@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 : PA5022: (2016-03-03 )
MPALRSLIAILFLGLCLASPPLLAQSEPPSAEAVQQSLDKLAERKLAEADQKVAKASLEQTLKFLAARDEALQSLEDLKKRLSDAPRQIEENQRELERLKKTKERPVSERYSGESAARLEMLLNDRTTQQAEWQKALGEANSLSITAETRPERAQAGISSMQARILEIGSLLKAGKESGKTINADRRGELLAEQAALTVQSQLLRQELAGNNLLQDLGKSQHDLLTEKISRLEKETLDLQALISEKRREQSEKTVAELSKEGAQGAGTDSLLSQENAKNLRLSDYLLRATDRLNVLTRRNLETKQQLDNLTQSNQALEEQINVLRGSLLLSRILYKQKQALPKIKADQSLADEIADLRLGQFELNQERDKLATPQQYLDDLLAQQPSEQVTPELRKDLDTLLATRSELLERLNHELNALLNEAITLQLNQKQLLSTSESLRTTLDEQMFWIPSNQPLDLSWFKMTPTLLKNQLTEIPWGSGVRELGEGLVDRPLLFLPLFLLIAALLWKRRYLYDKLAELNDDIGHFKRDSQLHTPLAILITILLALPGTLTFAVAGLALLLDARGQNATLGSALLEMAQVWLLFYTAHRILTPGGIAERHFHWSREQVGFLDRHLVRLGVVVLALVGVVTVAEHQPASLADDVIGIAVVLLGYAAMAWLLSRLLFSSPGDERPSLIKMIVGILFTALPLVLFVAVCFGYYYTSLKLTDRLIDTLYLLLLWFVIEAAFVRGLGVAARRLAYARALAKRQNAAKEGVDGETNVEEPTLGIEQINQQSLRLIRLALLIGFIVCLYWVWADLISVISYLDNVTLYQYTAGTGEAATSVPISLRDFLAALAIAVVTVALARNLPGLLEVLVLQRLTLAQGSAYATTTLLSYAISGIGIVSALSTLGVSWDKLQWLVAALSVGLGFGLQAIFSNFVSGLIILFERPVRIGDVVTIGNLSGTVSRIRIRATTITDFDRKEIIVPNQTFITGQLVNWSLSDTVTRVTIKIGLAYETDLPLARKLMMQAVKENPRVLRDPEPLLYFLTISASTFDYELRFHVRELGDRNPSTDEILTKIATSFREHKIDMAFNQVDVFVKNLQGQQVQLFVGEPQHSGVGNPPALKGQDGPAEPTR
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.....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MP
A
L
R
S
L
I
A
I
L
F
L
G
L
C
LASPPLLAQSEPP
S
A
------
E
A
V
Q
--
Q
S
L
D
K
L
--
A
E
R
K
L
A
E
A
D
Q
K
V
A
K
A
S
L
E
Q
T
L
K
F
L
A
A
R
D
E
A
L
Q
S
-
L
E
D
L
K
K
-
R
L
SDA
P
R
Q
I
E
E
N
Q
R
E
L
E
R
L
K
K
T
KERPVSERYSG
E
S
A
A
R
L
E
M
L
LNDRTT
Q
Q
A
E
W
Q
K
ALGEAN
S
L
S
I
T
AE-----TR
P
E
R
A
Q
A
G
I
S
S
M
Q
A
R
I
L
E
I
G
S
L
L
K
AGKESGKTIN
A
D
R
R
G
E
L
L
A
E
Q
A
A
L
T
V
Q
S
Q
L
--
L
R
Q
--
E
LAG
N
N
L
L
Q
-
D
L
G
K
S
Q
H
D
L
L
T
E
K
I
S
R
L
E
K
E
T
L
D
L
Q
A
L
I
S
E
K
R
R
E
Q
S
E
K
T
V
-----------
A
E
L
S
--KEGAQGAGT
D
-
S
L
L
SQENAKN----------------L
R
L
S
D
Y
L
L
--------
R
A
T
D
R
L
N
V
L
---------
T
RRNL
E
T
K
Q
Q
L
D
N
L
TQ
S
N
Q
A
L
E
E
Q
I
N
V
L
R
-----
G
S
L
L
L
S
R
I
L
Y
K
Q
K
Q
ALPKIKA
D
Q
S
L
A
D
E
I
A
D
LRLG
Q
F
E
LN
Q
E
R
D
KLA
T
P
Q
Q
Y
L
D
D
L
L
AQQ
P
S
E
QV
T
P
E
L
R
K
D
L
D
T
L
L
A
T
R
S
E
L
L
E
R
L
N
H
E
L
N
A
L
L
NE
A
I
T
L
Q
L
N
Q
K
Q
L
L
S
T
S
E
S
L
R
T
T
LDE
Q
M
F
W-IPSNQPLD
L
S
W
F
KM
T
P
T
L
L
K
N
Q
L
TEIPW
G
S
G
V
R
E
L
G
E
G
L
--VDR
P
L
L
F
L
P
L
F
L
L
I
A
A
L
L
W
K
R
R
Y
--
L
Y
D
K
L
A
E
L
N
D
D
IGHFKRDSQLH
T
--------
P
L
A
I
L
I
T
I
L
L
ALP
G
T
L
T
F
A
V
A
G
L
A
L
L
LDARGQNA
T
L
G
S
A
L
L
E
M
A
Q
V
W
L
L
F
Y
T
A
H
R
ILTPGGI
A
E
R
HFHW
S
R
E
Q
V
G
F
L
D
R
H
L
V
R
L
G
V
V
V
L
A
L
V
G
V
V
T
VAEHQ
P
A
S
L
A
D
D
V
I
G
I
A
V
V
L
L
G
Y
A
A
M
A
W
L
L
S
R
L
L
FSSPGDE
R
P
S
L
I
K
M
I
V
G
I
L
F
T
A
L
P
L
V
L
F
V
A
V
C
F
G
Y
Y
Y
T
S
L
K
L
T
D
R
L
I
D
T
L
Y
L
L
L
L
W
F
V
I
E
A
A
F
V
R
G
L
G
V
A
A
R
R
L
A
Y
A
R
A
L
A
K
R
Q
N
AAKEGVDGETNVEEPTL
G
I
E
Q
I
N
Q
Q
S
L
R
L
I
R
L
A
L
L
I
G
F
I
V
C
L
Y
W
V
W
A
D
L
I
S
V
I
S
Y
LDN
V
T
L
Y
Q
Y
TAGTGEAATSVP
I
S
L
R
D
F
L
A
A
L
A
I
A
V
V
T
V
A
L
A
RN
L
P
-
G
L
L
E
V
L
V
L
Q
R
-----
L
T
LAQGS
A
Y
A
T
T
T
---
L
----
L
S
Y
A
I
S
G
I
G
I
V
S
A
-
L
S
T
LGV
S
W
D
K
L
Q
W
L
V
A
A
L
S
V
G
L
G
F
G
L
Q
A
I
F
S
N
F
V
S
G
L
I
I
L
FERPVRIG
D
V
V
T
IGNLSG
T
V
S
R
I
R
I
R
A
T
T
ITDFDR
K
E
I
IVPNQ
T
F
I
T
G
Q
L
VNWSLSD
T
V
T
R
V
T
I
K
I
G
L
A
YETD
L
P
L
A
R
K
L
M
M
Q
A
V
KENPRV---LRDPE
P
L
L
Y
F
L
T
ISAS
T
F
D
Y
E
L
R
F
H
V
R
-
E
LGDRNP
S
T
D
E
I
L
T
K
I
A
T
S
F
R
E
H
K
I
D
M
A
F
N
Q
V
D
V
F
V
K
NLQG
Q
Q
V
Q
L
F
VGEPQHSGVGNPPALKGQDGPAEPTR
42
Fugue
81.21
27%
-78
- C6 -
2VV5
-
MSCS_ECOLI
A:
[25-280]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
Y
A
V
N
I
V
A
A
L
A
I
I
I
V
G
L
I
I
A
R
M
I
S
-
N
A
V
N
R
L
M
I
S
R
------
K
I
D
A
T
V
A
D
F
L
S
A
---
L
----
V
R
Y
G
I
I
A
F
T
L
I
A
A
-
L
G
R
V
G
V
Q
T
A
S
V
I
A
V
L
G
A
A
G
L
V
V
G
L
A
L
Q
G
S
L
S
N
L
A
A
G
V
L
L
V
M
F
R
P
F
R
A
G
E
Y
V
D
L
G
G
V
A
G
T
V
L
S
V
Q
I
F
S
T
T
M
R
T
A
D
G
K
I
I
V
I
P
N
G
K
I
I
A
G
N
I
I
N
F
S
-
R
E
P
V
R
R
N
E
F
I
I
G
V
A
Y
D
S
D
I
D
Q
V
K
Q
I
L
T
N
I
I
Q
S
E
D
R
I
---
L
K
D
R
E
M
T
V
R
L
N
E
L
G
A
S
S
I
N
F
V
V
R
V
W
S
N
-
S
-
G
D
L
Q
N
V
Y
W
D
V
L
E
R
I
K
R
E
F
D
A
A
G
I
S
F
P
Y
P
Q
M
D
V
N
F
K
R
V
----------------------------------
3
PsiBlast_PDB
80.57
27%
-79
- C6 -
5AJI
2
?
A:
[30-281]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
A
A
L
A
I
I
I
V
G
L
I
I
A
R
M
I
S
-
N
A
V
N
R
L
M
I
S
R
-----
K
I
D
A
T
V
A
-
F
-
L
S
A
---
L
----
V
R
Y
G
I
I
A
F
T
L
I
A
A
-
L
G
R
V
G
V
Q
T
A
S
V
I
A
V
L
G
A
A
G
L
A
V
G
L
A
L
Q
G
S
L
S
N
L
A
A
G
V
L
L
V
M
F
R
P
F
R
A
G
E
Y
V
D
L
G
G
V
A
G
T
V
L
S
V
Q
I
F
S
T
T
M
R
T
A
D
G
K
I
I
V
I
P
N
G
K
I
I
A
G
N
I
I
N
F
S
-
R
E
P
V
R
R
N
E
F
I
I
G
V
A
Y
D
S
D
I
D
Q
V
K
Q
I
L
T
N
I
I
Q
S
E
D
R
I
---
L
K
D
R
E
M
T
V
R
L
N
E
L
G
A
S
S
I
N
F
V
V
R
V
W
S
N
-
S
-
G
D
L
Q
N
V
Y
W
D
V
L
E
R
I
K
R
E
F
D
A
A
G
I
S
F
P
Y
P
Q
M
D
V
N
F
K
R
V
K
---------------------------------
4
PsiBlast_PDB
79.00
27%
-75
- C6 -
2OAU
-
MSCS_ECOLI
A:
[30-280]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
A
A
L
A
I
I
I
V
G
L
I
I
A
R
M
I
S
-
N
A
V
N
R
L
M
I
S
R
-----
K
I
D
A
T
V
A
D
F
-
L
S
A
---
L
----
V
R
Y
G
I
I
A
F
T
L
I
A
A
-
L
G
R
V
G
V
Q
T
A
S
V
I
A
V
L
G
A
A
G
L
A
V
G
L
A
L
Q
G
S
L
S
N
L
A
A
G
V
L
L
V
M
F
R
P
F
R
A
G
E
Y
V
D
L
G
G
V
A
G
T
V
L
S
V
Q
I
F
S
T
T
M
R
T
A
D
G
K
I
I
V
I
P
N
G
K
I
I
A
G
N
I
I
N
F
S
-
R
E
P
V
R
R
N
E
F
I
I
G
V
A
Y
D
S
D
I
D
Q
V
K
Q
I
L
T
N
I
I
Q
S
E
D
R
I
---
L
K
D
R
E
M
T
V
R
L
N
E
L
G
A
S
S
I
N
F
V
V
R
V
W
S
N
-
S
-
G
D
L
Q
N
V
Y
W
D
V
L
E
R
I
K
R
E
F
D
A
A
G
I
S
F
P
Y
P
Q
M
D
V
N
F
K
R
V
----------------------------------
1
PsiBlast_PDB
79.00
27%
-28
- C- -
4AGF
-
MSCS_ECOLI
A:
[30-281]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
A
A
L
A
I
I
I
V
G
L
I
I
A
R
M
I
S
-
N
A
V
N
R
L
M
I
S
R
-----
K
I
D
A
T
V
A
D
F
-
L
S
A
---
L
----
V
R
Y
G
I
I
A
F
T
L
I
A
A
-
L
G
R
V
G
V
Q
T
A
S
V
I
A
V
L
G
A
A
G
L
A
V
G
L
A
L
Q
G
S
L
S
N
L
A
A
G
V
L
C
V
M
F
R
P
F
R
A
G
E
Y
V
D
L
G
G
V
A
G
T
V
L
S
V
Q
I
F
S
T
T
M
R
T
A
D
G
K
I
I
V
I
P
N
G
K
I
I
A
G
N
I
I
N
F
S
-
R
E
P
V
R
R
N
E
F
I
I
G
V
A
Y
D
S
D
I
D
Q
V
K
Q
I
L
T
N
I
I
Q
S
E
D
R
I
---
L
K
D
R
E
M
T
V
R
L
N
E
L
G
A
S
S
I
N
F
V
V
R
V
W
S
N
-
S
-
G
D
L
Q
N
V
Y
W
D
V
L
E
R
I
K
R
E
F
D
A
A
G
I
S
F
P
Y
P
Q
M
D
V
N
F
K
R
V
K
---------------------------------
6
PsiBlast_PDB
78.84
27%
-28
- C- -
2VV5
-
MSCS_ECOLI
A:
[30-281]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
A
A
L
A
I
I
I
V
G
L
I
I
A
R
M
I
S
-
N
A
V
N
R
L
M
I
S
R
-----
K
I
D
A
T
V
A
D
F
-
L
S
A
---
L
----
V
R
Y
G
I
I
A
F
T
L
I
A
A
-
L
G
R
V
G
V
Q
T
A
S
V
I
A
V
L
G
A
A
G
L
V
V
G
L
A
L
Q
G
S
L
S
N
L
A
A
G
V
L
L
V
M
F
R
P
F
R
A
G
E
Y
V
D
L
G
G
V
A
G
T
V
L
S
V
Q
I
F
S
T
T
M
R
T
A
D
G
K
I
I
V
I
P
N
G
K
I
I
A
G
N
I
I
N
F
S
-
R
E
P
V
R
R
N
E
F
I
I
G
V
A
Y
D
S
D
I
D
Q
V
K
Q
I
L
T
N
I
I
Q
S
E
D
R
I
---
L
K
D
R
E
M
T
V
R
L
N
E
L
G
A
S
S
I
N
F
V
V
R
V
W
S
N
-
S
-
G
D
L
Q
N
V
Y
W
D
V
L
E
R
I
K
R
E
F
D
A
A
G
I
S
F
P
Y
P
Q
M
D
V
N
F
K
R
V
K
---------------------------------
2
PsiBlast_PDB
78.74
27%
-27
- C- -
4AGE
-
MSCS_ECOLI
A:
[30-281]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
A
A
L
A
I
I
I
V
G
L
I
I
A
R
M
I
S
-
N
A
V
N
R
L
M
I
S
R
-----
K
I
D
A
T
V
A
C
F
-
L
S
A
---
L
----
V
R
Y
G
I
I
A
F
T
L
I
A
A
-
L
G
R
V
G
V
Q
T
A
S
V
I
A
V
L
G
A
A
G
L
A
V
G
L
A
L
Q
G
S
L
S
N
L
A
A
G
V
L
L
V
M
F
R
P
F
R
A
G
E
Y
V
D
L
G
G
V
A
G
T
V
L
S
V
Q
I
F
S
T
T
M
R
T
A
D
G
K
I
I
V
I
P
N
G
K
I
I
A
G
N
I
I
N
F
S
-
R
E
P
V
R
R
N
E
F
I
I
G
V
A
Y
D
S
D
I
D
Q
V
K
Q
I
L
T
N
I
I
Q
S
E
D
R
I
---
L
K
D
R
E
M
T
V
R
L
N
E
L
G
A
S
S
I
N
F
V
V
R
V
W
S
N
-
S
-
G
D
L
Q
N
V
Y
W
D
V
L
E
R
I
K
R
E
F
D
A
A
G
I
S
F
P
Y
P
Q
M
D
V
N
F
K
R
V
K
---------------------------------
5
PsiBlast_PDB
77.72
27%
-25
- C- -
4HWA
-
MSCS_ECOLI
A:
[30-281]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
A
A
L
A
I
I
I
V
G
L
I
I
A
R
M
I
S
-
N
A
V
N
R
L
M
I
S
R
-----
K
I
D
A
T
V
A
D
F
-
L
S
A
---
L
----
V
R
Y
G
I
I
A
F
T
L
I
A
A
-
L
G
R
V
G
V
Q
T
A
S
V
I
A
V
L
G
A
A
G
L
A
V
G
L
A
L
Q
G
S
L
S
N
L
A
A
G
V
L
L
V
M
F
R
P
F
R
A
G
E
Y
V
D
L
G
G
V
A
G
T
V
L
S
V
Q
I
F
S
T
T
M
R
T
A
D
G
K
I
I
V
I
P
N
G
K
I
I
A
G
N
I
I
N
F
S
-
R
E
P
V
R
R
N
E
F
I
I
G
V
A
Y
D
S
D
I
D
Q
V
K
Q
I
L
T
N
I
I
Q
S
E
D
R
I
---
L
K
D
R
E
M
T
V
R
L
N
E
L
G
A
S
S
I
N
F
V
V
R
V
W
S
N
-
S
-
G
D
L
Q
N
V
Y
W
D
V
L
E
R
I
K
R
E
F
D
A
A
G
I
S
F
P
Y
P
Q
M
D
V
N
F
K
R
V
K
---------------------------------
22
HHSearch
68.68
22%
-49
- C6 -
3UDC
-
MSCS_ECOLI
A:
[21-279]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
L
D
V
L
K
I
L
I
I
A
F
I
G
I
K
F
A
D
F
L
I
-
Y
R
F
Y
K
L
Y
S
K
S
KIQLP
Q
R
K
I
D
T
L
T
S
L
T
K
N
---
A
----
V
R
Y
I
I
Y
F
L
A
G
A
S
I
-
L
K
L
F
N
I
D
M
T
S
L
L
A
V
A
G
I
G
S
L
A
I
G
F
G
A
Q
N
L
V
K
D
M
I
S
G
F
F
I
I
F
E
D
Q
F
S
V
G
D
Y
V
T
I
N
G
I
S
G
T
V
E
E
I
G
L
R
V
T
K
I
R
G
F
S
D
G
L
H
I
I
P
N
G
E
I
K
--
M
V
T
N
L
T
K
D
S
--
M
M
A
V
V
N
I
A
F
P
I
D
E
D
V
D
K
I
I
E
G
L
Q
E
I
C
E
E
V
K
K
S
R
DD
L
I
E
G
P
T
V
L
G
I
T
D
M
Q
D
S
K
L
V
I
M
V
Y
A
K
T
Q
-
P
-
M
Q
K
W
A
V
E
R
D
I
R
Y
R
V
K
K
M
F
D
Q
K
N
I
S
F
P
Y
P
Q
M
D
V
N
F
K
R
V
----------------------------------
9
PsiBlast_PDB
65.11
21%
-52
- C6 -
4HW9
-
?
A:
[74-269]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-
L
S
T
L
G
V
Q
T
T
S
I
I
T
V
L
G
T
V
G
I
A
V
A
L
A
L
K
D
Y
L
S
S
I
A
G
G
I
I
L
I
I
L
H
P
F
K
K
G
D
I
I
E
I
S
G
L
E
G
K
V
E
A
L
N
F
F
N
T
S
L
R
L
H
D
G
R
L
A
V
L
P
N
R
S
-
V
A
N
S
N
I
I
N
S
N
N
T
A
C
R
R
I
E
W
V
C
G
V
G
Y
G
S
D
I
E
L
V
H
K
T
I
K
D
V
I
D
T
M
E
K
I
---
D
K
N
M
P
T
F
I
G
I
T
D
F
G
S
S
S
L
N
F
T
I
R
V
W
A
K
I
E
D
G
I
F
N
V
R
S
-
E
L
I
E
R
I
K
N
A
L
D
A
N
H
I
E
I
P
F
N
K
L
D
I
A
I
K
N
-----------------------------------
50
Fugue
63.80
12%
-14
- C1 -
1CII
-
?
?:
[23-624]
--------
E
I
M
A
V
D
I
Y
V
N
P
P
R
V
D
V
F
H
G
T
P
P
A
WSSFGN
K
T
I
W
--
G
G
N
E
W
V
--
D
D
S
P
T
R
S
D
I
E
K
R
D
K
E
I
T
A
Y
K
N
T
L
S
A
Q
Q
K
E
N
E
N
K
-
R
T
E
A
G
K
-
R
L
S
A
A
I
A
A
R
E
K
D
E
N
T
L
K
T
L
R
A
G
N
A
D
A
A
D
I
T
R
Q
E
F
R
L
L
Q
A
E
L
R
E
Y
G
F
R
T
E
I
A
G
Y
D
A
L
R
L
H
T
E
S
R
M
L
F
A
D
ADSLR
I
S
P
R
E
A
R
S
L
I
E
Q
A
E
K
R
Q
K
D
A
Q
N
A
D
K
K
A
A
D
M
L
A
E
Y
E
R
R
K
G
I
L
D
T
R
L
S
E
L
E
K
N
G
G
A
A
--
L
A
V
--
L
D
A
Q
Q
A
R
L
L
-
G
Q
Q
T
R
N
D
R
A
I
S
E
A
R
N
K
L
S
S
V
T
E
S
L
N
T
A
R
N
A
L
T
R
A
E
Q
Q
L
T
Q
-----------
Q
K
N
T
--
P
D
G
K
T
I
V
S
P
E
-
K
F
P
G
R
S
S
T
N
D
----------------
S
I
V
V
S
G
D
P
--------
R
F
A
G
T
I
K
I
T
---------
T
S
A
V
I
D
N
R
A
N
L
N
Y
L
L
S
H
S
G
L
D
Y
K
R
N
I
L
N
D
RNPVV
T
E
D
V
E
G
D
K
K
I
Y
N
A
E
V
A
E
W
D
K
L
R
Q
R
L
L
D
A
R
N
K
I
T
S
A
E
S
A
V
N
S
A
R
N
N
L
S
A
R
T
N
E
Q
K
H
A
N
D
A
L
N
A
L
L
K
E
K
E
N
I
R
N
Q
L
S
G
I
N
Q
K
I
A
E
E
K
R
K
Q
D
E
L
K
A
T
K
D
A
I
N
F
T
T
E
F
L
K
S
V
S
E
K
Y
G
A
K
A
E
Q
L
A
R
E
M
A
G
Q
A
K
G
K
K
I
R
N
V
E
E
A
L
K
T
Y
E
K
Y
R
A
D
I
N
K
K
I
N
A
K
D
R
A
A
I
A
A
A
L
E
S
V
K
L
S
D
I
S
S
N
L
N
R
F
S
R
G
L
G
Y
A
G
K
F
T
S
L
A
D
W
I
T
E
F
G
K
A
V
R
T
E
N
W
R
P
L
F
V
K
T
E
T
IIAGN
A
A
T
A
L
V
A
L
V
F
S
I
L
T
G
S
A
L
G
I
I
G
Y
G
L
L
M
A
V
T
G
--
A
L
I
D
E
S
L
V
E
K
A
N
K
F
W
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
61.74
22%
93
- C6 -
4CGK
2
?
A:
[42-270]
--------------------------------------------------------------------------------------
S
N
L
T
A
-
Q
Q
Q
E
A
Q
K
Q
V
D
Q
I
Q
E
Q
V
S
A
I
Q
A
E
Q
S
N
L
Q
A
E
--------------
N
D
R
L
--
Q
A
E
S
K
K
L
E
G
E
I
T
E
L
S
K
N
I
V
-----
S
R
N
Q
S
L
E
K
Q
A
R
S
A
Q
T
N
-
G
A
V
T
S
Y
I
N
T
I
V
N
S
K
S
I
T
E
A
I
S
R
V
A
A
M
S
E
--
I
V
S
A
N
N
K
M
--
L
E
Q
--
Q
K
A
D
K
K
A
I
S
-
E
K
Q
V
A
N
N
D
A
I
N
T
V
I
A
N
Q
Q
K
L
A
D
D
A
Q
A
L
T
T
----
K
Q
A
E
L
K
A
-----------
A
E
L
S
L
A
A
E
K
A
T
A
E
G
E
K
A
S
L
L
E
Q
K
A
A
A
E
----------------
A
E
A
R
A
A
A
V
A
E
A
A
Y
K
E
K
R
A
S
Q
Q
Q
S
V
L
---------
A
S
A
N
T
N
L
T
A
Q
V
Q
A
V
S
E
S
A
A
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
60.13
17%
65
- C4 -
4CGK
7
?
A:
[42-392]
------------------------------------------------------
S
N
L
T
A
Q
Q
Q
E
A
Q
K
Q
V
D
Q
I
Q
E
Q
V
S
A
I
Q
A
E
Q
S
N
-
L
Q
A
E
N
D
-
R
L
Q
A
E
S
K
K
L
E
G
E
I
T
E
L
S
K
N
I
V
S
R
N
Q
S
L
E
K
Q
A
R
S
A
Q
------------
T
N
G
A
V
T
S
Y
I
N
T
I
V
N
S
K
S
I
T
E
A
-----
I
S
R
V
A
A
M
S
E
I
V
S
A
N
N
K
M
L
E
Q
Q
K
A
D
K
K
A
I
S
E
K
Q
V
A
N
N
D
A
I
N
T
V
I
A
N
Q
Q
K
L
A
D
D
A
Q
A
--
L
T
T
--
K
Q
A
E
L
K
A
A
E
L
S
L
A
A
E
K
A
T
A
E
G
E
K
A
S
L
L
E
Q
K
A
A
A
E
A
E
A
R
A
A
A
V
A
E
A
A
Y
K
E
K
-----------
R
A
S
Q
--
Q
Q
S
V
L
A
S
A
N
T
-
N
L
T
A
Q
V
Q
A
V
S
E
SAAAPVRAKV
R
P
T
Y
S
T
N
A
S
S
Y
P
I
G-------
E
C
T
W
G
V
K
T
L
A
PWAGDYWG
N
G
A
Q
W
A
T
S
A
A
A
A
G
F
R
T
G
S
T
P
Q
V
G
A
I
A
C
W
N
DG---
G
Y
G
H
V
A
V
V
T
A
V
E
S
T
T
R
I
Q
V
S
E
S
N
Y
A
G
N
R
T
I
G
N
H
R
G
W
F
N
P
T
T
T
S
E
G
F
V
T
Y
I
-
Y
A
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
55.94
29%
141
- C6 -
4L3I
-
PRC1_HUMAN
A:
[6-137]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
R
S
E
V
L
A
E
E
S
I
V
C
L
Q
K
A
L
N
H
L
R
E
I
W
E
L
I
G
-------
I
P
E
D
Q
R
L
Q
R
T
E
V
V
K
K
H
I
K
E
L
L
D
M
M
I
A
E
E
E
S
L
K
E
R
L
I
K
S
I
S
V
C
Q
K
E
L
N
T
L
C
S
E
L
H
--
V
E
P
F
Q
E
E
G
E
T
-
T
I
L
Q
L
E
--
K
D
----------------
L
R
T
Q
V
E
L
M
--------
R
------------------
K
Q
K
K
E
R
K
Q
E
L
K
L
L
Q
E
Q
D
Q
E
L
C
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
54.04
29%
138
- C6 -
4L6Y
-
PRC1_HUMAN
A:
[6-141]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
R
S
E
V
L
A
E
E
S
I
V
C
L
Q
K
A
L
N
H
L
R
E
I
W
E
L
I
G
-------
I
P
E
D
Q
R
L
Q
R
T
E
V
V
K
K
H
I
K
E
L
L
D
M
M
I
A
E
E
E
S
L
K
E
R
L
I
K
S
I
S
V
C
Q
K
E
L
N
T
L
C
S
E
L
H
--
V
E
P
F
Q
E
E
G
E
T
-
T
I
L
Q
L
E
--
K
D
----------------
L
R
T
Q
V
E
L
M
--------
R
------------------
K
Q
K
K
E
R
K
Q
E
L
K
L
L
Q
E
Q
D
Q
E
L
C
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
49.90
30%
-21
- C6 -
3UDC
-
MSCS_ECOLI
A:
[21-166]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
L
D
V
L
K
I
L
I
I
A
F
I
G
I
K
F
A
D
F
L
I
Y
R
F
Y
K
L
Y
S
K
S
K
-----
I
Q
L
P
Q
R
K
I
D
T
L
T
S
---
L
T
K
N
A
V
R
Y
I
I
Y
F
L
A
G
A
S
I
-
L
K
L
F
N
I
D
M
T
S
L
L
A
V
A
G
I
G
S
L
A
I
G
F
G
A
Q
N
L
V
K
D
M
I
S
G
F
F
I
I
F
E
D
Q
F
S
V
G
D
Y
V
T
I
N
G
I
S
G
T
V
E
E
I
G
L
R
V
T
K
I
R
G
F
S
D
G
L
H
I
I
P
N
---------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
49.73
30%
-33
- C6 -
3T9N
2
?
A:
[21-169]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
L
D
V
L
K
I
L
I
I
A
F
I
G
I
K
F
A
D
F
L
I
Y
R
F
Y
K
L
Y
S
K
S
K
-----
I
Q
L
P
Q
R
K
I
D
T
L
T
S
---
L
T
K
N
A
V
R
Y
I
I
Y
F
L
A
G
A
S
I
-
L
K
L
F
N
I
D
M
T
S
L
L
A
V
A
G
I
G
S
L
A
I
G
F
G
A
Q
N
L
V
K
D
M
I
S
G
F
F
I
I
F
E
D
Q
F
S
V
G
D
Y
V
T
I
N
G
I
S
G
T
V
E
E
I
G
L
R
V
T
K
I
R
G
F
S
D
G
L
H
I
I
P
N
---------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
49.17
29%
-23
- C6 -
3HD6
1
RHCG_HUMAN
A:
[216-347]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
N
S
V
Y
Q
S
D
L
F
A
M
I
G
T
L
F
-
L
W
M
Y
W
P
S
F
N
S
A
I
S
Y
------------
H
G
D
S
Q
H
R
A
A
I
N
T
Y
C
S
L
A
A
C
V
L
T
S
V
A
I
S
S
A
L
H
K
K
-
G
K
L
D
M
V
H
I
Q
N
-----
A
T
L
A
G
G
V
A
V
G
T
A
A
EMM
L
----
M
P
Y
G
A
L
I
I
G
F
V
C
G
I
I
S
T
L
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
48.04
11%
54
- C6 -
3NA7
3
?
A:
[1-237]
------------------------------------------------------------------------
L
G
S
N
T
H
L
K
Q
L
I
E
-
I
S
H
L
D
K
-
E
I
D
S
L
E
P
L
I
R
E
K
R
K
D
L
D
K
A
L
N
D
K
E
A
K
N
K
A
I
L
N
L
E
E
E
K
L
A
L
K
L
Q
V
S
K
N
E
Q
T
L
Q
D
T
N
A
K
I
A
S
I
Q
K
K
M
S
E
I
-----
K
S
E
R
E
L
R
S
L
N
I
E
E
D
I
A
K
E
R
S
N
Q
A
N
R
E
I
E
N
L
Q
N
E
I
K
R
K
S
E
K
Q
E
D
L
K
K
E
M
L
E
L
E
K
L
A
--
L
E
L
--
E
S
L
V
E
N
E
V
K
-
N
I
K
E
T
Q
Q
I
I
F
K
K
K
E
D
L
V
E
K
T
E
P
K
I
Y
S
F
Y
E
R
I
R
R
W
A
K
N
T
S
I
-----------
V
T
I
K
--
K
Q
A
C
G
G
C
F
I
R
---
L
N
D
K
I
Y
T
E
----------------
V
L
T
S
G
D
M
I
--------
T
C
P
Y
C
G
R
I
L
---------
Y
A
E
G
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
48.03
27%
239
- C6 -
4WIJ
-
SFPQ_HUMAN
A:
[204-294]
------------------
T
P
P
R
F
A
Q
H
G
T
F
E
Y
------
E
Y
S
Q
R
W
K
S
L
D
E
M
E
K
Q
Q
R
E
Q
V
E
K
N
M
K
D
A
K
D
K
L
E
S
E
M
E
D
A
Y
H
E
H
Q
A
N
L
L
-
R
Q
D
L
M
R
-
R
Q
E
E
L
R
R
M
E
E
L
H
N
Q
E
M
Q
K
R
K
E
M
Q
L
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
45.50
30%
251
- C6 -
4KIK
-
IKKB_HUMAN
A:
[522-601]
---------------------------------------------------------
E
M
E
Q
A
V
E
L
C
G
R
E
N
E
V
K
L
L
V
E
R
M
M
A
L
Q
T
D
I
V
D
L
Q
R
S---
G
T
L
D
D
L
E
E
Q
A
R
E
L
Y
R
--
R
L
R
E
K
P
R
D
Q
R
T
E
G
D
S
Q
E
M
V
R
L
L
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------