@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 : SC5A9_HUMAN: (2015-12-11 )
MSKELAAMGPGASGDGVRTETAPHIALDSRVGLHAYDISVVVIYFVFVIAVGIWSSIRASRGTIGGYFLAGRSMSWWPIGASLMSSNVGSGLFIGLAGTGAAGGLAVGGFEWNATWLLLALGWVFVPVYIAAGVVTMPQYLKKRFGGQRIQVYMSVLSLILYIFTKISTDIFSGALFIQMALGWNLYLSTGILLVVTAVYTIAGGLMAVIYTDALQTVIMVGGALVLMFLGFQDVGWYPGLEQRYRQAIPNVTVPNTTCHLPRPDAFHILRDPVSGDIPWPGLIFGLTVLATWCWCTDQVIVQRSLSAKSLSHAKGGSVLGGYLKILPMFFIVMPGMISRALFPDEVGCVDPDVCQRICGARVGCSNIAYPKLVMALMPVGLRGLMIAVIMAALMSSLTSIFNSSSTLFTIDVWQRFRRKSTEQELMVVGRVFVVFLVVISILWIPIIQSSNSGQLFDYIQAVTSYLAPPITALFLLAIFCKRVTEPGAFWGLVFGLGVGLLRMILEFSYPAPACGEVDRRPAVLKDFHYLYFAILLCGLTAIVIVIVSLCTTPIPEEQLTRLTWWTRNCPLSELEKEAHESTPEISERPAGECPAGGGAAENSSLGQEQPEAPSRSWGKLLWSWFCGLSGTPEQALSPAEKAALEQKLTSIEEEPLWRHVCNINAVLLLAINIFLWGYFA
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSK
E
L
AAMGPGASGDGVRTETAP
H
I
A
LDSRVG
L
H
A
Y
D
I
S
V
V
V
I
Y
F
V
F
V
I
A
V
G
I
W
S
S
I
R
ASRGTI
G
G
Y
F
LAGRSM
S
W
WPI
G
A
S
L
M
SSNVG
S
G
L
F
I
G
L
AGTGA-AG
G
L
A
V
G
-
G
FEWN-
A
T
W
L
L
L
A
L
G
W
V
F
V
P
V
---
Y
I
A
A
-
G
V
V
T
--
M
P
Q
Y
L
K
K
RFGG
Q
R
I
Q
V
Y
M
S
V
L
S
L
I
L
Y
I
F
T
K
I
S
T
D
IFS
G
A
L
F
I
Q
M
ALG
W
-----
N
--
L
Y
L--ST
G
I
L
L
V
V
T
A
V
Y
T
I
A
G
G
L
M
A
V
I
Y
T
D
A
L
Q
T
V
I
M
V
G
G
A
-----
L
V
L
M
F
L
GFQDVGW-YP
G
L
E
Q
R
Y
R
Q
AIPNVTVPNTTCHLPRP
D
A
F
H
I
LRDPVSG---D-IPW
P
G
---
L
I
F
-
G
L
T
V
L
A
T
W
C
WC
T
D
Q
V
I
V
Q
RSLS--------AKSLSHAKGG
S
V
L
G
G
Y
L
K
I
L
P
M
F
F
I
VM
P
G
M
I
S
RALFPDEVGCV
D
P
D
V
C
Q
R
I
CGARVGCSNI
A
Y
P
K
L
V
M
A
L
M
P
V
G
L
R
G
L
M
I
A
V
I
M
A
A
L
M
S
S
L
-
T
S
I
FNSSS
T
L
F
T
I
D
V
W
Q
R
-
F
-
R
RKS
T
E
Q
E
L
M
V
V
G
R
V
F
V
V
F
L
V
V
I
S
I
L
W
I
P
IIQSSNS
G
Q
L
F
D
Y
I
Q
A
V
T
S
YLA
P
P
I
T
A
L
F
L
L
A
I
F
C
K
RVT---------E-------P
G
----
A
F
W
G
L
V
F
G
L
G
V
G
L
L
R
M
I
L
EFSYPAPACGEVDRR
P
A
V
L
K
D
F
H
Y
L
Y
F
A
I
L
L
C
G
L
T
A
I
V
I
V
I
V
S
L
CTTPI
P
E
E
Q
L
T
R
L
T
W
WTRNC
P
L
S
E
L
E
K
E
AHESTPEISERPAGECPAGGGAAENSSLGQEQPEAP
S
R
S
W
G
K
L
L
W
S
W
FCGLSGT
P
E
QALS
P
A
E
K
A
A
L
E
Q
K
L
T
S
IEEE
P
L
W
R
H
V
CN
I
N
A
V
L
L
L
A
I
N
I
F
L
W
G
YFA
21
HHSearch
91.64
31%
-143
- C1 -
2XQ2
3
SGLT_VIBPH
A:
[9-514]
---------------------------------
S
F
I
D
I
M
V
F
A
I
Y
V
A
I
I
I
G
V
G
L
W
V
S
-----------------
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
M
-
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
--
I
P
E
F
V
E
K
R
F
N
K
K
-
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
Y
G
G
---
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
-----
F
M
T
T
Y
M
A
V
S
F
I
G
G
-
T
D
G
W
F
A
G
V
S
K
M
V
D
A
-----------
A
P
G
H
F
E
M
I
L
D
Q
S
N
P
QYM
N
-
L
P
G
I
A
---
V
L
I
G
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
A
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
-----
N
L
P
S
A
A
N
A
D
K
A
Y
P
W
L
T
-
Q
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
Y
I
-
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
A
L
I
A
P
M
L
G
G
--
I
G
Q
C
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
------------------
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
-
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
N
A
D
A
E
I
T
L
I
I
F
G
V
M
A
G
V
I
G
T
I
L
L
I
S
Y
G
I
K
--------------------------------------------------------
1
PsiBlast_PDB
86.92
33%
-139
- C1 -
2XQ2
3
SGLT_VIBPH
A:
[9-478]
---------------------------------
S
F
I
D
I
M
V
F
A
I
Y
V
A
I
I
I
G
V
G
L
W
V
S
-----------------
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
M
-
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
--
I
P
E
F
V
E
K
R
F
-
N
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
Y
G
G
---
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
F
M
T
T
Y
M
A
V
S
F
I
G
G
T
D
-
G
W
-
F
A
G
V
S
K
M
V
D
A
A
---------------
P
G
H
F
E
M
I
L
D
Q
S
N
P
---
Q
Y
M
N
L
P
G
IAV
L
I
G
-
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
A
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
-----
N
L
P
S
A
A
N
A
D
K
A
Y
P
W
L
T
Q
-
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
-
Y
I
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
A
L
I
A
P
M
L
--
G
G
I
G
Q
C
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
N
A
D
A
E
I
T
L
I
I
F
G
V
M
A
G
V
I
G
T
I
L
L
I
S
Y
G
I
K
---------------------------------------------------------------------------
31
Fugue
76.38
28%
-92
- C1 -
3DH4
1
?
A:
[52-518]
---------------------------------------------------------------------
A
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
M
-
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
--
I
P
E
F
V
E
K
R
F
N
-
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
------
I
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
-----
F
M
T
T
Y
M
A
V
S
F
I
G
G
-
T
D
G
W
F
A
G
V
S
K
M
V
D
A
A
--------
P
G
H
F
E
M
I
L
D
Q
S
N
P
Q
Y
M
---
N
-
L
P
G
I
A
---
V
L
I
G
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
D
I
A
A
T
N
L
P
S
A
A
N
A
D
K
A
Y
P
W
L
T
Q
-
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
-
Y
I
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
C
L
I
A
P
M
L
G
G
I
--
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
------------------
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
-----------------------------------------------------------------------------------
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
18
PsiBlast_CBE
70.82
32%
-86
- C1 -
3DH4
1
?
D:
[52-449]
---------------------------------------------------------------------
A
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
M
-
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
--
I
P
E
F
V
E
K
R
F
-
N
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
------
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
FMTTY
M
A
V
S
F
I
G
G
T
D
-
G
W
-
F
A
G
V
S
K
M
V
D
A
A
---------------
P
G
H
F
E
M
I
L
D
Q
S
N
P
---
Q
Y
M
N
L
P
G
IAV
L
I
G
-
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
D
I
A
A
T
N
L
P
S
A
A
N
A
D
K
A
Y
P
W
L
T
Q
-
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
-
Y
I
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
C
L
I
A
P
M
L
--
G
G
I
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
-----------------------------------------------------------------------------------------------------
20
PsiBlast_CBE
70.70
32%
-85
- C1 -
3DH4
1
?
B:
[52-449]
---------------------------------------------------------------------
A
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
M
-
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
--
I
P
E
F
V
E
K
R
F
-
N
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
------
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
FMTTY
M
A
V
S
F
I
G
G
T
D
-
G
W
-
F
A
G
V
S
K
M
V
D
A
A
---------------
P
G
H
F
E
M
I
L
D
Q
S
N
P
---
Q
Y
M
N
L
P
G
IAV
L
I
G
-
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
D
I
A
A
T
N
L
P
S
A
A
N
A
D
K
A
Y
P
W
L
T
Q
-
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
-
Y
I
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
C
L
I
A
P
M
L
--
G
G
I
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
-----------------------------------------------------------------------------------------------------
19
PsiBlast_CBE
70.68
32%
-86
- C1 -
3DH4
1
?
C:
[52-449]
---------------------------------------------------------------------
A
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
M
-
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
--
I
P
E
F
V
E
K
R
F
-
N
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
------
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
FMTTY
M
A
V
S
F
I
G
G
T
D
-
G
W
-
F
A
G
V
S
K
M
V
D
A
A
---------------
P
G
H
F
E
M
I
L
D
Q
S
N
P
---
Q
Y
M
N
L
P
G
IAV
L
I
G
-
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
D
I
A
A
T
N
L
P
S
A
A
N
A
D
K
A
Y
P
W
L
T
Q
-
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
-
Y
I
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
C
L
I
A
P
M
L
--
G
G
I
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
-----------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
70.34
32%
-86
- C1 -
3DH4
1
?
A:
[52-449]
---------------------------------------------------------------------
A
G
K
S
L
P
W
W
A
V
G
A
S
L
I
A
A
N
I
S
A
E
Q
F
I
G
M
S
G
S
G
Y
-
S
I
G
L
A
I
A
-
S
Y
E
W
M
-
S
A
I
T
L
I
I
V
G
K
Y
F
L
P
I
---
F
I
E
K
-
G
I
Y
T
--
I
P
E
F
V
E
K
R
F
-
N
K
K
L
K
T
I
L
A
V
F
W
I
S
L
Y
I
F
V
N
L
T
S
V
L
Y
L
G
G
L
A
L
E
T
I
L
G
I
-----
P
--
L
M
Y
--
S
I
L
G
L
A
L
F
A
L
V
Y
S
I
------
V
V
W
T
D
V
I
Q
V
F
F
L
V
L
G
G
F
M
T
T
Y
M
A
V
S
F
I
G
G
T
D
-
G
W
-
F
A
G
V
S
K
M
V
D
A
A
---------------
P
G
H
F
E
M
I
L
D
Q
S
N
P
---
Q
Y
M
N
L
P
G
IAV
L
I
G
-
G
L
W
V
A
N
L
Y
Y
W
G
F
N
Q
Y
I
I
Q
R
T
L
A
--------
A
K
S
V
S
E
A
Q
K
G
I
V
F
A
A
F
L
K
L
I
V
P
F
L
V
V
L
P
G
I
A
A
Y
V
I
T
S
D
P
Q
L
M
A
S
L
G
D
I
A
A
T
N
L
P
S
A
A
N
A
D
K
A
Y
P
W
L
T
Q
-
F
L
P
V
G
V
K
G
V
V
F
A
A
L
A
A
A
I
V
S
S
L
-
A
S
M
L
N
S
T
A
T
I
F
T
M
D
I
Y
K
E
-
Y
I
S
P
D
S
G
D
H
K
L
V
N
V
G
R
T
A
A
V
V
A
L
I
I
A
C
L
I
A
P
M
L
--
G
G
I
G
Q
A
F
Q
Y
I
Q
E
Y
T
G
L
V
S
P
G
I
L
A
V
F
L
L
G
L
F
W
K
K
T
T
---------
S
-------
K
G
----
A
I
I
G
V
V
A
S
I
P
F
A
L
F
L
K
F
M
P
L
S
M
P
F
M
D
Q
M
L
Y
T
L
L
F
T
M
V
V
I
A
F
T
S
L
S
T
S
I
N
D
D
D
P
K
G
I
S
V
T
S
S
M
F
V
T
D
R
S
F
N
I
A
A
Y
G
I
M
I
V
L
A
V
L
Y
T
L
F
W
V
L
Y
K
-----------------------------------------------------------------------------------------------------
23
HHSearch
54.43
13%
-125
- C1 -
2JLN
-
?
A:
[22-454]
--------------------------------------------------------------------
Y
A
E
R
S
V
G
P
F
S
L
A
A
I
W
F
A
M
A
I
Q
V
A
I
F
I
A
A
G
Q
--
M
-
T
S
S
F
Q
V
W
-
Q
V
I
V
A
-
I
A
A
G
C
T
I
A
V
I
L
L
F
F
T
Q
S
A
A
I
R
W
-
G
-
I
N
--
F
T
V
A
A
R
M
P
F
G
I
R
-
G
S
L
I
P
I
T
L
K
A
L
L
S
-
L
F
W
F
G
F
Q
T
W
L
G
A
L
A
L
D
E
I
T
R
L
L
TGFT
N
--
L
P
L
--
W
I
V
I
F
G
A
I
Q
V
V
T
T
-
F
Y
G
I
T
F
I
R
W
M
N
V
F
A
S
P
V
L
L
A
M
G
-----
V
Y
M
V
Y
L
M
L
D
G
A
D
V
S
L
G
E
V
M
S
M
G
----
G
E
-----------------------
N
P
---
G
-
M
P
F
S
T
----
A
I
-
M
I
F
V
G
G
W
I
A
V
V
V
S
I
H
D
I
V
K
E
C
K
VDPNAS
R
E
G
Q
T
K
A
D
A
R
Y
A
T
A
-
Q
W
L
G
M
V
P
A
S
I
I
F
G
F
I
G
A
A
S
M
V
L
V
G
E
------------------
W
N
P
V
I
A
I
T
E
V
V
G
G
-
V
S
I
P
M
A
I
L
F
Q
V
F
V
L
L
A
T
W
S
T
N
P
A
A
N
L
L
S
P
A
Y
T
L
C
S
-
T
F
P
R
-
V
-
F
T
---------
F
K
T
G
-
V
I
V
S
A
V
V
G
L
L
M
M
P
W
--
Q
F
--
A
G
V
L
N
T
F
L
N
L
L
A
S
A
L
G
P
L
A
G
I
M
I
S
D
Y
F
L
V
R
R
R
RIS
L
H
D
L
Y
R
T
KGIYTYW
R
G
VN
W
V
A
L
A
V
Y
A
V
A
L
A
V
S
F
L
T
P
D
--------------------------
L
M
F
V
T
G
L
I
A
A
L
L
L
H
I
P
A
M
R
W
V
A
K
T
F
P
L
F
S
E
A
E
S
R
N
E
D
Y
L
R
P
I
G
P
----------------------------------------------------------------------------------------------------------
24
HHSearch
31.29
15%
-86
- C1 -
3L1L
2
ADIC_ECO57
A:
[8-169]
-----------------------------------------------------------------------
H
K
V
G
L
I
P
V
T
L
M
V
S
G
A
I
M
G
S
G
V
F
L
L
-
P
A
N
L
A
-
S
T
G
G
I
A
I
Y
G
W
L
V
T
-
I
I
G
A
-
L
G
L
S
M
V
Y
A
K
M
---
S
F
L
D
P
S
P
G
G
--
S
Y
A
Y
A
R
R
C
F
G
P
-
F
L
G
Y
Q
T
N
V
L
Y
W
L
A
C
W
-
I
G
N
I
A
M
V
V
I
G
V
G
Y
L
S
Y
F
F
P
I
-----
L
KD
P
W
V
L
T
I
T
C
V
V
V
L
W
I
F
V
L
L
N
I
V
G
P
K
M
I
T
R
V
Q
A
V
A
T
V
L
A
L
I
P
I
-----
V
G
I
A
V
F
G
W
F
W
F
R
G
-
E
T
Y
M
A
A
I
Q
S
T
L
N
V
T
L
W
S
F
I
G
V
E
S
A
S
V
A
A
G
V
V
K
N
P
K
R
N
V
P
---
I
-
A
T
I
G
G
---
V
L
I
-
A
A
V
C
Y
V
L
S
T
T
A
I
M
G
M
I
P
N
A
A
L
R
--------
V
S
A
S
P
F
G
D
A
A
R
M
A
L
G
D
T
A
G
A
I
V
S
F
C
A
A
A
G
C
L
G
S
L
G
G
W
T
L
L
A
G
Q
T
A
K
A
A
A
D
D
G
L
F
P
P
I
F
A
R
V
N
K
A
G
T
P
V
A
G
L
I
I
V
G
I
L
M
T
I
F
Q
L
S
S
I
S
P
N
A
T
-
K
E
F
G
L
V
S
S
V
S
V
I
F
T
L
V
P
Y
-
L
-
Y
T
C
A
A
L
L
L
L
G
H
G
H
F
G
K
A
R
P
A
Y
L
A
V
T
T
I
A
F
L
Y
C
I
W
A
V
V
G
S
G
A
K
E
V
M
W
S
F
V
T
L
M
V
I
T
A
M
Y
A
L
N
Y
N
R
L
H
K
N
---------
P
-------
Y
P
----
L
D
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
31.06
15%
-76
- C1 -
3GIA
3
Y609_METJA
A:
[6-166]
-----------------------------------------------------------------------
K
K
L
S
L
W
E
A
V
S
M
A
V
G
V
M
I
G
A
S
I
F
S
I
-
F
G
V
G
A
K
I
A
G
R
N
-
L
-
P
E
T
F
I
L
S
G
I
Y
A
L
L
V
A
Y
S
Y
T
K
L
---
G
A
K
I
V
S
N
A
G
--
P
I
A
F
I
H
K
A
I
G
D
N
I
I
T
G
A
L
S
I
L
L
W
M
S
Y
V
-
I
S
I
A
L
F
A
K
G
F
A
G
Y
F
L
P
L
I
N
A
-----
P
IN
T
F
N
I
A
I
T
E
I
G
I
V
A
F
F
T
A
L
N
F
F
G
S
K
A
V
G
R
A
E
F
F
I
V
L
V
K
L
L
I
L
-----
G
L
F
I
F
A
G
L
I
T
I
H
P
-
S
Y
V
I
P
D
L
A
P
S
A
V
S
G
M
I
F
A
S
A
I
F
F
L
S
Y
M
G
F
G
V
I
T
N
A
S
E
H
I
---
E
-
N
P
K
K
N
---
V
P
R
-
A
I
F
I
S
I
L
I
V
M
F
V
Y
V
G
V
A
I
S
A
I
G
--------
N
L
P
I
D
E
L
I
K
A
S
E
N
A
L
A
V
A
A
K
P
F
L
G
N
L
G
F
L
L
I
S
I
G
A
L
F
S
I
S
S
A
M
N
A
T
I
Y
G
G
A
N
V
A
Y
S
L
A
K
D
G
E
L
P
E
F
F
E
R
K
V
W
F
K
S
T
E
G
L
Y
I
T
S
A
L
G
V
L
F
A
L
-
L
F
N
M
E
G
V
A
S
I
T
S
A
V
F
M
V
I
-
Y
-
L
F
V
I
L
S
H
Y
I
L
I
D
E
V
G
G
R
K
E
I
V
I
F
S
F
I
V
V
L
G
V
F
L
L
L
L
Y
Y
Q
W
I
T
N
R
F
V
F
Y
G
I
I
A
T
F
I
G
V
L
I
F
E
I
I
Y
R
K
V
T
---------
K
-------
R
T
----
F
S
N
N
M
Y
V
K
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
Fugue
30.07
21%
374
- C1 -
2JX6
-
DDSK_PHYDS
A:
[1-33]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
L
W
S
K
I
K
A
A
G
K
E
A
A
K
A
A
A
K
A
A
G
K
A
A
L
N
A
V
S
E
A
V
-------------------------
38
Fugue
29.91
29%
509
- C1 -
3TZ1
-
B:
[1-24]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
L
S
P
E
K
K
K
M
L
K
K
L
I
M
Q
K
A
A
E
D
L
A
N
----------------------
34
Fugue
29.90
12%
364
- C1 -
2L58
-
HRK_HUMAN
A:
[1-32]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
L
G
L
R
S
S
A
A
Q
L
T
A
A
R
L
K
A
L
G
D
E
L
H
Q
R
T
M
W
R
R
R
--------------------
6
PsiBlast_PDB
29.87
64%
777
- C2 -
2NQM
-
MOEA_ECOLI
A:
[285-301]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
F
G
K
L
S
N
S
W
F
C
G
L
P
G
N
P
V
S
A
T
L
T
F
Y
Q
L
V
Q
P
L
L
A
K
L
S
G
N
T
A
S
G
L
P
A
R
Q
R
V
R
T
A
S
R
L
K
K
T
P
G
R
L
D
F
Q
32
Fugue
29.78
35%
683
- C1 -
1O06
-
A:
[1-20]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
E
D
P
D
L
K
A
A
I
Q
E
S
L
R
E
A
E
E
A
--------------------------
40
Fugue
27.70
20%
391
- C1 -
1KD8
1
?
A:
[1-35]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
K
Q
L
E
A
E
V
E
E
I
E
S
E
V
W
H
L
E
N
E
V
A
R
L
E
K
E
N
A
E
C
E
A
----------------------------------------------------------------------------
39
Fugue
25.94
12%
148
- C1 -
1GRJ
-
?
?:
[2-79]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
A
I
P
M
T
L
R
G
A
E
K
L
R
E
E
L
D
F
L
K
S
V
R
R
P
E
I
I
A
A
I
A
E
A
R
E
H
G
--------
D
L
K
E
N
A
E
Y
H
A
A
R
E
Q
Q
G
F
C
E
G
R
I
K
D
I
E
A
K
L
S
N
A
Q
V
I
D
V
T
K
M
P
N
N
G
R
V
I
F
G
A
T
V
T
V
28
HHSearch
25.77
21%
314
- C1 -
3WU2
-
PSBJ_THEVL
J:
[7-34]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
I
P
L
W
I
V
A
T
V
A
G
M
G
V
I
V
I
V
G
L
F
F
Y
G
A
Y
A
36
Fugue
25.45
25%
402
* C1 *
5CMZ
-
?
B:
[2-33]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
T
W
E
E
W
D
K
K
I
E
E
L
I
K
K
S
E
E
L
I
K
K
I
E
E
Q
I
K
K
Q
E
---------------------------------------------------------------------------------------
3
PsiBlast_PDB
25.35
27%
-47
- C1 -
3NDN
-
METZ_MYCTU
A:
[17-85]
---------------------------------------------------------------------------------------------
V
S
Q
A
T
V
G
V
-
R
G
G
M
L
R
S
-
G
F
E
E
T
-
A
E
A
M
Y
L
T
S
G
Y
V
Y
G
S
A
---
A
V
A
E
-
K
S
F
A
GE
L
D
H
Y
V
Y
S
R
Y
G
N
P
T
V
S
V
F
E
E
R
L
R
L
I
E
G
A
P
A
A
F
A
T
A
S
G
M
A
A
V
F
T
S
L
G
A
L
L
-----
G
--
A
G
D
--
R
L
V
A
A
R
S
L
F
G
S
C
F
V
V
C
S
E
I
L
P
R
W
G
V
Q
T
V
F
V
D
G
D
D
L
S
-----
Q
W
E
R
A
L
S
V
P
T
Q
A
V
-
F
F
E
T
P
S
N
P
M
Q
S
L
V
D
I
A
A
V
T
E
L
A
H
A
A
G
A
K
V
V
L
D
N
V
F
A
T
P
L
---
L
-
Q
Q
G
F
P
---
L
G
V
-
D
V
V
V
Y
S
G
T
K
H
I
D
G
Q
G
R
V
L
G
G
A
I
--------
L
G
D
R
E
Y
I
D
G
P
V
Q
K
L
M
R
H
T
G
P
A
M
S
A
F
N
A
W
V
L
L
K
G
L
E
T
L
A
I
R
V
Q
H
S
N
A
S
A
Q
R
I
A
E
F
L
N
G
H
P
S
V
R
W
V
R
Y
P
Y
L
P
S
H
P
Q
Y
D
L
A
K
R
Q
M
S
G
G
G
T
V
V
T
F
-
A
L
D
C
P
E
D
V
A
K
Q
R
A
F
E
V
L
D
-
K
-
M
R
L
I
D
I
S
N
N
L
G
D
A
K
S
L
V
T
H
P
A
T
T
T
H
R
A
M
G
P
E
G
R
A
A
I
G
L
G
D
G
V
V
R
I
S
V
G
L
E
D
T
D
D
L
I
A
D
I
D
R
A
L
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------