@TOME V2.3
(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 : bsu09300: (2016-06-14 )
MMNHQFSSLERDRMLTDMTKKTYDLFIIGGGITGAGTALDAASRGMKVALSEMQDFAAGTSSRSTKLVHGGLRYLKQFEVKMVAEVGKERAIVYENGPHVTTPEWMLLPFHKGGTFGSFTTSIGLRVYDFLAGVKKSERRSMLSAKETLQKEPLVKKDGLKGGGYYVEYRTDDARLTIEVMKEAVKFGAEPVNYSKVKELLYEKGKAVGVLIEDVLTKKEYKVYAKKIVNATGPWVDQLREKDHSKNGKHLQHTKGIHLVFDQSVFPLKQAVYFDTPDGRMVFAIPREGKTYVGTTDTVYKEALEHPRMTTEDRDYVIKSINYMFPELNITANDIESSWAGLRPLIHEEGKDPSEISRKDEIWTSDSGLITIAGGKLTGYRKMAEHIVDLVRDRLKEEGEKDFGPCKTKNMPISGGHVGGSKNLMSFVTAKTKEGIAAGLSEKDAKQLAIRYGSNVDRVFDRVEALKDEAAKRNIPVHILAEAEYSIEEEMTATPADFFVRRTGRLFFDINWVRTYKDAVIDFMSERFQWDEQAKNKHTENLNKLLHDAVVPLEQ
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...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MMNH
Q
F
S
S
L
E
R
D
R
M
L
T
D
MTKK
T
Y
D
L
F
I
I
GGGITGA
G
T
A
L
D
A
A
SRG
M
K
V
A
L
S
E
M
Q
D
F
AAGTSSRS
T
K
L
V
H
G
G
L
R
Y
L
K
-
Q
-
F
E
V
K
M
V
A
E
VGK
E
R
A
I
V
Y
ENGPH------V-TTP
E
W
M
L
L
P
FHK---GGTF---G
S
F
T
T
S
I
G
L
R
V
Y
D
F
L
AG-V
K
K
S
-
E
R
R
S
-
M
L
S
A
K
E
T
L
Q
-KE---PLVKKDGLKGG
G
Y
Y
V
-
E
Y
RTDD
A
R
L
T
I
E
V
M
K
E
A
V
KFGAEPV
N
Y
S
K
V
K
E
L
L
Y
EKG
K
A
V
G
V
L
I
E
D
V
L
T
K
K
E
Y
K
V
Y
A
K
K
I
VNATG
P
W
V
D
Q
L
R
E
KD-H-SKN-GKHLQHTK
G
I
H
L
-----
V
FDQSVFP
L
K
-
Q
A
V
Y
F
DT--PDG
R
M
V
F
A
IP--RE-G
K
-
T
--YVGT
T
D
T
V
Y
K
E
A
L
EHPRMTTE
D
R
D
Y
V
I
K
S
I
N
Y
MFPEL
N
I
T
A
N
D
I
E
S
S
W
AGL
R
P
L
I
-----------HEEGK
D
P
S
E
ISRKDEIWTS----D----S
G
L
I
T
IAG--G-KLT
G
Y
R
K
M
A
E
H
I
V
D
L
V
R
D
R
L
K
EEGE-KDFGPCKTKNMPISGGHVGG
S
K
N
L
M
S
F
V
T
-
A
-KTK
E
G
I
AAGLS
E
K
D
A
K
Q
L
A
IRYGS
N
V
D
R
V
F
D
R
V
E
----
A
L
K
D
E
A
AKRNI
P
V
H
I
L
AEAE--YS
I
E
E
EMTAT
P
A
D
F
F
V
RRT
G
R
L
F
F
D
I
N
W
V
R
T
Y
K
D
A
V
I
D
F
M
S
E
RFQ
W
D
E
Q
AKN
K
H
T
E
N
L
N
K
L
L
H
D
AVVPLEQ
1
PsiBlast_PDB
74.53
58%
-64
- C1 -
3DA1
1
?
A:
[2-547]
-----
F
S
A
K
K
R
D
K
C
I
G
E
M
S
E
K
Q
L
D
L
L
V
I
G
G
G
I
T
G
A
G
I
A
L
D
A
Q
V
R
G
I
Q
T
G
L
V
E
M
N
D
F
A
S
G
T
S
S
R
S
T
K
L
V
H
G
-----------------
V
G
K
E
R
A
I
V
Y
E
N
A
P
H
------
V
-
T
T
P
E
W
M
L
L
P
I
F
K
-----------------------------------
R
Y
-
M
L
N
E
K
Q
T
L
E
-
K
E
---
P
L
L
R
K
E
N
L
K
G
G
G
I
Y
V
-
E
Y
R
T
D
D
A
R
L
T
L
E
I
M
K
E
A
V
A
R
G
A
V
A
L
N
Y
M
K
V
E
S
F
I
Y
D
Q
G
K
V
V
G
V
V
A
K
D
R
L
T
D
T
T
H
T
I
Y
A
K
K
V
V
N
A
A
G
P
W
V
D
T
L
R
E
K
D
-
R
-
S
K
H
-
G
K
Y
L
K
L
S
K
G
V
H
L
-----
V
V
D
Q
S
R
F
P
L
R
-
Q
A
V
Y
F
D
T
E-
S
D
G
R
M
I
F
A
I
P
--
R
E
-
G
K
-
T
--
Y
I
G
T
T
D
T
F
Y
D
K
D
I
A
S
P
R
M
T
V
E
D
R
D
Y
I
L
A
A
A
N
Y
M
F
P
S
L
R
L
T
A
D
D
V
E
S
S
W
A
G
L
R
P
L
I
-----------
H
E
-----------
D
E
I
F
F
S
----
D
----
S
G
L
I
S
I
A
G
--
G
-
K
L
T
G
Y
R
K
M
A
E
R
T
V
D
A
V
-----
A
Q
G
L
-
N
V
N
E
P
C
T
T
A
A
I
R
L
S
G
G
L
A
E
G
A
Q
G
F
P
R
F
L
D
-
E
-
A
S
R
K
G
A
K
L
G
F
D
A
D
E
V
R
R
L
A
K
L
Y
G
S
N
V
D
H
V
L
N
Y
A
Y
----
E
G
K
E
E
A
E
H
Y
G
L
P
A
L
L
L
G
Q
L
Q
--
Y
G
V
E
Q
E
M
V
A
T
P
L
D
F
F
V
R
R
T
G
A
L
F
F
N
I
S
L
V
H
Q
W
K
E
A
V
L
R
W
M
A
E
E
F
S
W
T
E
E
E
K
T
R
F
Q
N
E
L
E
T
E
L
K
M
A
V
D
P
L
F
Q
81
HHSearch
72.75
59%
-65
- C1 -
3DA1
1
?
A:
[5-547]
--------
K
K
R
D
K
C
I
G
E
M
S
E
K
Q
L
D
L
L
V
I
G
G
G
I
T
G
A
G
I
A
L
D
A
Q
V
R
G
I
Q
T
G
L
V
E
M
N
D
F
A
S
G
T
S
S
R
S
T
K
L
V
H
G
-----------------
V
G
K
E
R
A
I
V
Y
E
N
A
P
H
------
V
-
T
T
P
E
W
M
L
L
P
I
F
K
-----------------------------------
R
Y
-
M
L
N
E
K
Q
T
L
E
-
K
E
---
P
L
L
R
K
E
N
L
K
G
G
G
I
Y
V
-
E
Y
R
T
D
D
A
R
L
T
L
E
I
M
K
E
A
V
A
R
G
A
V
A
L
N
Y
M
K
V
E
S
F
I
Y
D
Q
G
K
V
V
G
V
V
A
K
D
R
L
T
D
T
T
H
T
I
Y
A
K
K
V
V
N
A
A
G
P
W
V
D
T
L
R
E
K
D
-
R
-
S
K
H
-
G
K
Y
L
K
L
S
K
G
V
H
L
-----
V
V
D
Q
S
R
F
P
L
R
Q
A
V
Y
F
D
T
E
--
S
D
G
R
M
I
F
A
I
P
--
R
E
-
G
K
-
T
--
Y
I
G
T
T
D
T
F
Y
D
K
D
I
A
S
P
R
M
T
V
E
D
R
D
Y
I
L
A
A
A
N
Y
M
F
P
S
L
R
L
T
A
D
D
V
E
S
S
W
A
G
L
R
P
L
I
-----------
H
E
-----------
D
E
I
F
F
S
----
D
----
S
G
L
I
S
I
A
G
--
G
-
K
L
T
G
Y
R
K
M
A
E
R
T
V
D
A
V
A
Q
G
L
N
V
------
N
E
P
C
T
T
A
A
I
R
L
S
G
G
L
A
E
G
A
Q
G
-
F
P
R
F
L
-
D
E
A
S
R
K
G
A
K
L
G
F
D
A
D
E
V
R
R
L
A
K
L
Y
G
S
N
V
D
H
V
L
N
Y
A
Y
E
G
K
E
E
A
E
H
-
Y
--
G
L
P
A
-
L
L
L
G
Q
L
Q
--
Y
G
V
E
Q
E
M
V
A
T
P
L
D
F
F
V
R
R
T
G
A
L
F
F
N
I
S
L
V
H
Q
W
K
E
A
V
L
R
W
M
A
E
E
F
S
W
T
E
E
E
K
T
R
F
Q
N
E
L
E
T
E
L
K
M
A
V
D
P
L
F
Q
3
PsiBlast_PDB
70.69
41%
-60
- C1 -
2RGO
1
?
A:
[2-598]
-----
F
S
N
K
T
R
Q
D
S
I
Q
K
M
Q
Q
E
E
L
D
L
L
I
I
G
G
G
I
T
G
A
G
V
A
V
Q
A
A
A
S
G
I
K
T
G
L
I
E
M
Q
D
F
A
E
G
T
S
S
R
S
T
K
L
V
H
G
G
I
R
Y
L
K
-
T
-
F
D
V
E
V
V
A
D
T
V
G
E
R
A
V
V
Q
G
I
A
P
H
------
I
-
P
K
P
D
P
M
L
L
P
I
Y
E
DEG
A
T
T
F
---
N
M
F
S
V
K
V
A
M
D
L
Y
D
K
L
A
N
-
V
T
G
T
-
K
Y
E
N
Y
T
L
T
P
E
E
V
L
E
-
R
E
---
P
F
L
K
K
E
G
L
K
G
A
G
V
Y
L
-
D
F
R
N
N
D
A
R
L
V
I
D
N
I
K
K
A
A
E
D
G
A
Y
L
V
S
K
M
K
A
V
G
F
L
Y
E
G
D
Q
I
V
G
V
K
A
R
D
L
L
T
D
E
V
I
E
I
K
A
K
L
V
I
N
T
S
G
P
W
V
D
K
V
R
N
L
N
-
F
-
T
R
P
V
S
P
K
M
R
P
T
K
G
I
H
L
-----
V
V
D
A
K
K
L
P
V
P
-
Q
P
T
Y
F
D
T
GK
Q
D
G
R
M
V
F
A
I
P
--
R
E
-
N
K
-
T
--
Y
F
G
T
T
D
T
D
Y
Q
G
D
F
T
D
P
K
V
T
Q
E
D
V
D
Y
L
L
D
V
I
N
H
R
Y
P
E
A
N
I
T
L
A
D
I
E
A
S
W
A
G
L
R
P
L
L
IGNSGSDYNGG--------
T
I
S
R
G
S
S
L
E
R
E
----
P
----
D
G
L
L
T
L
S
G
--
G
-
K
I
T
D
Y
R
K
M
A
E
G
A
L
R
L
I
R
Q
L
L
K
E
E
Y
G
-
I
E
T
K
E
I
D
S
K
K
Y
Q
I
S
G
G
N
F
D
P
T
K
-
L
E
E
T
V
T
-
E
-
L
A
K
E
G
V
A
A
G
L
E
E
E
D
A
T
Y
I
A
D
F
Y
G
T
N
A
R
R
I
F
---
E
----
L
A
K
E
-
A
P
Y
P
G
L
S
L
A
E
S
A
R
L
R
--
Y
G
L
E
E
E
M
V
L
A
P
G
D
Y
L
I
R
R
T
N
H
L
L
F
E
R
D
Q
L
D
E
I
K
Q
P
V
I
D
A
I
A
E
Y
F
G
W
T
E
E
E
K
A
Q
Q
T
K
R
L
E
A
L
I
A
E
S
------
82
HHSearch
67.37
43%
-48
- C1 -
2RGH
2
?
A:
[17-568]
------
S
N
K
T
R
Q
D
S
I
Q
K
M
Q
Q
E
E
L
D
L
L
I
I
G
G
G
I
T
G
A
G
V
A
V
Q
A
A
A
S
G
I
K
T
G
L
I
E
M
Q
D
F
A
E
G
T
S
S
R
S
T
K
L
V
H
G
G
I
R
Y
L
K
-
T
-
F
D
V
E
V
V
A
D
T
V
G
E
R
A
V
V
Q
G
I
A
P
H
------
I
-
P
K
P
D
P
M
L
L
P
I
Y
E
---
D
E
G
A
TTF
N
M
F
S
V
K
V
A
M
D
L
Y
D
K
L
A
N
-
V
T
G
T
K
Y
E
N
Y
-
T
L
T
P
E
E
V
L
E
-
R
E
---
P
F
L
K
K
E
G
L
K
G
A
G
V
Y
L
-
D
F
R
N
N
D
A
R
L
V
I
D
N
I
K
K
A
A
E
D
G
A
Y
L
V
S
K
M
K
A
V
G
F
L
Y
E
G
D
Q
I
V
G
V
K
A
R
D
L
L
T
D
E
V
I
E
I
K
A
K
L
V
I
N
T
S
G
P
W
V
D
K
V
R
N
L
N
-
F
T
R
P
V
-
S
P
K
M
R
P
T
K
G
I
H
L
-----
V
V
D
A
K
K
L
P
V
P
Q
P
T
Y
F
D
T
G
K-
Q
D
G
R
M
V
F
A
I
P
--
R
E
-
N
K
-
T
--
Y
F
G
T
T
D
T
D
Y
Q
G
D
F
T
D
P
K
V
T
Q
E
D
V
D
Y
L
L
D
V
I
N
H
R
Y
P
E
A
N
I
T
L
A
D
I
E
A
S
W
A
G
L
R
P
L
L
-----------
I
G
-----------
S
S
L
E
R
E
----
P
----
D
G
L
L
T
L
S
G
--
G
-
K
I
T
D
Y
R
K
M
A
E
G
A
L
R
L
I
R
Q
L
L
K
E
-
E
Y
G
I
E
T
K
E
I
D
S
K
K
Y
Q
I
S
G
G
N
F
D
P
T
K
--
L
E
E
T
V
T
E
-
L
A
K
E
G
V
A
A
G
L
E
E
E
D
A
T
Y
I
A
D
F
Y
G
T
N
A
R
R
I
F
E
L
A
K
----
E
M
A
P
Y
P
--
G
L
S
L
-
A
E
S
A
R
L
R
--
Y
G
L
E
E
E
M
V
L
A
P
G
D
Y
L
I
R
R
T
N
H
L
L
F
E
R
D
Q
L
D
E
I
K
Q
P
V
I
D
A
I
A
E
Y
F
G
W
T
E
E
E
K
A
Q
Q
T
K
R
L
E
A
L
I
A
E
S
D
L
R
E
L
K
21
PsiBlast_CBE
65.57
41%
-61
- C1 -
2RGO
1
?
B:
[2-598]
-----
F
S
N
K
T
R
Q
D
S
I
Q
K
M
Q
--
E
L
D
L
L
I
I
G
G
G
I
T
G
A
G
V
A
V
Q
A
A
A
S
G
I
K
T
G
L
I
E
M
Q
D
F
A
E
G
T
S
S
R
S
T
K
L
V
H
G
G
I
R
Y
L
K
-
T
-
F
D
V
E
V
V
A
D
T
V
G
E
R
A
V
V
Q
G
I
A
P
H
------
I
-
P
K
P
D
P
M
L
L
P
I
Y
E
DE--
T
T
F
---
N
M
F
S
V
K
V
A
M
D
L
Y
D
K
L
A
N
-
V
T
G
T
-
K
Y
E
N
Y
T
L
T
P
E
E
V
L
E
-
R
E
---
P
F
L
K
K
E
G
L
K
G
A
G
V
Y
L
-
D
F
R
N
N
D
A
R
L
V
I
D
N
I
K
K
A
A
E
D
G
A
Y
L
V
S
K
M
K
A
V
G
F
L
Y
-
G
D
Q
I
V
G
V
K
A
R
D
L
L
T
D
E
V
I
E
I
K
A
K
L
V
I
N
T
S
G
P
W
V
D
K
V
R
N
L
N
-
F
---
P
V
S
P
K
M
R
P
T
K
G
I
H
L
-----
V
V
D
A
K
K
L
P
V
P
-
Q
P
T
Y
F
D
T
GK
Q
D
G
R
M
V
F
A
I
P
--
R
E
-
N
K
-
T
--
Y
F
G
T
T
D
T
D
Y
Q
G
D
F
T
D
P
K
V
T
Q
E
D
V
D
Y
L
L
D
V
I
N
H
R
Y
P
E
A
N
I
T
L
A
D
I
E
A
S
W
A
G
L
R
P
L
L
IGNSGSDYNGG---------
I
S
R
G
S
S
L
E
R
E
----
P
----
D
G
L
L
T
L
S
G
--
G
-
K
I
T
D
Y
R
K
M
A
E
G
A
L
R
L
I
R
Q
L
L
K
E
E
Y
G
-
I
E
T
K
E
I
D
S
K
K
Y
Q
I
S
G
G
N
F
D
P
T
K
----------------------
E
D
A
T
Y
I
A
D
F
Y
G
T
N
A
R
R
I
F
---
E
----
L
A
---
A
P
Y
P
G
L
S
L
A
E
S
A
R
L
R
--
Y
G
L
E
E
E
M
V
L
A
P
G
D
Y
L
I
R
R
T
N
H
L
L
F
E
R
D
Q
L
D
E
I
K
Q
P
V
I
D
A
I
A
E
Y
F
G
W
T
E
E
E
K
A
Q
Q
T
K
R
L
E
A
L
I
A
E
S
------
2
PsiBlast_PDB
62.05
43%
-46
- C1 -
2RGH
2
?
A:
[55-562]
--------------------------------------------
G
I
K
T
G
L
I
E
M
Q
D
F
A
E
G
T
S
S
R
S
T
K
L
V
H
G
G
I
R
Y
L
K
-
T
-
F
D
V
E
V
V
A
D
T
V
G
E
R
A
V
V
Q
G
I
A
P
H
------
I
-
P
K
P
D
P
M
L
L
P
I
Y
E
DEG
A
T
T
F
---
N
M
F
S
V
K
V
A
M
D
L
Y
D
K
L
A
N
-
V
T
G
T
-
K
Y
E
N
Y
T
L
T
P
E
E
V
L
E
-
R
E
---
P
F
L
K
K
E
G
L
K
G
A
G
V
Y
L
-
D
F
R
N
N
D
A
R
L
V
I
D
N
I
K
K
A
A
E
D
G
A
Y
L
V
S
K
M
K
A
V
G
F
L
Y
E
G
D
Q
I
V
G
V
K
A
R
D
L
L
T
D
E
V
I
E
I
K
A
K
L
V
I
N
T
S
G
P
W
V
D
K
V
R
N
L
N
-
F
-
T
R
P
V
S
P
K
M
R
P
T
K
G
I
H
L
-----
V
V
D
A
K
K
L
P
V
P
-
Q
P
T
Y
F
D
T
GK
Q
D
G
R
M
V
F
A
I
P
--
R
E
-
N
K
-
T
--
Y
F
G
T
T
D
T
D
Y
Q
G
D
F
T
D
P
K
V
T
Q
E
D
V
D
Y
L
L
D
V
I
N
H
R
Y
P
E
A
N
I
T
L
A
D
I
E
A
S
W
A
G
L
R
P
L
L
-----------
I
G
-----------
S
S
L
E
R
E
----
P
----
D
G
L
L
T
L
S
G
--
G
-
K
I
T
D
Y
R
K
M
A
E
G
A
L
R
L
I
R
Q
L
L
K
E
E
Y
G
-
I
E
T
K
E
I
D
S
K
K
Y
Q
I
S
G
G
N
F
D
P
T
K
-
L
E
E
T
V
T
-
E
-
L
A
K
E
G
V
A
A
G
L
E
E
E
D
A
T
Y
I
A
D
F
Y
G
T
N
A
R
R
I
F
---
E
----
L
A
K
E
M
A
P
Y
P
G
L
S
L
A
E
S
A
R
L
R
--
Y
G
L
E
E
E
M
V
L
A
P
G
D
Y
L
I
R
R
T
N
H
L
L
F
E
R
D
Q
L
D
E
I
K
Q
P
V
I
D
A
I
A
E
Y
F
G
W
T
E
E
E
K
A
Q
Q
T
K
R
L
E
A
L
I
A
E
S
------
83
HHSearch
55.75
31%
-57
- C1 -
2QCU
24
GLPD_ECOLI
A:
[3-498]
---------------------
T
K
D
L
I
V
I
G
G
G
I
N
G
A
G
I
A
A
D
A
A
G
R
G
L
S
V
L
M
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
-
H
-
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
------
I
-
A
F
P
M
R
F
R
L
P
H
R
P
---
H
L
R
----
P
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
K
-
R
T
S
L
-
P
G
S
T
-
G
L
R
F
G
A
-----
N
---
S
V
L
K
P
-
E
I
K
R
G
F
E
Y
S
-
D
C
W
V
D
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
-
L
W
I
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
D
G
-
M
H
L
P
S
-
P
Y
G
I
R
L
I
K
G
S
H
I
-----
V
V
P
R
V
H
T
Q
K
Q
-
A
Y
I
L
Q
-
N
--
E
D
K
R
I
V
F
V
I
P
--
W
M
D
E
F
-
S
--
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
K
K
-
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
-----------
D
D
E
S
D
S
P
Q
A
I
T
R
D
Y
T
L
D
I
H
D
E
NG
K
----
A
P
L
L
S
V
F
G
--
G
-
K
L
T
T
Y
R
K
L
A
E
H
A
L
E
K
L
T
P
Y
Y
Q
G
------
I
G
P
A
W
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
D
D
Y
A
A
-----
R
L
-
R
R
R
Y
P
F
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
G
----
T
V
S
D
L
G
E
D
F
G
H
E
-
F
Y
E
A
E
L
K
--
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
K
Q
G
M
W
L
N
---
A
D
Q
Q
S
R
V
S
Q
W
L
V
E
Y
T
Q
Q
R
L
S
----------------------
4
PsiBlast_PDB
49.91
30%
-52
- C1 -
2R4J
22
GLPD_ECOLI
A:
[27-471]
---------------------------------------------
L
S
V
L
M
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
-
H
-
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
------
I
-
A
F
P
M
R
F
R
L
P
-
H
R
---
P
H
L
R
---
P
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
--------
K
R
T
-
S
L
P
G
S
T
G
L
R
F
G
A
---
N
S
V
L
K
P
E
I
K
R
G
F
E
Y
S
-
D
C
W
V
D
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
L
W
I
-
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
-------
D
-
G
M
H
L
P
S
P
Y
G
I
R
L
I
K
G
S
H
I
V
V
P
R
V
H
T
Q
K
-
Q
A
Y
I
L
Q
N
--
E
D
K
R
I
V
F
V
I
P
--
W
M
-
D
E
F
S
--
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
K
K
-
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
-----------
D
D
E
S
D
S
P
Q
A
I
T
R
D
Y
T
L
D
I
H
----
D
E
NGK
A
P
L
L
S
V
F
G
--
G
-
K
L
T
T
Y
R
K
L
A
E
H
A
L
E
K
L
T
P
Y
Y
------
Q
G
I
G
P
A
W
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
D
D
Y
A
----
A
-
R
L
R
R
R
Y
P
F
-
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
G
----
T
V
S
D
L
G
E
D
F
G
---
H
E
F
Y
E
A
E
L
K
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
----------------------------------------------------
7
PsiBlast_PDB
49.25
30%
-47
- C1 -
2R46
23
GLPD_ECOLI
A:
[27-471]
---------------------------------------------
L
S
V
L
M
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
-
H
-
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
------
I
-
A
F
P
M
R
F
R
L
P
-
H
R
---
P
H
L
R
---
P
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
--------
K
R
T
-
S
L
P
G
S
T
G
L
R
F
G
A
---
N
S
V
L
K
P
E
I
K
R
G
F
E
Y
S
-
D
C
W
V
D
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
L
W
I
-
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
D
G
M
H
-
L
P
S
-
P
Y
G
I
R
L
I
K
G
S
H
I
-----
V
V
P
R
-
V
H
T
Q
K
-
Q
A
Y
I
L
Q
N
--
E
D
K
R
I
V
F
V
I
P
--
W
M
-
D
E
F
S
--
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
K
K
-
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
-----------
D
D
E
S
D
S
P
Q
A
I
T
R
D
Y
T
L
D
I
H
----
D
E
NGK
A
P
L
L
S
V
F
G
--
G
-
K
L
T
T
Y
R
K
L
A
E
H
A
L
E
K
L
T
P
Y
Y
------
Q
G
I
G
P
A
W
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
D
D
Y
A
----
A
-
R
L
R
R
R
Y
P
F
-
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
G
----
T
V
S
D
L
G
E
D
F
G
---
H
E
F
Y
E
A
E
L
K
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
----------------------------------------------------
5
PsiBlast_PDB
49.18
30%
-46
- C1 -
2QCU
24
GLPD_ECOLI
A:
[27-471]
---------------------------------------------
L
S
V
L
M
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
-
H
-
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
------
I
-
A
F
P
M
R
F
R
L
P
-
H
R
---
P
H
L
R
---
P
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
--------
K
R
T
-
S
L
P
G
S
T
G
L
R
F
G
A
---
N
S
V
L
K
P
E
I
K
R
G
F
E
Y
S
-
D
C
W
V
D
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
L
W
I
-
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
D
G
M
H
-
L
P
S
-
P
Y
G
I
R
L
I
K
G
S
H
I
-----
V
V
P
R
-
V
H
T
Q
K
-
Q
A
Y
I
L
Q
N
--
E
D
K
R
I
V
F
V
I
P
--
W
M
-
D
E
F
S
--
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
K
K
-
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
-----------
D
D
E
S
D
S
P
Q
A
I
T
R
D
Y
T
L
D
I
H
----
D
E
NGK
A
P
L
L
S
V
F
G
--
G
-
K
L
T
T
Y
R
K
L
A
E
H
A
L
E
K
L
T
P
Y
Y
------
Q
G
I
G
P
A
W
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
D
D
Y
A
----
A
-
R
L
R
R
R
Y
P
F
-
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
G
----
T
V
S
D
L
G
E
D
F
G
---
H
E
F
Y
E
A
E
L
K
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
----------------------------------------------------
6
PsiBlast_PDB
49.14
30%
-50
- C1 -
2R45
27
GLPD_ECOLI
A:
[27-471]
---------------------------------------------
L
S
V
L
M
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
-
H
-
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
------
I
-
A
F
P
M
R
F
R
L
P
-
H
R
---
P
H
L
R
---
P
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
--------
K
R
T
-
S
L
P
G
S
T
G
L
R
F
G
A
---
N
S
V
L
K
P
E
I
K
R
G
F
E
Y
S
-
D
C
W
V
D
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
L
W
I
-
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
D
G
M
H
-
L
P
S
-
P
Y
G
I
R
L
I
K
G
S
H
I
-----
V
V
P
R
-
V
H
T
Q
K
-
Q
A
Y
I
L
Q
N
--
E
D
K
R
I
V
F
V
I
P
--
W
M
-
D
E
F
S
--
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
K
K
-
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
-----------
D
D
E
S
D
S
P
Q
A
I
T
R
D
Y
T
L
D
I
H
----
D
E
NGK
A
P
L
L
S
V
F
G
--
G
-
K
L
T
T
Y
R
K
L
A
E
H
A
L
E
K
L
T
P
Y
Y
------
Q
G
I
G
P
A
W
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
D
D
Y
A
----
A
-
R
L
R
R
R
Y
P
F
-
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
G
----
T
V
S
D
L
G
E
D
F
G
---
H
E
F
Y
E
A
E
L
K
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
----------------------------------------------------
8
PsiBlast_PDB
49.09
30%
-48
- C1 -
2R4E
20
GLPD_ECOLI
A:
[27-471]
---------------------------------------------
L
S
V
L
M
L
E
A
Q
D
L
A
C
A
T
S
S
A
S
S
K
L
I
H
G
G
L
R
Y
L
E
-
H
-
Y
E
F
R
L
V
S
E
A
L
A
E
R
E
V
L
L
K
M
A
P
H
------
I
-
A
F
P
M
R
F
R
L
P
-
H
R
---
P
H
L
R
---
P
A
W
M
I
R
I
G
L
F
M
Y
D
H
L
G
--------
K
R
T
-
S
L
P
G
S
T
G
L
R
F
G
A
---
N
S
V
L
K
P
E
I
K
R
G
F
E
Y
S
-
D
C
W
V
D
D
A
R
L
V
L
A
N
A
Q
M
V
V
R
K
G
G
E
V
L
T
R
T
R
A
T
S
A
R
R
E
N
G
L
W
I
-
V
E
A
E
D
I
D
T
G
K
K
Y
S
W
Q
A
R
G
L
V
N
A
T
G
P
W
V
K
Q
F
F
D
D
G
M
H
-
L
P
S
-
P
Y
G
I
R
L
I
K
G
S
H
I
-----
V
V
P
R
-
V
H
T
Q
K
-
Q
A
Y
I
L
Q
N
--
E
D
K
R
I
V
F
V
I
P
--
W
M
-
D
E
F
S
--
I
I
G
T
T
D
V
E
Y
K
G
D
P
K
A
V
K
I
E
E
S
E
I
N
Y
L
L
N
V
Y
N
T
H
F
K
K
-
Q
L
S
R
D
D
I
V
W
T
Y
S
G
V
R
P
L
C
-----------
D
D
E
S
D
S
P
Q
A
I
T
R
D
Y
T
L
D
I
H
----
D
E
NGK
A
P
L
L
S
V
F
G
--
G
-
K
L
T
T
Y
R
K
L
A
E
H
A
L
E
K
L
T
P
Y
Y
------
Q
G
I
G
P
A
W
T
K
E
S
V
L
P
G
G
A
I
E
G
D
R
D
D
Y
A
----
A
-
R
L
R
R
R
Y
P
F
-
L
T
E
S
L
A
R
H
Y
A
R
T
Y
G
S
N
S
E
L
L
L
G
N
A
G
----
T
V
S
D
L
G
E
D
F
G
---
H
E
F
Y
E
A
E
L
K
Y
L
V
D
H
E
W
V
R
R
A
D
D
A
L
W
R
R
T
----------------------------------------------------
51
PsiBlast_CBE
39.85
42%
-240
- C2 -
3ATQ
1
?
A:
[2-34]
-----------------
M
K
E
L
K
Y
D
V
L
I
I
G
G
G
F
A
G
S
S
A
A
Y
Q
L
S
R
R
G
L
K
I
L
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
39.83
42%
-243
- C2 -
4OPI
1
?
A:
[2-34]
-----------------
M
K
E
L
K
Y
D
V
L
I
I
G
G
G
F
A
G
S
S
A
A
Y
Q
L
S
R
R
G
L
K
I
L
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
39.57
42%
-243
- C2 -
4OPG
1
?
A:
[2-34]
-----------------
M
K
E
L
K
Y
D
V
L
I
I
G
G
G
F
A
G
S
S
A
A
Y
Q
L
S
R
R
G
L
K
I
L
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
39.39
42%
-242
- C2 -
4OPT
1
?
A:
[2-34]
-----------------
M
K
E
L
K
Y
D
V
L
I
I
G
G
G
F
A
G
S
S
A
A
Y
Q
L
S
R
R
G
L
K
I
L
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
85
HHSearch
38.97
22%
-86
- C1 -
1RYI
2
GLOX_BACSU
A:
[14-362]
------------------
M
K
R
H
Y
E
A
V
V
I
G
G
G
I
I
G
S
A
I
A
Y
Y
L
A
K
E
N
K
N
T
A
L
F
E
S
G
T
M
G
G
R
T
T
S
A
A
A
G
M
L
G
A
H
A
E
C
E
E
R
D
-
A
F
F
D
F
A
M
H
S
Q
R
L
Y
K
G
L
G
E
E
L
Y
A
L
SGVD-
I
R
Q
H
N
G
G
M
F
K
L
A
F
S
---
E
E
D
--------------
V
-
L
Q
L
R
Q
-
M
D
D
L
-
D
S
V
S
-
W
Y
S
K
E
E
V
L
E
-
K
E
---
P
Y
A
S
G
D
-
I
F
G
A
S
F
I
Q
D
D
V
H
V
E
P
Y
F
V
C
K
A
Y
V
K
A
A
K
M
L
G
A
E
I
F
E
H
T
P
V
L
H
V
E
R
D
G
E
-
A
L
F
I
K
T
P
------
S
G
D
V
W
A
N
H
V
V
V
A
S
G
V
W
S
G
M
F
F
K
Q
L
-
G
-
L
---
N
N
A
F
L
P
V
K
G
E
C
L
-----
S
V
W
N
D
D
I
P
L
T
-
K
T
L
Y
-------
H
D
H
C
Y
I
V
P
--
R
K
S
G
R
-
L
--
V
V
G
A
T
M
K
P
G
D
---
W
S
E
T
P
D
L
G
G
L
E
S
V
M
K
K
A
K
T
M
L
P
--
A
I
Q
N
M
K
V
D
R
F
W
A
G
L
R
P
G
T
-----------
K
D
G
K
--
P
-
Y
I
G
R
H
P
----
E
----
D
----
S
R
I
L
F
A
A
G
HF
R
N
G
I
L
L
A
P
A
T
G
A
L
I
S
D
L
I
M
N
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
106
Fugue
38.75
20%
-70
- C1 -
5EZ7
3
?
A:
[2-392]
----------------
M
P
Q
A
L
S
T
D
I
L
I
V
G
G
G
I
A
G
L
W
L
N
A
R
L
R
R
A
G
Y
A
T
V
L
V
E
S
A
S
L
G
G
G
Q
S
V
K
S
Q
G
I
I
H
G
G
T
----------------
G
A
S
E
A
I
A
D
--------------------
M
P
R
R
W
---
R
A
C
L
---
G
S
-
D
G
E
L
D
L
R
G
V
R
L
L
S
-------
E
A
H
Y
-
L
W
S
P
V
E
Q
A
K
-
G
E
DLP
P
A
L
R
D
K
G
F
K
G
K
A
Y
R
L
-
T
E
I
V
F
D
V
P
D
L
I
R
R
L
A
E
L
A
G
---
D
S
L
L
A
G
E
R
I
E
P
L
R
E
G
R
E
L
A
G
L
C
V
D
G
------
R
E
I
R
A
Q
R
V
V
L
S
A
G
A
G
N
E
A
L
L
R
E
L
-
G
-
L
E
Q
-
P
A
M
Q
R
R
P
L
H
M
V
M
-----
V
K
A
A
T
L
K
P
L
Y
-
A
H
C
L
G
A
G
--
P
K
P
R
I
T
V
T
T
H
P
T
R
D
-
G
Q
-
S
V
W
Y
L
G
G
-
D
I
A
E
T
D
G
V
A
R
D
--
E
A
A
Q
I
A
E
A
R
R
E
L
A
K
L
L
P
W
I
D
L
G
----
Q
A
Q
W
A
T
L
R
V
D
R
-----------
A
E
P
A
Q
--
S
N
L
L
R
P
D
N
A
F
L
A
----
E
----
Q
G
R
L
L
V
G
W
------
P
T
K
L
A
L
A
P
D
F
A
D
R
V
C
A
R
L
E
E
D
G
I
-
R
P
S
E
H
A
A
L
P
Q
L
P
R
P
P
--
L
A
E
P
A
W
E
V
A
F
A
---------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
38.59
42%
-249
- C2 -
4OPD
1
?
B:
[2-34]
-----------------
M
K
E
L
K
Y
D
V
L
I
I
G
G
G
F
A
G
S
S
A
A
Y
Q
L
S
R
R
G
L
K
I
L
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
86
HHSearch
38.15
19%
-88
- C1 -
4YSH
2
?
A:
[2-355]
-------------------
T
H
R
Y
D
V
A
I
V
G
G
G
V
I
G
A
A
I
G
F
E
L
A
K
R
R
H
R
V
A
I
F
E
K
G
T
M
G
S
G
A
S
S
A
A
A
G
M
L
G
A
Q
S
E
F
S
T
-
S
S
P
L
V
P
L
A
L
Q
S
R
A
L
M
P
A
L
A
E
E
L
R
E
R
TGIDI
G
-
L
V
E
K
G
L
I
K
L
A
T
T
---
E
E
E
-----
A
------
D
D
L
Y
R
H
Y
T
F
W
R
G
I
G
-
E
P
V
Q
-
W
L
T
K
G
E
A
L
E
-
M
E
---
P
R
L
A
E
A
-
L
A
G
A
M
Y
I
P
G
D
G
Q
V
S
A
P
D
L
A
A
A
L
A
Y
A
A
A
S
A
G
A
C
L
Y
E
Y
T
E
V
F
D
I
R
S
D
S
S
G
-
H
V
L
D
T
----
T
--
G
G
T
F
A
A
E
A
V
V
I
A
S
G
A
W
A
A
R
L
G
A
R
V
-
G
-
L
---
S
L
S
V
Y
P
V
K
G
E
C
V
-----
M
V
R
A
P
V
P
L
L
Q
-
T
T
V
F
A
------
K
N
G
C
Y
I
V
P
--
K
S
G
N
R
-
L
--
L
I
G
A
T
S
T
P
G
T
---
F
D
R
R
V
S
A
G
G
V
M
N
L
L
H
R
A
A
H
L
V
P
D
--
I
E
Q
A
E
W
V
A
S
W
S
G
I
R
P
Q
T
-----------
E
D
G
L
--
P
-
Y
L
G
E
H
----
P
E
----
R
----
R
G
L
F
V
A
A
G
HY
R
N
G
I
L
L
S
P
L
T
G
L
L
V
A
D
L
V
E
R
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------