R
N
A
G
K
H
A
G
G
V
V
I
A
P
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--
K
I
T
D
F
A
P
L
Y
C
---
D
E
E
G
---
K
H
---
P
V
T
Q
F
D
K
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D
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E
Y
A
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L
V
K
F
D
F
L
G
L
R
T
L
T
I
I
N
W
A
L
E
M
I
N
K
R
R
--
A
--
K
N
G
EP
P
L
D
I
A
A
I
P
L
D
D
K
K
S
F
D
M
L
Q
--------------
R
S
--------------
E
T
--------------
T
A
V
F
Q
L
E
S
R
G
M
K
D
L
I
K
R
L
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M
I
A
L
V
A
L
------
F
R
P
G
P
L
Q
S
G
M
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D
N
---
F
I
D
R
K
H
G
------
R
E
E
I
S
YPD
V
Q
W
Q
-----
H
E
S
L
K
P
V
L
E
P
T
Y
G
I
I
L
Y
Q
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Q
V
M
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A
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L
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G
A
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M
L
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R
A
M
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K
K
K
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A
K
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--
S
V
F
A
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A
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K
N
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L
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A
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M
A
A
V
M
T
A
D
M
D
N
T
---------
E
---------
K
V
V
G
L
V
------------------------
D
E
C
W
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M
G
L
K
----------
I
L
P
P
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----------
N
S
G
L
-
Y
H
F
H
V
N
----
D
D
G
E
I
V
Y
G
I
G
A
I
K
G
V
G
E
G
P
I
E
A
I
I
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A
R
N
K
G
G
Y
F
R
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L
F
D
L
C
A
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K
K
L
N
R
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L
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L
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S
L
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L
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A
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A
K
A
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A
I
G
Q
L
D
L
F
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V---------
Y
A
S
-
C
Q
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A
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---
I
G
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D
D
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A
L
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K
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Q
Q
L
L
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I
L
I
V
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----
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F
D
D
F
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----
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L
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G
L
I
G
S
E
Q
V
E
L
E
F
------------------------------------------
47
Fugue
57.39
38%
23
- C3 -
-
3E0D
1
DPO3A_THEAQ
A:
[5-1205]
-----------------------------------------------------------------------------------------------------------
L
K
F
A
H
L
H
Q
H
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L
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A
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---------
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---------
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AAESRFDRK
R
G
-----
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--
F
H
---
L
T
L
L
A
K
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Y
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L
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---
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L
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--
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--
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D
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N
H
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L
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---------
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K
K
V
N
Q
V
L
K
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----
F
A
R
K
Y
G
L
G
M
V
A
T
N
N
G
H
Y
V
R
K
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L
L
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A
M
L
P
E
A
------
E
WGD
E
P
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N
T
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E
I
A
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M
C
D
V
D
L
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---
D
K
M
V
--
Y
-
R
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--
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L
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L
-------------
L
R
R
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A
F
Y
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V
--------------
L
R
L
LD
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---------
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A
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V
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V
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R
G
S
A
A
G
S
L
V
A
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A
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I
T
N
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P
L
-----------------------------------------
R
-----------------------------------------
F
G
L
L
F
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F
L
N
P
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V
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M
P
D
I
D
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D
F
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D
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R
D
R
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V
R
E
R
Y
G
E
D
K
V
A
Q
I
G
T
F
G
S
L
A
S
K
-------------
A
A
L
K
D
V
A
R
V
Y
G
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K
K
A
E
E
L
A
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L
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---
Q
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F
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P
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L
R
A
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M
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K
-----
D
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A
M
R
L
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L
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H
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--
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L
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L
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---
D
Q
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----
R
---
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L
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L
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T
L
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L
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A
R
R
I
V
K
E
S
K
------
G
V
--
E
L
D
Y
D
R
L
P
L
D
D
P
K
T
F
E
L
L
S
--------------
R
G
--------------
E
T
--------------
K
G
V
F
Q
L
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G
G
M
T
A
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L
------
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--
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T
---
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R
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A
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------
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A
-----
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Y
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L
L
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---------
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R
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A
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----------
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L
P
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----------
N
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-
F
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V
----
G
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-
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L
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A
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A
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L
L
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L
L
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A
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L
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G
L
F
A
--
E
V
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---
P
P
L
V
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A
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P
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M
L
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Y
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---
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----
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----
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G
M
V
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E
---
V
-
R
F
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A
L
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V
-------------
V
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L
L
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L
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---------
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----
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L
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L
L
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A
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G
Y
R
A
Y
L
V
P
D
R
E
V
F
------------------------------------------
26
HHSearch
49.56
26%
6
- C3 -
-
3F2B
3
?
A:
[115-1030]
------------------------------------------------------------------------------------------------------------
K
R
V
E
L
H
L
H
T
P
M
S
Q
M
D
A
V
T
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V
T
K
L
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--
Q
A
K
K
W
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--
P
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V
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F
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A
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---------
G
L
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A
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---------
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---------
V
D
D-----
P
--
F
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---
V
T
L
L
A
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L
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R
V
P
R
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V
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H
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D
G
L
L
V
G
S
G
C
D
K
G
E
L
F
D
N
-----------
V
E
D
--------
I
A
R
F
Y
---
D
F
L
E
V
H
P
P
D
V
Y
KPLYVKD
E
E
M
I
K
N
I
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A
----
L
G
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L
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K
I
L
I
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Q
G
G
A
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P
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--
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--
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A
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---
I
V
V
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L
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D
-
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--
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A
D
E
E
I
R
E
M
--
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Y
R
R
A
-------------
K
E
I
Y
G
D
----------------------------------------------------
P
L
P
K
L
V
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---------
E
R
L
E
K
E
L
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H
G
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A
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T
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I
T
E
V
N
P
L
-----------------------------------------
P
P
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Y
V
C
PNCK
H
S
E
F
F
NDGSVGSGFDLPDKNCPRCG
T
K
Y
K
K
D
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D
I
P
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L
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F
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A
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I
G
T
V
A
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-------------
T
A
Y
G
F
V
K
A
Y
A
-----------
S
D
H
N
----------------------
L
-
E
L
------
R
---
G
A
E
I
D
R
L
A
A
G
C
T
G
V
K
R
T
T
G
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G
G
I
I
V
V
P
D
YM
E
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Y
D
F
T
P
I
Q
Y
---
P
A
D
D
TSS
E
W
---
R
T
T
H
F
D
F
H
S
I
H
D
-
N
L
L
K
L
D
I
L
G
H
D
D
P
T
V
I
R
M
L
Q
D
L
S
G
--------------
I
D
P
K
T
I
P
T
D
D
P
D
V
M
G
I
F
S
--------------
S
T
EPLGVTPEQIMCNV
G
T
--------------
I
G
I
P
E
F
G
T
R
F
V
R
Q
M
L
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E
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K
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L
V
Q
I
S
G
L
------
S
H
G
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D
V
W
LG
N
A
Q
E
---
L
I
Q
N
G
-------------------------
T
C
T
L
S
E
V
I
G
C
R
D
D
I
M
V
Y
L
--------
I
Y
R
G
L
E
P
S
L
A
F
K
I
M
E
S
V
R
K
G
K
G
-----
L
T
--
P
E
F
E
A
E
M
R
K
H
D
V
P
E
W
Y
I
D
S
C
-----
K
K
I
K
Y
M
F
P
K
A
H
A
A
A
Y
V
L
M
A
V
R
I
A
Y
F
K
V
H
H
P
L
L
Y
Y
A
S
Y
F
T
V
R
A
E
D
F
D
L
D
A
M
I
K
G
S
A
---------
A
I
R
K
R
I
E
E
I
N
A
K
GIQAT
A
K
E
K
S
L
L
T
V
L
E
V
A
L
E
M
C
E
R
G
F
S
----------
F
K
N
I
D
L
----------
Y
R
S
Q
A
T
E
F
V
I
D
----
G
-
N
S
L
I
P
P
F
N
A
I
P
G
L
G
T
N
V
A
Q
A
I
V
R
A
R
E
-
E
G
E
F
L
S
K
E
D
L
Q
Q
R
G
---
K
L
S
K
T
L
L
E
Y
L
E
S
R
G
C
L
D
S
L
P
D
H
N
Q
L
S
L
F
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
45.76
22%
1
- C3 -
-
3F2B
3
?
A:
[117-1021]
--------------------------------------------------------------------------------------------------------------
V
E
L
H
L
H
T
P
M
S
Q
M
D
A
V
T
S
V
T
K
L
I
E
--
Q
A
K
K
W
G
H
--
P
A
I
A
V
T
D
H
A
V
V
Q
S
F
P
E
A
Y
S
A
A
K
K
H
G
M
K
V
I
Y
G
L
E
A
N
I
V
D
D-------------------------------------P
F
H
V
T
L
L
A
Q
N
E
T
G
L
K
N
L
F
K
L
V
S
L
S
H
I
Q
Y
F
H
-
R
V
P
R
I
P
R
S
-
V
L
V
K
H
R
D
G
L
-
L
V
G
-
S
G
C
D
K
G
E
L
FDN--------
V
E
D
I
AR
F
Y
D
--
F
L
E
V
H
P
P
D
V
Y
K
P
L
----
Y
V
---------
K
D
E
E
M
I
K
N
I
I
R
S
I
V
A
L
G
E
K
L
D
I
P
V
V
A
T
G
N
V
H
Y
L
N
P
E
D
-
K
I
Y
R
K
I
L
I
H
S
Q
G
G
A
N
P
L
N
R
H
E
L
---
P
D
V
Y
F
R
T
T
N
E
M
L
D
C
F
S
F
L
-----------
G
P
E
K
A
K
E
I
V
--
V
D
N
T
Q
K
I
A
---
S
L
I
G
--
D
-
V
K
P
-
I
K
D
----
E
L
Y
T
P
R
I
E
G
A
D
E
E
I
-------------
R
E
-
M
S
Y
R
R
A
K
E
I
Y
G
D
P
--------------
L
--------------------------
P
K
L
---
V
E
---------
E
R
L
E
K
E
L
K
S
I
I
G
H
G
F
A
V
I
Y
L
I
S
H
K
L
V
K
K
S
L
D
D
G
Y
L
V
G
-
S
R
G
S
V
G
S
S
F
V
A
T
M
T
E
I
T
E
V
N
P
L
P
P
H
Y
V
C
PNCK
H
S
E
F
F
NDGSVGSGFDLPDKNCPRCG
T
K
Y
K
K
D
G
-----------------------------------------
H
D
I
P
F
E
T
F
L
G
F
K
G
D
K
V
P
D
I
D
L
N
F
S
G
E
Y
Q
P
R
A
H
N
Y
T
K
V
L
F
G
E
D
N
V
Y
R
A
G
T
I
G
T
V
A
D
K
-------------
T
A
-----------
Y
G
F
V
K
-------------------
A
Y
A
S
D
H
N
L
E
L
R
-------------
G
A
E
I
D
R
L
A
A
G
C
T
G
V
K
R
T
T
G
Q
H
P
G
G
I
I
V
V
P
D
YM
E
I
Y
D
F
T
P
I
Q
Y
---
P
A
D
D
---
T
S
SE
W
R
T
T
H
F
D
F
H
S
I
H
-
D
N
L
L
K
L
D
I
L
G
H
D
D
P
T
V
I
R
-
M
L
Q
D
L
S
--------
G
I
D
--
P
K
T
I
---
P
T
D
D
P
D
V
M
G
I
F
S
STEPLGVTPEQIMC
N
V
--------------
G
T
--------------
I
G
I
P
E
F
G
T
R
F
V
R
Q
M
L
E
E
T
R
P
K
T
F
S
E
L
V
Q
I
S
G
L
S
H
GTDV
W
L
G
N
A
Q
E
--
L
I
Q
N
GTC
T
L
S
E
V
I
G
------
C
R
------
D
D
I
M
-----
V
Y
L
I
Y
R
G
L
E
P
S
L
A
F
-----
K
I
M
E
S
V
R
K
G
K
G
L
T
---------------
P
E
F
E
A
E
M
R
--
K
------------
H
D
V
P
E
W
Y
I
D
S
C
K
K
I
K
-
Y
M
F
P
K
A
H
A
A
A
Y
V
L
M
A
V
R
I
A
Y
F
K
V
H
H
P
L
L
Y
Y
A
S
Y
F
T
V
R
A
E
D
F
---------
D
L
D
A
M
I
K
G
S
A
A
I
R
K
R
I
------------------------
E
E
I
N
A
K
G
I
Q
AT
A
K
E
K
S
L
L
T
V
L
E
V
A
L
E
M
C
E
R
G
F
S
F
K
N
I
D
L
-
Y
R
S
Q
A
T
EFVI
D
G
N
S
L
I
P
P
F
N
A
I
P
G
L
G
T
N
V
A
Q
A
I
V
R
A
-
R
E
E
G
E
F
L
S
K
E
D
L
Q
Q
R
---
G
K
L
S
K
T
L
L
E
Y
L
E
S
R
G
C
L
D
S
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
43.10
21%
26
- C3 -
-
3F2B
3
?
A:
[7-1030]
VRRLETIVEEER
R
V
V
V
Q
G
Y
V
F
D
A
E
V
S
E
L
KSG
R
T
L
L
T
M
K
I
T
DYT
N
S
I
L
V
K
M
F
S
RD
K
E
D
A
E
L
M
S
G
VKKG
M
W
V
K
V
R
G
S
V
Q
NDTFVR
D
L
V
I
IAN
D
L
N
E
I
A
ANERQDTAPEG
E
K
R
V
E
L
H
L
H
T
P
M
S
Q
M
D
A
V
T
S
V
T
K
L
I
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--
Q
A
K
K
W
G
H
--
P
A
I
A
V
T
D
H
A
V
V
Q
S
F
P
E
A
Y
S
A
A
K
K
H
G
M
K
V
I
Y
---------
G
L
E
A
N
---------
I
---------
V
D
-----
D
P
--
F
H
---
V
T
L
L
A
Q
N
E
T
G
L
K
N
L
F
K
L
V
S
L
S
H
I
Q
Y
F
H
-
R
V
P
R
I
P
R
S
V
L
V
K
H
R
D
G
L
L
V
G
S
G
-
C
D
K
----------
G
E
L
F
D
N
V
E
D
I
--
A
R
F
YD
F
L
E
V
H
P
P
D
V
Y
K
P
L
Y
V
K
D
E
E
---------
M
I
K
N
I
I
R
S
I
V
A
----
L
G
E
K
L
D
I
P
V
V
A
T
G
N
V
H
Y
L
N
P
E
D
K
I
Y
R
K
I
L
I
H
S
Q
G
----
G
A
N
P
L
N
R
H
E
L
P
D
V
Y
F
R
T
T
N
E
M
L
D
C
F
S
F
L
------
G
---
P
E
K
A
K
E
I
V
V
D
N
T
Q
K
I
A
S
L
I
G
---
D
V
K
P
IK
D
-
E
L
Y
-
T
P
R
I
E
G
A
D
E
E
I
R
E
M
--
S
Y
R
R
A
-------------
K
E
I
Y
G
----------------------------------------------------
D
P
L
P
K
L
V
E
---------
E
R
L
E
K
E
L
K
S
I
I
G
H
G
F
A
V
I
Y
L
I
S
H
K
L
V
K
K
S
L
D
D
G
Y
L
V
G
S
-
R
G
S
V
G
S
S
F
V
A
T
M
T
E
I
T
E
V
N
P
L
-----------------------------------------
P
-----------------------------------------
P
H
Y
V
C
P
N
C
K
H
S
E
F
F
--
N
D
G
S
V
G
S
G
F
D
L
P
D
K
N
C
P
R
C
G
T
K
Y
K
K
D
--
G
H
D
I
P
F
E
T
F
L
G
F
KGD
K
V
P
D
I
D
L
N
F
S
G
E
Y
Q
P
R
A
H
N
Y
T
K
V
L
F
G
E
D
N
V
Y
R
A
G
T
I
---
G
T
---
V
A
D
K
T
A
Y
G
F
V
K
A
Y
A
S
D
-----
H
N
L
E
L
R
G
A
E
I
D
R
L
A
A
G
C
T
G
V
K
R
T
T
G
Q
H
P
G
G
I
I
V
V
P
D
YM
E
I
Y
D
F
T
P
I
Q
Y
PAD
D
T
S
S
---
E
W
---
R
T
T
H
F
D
F
H
S
I
H
D
-
N
L
L
K
L
D
I
L
G
H
D
D
P
T
V
I
R
M
L
Q
D
L
S
G
--------------
I
D
P
K
T
I
P
T
D
D
P
D
V
M
G
I
F
S
--------------
S
T
--------------
E
P
LGVTPEQIMCNVGT
I
G
I
P
E
F
G
T
R
F
V
R
Q
M
L
E
E
T
R
P
K
T
F
S
E
L
V
Q
I
S
G
L
------
S
H
G
--------
T
D
---
V
W
L
G
N
A
Q
------
E
L
------
I
Q
N
G
-----
T
C
T
L
S
E
V
I
G
C
R
D
D
I
M
V
Y
L
I
Y
--
R
G
L
E
P
S
L
A
F
K
I
M
E
S
V
R
K
G
K
G
L
T
P
E
F
E
A
E
M
R
K
H
D
VP
E
W
Y
I
D
S
C
K
K
------------------
I
K
Y
M
F
P
K
A
H
A
A
A
Y
V
L
M
A
V
R
I
A
Y
F
K
V
H
H
P
L
L
Y
Y
A
S
Y
F
T
V
R
A
E
D
F
---------
D
---------
L
D
A
M
I
K
-----------------------------------------------------------------------------------------
G
S
A
A
I
R
K
R
I
E
E
I
N
A
K
G
-----------------------------------------------------
I
Q
A
T
A
K
E
K
S
L
L
T
V
L
E
--
V
A
L
E
M
C
E
R
---------------------
G
F
S
F
K
--
N
I
D
L
Y
--
R
S
Q
A
T
E
F
V
I
D
-
G
-------------------------------
N
S
---
L
-
I
P
P
F
N
A
-------------------------------------------------------
I
P
G
L
G
T
N
V
A
Q
A
I
V
R
A
R
E
E
------------------------------------------------------------
G
E
F
L
S
K
E
D
L
Q
Q
R
G
K
L
S
K
T
L
L
E
Y
L
E
S
R
G
C
L
D
S
L
P
D
H
N
Q
L
S
L
F
--------------
18
PsiBlast_PDB
40.68
39%
-203
- C2 -
-
1Z7E
-
ARNA_ECOLI
A:
[23-72]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
E
I
S
A
I
F
T
H
T
D
-----------------
G
S
V
A
R
----
L
A
A
E
R
G
I
P
V
Y
A
P
D
N
V
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
38.73
39%
-188
- C2 -
-
4WKG
-
ARNA_ECOLI
A:
[23-79]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
E
I
S
A
I
F
T
H
T
D
N
P
-------------
F
Y
G
S
V
A
R
----
L
A
A
E
R
G
I
P
V
Y
A
P
D
N
V
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
33.44
19%
-112
- C3 -
-
3O0F
3
?
A:
[13-94]
------------------------------------------------------------------------------------------------------------
Q
G
W
D
I
H
C
H
T
V
F
S
--
D
G
T
E
T
P
R
T
L
V
E
--
Q
A
R
K
L
G
L
--
H
G
V
A
I
A
D
H
D
T
T
A
G
W
D
E
A
T
E
A
S
E
E
I
G
L
P
L
L
L
---------
G
T
E
I
T
---------
A
---------
V
D
-----
E
D
V
S
V
H
---
M
L
A
F
Q
Y
D
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
31.87
41%
-3
- C3 -
-
4GX8
-
DPO3A_ECOLI (first)
A:
[49-314]
-----------------------------------------------------------------------------------------------------------
P
R
F
V
H
L
R
V
H
S
D
Y
S
M
I
D
G
P
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
F
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
---------
V
---------
Q
C
DLLGD
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
R
F
I
D
S
S
D
F
D
A
H
E
I
R
V
A
I
H
D
G
F
-------
P
R
N
Y
S
P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
31.17
41%
0
- C3 -
-
4GX8
-
DPO3A_ECOLI (first)
A:
[50-315]
------------------------------------------------------------------------------------------------------------
R
F
V
H
L
R
V
H
S
D
Y
S
M
I
D
G
P
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
F
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
V
Q
C
DL----
L
---------
G
D
-----
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
R
F
I
D
S
S
D
F
D
A
H
E
I
R
V
A
I
H
D
G
F
-------
P
R
N
Y
S
P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
31.00
41%
-2
- C3 -
-
4GX8
-
DPO3A_ECOLI (first)
B:
[49-314]
-----------------------------------------------------------------------------------------------------------
P
R
F
V
H
L
R
V
H
S
D
Y
S
M
I
D
G
P
A
K
T
A
P
L
V
K
--
K
A
A
A
L
G
M
--
P
A
L
A
I
T
D
F
T
N
L
C
G
L
V
K
F
Y
G
A
G
H
G
A
G
I
K
P
I
V
---------
G
A
D
F
N
---------
V
---------
Q
C
DLLGD
E
L
--
T
H
---
L
T
V
L
A
A
N
N
T
G
Y
Q
N
L
T
L
L
I
S
K
A
Y
Q
R
G
Y
G
A
A
G
P
I
I
D
R
D
W
L
I
E
L
N
E
G
L
I
L
L
S
G
G
R
M
G
D
V
G
R
S
---
L
L
R
G
N
S
A
L
V
D
E
C
--
V
A
F
--
Y
E
E
H
F
P
D
R
Y
F
L
E
L
I
R
T
G
R
P
---------
D
E
E
S
Y
L
H
A
A
V
E
----
L
A
E
A
R
G
L
P
V
V
A
T
N
D
V
R
F
I
D
S
S
D
F
D
A
H
E
I
R
V
A
I
H
D
G
F
T
L
D
D
P
K
R
P
R
N
Y
S
P
Q
Q
Y
M
R
S
E
E
E
M
C
E
L
F
A
D
I
------
P
---
E
A
L
A
N
T
V
E
I
A
K
R
C
N
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------