@TOME V2.2
(Nov 2016)
Ref.
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : S28A3_HUMAN: (2015-12-10 )
MELRSTAAPRAEGYSNVGFQNEENFLENENTSGNNSIRSRAVQSREHTNTKQDEEQVTVEQDSPRNREHMEDDDEEMQQKGCLERRYDTVCGFCRKHKTTLRHIIWGILLAGYLVMVISACVLNFHRALPLFVITVAAIFFVVWDHLMAKYEHRIDEMLSPGRRLLNSHWFWLKWVIWSSLVLAVIFWLAFDTAKLGQQQLVSFGGLIMYIVLLFLFSKYPTRVYWRPVLWGIGLQFLLGLLILRTDPGFIAFDWLGRQVQTFLEYTDAGASFVFGEKYKDHFFAFKVLPIVVFFSTVMSMLYYLGLMQWIIRKVGWIMLVTTGSSPIESVVASGNIFVGQTESPLLVRPYLPYITKSELHAIMTAGFSTIAGSVLGAYISFGVPSSHLLTASVMSAPASLAAAKLFWPETEKPKITLKNAMKMESGDSGNLLEAATQGASSSISLVANIAVNLIAFLALLSFMNSALSWFGNMFDYPQLSFELICSYIFMPFSFMMGVEWQDSFMVARLIGYKTFFNEFVAYEHLSKWIHLRKEGGPKFVNGVQQYISIRSEIIATYALCGFANIGSLGIVIGGLTSMAPSRKRDIASGAVRALIAGTVACFMTACIAGILSSTPVDINCHHVLENAFNSTFPGNTTKVIACCQSLLSSTVAKGPGEVIPGGNHSLYSLKGCCTLLNPSTFNCNGISNTF
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MELRSTAAPRAEGYSNVGFQN
E
E
N
FLENENTSGN
N
S
I
R
S
R
A
V
QSREHTNTKQDEE
Q
V
T
VEQDSPR--------------------NREHMED
D
D
E
E
M
Q
Q
K
G
C
L
E
R
R
--------------------
Y
D
T
V
C
G
F
C
R
K
H
K
T
T
L
R
H
I
I
W
G
I
L
L
A
G
Y
L
V
M
V
I
S
A
C
V
L
N
F
HRA-
L
P
L
F
V
I
T
V
A
A
I
F
F
V
------
V
W
D
H
L
M
A
K
Y
E
H
R
I
D
E
M
L
S
P
G
R
R
L
L
NSHW
F
W
L
K
W
V
I
W
S
S
L
V
L
A
V
I
F
W
L
A
F
D
T
A
K
L
G
Q
Q
Q
L
V
S
FG
G
L
I
M
Y
I
V
L
L
F
L
F
SKYP
T
R
V
Y
W
R
P
V
L
W
G
I
G
L
Q
F
L
L
G
L
L
ILRTDPGF
I
A
F
D
W
L
G
R
Q
V
Q
T
F
L
E
YTDAGAS
F
V
----FGEKYK
D
H
F
F
----------
A
F
----------
K
V
L
P
I
V
V
F
F
--
S
T
V
M
S
M
L
Y
Y
L
G
L
M
Q
-----
W
I
I
R
KV
G
W
I
M
L
V
TTGS
S
P
I
E
S
V
VAS-G
N
I
F
VGQTES
P
L
L
VRPYLPYI
T
K
S
E
L
H
A
I
M
T
A
G
F
S
T
I
A
G
S
V
L
G
A
Y
I
SFGVP----S
S
H
L
L
T
A
S
V
MSA
P
A
S
L
A
A
A
K
LFWPETEK
P
K
I
T
L
K
N
A
M
KMESGDS--G
N
L
------
L
E
A
A
TQGAS
S
S
I
S
L
V
A
N
I
A
V
N
L
I
A
F
L
A
L
L
S
F
M
N
S
A
L
S
W
F
G
NMFDYP
Q
L
S
F
E
L
I
C
S
Y
I
F
M
P
F
S
F
M
MGVEW
Q
D
S
F
M
V
A
R
L
I
G
Y
---
K
T
F
F
N
E
F
V
A
Y
E
H
L
S
K
W
I
H
L
RKEGG
P
K
F
V
N
G
V
Q
Q
Y
I
S
I
R
S
E
I
I
A
T
Y
A
L
CGFANIGS
L
G
I
V
IG
G
L
TSMAP
S
R
K
R
D
I
A
S
G
A
V
R
A
L
I
A
G
T
V
A
C
F
M
T
A
C
I
A
G
I
L
SSTPV
D
I
N
C
H
H
V
L
E
N
AFNSTFPGN
T
T
K
V
I
A
C
C
Q
S
L
L
----
S
S
T
V
AKGPGEVIPGGNH
S
L
Y
SLKG
C
C
T
LLNPS
T
F
NCNGISNTF
20
Fugue
97.69
40%
-130
- C4 -
3TIJ
6
?
A:
[8-422]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
L
F
M
S
L
I
G
M
A
V
L
L
G
I
A
V
L
L
S
S
N
R
K
A
I
N
L
R
T
V
G
G
A
F
A
I
Q
F
S
L
G
A
F
I
L
Y
V
P
W
G
Q
E
L
L
R
G
F
S
D
A
V
S
N
V
I
N
Y
G
N
D
G
T
S
F
L
----
F
G
G
L
V
S
G
K
M
F
----------
E
V
FGGGGFIFAF
R
V
L
P
T
L
I
F
F
--
S
A
L
I
S
V
L
Y
Y
L
G
V
M
Q
-----
W
V
I
R
I
L
G
G
G
L
Q
K
A
L
G
T
S
R
A
E
S
M
S
A
A
-
A
N
I
F
V
G
Q
T
E
A
P
L
V
V
R
P
F
V
P
K
M
T
Q
S
E
L
F
A
V
M
C
G
G
L
A
S
I
A
G
G
V
L
A
G
Y
A
S
M
G
V
K
----
I
E
Y
L
V
A
A
S
F
M
A
A
P
G
G
L
L
F
A
K
L
M
M
P
E
T
E
K
P
Q
-----------
D
K
P
--
A
N
V
------
I
D
A
A
A
G
G
A
S
A
G
L
Q
L
A
L
N
V
G
A
M
L
I
A
F
I
G
L
I
A
L
I
N
G
M
L
G
G
I
G
G
W
F
G
M
P
E
L
K
L
E
M
L
L
G
W
L
F
A
P
L
A
F
L
I
G
V
P
W
N
E
A
T
V
A
G
E
F
I
G
L
---
K
T
V
A
N
E
F
V
A
Y
S
Q
F
A
P
Y
L
T
----------
E
A
A
P
V
V
L
S
E
K
T
K
A
I
I
S
F
A
L
C
G
F
A
N
L
S
S
I
A
I
L
L
G
G
L
G
S
L
A
P
K
R
R
G
D
I
A
R
M
G
V
K
A
V
I
A
G
T
L
S
N
L
M
A
A
T
I
A
G
F
F
L
----------------------------------------------------------------------------------
2
PsiBlast_PDB
97.68
39%
-132
- C4 -
4PB2
2
?
A:
[15-419]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
M
A
V
L
L
G
I
A
V
L
L
S
S
N
R
K
A
I
N
L
R
T
V
G
G
A
F
A
I
Q
F
S
L
G
A
F
I
L
Y
V
P
W
G
Q
E
L
L
R
G
F
S
D
A
V
S
N
V
I
N
Y
G
N
D
G
T
S
F
L
----
F
G
G
L
V
S
G
K
M
F
E
V
FGGGGFIF
A
F
----------
R
V
L
P
T
L
I
F
F
--
S
A
L
I
S
V
L
Y
Y
L
G
V
M
Q
-----
W
V
I
R
I
L
G
G
G
L
Q
K
A
L
G
T
S
R
A
E
S
M
S
A
A
-
A
N
I
F
V
G
Q
T
E
A
P
L
V
V
R
P
F
V
P
K
M
T
Q
S
E
L
F
A
V
M
C
G
G
L
A
S
I
A
G
G
V
L
A
G
Y
A
S
M
G
V
K
----
I
E
Y
L
V
A
A
S
F
M
A
A
P
G
G
L
L
F
A
K
L
M
M
P
E
T
E
K
P
Q
D
-------------KP
A
N
V
------
I
D
A
A
A
G
G
A
S
A
G
L
Q
L
A
L
N
V
G
A
M
L
I
A
F
I
G
L
I
A
L
I
N
G
M
L
G
G
I
G
G
W
F
G
M
P
E
L
K
L
E
M
L
L
G
W
L
F
A
P
L
A
F
L
I
G
V
P
W
N
E
A
T
V
A
G
E
F
I
G
L
---
K
T
V
A
N
E
F
V
A
Y
S
Q
F
A
P
Y
L
---
T
E
A
A
P
-------
V
V
L
S
E
K
T
K
A
I
I
S
F
A
L
C
G
F
A
N
L
S
S
I
A
I
L
L
G
G
L
G
S
L
A
P
K
R
R
G
D
I
A
R
M
G
V
K
A
V
I
A
G
T
L
S
N
L
M
A
A
T
I
A
G
F
F
L
----------------------------------------------------------------------------------
5
PsiBlast_PDB
97.60
39%
-132
- C4 -
4PD8
2
?
A:
[15-419]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
M
A
V
L
L
G
I
A
V
L
L
S
S
N
R
K
A
I
N
L
R
T
V
G
G
A
F
A
I
Q
F
S
L
G
A
F
I
L
Y
V
P
W
G
Q
E
L
L
R
G
F
S
D
A
V
S
N
V
I
N
Y
G
N
D
G
T
S
F
L
----
F
G
G
L
V
S
G
K
M
F
E
V
FGGGGFIF
A
F
----------
R
V
L
P
T
L
I
F
F
--
S
A
L
I
S
V
L
Y
Y
L
G
V
M
Q
-----
W
V
I
R
I
L
G
G
G
L
Q
K
A
L
G
T
S
R
A
E
S
M
S
A
A
-
A
N
I
F
V
G
Q
T
E
A
P
L
V
V
R
P
F
V
P
K
M
T
Q
S
E
L
F
A
V
M
C
G
G
L
A
S
I
A
G
G
V
L
A
G
Y
A
S
M
G
V
K
----
I
E
Y
L
V
A
A
S
F
M
A
A
P
G
G
L
L
F
A
K
L
M
M
P
E
T
E
K
P
Q
D
-------------KP
A
N
V
------
I
D
A
A
A
G
G
A
S
A
G
L
Q
L
A
L
N
V
G
A
M
L
I
A
F
I
G
L
I
A
L
I
N
G
M
L
G
G
I
G
G
W
F
G
M
P
E
L
K
L
E
M
L
L
G
W
L
F
A
P
L
A
F
L
I
G
V
P
W
N
E
A
T
V
A
G
E
F
I
G
L
---
K
T
V
A
N
E
F
V
A
Y
S
Q
F
A
P
Y
L
---
T
E
A
A
P
-------
V
V
L
S
E
K
T
K
A
I
I
S
F
A
L
C
G
F
A
N
L
S
S
I
A
I
L
L
G
G
L
G
S
L
A
P
K
R
R
G
D
I
A
R
M
G
V
K
A
V
I
A
G
T
L
S
N
L
M
A
A
T
I
A
G
F
F
L
----------------------------------------------------------------------------------
6
PsiBlast_PDB
97.56
39%
-131
- C4 -
4PD9
2
?
A:
[15-419]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
M
A
V
L
L
G
I
A
V
L
L
S
S
N
R
K
A
I
N
L
R
T
V
G
G
A
F
A
I
Q
F
S
L
G
A
F
I
L
Y
V
P
W
G
Q
E
L
L
R
G
F
S
D
A
V
S
N
V
I
N
Y
G
N
D
G
T
S
F
L
----
F
G
G
L
V
S
G
K
M
F
E
V
FGGGGFIF
A
F
----------
R
V
L
P
T
L
I
F
F
--
S
A
L
I
S
V
L
Y
Y
L
G
V
M
Q
-----
W
V
I
R
I
L
G
G
G
L
Q
K
A
L
G
T
S
R
A
E
S
M
S
A
A
-
A
N
I
F
V
G
Q
T
E
A
P
L
V
V
R
P
F
V
P
K
M
T
Q
S
E
L
F
A
V
M
C
G
G
L
A
S
I
A
G
G
V
L
A
G
Y
A
S
M
G
V
K
----
I
E
Y
L
V
A
A
S
F
M
A
A
P
G
G
L
L
F
A
K
L
M
M
P
E
T
E
K
P
Q
D
-------------KP
A
N
V
------
I
D
A
A
A
G
G
A
S
A
G
L
Q
L
A
L
N
V
G
A
M
L
I
A
F
I
G
L
I
A
L
I
N
G
M
L
G
G
I
G
G
W
F
G
M
P
E
L
K
L
E
M
L
L
G
W
L
F
A
P
L
A
F
L
I
G
V
P
W
N
E
A
T
V
A
G
E
F
I
G
L
---
K
T
V
A
N
E
F
V
A
Y
S
Q
F
A
P
Y
L
---
T
E
A
A
P
-------
V
V
L
S
E
K
T
K
A
I
I
S
F
A
L
C
G
F
A
N
L
S
S
I
A
I
L
L
G
G
L
G
S
L
A
P
K
R
R
G
D
I
A
R
M
G
V
K
A
V
I
A
G
T
L
S
N
L
M
A
A
T
I
A
G
F
F
L
----------------------------------------------------------------------------------
4
PsiBlast_PDB
97.45
39%
-131
- C4 -
4PD6
2
?
A:
[15-419]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
M
A
V
L
L
G
I
A
V
L
L
S
S
N
R
K
A
I
N
L
R
T
V
G
G
A
F
A
I
Q
F
S
L
G
A
F
I
L
Y
V
P
W
G
Q
E
L
L
R
G
F
S
D
A
V
S
N
V
I
N
Y
G
N
D
G
T
S
F
L
----
F
G
G
L
V
S
G
K
M
F
E
V
FGGGGFIF
A
F
----------
R
V
L
P
T
L
I
F
F
--
S
A
L
I
S
V
L
Y
Y
L
G
V
M
Q
-----
W
V
I
R
I
L
G
G
G
L
Q
K
A
L
G
T
S
R
A
E
S
M
S
A
A
-
A
N
I
F
V
G
Q
T
E
A
P
L
V
V
R
P
F
V
P
K
M
T
Q
S
E
L
F
A
V
M
C
G
G
L
A
S
I
A
G
G
V
L
A
G
Y
A
S
M
G
V
K
----
I
E
Y
L
V
A
A
S
F
M
A
A
P
G
G
L
L
F
A
K
L
M
M
P
E
T
E
K
P
Q
D
-------------KP
A
N
V
------
I
D
A
A
A
G
G
A
S
A
G
L
Q
L
A
L
N
V
G
A
M
L
I
A
F
I
G
L
I
A
L
I
N
G
M
L
G
G
I
G
G
W
F
G
M
P
E
L
K
L
E
M
L
L
G
W
L
F
A
P
L
A
F
L
I
G
V
P
W
N
E
A
T
V
A
G
E
F
I
G
L
---
K
T
V
A
N
E
F
V
A
Y
S
Q
F
A
P
Y
L
---
T
E
A
A
P
-------
V
V
L
S
E
K
T
K
A
I
I
S
F
A
L
C
G
F
A
N
L
S
S
I
A
I
L
L
G
G
L
G
S
L
A
P
K
R
R
G
D
I
A
R
M
G
V
K
A
V
I
A
G
T
L
S
N
L
M
A
A
T
I
A
G
F
F
L
----------------------------------------------------------------------------------
3
PsiBlast_PDB
97.33
39%
-132
- C4 -
4PD5
2
?
A:
[15-419]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
M
A
V
L
L
G
I
A
V
L
L
S
S
N
R
K
A
I
N
L
R
T
V
G
G
A
F
A
I
Q
F
S
L
G
A
F
I
L
Y
V
P
W
G
Q
E
L
L
R
G
F
S
D
A
V
S
N
V
I
N
Y
G
N
D
G
T
S
F
L
----
F
G
G
L
V
S
G
K
M
F
E
V
FGGGGFIF
A
F
----------
R
V
L
P
T
L
I
F
F
--
S
A
L
I
S
V
L
Y
Y
L
G
V
M
Q
-----
W
V
I
R
I
L
G
G
G
L
Q
K
A
L
G
T
S
R
A
E
S
M
S
A
A
-
A
N
I
F
V
G
Q
T
E
A
P
L
V
V
R
P
F
V
P
K
M
T
Q
S
E
L
F
A
V
M
C
G
G
L
A
S
I
A
G
G
V
L
A
G
Y
A
S
M
G
V
K
----
I
E
Y
L
V
A
A
S
F
M
A
A
P
G
G
L
L
F
A
K
L
M
M
P
E
T
E
K
P
Q
D
-------------KP
A
N
V
------
I
D
A
A
A
G
G
A
S
A
G
L
Q
L
A
L
N
V
G
A
M
L
I
A
F
I
G
L
I
A
L
I
N
G
M
L
G
G
I
G
G
W
F
G
M
P
E
L
K
L
E
M
L
L
G
W
L
F
A
P
L
A
F
L
I
G
V
P
W
N
E
A
T
V
A
G
E
F
I
G
L
---
K
T
V
A
N
E
F
V
A
Y
S
Q
F
A
P
Y
L
---
T
E
A
A
P
-------
V
V
L
S
E
K
T
K
A
I
I
S
F
A
L
C
G
F
A
N
L
S
S
I
A
I
L
L
G
G
L
G
S
L
A
P
K
R
R
G
D
I
A
R
M
G
V
K
A
V
I
A
G
T
L
S
N
L
M
A
A
T
I
A
G
F
F
L
----------------------------------------------------------------------------------
1
PsiBlast_PDB
97.33
39%
-132
- C4 -
4PB1
2
?
A:
[15-419]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
M
A
V
L
L
G
I
A
V
L
L
S
S
N
R
K
A
I
N
L
R
T
V
G
G
A
F
A
I
Q
F
S
L
G
A
F
I
L
Y
V
P
W
G
Q
E
L
L
R
G
F
S
D
A
V
S
N
V
I
N
Y
G
N
D
G
T
S
F
L
----
F
G
G
L
V
S
G
K
M
F
E
V
FGGGGFIF
A
F
----------
R
V
L
P
T
L
I
F
F
--
S
A
L
I
S
V
L
Y
Y
L
G
V
M
Q
-----
W
V
I
R
I
L
G
G
G
L
Q
K
A
L
G
T
S
R
A
E
S
M
S
A
A
-
A
N
I
F
V
G
Q
T
E
A
P
L
V
V
R
P
F
V
P
K
M
T
Q
S
E
L
F
A
V
M
C
G
G
L
A
S
I
A
G
G
V
L
A
G
Y
A
S
M
G
V
K
----
I
E
Y
L
V
A
A
S
F
M
A
A
P
G
G
L
L
F
A
K
L
M
M
P
E
T
E
K
P
Q
D
-------------KP
A
N
V
------
I
D
A
A
A
G
G
A
S
A
G
L
Q
L
A
L
N
V
G
A
M
L
I
A
F
I
G
L
I
A
L
I
N
G
M
L
G
G
I
G
G
W
F
G
M
P
E
L
K
L
E
M
L
L
G
W
L
F
A
P
L
A
F
L
I
G
V
P
W
N
E
A
T
V
A
G
E
F
I
G
L
---
K
T
V
A
N
E
F
V
A
Y
S
Q
F
A
P
Y
L
---
T
E
A
A
P
-------
V
V
L
S
E
K
T
K
A
I
I
S
F
A
L
C
G
F
A
N
L
S
S
I
A
I
L
L
G
G
L
G
S
L
A
P
K
R
R
G
D
I
A
R
M
G
V
K
A
V
I
A
G
T
L
S
N
L
M
A
A
T
I
A
G
F
F
L
----------------------------------------------------------------------------------
8
PsiBlast_PDB
97.23
39%
-131
- C4 -
3TIJ
6
?
A:
[15-419]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
M
A
V
L
L
G
I
A
V
L
L
S
S
N
R
K
A
I
N
L
R
T
V
G
G
A
F
A
I
Q
F
S
L
G
A
F
I
L
Y
V
P
W
G
Q
E
L
L
R
G
F
S
D
A
V
S
N
V
I
N
Y
G
N
D
G
T
S
F
L
----
F
G
G
L
V
S
G
K
M
F
E
V
FGGGGFIF
A
F
----------
R
V
L
P
T
L
I
F
F
--
S
A
L
I
S
V
L
Y
Y
L
G
V
M
Q
-----
W
V
I
R
I
L
G
G
G
L
Q
K
A
L
G
T
S
R
A
E
S
M
S
A
A
-
A
N
I
F
V
G
Q
T
E
A
P
L
V
V
R
P
F
V
P
K
M
T
Q
S
E
L
F
A
V
M
C
G
G
L
A
S
I
A
G
G
V
L
A
G
Y
A
S
M
G
V
K
----
I
E
Y
L
V
A
A
S
F
M
A
A
P
G
G
L
L
F
A
K
L
M
M
P
E
T
E
K
P
Q
D
-------------KP
A
N
V
------
I
D
A
A
A
G
G
A
S
A
G
L
Q
L
A
L
N
V
G
A
M
L
I
A
F
I
G
L
I
A
L
I
N
G
M
L
G
G
I
G
G
W
F
G
M
P
E
L
K
L
E
M
L
L
G
W
L
F
A
P
L
A
F
L
I
G
V
P
W
N
E
A
T
V
A
G
E
F
I
G
L
---
K
T
V
A
N
E
F
V
A
Y
S
Q
F
A
P
Y
L
---
T
E
A
A
P
-------
V
V
L
S
E
K
T
K
A
I
I
S
F
A
L
C
G
F
A
N
L
S
S
I
A
I
L
L
G
G
L
G
S
L
A
P
K
R
R
G
D
I
A
R
M
G
V
K
A
V
I
A
G
T
L
S
N
L
M
A
A
T
I
A
G
F
F
L
----------------------------------------------------------------------------------
7
PsiBlast_PDB
97.16
39%
-132
- C4 -
4PDA
2
?
A:
[15-419]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
M
A
V
L
L
G
I
A
V
L
L
S
S
N
R
K
A
I
N
L
R
T
V
G
G
A
F
A
I
Q
F
S
L
G
A
F
I
L
Y
V
P
W
G
Q
E
L
L
R
G
F
S
D
A
V
S
N
V
I
N
Y
G
N
D
G
T
S
F
L
----
F
G
G
L
V
S
G
K
M
F
E
V
FGGGGFIF
A
F
----------
R
V
L
P
T
L
I
F
F
--
S
A
L
I
S
V
L
Y
Y
L
G
V
M
Q
-----
W
V
I
R
I
L
G
G
G
L
Q
K
A
L
G
T
S
R
A
E
S
M
S
A
A
-
A
N
I
F
V
G
Q
T
E
A
P
L
V
V
R
P
F
V
P
K
M
T
Q
S
E
L
F
A
V
M
C
G
G
L
A
S
I
A
G
G
V
L
A
G
Y
A
S
M
G
V
K
----
I
E
Y
L
V
A
A
S
F
M
A
A
P
G
G
L
L
F
A
K
L
M
M
P
E
T
E
K
P
Q
D
-------------KP
A
N
V
------
I
D
A
A
A
G
G
A
S
A
G
L
Q
L
A
L
N
V
G
A
M
L
I
A
F
I
G
L
I
A
L
I
N
G
M
L
G
G
I
G
G
W
F
G
M
P
E
L
K
L
E
M
L
L
G
W
L
F
A
P
L
A
F
L
I
G
V
P
W
N
E
A
T
V
A
G
E
F
I
G
L
---
K
T
V
A
N
E
F
V
A
Y
S
Q
F
A
P
Y
L
---
T
E
A
A
P
-------
V
V
L
S
E
K
T
K
A
I
I
S
F
A
L
C
G
F
A
N
L
S
S
I
A
I
L
L
G
G
L
G
S
L
A
P
K
R
R
G
D
I
A
R
M
G
V
K
A
V
I
A
G
T
L
S
N
L
M
A
A
T
I
A
G
F
F
L
----------------------------------------------------------------------------------
9
PsiBlast_PDB
96.98
39%
-132
- C4 -
4PD7
2
?
A:
[15-419]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
M
A
V
L
L
G
I
A
V
L
L
S
S
N
R
K
A
I
N
L
R
T
V
G
G
A
F
A
I
Q
F
S
L
G
A
F
I
L
Y
V
P
W
G
Q
E
L
L
R
G
F
S
D
A
V
S
N
V
I
N
Y
G
N
D
G
T
S
F
L
----
F
G
G
L
V
S
G
K
M
F
E
V
FGGGGFIF
A
F
----------
R
V
L
P
T
L
I
F
F
--
S
A
L
I
S
V
L
Y
Y
L
G
V
M
Q
-----
W
V
I
R
I
L
G
G
G
L
Q
K
A
L
G
T
S
R
A
E
S
M
S
A
A
-
A
N
I
F
V
G
Q
T
E
A
P
L
V
V
R
P
F
V
P
K
M
T
Q
S
E
L
F
A
V
M
C
G
G
L
A
S
I
A
G
G
V
L
A
G
Y
A
S
M
G
V
K
----
I
E
Y
L
V
A
A
S
F
M
A
A
P
G
G
L
L
F
A
K
L
M
M
P
E
T
E
K
P
Q
D
-------------KP
A
N
V
------
I
D
A
A
A
G
G
A
S
A
G
L
Q
L
A
L
N
V
G
A
M
L
I
A
F
I
G
L
I
A
L
I
N
G
M
L
G
G
I
G
G
W
F
G
M
P
E
L
K
L
E
M
L
L
G
W
L
F
A
P
L
A
F
L
I
G
V
P
W
N
E
A
T
V
A
G
E
F
I
G
L
---
K
T
V
A
N
E
F
V
A
Y
S
Q
F
A
P
Y
L
---
T
E
A
A
P
-------
V
V
L
S
E
K
T
K
A
I
I
S
F
A
L
C
G
F
A
N
L
S
S
I
A
I
L
L
G
G
L
G
S
L
A
P
K
R
R
G
D
I
A
R
M
G
V
K
A
V
I
A
G
T
L
S
N
L
M
A
A
T
I
A
G
F
F
L
----------------------------------------------------------------------------------
28
Fugue
58.30
10%
-86
- C3 -
3OC3
1
?
A:
[33-800]
--
L
N
T
A
Q
S
K
V
L
K
G
Y
T
T
D
E
L
V
S
Q
I
K
E
Y
V
D
F
T
P
Y
I
L
K
Q
T
Y
R
L
L
C
G
Q
A
S
E
D
R
R
N
G
A
R
I
L
R
S
L
M
F
Q
F
K
L
V
T
D
F
KIEYKESS
S
I
Y
L
SSTG
E
Q
F
N
V
Q
A
P
S
I
Q
E
Q
K
R
M
V
R
K
I
A
KLEHVEANFLSDIDFKAGSP
I
E
N
V
L
D
F
F
E
Q
I
S
D
N
L
L
S
Y
E
W
Y
K
R
H
G
A
F
L
A
F
A
A
M
F
S
E
I
D
I
Q
I
R
V
D
S
K
L
F
S
K
I
Y
E
I
L
V
T
DKFNDF
V
D
D
R
T
V
A
P
V
R
D
A
A
A
Y
L
L
S
R
I
Y
P
L
I
G
P
N
D
I
I
E
Q
L
V
G
F
L
D
S
G
D
W
Q
V
Q
F
S
G
L
I
A
L
G
Y
L
K
E
F
V
E
D
K
D
G
L
C
R
K
L
V
S
L
L
S
S
P
D
E
D
I
K
L
L
S
A
E
L
L
C
H
F
P
I
T
D
S
L
D
L
V
L
E
K
C
W
K
N
I
E
S
E
E
L
I
S
V
S
K
T
S
N
L
S
L
L
T
K
I
Y
R
E
N
PELS
I
P
P
E
R
L
K
D
I
F
----------
P
C
F
T
SPV
P
E
V
R
T
S
I
L
N
M
V
K
N
L
SE
E
S
I
D
F
L
V
A
E
V
V
L
I
E
EK
D
E
I
R
E
M
A
I
K
L
L
K
K
R
R
D
L
P
K
N
L
I
L
H
F
M
N
V
I
G
G
S
L
Y
E
P
Y
S
E
D
D
F
V
S
Y
E
D
L
Y
F
T
K
S
G
I
N
V
V
G
K
D
E
I
L
K
N
R
C
L
L
F
E
C
I
M
K
S
G
L
P
DLQS
T
I
E
T
T
T
S
R
T
F
I
S
L
Y
R
S
V
Q
A
L
V
K
D
T
P
Y
T
P
A
N
I
E
E
L
E
Y
Y
F
D
R
C
K
D
L
--
K
M
A
P
L
K
E
F
K
K
K
L
S
A
P
G
I
R
S
I
H
P
M
V
D
P
L
Y
S
D
Y
T
R
M
V
A
S
I
E
F
--
P
G
L
E
R
A
T
A
L
F
E
V
E
T
C
K
Q
F
L
H
L
F
S
K
M
I
T
E
Y
Y
D
A
E
K
I
S
I
D
N
F
L
L
K
A
Y
E
G
L
A
S
G
K
D
G
F
L
S
F
F
E
V
F
N
T
R
L
L
A
H
S
F
F
H
K
I
G
S
L
E
N
R
L
D
F
F
S
K
T
I
H
I
Y
T
K
T
S
Q
I
Q
K
I
G
F
V
F
D
D
A
L
R
E
K
N
I
T
V
I
N
G
F
M
R
S
L
E
F
N
E
K
F
V
R
K
A
L
E
D
L
D
V
E
L
L
D
A
V
L
M
S
G
D
H
S
F
N
P
L
F
V
K
P
L
L
R
N
I
S
G
N
I
D
R
E
A
S
S
K
V
L
S
K
V
I
P
T
L
G
F
S
T
N
T
K
I
S
K
D
L
L
E
M
I
E
R
E
K
K
S
L
E
S
L
---------------------
26
Fugue
41.88
11%
171
- C4 -
3Q8T
-
BECN1_RAT
A:
[172-265]
---
G
S
D
S
E
Q
L
Q
R
E
L
K
E
L
A
L
E
E
E
R
L
I
Q
E
L
E
D
V
E
K
N
R
K
V
V
A
E
N
L
E
K
V
Q
A
E
A
E
R
L
D
Q
E
E
A
Q
Y
Q
R
E
Y
S
E
--------------------
F
K
R
Q
Q
L
E
L
D
D
E
L
K
S
V
E
N
Q
M
R
Y
--------------------
A
Q
M
Q
L
D
K
L
K
K
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
Fugue
41.35
17%
317
- C4 -
2K6I
-
Y223_METJA
A:
[1-47]
--------------------------------------
M
G
V
S
V
M
E
A
I
K
E
V
K
L
A
E
E
Q
A
V
K
E
I
E
E
A
K
--------------------
N
R
A
E
Q
I
K
A
E
A
I
E
E
A
K
K
L
I
A
C
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
Fugue
40.95
13%
248
- C4 -
3QH9
1
A:
[14-79]
--------------------
Q
E
E
K
Q
R
K
A
E
E
L
L
Q
E
L
R
H
L
K
I
K
V
E
E
L
E
N
E
R
N
Q
Y
E
W
K
L
K
A
T
K
A
E
V
A
Q
--------------------
L
Q
E
Q
V
A
L
K
D
A
E
I
E
R
L
H
S
Q
L
S
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
Fugue
39.74
14%
267
- C4 -
1CI6
1
A:
[8-63]
----------------------------------
E
Q
N
K
T
A
A
T
R
Y
R
Q
K
K
R
A
E
Q
E
A
L
T
G
E
C
K
E
L
E
K
K
--------------------
N
E
A
L
K
E
R
A
D
S
L
A
K
E
I
Q
Y
L
K
D
L
--------------------
I
E
E
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
Fugue
39.66
9%
158
- C4 -
2NO2
-
HIP1_HUMAN
A:
[480-581]
G
S
H
A
D
L
L
R
K
N
A
E
V
T
K
Q
V
S
M
A
R
Q
A
Q
V
D
L
E
R
E
K
K
E
L
E
D
S
L
E
R
I
S
D
Q
G
Q
R
K
T
Q
E
Q
L
E
V
L
E
S
L
K
Q
E
L
A
T
--------------------
S
Q
R
E
L
Q
V
L
Q
G
S
L
E
T
S
A
Q
S
E
A
N
--------------------
W
A
A
E
F
A
E
L
E
K
E
R
D
S
L
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
Fugue
39.44
14%
268
* C4 *
1EQ7
-
LPP_ECOLI
A:
[1-56]
--------------------------------
S
S
N
A
K
I
D
Q
L
S
S
D
V
Q
T
L
N
A
K
V
D
Q
L
S
N
D
V
N
A
M
R
S
D
--------------------
V
Q
A
A
K
D
D
A
A
R
A
N
Q
R
L
D
N
M
A
T
K
--------------------
Y
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
Fugue
38.15
7%
349
- C4 -
1KIL
-
CPLX1_RAT
E:
[9-49]
------------------------------------------------
K
K
E
E
E
R
Q
E
A
L
R
Q
A
E
E
E
R
--------------------
K
A
K
Y
A
K
M
E
A
E
R
E
V
M
R
Q
G
I
R
D
K
--------------------
Y
G
I
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
HHSearch
37.19
24%
-141
- C4 -
3RLF
1
MALF_ECOLI
F:
[13-87]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
A
L
K
W
S
V
-
L
G
L
L
G
L
L
V
G
Y
L
V
V
L
M
Y
A
Q
G
-
E
Y
L
F
A
I
T
T
L
I
L
S
S
A
G
L
Y
I
F
A
N
-
R
K
A
Y
A
W
R
Y
V
Y
P
G
M
A
G
M
G
L
F
V
L
F
P
L
V
C
T
I
A
I
A
F
T
N
Y
S
S
T
N
Q
L
T
F
E
R
A
Q
E
V
L
L
D
R
S
----
W
Q
A
G
K
T
Y
N
F
G
----------
L
Y
----------
P
A
G
D
E
W
Q
L
A
--
L
S
D
G
E
T
G
K
N
Y
L
S
D
A
-----
F
K
F
G
G
E
Q
K
L
Q
L
K
E
T
T
A
Q
P
E
G
E
R
A
N
L
-
R
V
I
T
Q
N
R
Q
A
L
S
D
I
T
A
I
L
P
D
G
N
K
V
M
M
S
S
L
R
Q
F
S
G
T
Q
P
L
Y
T
L
D
G
D
G
T
L
T
N
N
Q
S
----
G
V
K
Y
R
P
N
N
Q
I
G
F
Y
Q
S
I
N
W
G
D
E
K
L
S
P
G
Y
T
V
T
T
G
W
K
N
F
T
R
V
F
T
D
E
G
--
I
Q
K
------
P
F
L
A
I
F
V
W
T
V
V
F
S
L
I
T
V
F
L
T
V
A
V
G
M
V
L
A
C
L
V
Q
W
E
A
L
R
G
K
A
V
Y
R
V
L
L
I
L
P
Y
A
V
P
S
F
I
S
I
L
I
F
K
G
L
F
N
Q
S
F
G
E
I
N
M
M
L
S
A
L
F
G
---
V
K
P
A
W
F
S
D
P
T
T
A
R
T
M
L
I
I
V
N
T
W
L
G
Y
P
Y
M
M
I
L
C
M
G
L
L
K
A
I
P
D
D
L
Y
E
A
S
A
M
D
G
A
G
P
F
Q
N
F
F
K
I
T
L
P
L
L
I
K
P
L
T
P
L
M
I
A
S
F
A
F
N
F
N
N
F
V
L
I
Q
L
L
T
N
G
G
P
D
R
L
G
T
T
T
P
A
G
Y
T
D
L
L
V
N
Y
T
Y
R
I
A
F
E
G
G
G
G
Q
D
F
G
L
A
A
A
I
A
----
T
L
I
F
L
L
V
G
A
L
A
I
-------------------------------
13
HHSearch
35.18
17%
290
- C4 -
1RH5
-
SECE_METJA
B:
[29-58]
------------------------------------------------------------------------------------------------------------------------------------
T
K
D
E
Y
L
A
V
A
K
V
T
A
L
G
I
S
L
L
G
I
I
G
Y
I
I
H
V
P
A
T
Y
I
K
G
I
-
L
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------