@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 : bsu35660: (2016-07-30 )
MKKLKVMTVFGTRPEAIKMAPLVLELKKYPEIDSYVTVTAQHRQMLDQVLDAFHIKPDFDLNIMKERQTLAEITSNALVRLDELFKDIKPDIVLVHGDTTTTFAGSLAAFYHQIAVGHVEAGLRTGNKYSPFPEELNRQMTGAIADLHFAPTGQAKDNLLKENKKADSIFVTGNTAIDALNTTVRDGYSHPVLDQVGEDKMILLTAHRRENLGEPMENMFKAIRRIVGEFEDVQVVYPVHLNPVVREAAHKHFGDSDRVHLIEPLEVIDFHNFAAKSHFILTDSGGVQEEAPSLGKPVLVLRDTTERPEGVEAGTLKLAGTDEENIYQLAKQLLTDPDEYKKMSQASNPYGDGEASRRIVEELLFHYGYRKEQPDSFTGK
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MK
K
L
K
V
M
T
V
FGTRP
E
A
I
K
M
A
P
L
V
L
E
L
KKY--PE-ID
S
Y
V
T
V
T
A
Q
H
R
Q
-
M
L
D
Q
V
L
--
D
AFHI-KPDF
D
L
N
I
M
-
K
E
R
Q
T
L
A
E
I
T
S
N
A
L
V
R
L
D
E
L
F
K
DIKP
D
I
V
L
V
HGDTT
T
T
F
A
G
S
L
A
A
F
Y
H
Q
I
A
V
G
H
V
E
A
G
LRTGNKYSP
F
P
E
E
L
N
R
Q
M
T
G
A
I
A
-
D
L
H
FAPTGQ
A
K
D
N
L
L
K
ENKKA
D
S
I
F
V
TGN-T-A
I
D
A
L
---------
N
T
T
V
R-----D------------G----Y------------S----H------
P
V
L
----
D
QV-------G--ED
K
M
-
I
L
L
T
A
H
R
--
R
--
E
NL--G
E
P
M
E
N
M
F
K
A
I
R
R
I
VGEFE
D
V
Q
V
V
Y
P
VHL
N
P
V
V
R
E
A
A
H
KHF---GD-SD
R
V
H
L
I
EP
L
E
V
IDFHNF-AAK
S
H
F
I
L
TDSGGVQEEAPSLGK
P
V
L
V
-
L
-RDTTERPEGVEAG
T
L
K
LAGT-D
E
E
N
I
Y
Q
L
A
K
Q
LLT
D
P
D
E
Y
K
K
M
-
S
QASNPYGD-
G
E
A
S
R
R
I
V
E
E
L
L
F
HYGYRKEQPDSFTGK
21
PsiBlast_CBE
91.76
100%
-69
- C2 -
4FKZ
2
MNAA_BACSU
B:
[2-377]
-
K
K
L
K
V
M
T
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
L
E
L
K
K
Y
--
P
E
-
I
D
S
Y
V
T
V
T
A
Q
H
R
Q
-
M
L
D
Q
V
L
--
D
A
F
H
I
-
K
P
D
F
D
L
N
I
M
-
K
E
R
Q
T
L
A
E
I
T
S
N
A
L
V
R
L
D
E
L
F
K
D
I
K
P
D
I
V
L
V
H
G
D
T
T
T
T
F
A
G
S
L
A
A
F
Y
H
Q
I
A
V
G
H
V
E
A
G
L
R
T
G
N
K
Y
S
P
F
P
E
E
L
N
R
Q
M
T
G
A
I
A
-
D
L
H
F
A
P
T
G
Q
A
K
D
N
L
L
K
E
N
K
K
A
D
S
I
F
V
T
G
N
-
T
-
A
I
D
A
L
---------
N
T
T
V
R
-----
D
------------
G
----
Y
------------
S
----
H
------
P
V
L
----
D
Q
V
-------
G
--
E
D
K
M
-
I
L
L
T
A
H
R
--
R
--
E
N
L
--
G
E
P
M
E
N
M
F
K
A
I
R
R
I
V
G
E
F
E
D
V
Q
V
V
Y
P
V
H
L
N
P
V
V
R
E
A
A
H
K
H
F
---
G
D
-
S
D
R
V
H
L
I
E
P
L
E
V
I
D
F
H
N
F
-
A
A
K
S
H
F
I
L
T
D
S
G
G
V
Q
E
E
A
P
S
L
G
K
P
V
L
V
-
L
-
R
D
T
T
E
R
P
E
G
V
E
A
G
T
L
K
L
A
G
T
-
D
E
E
N
I
Y
Q
L
A
K
Q
L
L
T
D
P
D
E
Y
K
K
M
-
S
Q
A
S
N
P
Y
G
D
-
G
E
A
S
R
R
I
V
E
E
L
L
F
H
Y
G
Y
R
K
E
Q
P
D
S
F
---
1
PsiBlast_PDB
91.32
100%
-66
- C2 -
4FKZ
2
MNAA_BACSU
A:
[2-380]
-
K
K
L
K
V
M
T
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
L
E
L
K
K
Y
--
P
E
-
I
D
S
Y
V
T
V
T
A
Q
H
R
Q
-
M
L
D
Q
V
L
--
D
A
F
H
I
-
K
P
D
F
D
L
N
I
M
-
K
E
R
Q
T
L
A
E
I
T
S
N
A
L
V
R
L
D
E
L
F
K
D
I
K
P
D
I
V
L
V
H
G
D
T
T
T
T
F
A
G
S
L
A
A
F
Y
H
Q
I
A
V
G
H
V
E
A
G
L
R
T
G
N
K
Y
S
P
F
P
E
E
L
N
R
Q
M
T
G
A
I
A
-
D
L
H
F
A
P
T
G
Q
A
K
D
N
L
L
K
E
N
K
K
A
D
S
I
F
V
T
G
N
-
T
-
A
I
D
A
L
---------
N
T
T
V
R
-----
D
------------
G
----
Y
------------
S
----
H
------
P
V
L
----
D
Q
V
-------
G
--
E
D
K
M
-
I
L
L
T
A
H
R
--
R
--
E
N
L
--
G
E
P
M
E
N
M
F
K
A
I
R
R
I
V
G
E
F
E
D
V
Q
V
V
Y
P
V
H
L
N
P
V
V
R
E
A
A
H
K
H
F
---
G
D
-
S
D
R
V
H
L
I
E
P
L
E
V
I
D
F
H
N
F
-
A
A
K
S
H
F
I
L
T
D
S
G
G
V
Q
E
E
A
P
S
L
G
K
P
V
L
V
-
L
-
R
D
T
T
E
R
P
E
G
V
E
A
G
T
L
K
L
A
G
T
-
D
E
E
N
I
Y
Q
L
A
K
Q
L
L
T
D
P
D
E
Y
K
K
M
-
S
Q
A
S
N
P
Y
G
D
-
G
E
A
S
R
R
I
V
E
E
L
L
F
H
Y
G
Y
R
K
E
Q
P
D
S
F
T
G
K
9
PsiBlast_PDB
79.69
44%
-109
- C2 -
1V4V
2
?
A:
[7-366]
----
R
V
V
L
A
F
G
T
R
P
E
A
T
K
M
A
P
V
Y
L
A
L
R
G
I
--
P
G
-
L
K
P
L
V
L
L
T
G
Q
H
R
E
-
Q
L
R
Q
A
L
--
S
L
F
G
I
-
Q
E
D
R
N
L
D
V
M
-
Q
E
R
Q
A
L
P
D
L
A
A
R
I
L
P
Q
A
A
R
A
L
K
E
M
G
A
D
Y
V
L
V
H
G
D
T
L
T
T
F
A
V
A
W
A
A
F
L
E
G
I
P
V
G
H
V
E
A
G
L
R
S
G
N
L
K
E
P
F
P
E
E
A
N
R
R
L
T
D
V
L
T
-
D
L
D
F
A
P
T
P
L
A
K
A
N
L
L
K
E
G
K
R
E
E
G
I
L
V
T
G
Q
-
T
-
G
V
D
A
V
---------
L
L
A
A
K
-----
L
------------
G
----
R
-------------------------
L
P
----
E
G
L
-------
P
--
E
G
P
Y
-
V
T
V
T
M
H
R
--
R
--
E
N
W
---
P
L
L
S
D
L
A
Q
A
L
K
R
V
A
E
A
F
P
H
L
T
F
V
Y
P
V
H
L
N
P
V
V
R
E
A
V
F
P
V
L
---
K
G
-
V
R
N
F
V
L
L
D
P
L
E
Y
G
S
M
A
A
L
-
M
R
A
S
L
L
L
V
T
D
S
G
G
L
Q
E
E
G
A
A
L
G
V
P
V
V
V
-
L
-
R
N
V
T
E
R
P
E
G
L
K
A
G
I
L
K
L
A
G
T
-
D
P
E
G
V
Y
R
V
V
K
G
L
L
E
N
P
E
E
L
S
R
M
-
R
K
A
K
N
P
Y
G
D
-
G
K
A
G
L
M
V
A
R
G
V
A
W
R
L
G
------------
3
PsiBlast_PDB
76.11
71%
-4
- C2 -
3BEO
2
?
A:
[7-373]
-
E
R
L
K
V
M
T
I
F
G
T
R
P
E
A
I
K
M
A
P
L
V
L
E
L
Q
K
H
--
P
E
K
I
E
S
I
V
T
V
T
A
Q
H
R
Q
-
M
L
D
Q
V
L
--
S
I
F
G
I
-
T
P
D
F
D
L
N
I
M
-
K
D
R
Q
T
L
I
D
I
T
T
R
G
L
E
G
L
D
K
V
M
K
E
A
K
P
D
I
V
L
V
H
G
D
T
T
T
T
F
I
A
S
L
A
A
F
Y
N
Q
I
P
V
G
H
V
E
A
G
L
R
T
W
D
K
Y
S
P
Y
P
E
E
M
N
R
Q
L
T
G
V
M
A
-
D
L
H
F
S
P
T
A
K
S
A
T
N
L
Q
K
E
N
K
D
E
S
R
I
F
I
T
G
N
-
T
-
A
I
D
A
L
---------
K
T
T
V
K
-----
E
------------
T
----
Y
------------
S
----
H
------
P
V
L
----
E
K
L
-------
G
--
N
N
R
L
-
V
L
M
T
A
H
R
--
R
--
E
N
L
--
G
E
P
M
R
N
M
F
R
A
I
K
R
L
V
D
K
H
E
D
V
Q
V
V
Y
P
V
H
M
N
P
V
V
R
E
T
A
N
D
I
L
---
G
D
-
Y
G
R
I
H
L
I
E
P
L
D
V
I
D
F
H
N
V
-
A
A
R
S
Y
L
M
L
T
D
S
G
G
V
Q
E
E
A
P
S
L
G
V
P
V
L
V
-
L
-
R
D
T
T
E
R
P
E
G
I
E
A
G
T
L
K
L
A
G
T
-
D
E
E
T
I
F
S
L
A
D
E
L
L
S
D
K
E
A
H
D
K
M
-
S
K
A
S
N
P
Y
G
D
-
G
R
A
S
E
R
I
V
E
A
I
L
K
H
F
-------------
4
PsiBlast_PDB
75.95
62%
-22
- C2 -
3OT5
2
?
A:
[26-401]
-
A
K
I
K
V
M
S
I
F
G
T
R
P
E
A
I
K
M
A
P
L
V
L
A
L
E
K
E
--
P
E
T
F
E
S
T
V
V
I
T
A
------
L
D
Q
V
L
--
E
I
F
D
I
-
K
P
D
I
D
L
D
I
M
-
K
-
G
Q
T
L
A
E
I
T
S
R
V
M
N
G
I
N
E
V
I
A
A
E
N
P
D
I
V
L
V
H
G
D
T
T
T
S
F
A
A
G
L
A
T
F
Y
Q
Q
K
M
L
G
H
V
E
A
G
L
R
T
W
N
K
Y
S
P
F
P
E
E
M
N
R
Q
L
T
G
V
M
A
-
D
I
H
F
S
P
T
K
Q
A
K
E
N
L
L
A
E
G
K
D
P
A
T
I
F
V
T
G
N
-
T
-
A
I
D
A
L
---------
K
T
T
V
Q
-----
K
------------
D
----
Y
------------
H
----
H
------
P
I
L
----
E
N
L
-------
G
--
D
N
R
L
-
I
L
M
T
A
H
R
--
R
--
E
N
L
--
G
E
P
M
Q
G
M
F
E
A
V
R
E
I
V
E
S
R
E
D
T
E
L
V
Y
P
M
H
L
N
P
A
V
R
E
K
A
M
A
I
L
---
G
G
-
H
E
R
I
H
L
I
E
P
L
D
A
I
D
F
H
N
F
-
L
R
K
S
Y
L
V
F
T
D
S
G
G
V
Q
E
E
A
P
G
M
G
V
P
V
L
V
-
L
-
R
D
T
T
E
R
P
E
G
I
E
A
G
T
L
K
L
I
G
T
-
N
K
E
N
L
I
K
E
A
L
D
L
L
D
N
K
E
S
H
D
K
M
-
A
Q
A
A
N
P
Y
G
D
-
G
F
A
A
N
R
I
L
A
A
I
K
S
H
F
-
E
E
T
D
R
P
E
D
F
---
22
PsiBlast_CBE
75.68
71%
-2
- C2 -
3BEO
2
?
B:
[7-373]
-
E
R
L
K
V
M
T
I
F
G
T
R
P
E
A
I
K
M
A
P
L
V
L
E
L
Q
K
H
--
P
E
K
I
E
S
I
V
T
V
T
A
Q
H
R
Q
-
M
L
D
Q
V
L
--
S
I
F
G
I
-
T
P
D
F
D
L
N
I
M
-
K
D
R
Q
T
L
I
D
I
T
T
R
G
L
E
G
L
D
K
V
M
K
E
A
K
P
D
I
V
L
V
H
G
D
T
T
T
T
F
I
A
S
L
A
A
F
Y
N
Q
I
P
V
G
H
V
E
A
G
L
R
T
W
D
K
Y
S
P
Y
P
E
E
M
N
R
Q
L
T
G
V
M
A
-
D
L
H
F
S
P
T
A
K
S
A
T
N
L
Q
K
E
N
K
D
E
S
R
I
F
I
T
G
N
-
T
-
A
I
D
A
L
---------
K
T
T
V
K
-----
E
------------
T
----
Y
------------
S
----
H
------
P
V
L
----
E
K
L
-------
G
--
N
N
R
L
-
V
L
M
T
A
H
R
--
R
--
E
N
L
--
G
E
P
M
R
N
M
F
R
A
I
K
R
L
V
D
K
H
E
D
V
Q
V
V
Y
P
V
H
M
N
P
V
V
R
E
T
A
N
D
I
L
---
G
D
-
Y
G
R
I
H
L
I
E
P
L
D
V
I
D
F
H
N
V
-
A
A
R
S
Y
L
M
L
T
D
S
G
G
V
Q
E
E
A
P
S
L
G
V
P
V
L
V
-
L
-
R
D
T
T
E
R
P
E
G
I
E
A
G
T
L
K
L
A
G
T
-
D
E
E
T
I
F
S
L
A
D
E
L
L
S
D
K
E
A
H
D
K
M
-
S
K
A
S
N
P
Y
G
D
-
G
R
A
S
E
R
I
V
E
A
I
L
K
H
F
-------------
7
PsiBlast_PDB
75.04
54%
-28
- C2 -
1VGV
-
WECB_ECOLI
A:
[2-369]
----
K
V
L
T
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
H
A
L
A
K
D
--
P
F
-
F
E
A
K
V
C
V
T
A
Q
H
R
E
-
M
L
D
Q
V
L
--
K
L
F
S
I
-
V
P
D
Y
D
L
N
I
M
-
Q
P
G
Q
G
L
T
E
I
T
C
R
I
L
E
G
L
K
P
I
L
A
E
F
K
P
D
V
V
L
V
H
G
D
T
T
T
T
L
A
T
S
L
A
A
F
Y
Q
R
I
P
V
G
H
V
E
A
G
L
R
T
G
D
L
Y
S
P
W
P
E
E
A
N
R
T
L
T
G
H
L
A
-
M
Y
H
F
S
P
T
E
T
S
R
Q
N
L
L
R
E
N
V
A
D
S
R
I
F
I
T
G
N
-
T
-
V
I
D
A
L
----------
L
W
V
R
-----
D
QVMSS
D
K
L
R
S
E
L
A
----
A
------------
N
----
Y
------
P
F
I
----
D
P
-----------
D
K
K
M
-
I
L
V
T
G
H
R
--
R
--
E
S
F
--
G
R
G
F
E
E
I
C
H
A
L
A
D
I
A
T
T
H
Q
D
I
Q
I
V
Y
P
V
H
L
N
P
N
V
R
E
P
V
N
R
I
L
---
G
H
-
V
K
N
V
I
L
I
D
P
Q
E
Y
L
P
F
V
W
L
-
M
N
H
A
W
L
I
L
T
D
S
G
G
I
Q
E
E
A
P
S
L
G
K
P
V
L
V
-
M
-
R
D
T
T
E
R
P
E
A
V
T
A
G
T
V
R
L
V
G
T
-
D
K
Q
R
I
V
E
E
V
T
R
L
L
K
D
E
N
E
Y
Q
A
M
-
S
R
A
H
N
P
Y
G
D
-
G
Q
A
C
S
R
I
L
E
A
L
-----------------
26
HHSearch
74.79
93%
24
- C2 -
4FKZ
2
MNAA_BACSU
A:
[2-380]
-
K
K
L
K
V
M
T
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
L
E
L
K
K
Y
P-
E
--
I
D
S
Y
V
T
V
T
A
Q
H
R
Q
-
M
L
D
Q
V
L
--
D
A
F
H
I
-
K
P
D
F
D
L
N
I
M
-
K
E
R
Q
T
L
A
E
I
T
S
N
A
L
V
R
L
D
E
L
F
K
D
I
K
P
D
I
V
L
V
H
G
D
T
T
T
T
F
A
G
S
L
A
A
F
Y
H
Q
I
A
V
G
H
V
E
A
G
L
R
T
G
N
K
Y
S
P
F
P
E
E
L
N
R
Q
M
T
G
A
I
A
-
D
L
H
F
A
P
T
G
Q
A
K
D
N
L
L
K
E
N
K
K
A
D
S
I
F
V
T
G
N
-
T
A
I
D
A
L
N
---------
T
T
V
R
D
-----
G
------------
Y
----
S
------------
H
----
P
------
V
L
-----
D
Q
V
-------
G
--
E
D
K
M
-
I
L
L
T
A
H
R
--
R
E-
N
-
L
--
G
E
P
M
E
N
M
F
K
A
I
R
R
I
V
G
E
F
E
D
V
Q
V
V
Y
P
V
H
L
N
P
V
V
R
E
A
A
H
K
H
F
----
G
D
S
D
R
V
H
L
I
E
P
L
E
V
I
D
F
H
N
F
-
A
A
K
S
H
F
I
L
T
D
S
G
G
V
Q
E
E
A
P
S
L
G
K
P
V
L
V
L
R
--
D
T
T
E
R
P
E
G
V
E
A
G
T
-
L
K
L
A
G
T
D
E
E
N
I
Y
Q
L
A
K
Q
L
L
T
D
P
D
E
Y
K
K
M
-
S
Q
A
S
N
P
Y
G
D
-
G
E
A
S
R
R
I
V
E
E
L
L
F
H
Y
G
Y
R
K
E
Q
P
D
S
F
T
G
K
30
HHSearch
73.72
49%
-40
- C2 -
3DZC
2
?
A:
[24-395]
-
A
M
K
K
V
L
I
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
Q
Q
L
C
Q
D
--
N
R
-
F
V
A
K
V
C
V
T
G
Q
H
R
E
-
M
L
D
Q
V
L
--
E
L
F
S
I
-
T
P
D
F
D
L
N
I
M
-
E
P
G
Q
T
L
N
G
V
T
S
K
I
L
L
G
M
Q
Q
V
L
S
S
E
Q
P
D
V
V
L
V
H
G
D
T
A
T
T
F
A
A
S
L
A
A
Y
Y
Q
Q
I
P
V
G
H
V
E
A
G
L
R
T
G
N
I
Y
S
P
W
P
E
E
G
N
R
K
L
T
A
A
L
T
-
Q
Y
H
F
A
P
T
D
T
S
R
A
N
L
L
Q
E
N
Y
N
A
E
N
I
F
V
T
G
N
-
T
-
V
I
D
A
L
---------
L
A
V
R
E
-----
K
------------
I
H
T
D
M
D
------------
L
Q
A
T
L
E
------
S
Q
F
----
P
M
L
-------
D
--
A
S
K
K
-
L
I
L
V
T
G
H
R
R
E
--
S
-
F
--
G
G
G
F
E
R
I
C
Q
A
L
I
T
T
A
E
Q
H
P
E
C
Q
I
L
Y
P
V
H
L
N
P
N
V
R
E
P
V
N
K
L
L
----
K
G
V
S
N
I
V
L
I
E
P
Q
Q
Y
L
P
F
V
Y
L
-
M
D
R
A
H
I
I
L
T
D
S
G
G
I
Q
E
E
A
P
S
L
G
K
P
V
L
V
-
M
-
R
E
T
T
E
R
P
E
A
V
A
A
G
T
V
K
L
V
G
T
-
N
Q
Q
Q
I
C
D
A
L
S
L
L
L
T
D
P
Q
A
Y
Q
A
M
-
S
Q
A
H
----
N
-
P
Y
G
D
G
K
A
C
Q
R
I
A
D
I
L
A
------------
8
PsiBlast_PDB
73.22
54%
-29
- C2 -
1F6D
3
WECB_ECOLI
A:
[2-369]
----
K
V
L
T
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
H
A
L
A
K
D
--
P
F
-
F
E
A
K
V
C
V
T
A
Q
H
R
E
-
M
L
D
Q
V
L
--
K
L
F
S
I
-
V
P
D
Y
D
L
N
I
M
-
Q
P
G
Q
G
L
T
E
I
T
C
R
I
L
E
G
L
K
P
I
L
A
E
F
K
P
D
V
V
L
V
H
G
D
T
T
T
T
L
A
T
S
L
A
A
F
Y
Q
R
I
P
V
G
H
V
E
A
G
L
R
T
G
D
L
Y
S
P
W
P
E
E
A
N
R
T
L
T
G
H
L
A
-
M
Y
H
F
S
P
T
E
T
S
R
Q
N
L
L
R
E
N
V
A
D
S
R
I
F
I
T
G
N
-
T
-
V
I
D
A
L
----------
L
W
V
R
-----
D
QVMSS
D
K
L
R
S
E
L
A
----
A
------------
N
----
Y
------
P
F
I
----
D
P
-----------
D
K
K
M
-
I
L
V
T
G
H
R
--
R
--
E
S
F
--
G
R
G
F
E
E
I
C
H
A
L
A
D
I
A
T
T
H
Q
D
I
Q
I
V
Y
P
V
H
L
N
P
N
V
R
E
P
V
N
R
I
L
---
G
H
-
V
K
N
V
I
L
I
D
P
Q
E
Y
L
P
F
V
W
L
-
M
N
H
A
W
L
I
L
T
D
S
G
G
I
Q
E
E
A
P
S
L
G
K
P
V
L
V
-
M
-
R
D
T
T
E
R
P
E
A
V
T
A
G
T
V
R
L
V
G
T
-
D
K
Q
R
I
V
E
E
V
T
R
L
L
K
D
E
N
E
Y
Q
A
M
-
S
R
A
H
N
P
Y
G
D
-
G
Q
A
C
S
R
I
L
E
A
L
-----------------
6
PsiBlast_PDB
72.87
53%
-27
- C2 -
3DZC
2
?
A:
[27-394]
----
K
V
L
I
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
Q
Q
L
C
Q
D
--
N
R
-
F
V
A
K
V
C
V
T
G
Q
H
R
E
-
M
L
D
Q
V
L
--
E
L
F
S
I
-
T
P
D
F
D
L
N
I
M
-
E
P
G
Q
T
L
N
G
V
T
S
K
I
L
L
G
M
Q
Q
V
L
S
S
E
Q
P
D
V
V
L
V
H
G
D
T
A
T
T
F
A
A
S
L
A
A
Y
Y
Q
Q
I
P
V
G
H
V
E
A
G
L
R
T
G
N
I
Y
S
P
W
P
E
E
G
N
R
K
L
T
A
A
L
T
-
Q
Y
H
F
A
P
T
D
T
S
R
A
N
L
L
Q
E
N
Y
N
A
E
N
I
F
V
T
G
N
-
T
-
V
I
D
A
L
----------
L
A
V
R
-----
E
------------
K
----
I
H
T
D
M
D
L
Q
A
T
L
E
S
Q
----
F
------
P
M
L
----
D
---------
A
--
S
K
K
L
-
I
L
V
T
G
H
R
--
R
--
E
S
F
--
G
G
G
F
E
R
I
C
Q
A
L
I
T
T
A
E
Q
H
P
E
C
Q
I
L
Y
P
V
H
L
N
P
N
V
R
E
P
V
N
K
L
L
---
K
G
-
V
S
N
I
V
L
I
E
P
Q
Q
Y
L
P
F
V
Y
L
-
M
D
R
A
H
I
I
L
T
D
S
G
G
I
Q
E
E
A
P
S
L
G
K
P
V
L
V
-
M
-
R
E
T
T
E
R
P
E
A
V
A
A
G
T
V
K
L
V
G
T
-
N
Q
Q
Q
I
C
D
A
L
S
L
L
L
T
D
P
Q
A
Y
Q
A
M
-
S
Q
A
H
N
P
Y
G
D
-
G
K
A
C
Q
R
I
A
D
I
L
-----------------
23
PsiBlast_CBE
72.30
53%
-28
- C2 -
3DZC
2
?
B:
[27-394]
----
K
V
L
I
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
Q
Q
L
C
Q
D
--
N
R
-
F
V
A
K
V
C
V
T
G
Q
H
R
E
-
M
L
D
Q
V
L
--
E
L
F
S
I
-
T
P
D
F
D
L
N
I
M
-
E
P
G
Q
T
L
N
G
V
T
S
K
I
L
L
G
M
Q
Q
V
L
S
S
E
Q
P
D
V
V
L
V
H
G
D
T
A
T
T
F
A
A
S
L
A
A
Y
Y
Q
Q
I
P
V
G
H
V
E
A
G
L
R
T
G
N
I
Y
S
P
W
P
E
E
G
N
R
K
L
T
A
A
L
T
-
Q
Y
H
F
A
P
T
D
T
S
R
A
N
L
L
Q
E
N
Y
N
A
E
N
I
F
V
T
G
N
-
T
-
V
I
D
A
L
----------
L
A
V
R
-----
E
------------
K
----
I
HTDMDLQATLES
Q
----
F
------
P
M
L
----
D
---------
A
--
S
K
K
L
-
I
L
V
T
G
H
R
--
R
--
E
S
F
--
G
G
G
F
E
R
I
C
Q
A
L
I
T
T
A
E
Q
H
P
E
C
Q
I
L
Y
P
V
H
L
N
P
N
V
R
E
P
V
N
K
L
L
---
K
G
-
V
S
N
I
V
L
I
E
P
Q
Q
Y
L
P
F
V
Y
L
-
M
D
R
A
H
I
I
L
T
D
S
G
G
I
Q
E
E
A
P
S
L
G
K
P
V
L
V
-
M
-
R
E
T
T
E
R
P
E
A
V
A
A
G
T
V
K
L
V
G
T
-
N
Q
Q
Q
I
C
D
A
L
S
L
L
L
T
D
P
Q
A
Y
Q
A
M
-
S
Q
A
H
N
P
Y
G
D
-
G
K
A
C
Q
R
I
A
D
I
L
-----------------
2
PsiBlast_PDB
71.87
97%
-32
- C2 -
1O6C
-
MNAA_BACSU
A:
[2-378]
-
K
K
L
K
V
M
T
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
L
E
L
K
K
Y
--
P
E
-
I
D
S
Y
V
T
V
T
A
Q
H
R
Q
-
M
L
D
Q
V
L
--
D
A
F
H
I
-
K
P
D
F
D
L
N
I
M
-
K
E
R
Q
T
L
A
E
I
T
S
N
A
L
V
R
L
D
E
L
F
K
D
I
K
P
D
I
V
L
V
H
G
D
T
T
T
T
F
A
G
S
L
A
A
F
Y
H
Q
I
A
V
G
H
V
E
A
G
L
R
T
G
N
K
Y
S
P
F
P
E
E
L
N
R
Q
M
T
G
A
I
A
-
D
L
H
F
A
P
T
G
Q
A
K
D
N
L
L
K
E
N
K
K
A
D
S
I
F
V
T
G
N
-
T
-
A
I
D
A
L
---------
N
T
T
V
R
-----
D
------------
G
----
Y
------------
S
----
H
------
P
V
L
----
D
Q
V
-------
G
--
E
D
K
M
-
I
L
L
T
----------------
M
E
N
M
F
K
A
I
R
R
I
V
G
E
F
E
D
V
Q
V
V
Y
P
----
P
V
V
R
E
A
A
H
K
H
-----
D
-
S
D
R
V
H
L
I
E
P
L
E
V
I
D
F
H
N
F
-
A
A
K
S
H
F
I
L
T
D
--
G
V
Q
E
E
A
P
S
L
G
K
P
V
L
V
-
L
-
R
D
T
T
---
E
G
V
E
A
G
T
L
K
L
A
G
T
-
D
E
E
N
I
Y
Q
L
A
K
Q
L
L
T
D
P
D
E
Y
K
K
M
-
S
Q
A
S
N
P
Y
G
D
-
G
E
A
S
R
R
I
V
E
E
L
L
F
H
Y
G
Y
R
K
E
Q
P
D
S
F
T
--
27
HHSearch
70.00
60%
4
- C2 -
3OT5
2
?
A:
[26-398]
-
A
K
I
K
V
M
S
I
F
G
T
R
P
E
A
I
K
M
A
P
L
V
L
A
L
E
K
E
PE
T
--
F
E
S
T
V
V
I
T
A
------
L
D
Q
V
L
--
E
I
F
D
I
-
K
P
D
I
D
L
D
I
M
-
K
-
G
Q
T
L
A
E
I
T
S
R
V
M
N
G
I
N
E
V
I
A
A
E
N
P
D
I
V
L
V
H
G
D
T
T
T
S
F
A
A
G
L
A
T
F
Y
Q
Q
K
M
L
G
H
V
E
A
G
L
R
T
W
N
K
Y
S
P
F
P
E
E
M
N
R
Q
L
T
G
V
M
A
-
D
I
H
F
S
P
T
K
Q
A
K
E
N
L
L
A
E
G
K
D
P
A
T
I
F
V
T
G
N
-
T
A
I
D
A
L
K
---------
T
T
V
Q
K
-----
D
------------
Y
----
H
------------
H
----
P
-------
I
L
----
E
N
L
-------
G
--
D
N
R
L
-
I
L
M
T
A
H
R
--
R
--
E
N
L
--
G
E
P
M
Q
G
M
F
E
A
V
R
E
I
V
E
S
R
E
D
T
E
L
V
Y
P
M
H
L
N
P
A
V
R
E
K
A
M
A
I
L
----
G
G
H
E
R
I
H
L
I
E
P
L
D
A
I
D
F
H
N
F
-
L
R
K
S
Y
L
V
F
T
D
S
G
G
V
Q
E
E
A
P
G
M
G
V
P
V
L
V
-
L
-
R
D
T
T
E
R
P
E
G
I
E
A
G
T
L
K
L
I
G
T
-
N
K
E
N
L
I
K
E
A
L
D
L
L
D
N
K
E
S
H
D
K
M
-
A
Q
A
A
N
P
Y
G
D
-
G
F
A
A
N
R
I
L
A
A
I
K
S
H
F
E
E
T
D
R
P
-------
5
PsiBlast_PDB
69.86
54%
0
- C- -
5DLD
8
?
A:
[11-394]
----
K
I
L
L
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
R
A
L
K
A
R
--
A
D
-
V
D
A
K
V
C
V
T
A
Q
H
R
Q
-
M
L
D
Q
V
L
--
S
L
F
D
I
-
E
P
D
Y
D
L
D
L
M
-
R
Q
G
Q
T
L
S
D
V
T
T
G
I
L
H
A
I
G
A
V
F
D
D
L
R
P
D
I
V
L
V
H
G
D
T
T
T
T
L
A
V
S
L
A
A
F
Y
R
Y
L
P
I
G
H
V
E
A
G
L
R
S
G
D
I
W
S
P
W
P
E
E
L
N
R
R
V
T
D
A
V
S
-
S
W
H
F
A
P
T
G
Q
A
R
D
N
L
L
S
E
G
V
P
V
G
S
V
V
M
T
G
N
-
T
-
V
I
D
A
L
---------
H
D
V
K
H
M
L
E
R
D
D
------------
A
----
L
------------
S
----
R
E
V
A
A
R
F
P
F
L
----
D
P
T
-------
A
----
R
M
-
V
L
I
T
G
H
R
--
R
--
E
S
F
--
G
E
P
F
R
N
F
C
E
A
L
R
T
L
A
H
R
Y
R
D
A
Q
F
V
Y
P
L
H
L
N
P
N
V
R
E
P
A
L
A
L
L
---
G
G
-
E
A
N
I
Y
L
I
E
P
Q
E
Y
L
A
F
V
Y
L
-
M
S
R
S
H
F
I
I
T
D
S
G
G
I
Q
E
E
G
P
A
L
G
K
P
V
L
V
-
T
-
R
D
T
T
E
R
P
E
A
I
R
A
G
T
A
R
L
V
G
T
-
D
P
E
L
I
V
R
E
A
S
R
L
F
D
S
A
S
A
Y
D
E
M
-
A
R
A
S
N
P
Y
G
D
-
G
H
A
S
E
R
I
V
H
A
L
M
----------------
29
HHSearch
69.85
51%
-7
- C2 -
1VGV
-
WECB_ECOLI
A:
[1-376]
---
M
K
V
L
T
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
H
A
L
A
K
D
P-
F
--
F
E
A
K
V
C
V
T
A
Q
H
R
E
-
M
L
D
Q
V
L
--
K
L
F
S
I
-
V
P
D
Y
D
L
N
I
M
-
Q
P
G
Q
G
L
T
E
I
T
C
R
I
L
E
G
L
K
P
I
L
A
E
F
K
P
D
V
V
L
V
H
G
D
T
T
T
T
L
A
T
S
L
A
A
F
Y
Q
R
I
P
V
G
H
V
E
A
G
L
R
T
G
D
L
Y
S
P
W
P
E
E
A
N
R
T
L
T
G
H
L
A
-
M
Y
H
F
S
P
T
E
T
S
R
Q
N
L
L
R
E
N
V
A
D
S
R
I
F
I
T
G
N
-
T
-
V
I
D
A
L
---------
L
W
V
R
D
-----
Q
------------
V
MSS
D
K
------------
L
----
R
------
S
E
L
A
A
NY
P
F
I
-------
D
--
P
D
K
K
-
M
I
L
V
T
G
H
--
R
RE
S
-
F
--
G
R
G
F
E
E
I
C
H
A
L
A
D
I
A
T
T
H
Q
D
I
Q
I
V
Y
P
V
H
L
N
P
N
V
R
E
P
V
N
R
I
L
----
G
H
V
K
N
V
I
L
I
D
P
Q
E
Y
L
P
F
V
W
L
-
M
N
H
A
W
L
I
L
T
D
S
G
G
I
Q
E
E
A
P
S
L
G
K
P
V
L
V
M
R
--
D
T
T
E
R
P
E
A
V
T
A
G
T
V
R
L
V
G
T
-
D
K
Q
R
I
V
E
E
V
T
R
L
L
K
D
E
N
E
Y
Q
A
M
-
S
R
A
----
H
N
-
P
Y
G
D
G
Q
A
C
S
R
I
L
E
A
L
K
N
N
R
I
S
L
------
28
HHSearch
67.88
44%
-9
- C2 -
1V4V
2
?
A:
[4-371]
-
G
M
K
R
V
V
L
A
F
G
T
R
P
E
A
T
K
M
A
P
V
Y
L
A
L
R
G
I
P-
G
--
L
K
P
L
V
L
L
T
G
Q
H
R
E
-
Q
L
R
Q
A
L
--
S
L
F
G
I
-
Q
E
D
R
N
L
D
V
M
-
Q
E
R
Q
A
L
P
D
L
A
A
R
I
L
P
Q
A
A
R
A
L
K
E
M
G
A
D
Y
V
L
V
H
G
D
T
L
T
T
F
A
V
A
W
A
A
F
L
E
G
I
P
V
G
H
V
E
A
G
L
R
S
G
N
L
K
E
P
F
P
E
E
A
N
R
R
L
T
D
V
L
T
-
D
L
D
F
A
P
T
P
L
A
K
A
N
L
L
K
E
G
K
R
E
E
G
I
L
V
T
G
Q
T
G
-
V
D
A
V
L
---------
L
A
A
K
L
-----
G
-----------------
R
------------
L
-------------
P
----
E
G
L
-------
P
--
E
G
P
Y
-
V
T
V
T
M
H
R
--
R
--
E
-
N
--
W
P
L
L
S
D
L
A
Q
A
L
K
R
V
A
E
A
F
P
H
L
T
F
V
Y
P
V
H
L
N
P
V
V
R
E
A
V
F
P
V
L
----
K
G
V
R
N
F
V
L
L
D
P
L
E
Y
G
S
M
A
A
L
-
M
R
A
S
L
L
L
V
T
D
S
G
G
L
Q
E
E
G
A
A
L
G
V
P
V
V
V
-
L
-
R
N
V
T
E
R
P
E
G
L
K
A
G
I
L
K
L
A
G
T
-
D
P
E
G
V
Y
R
V
V
K
G
L
L
E
N
P
E
E
L
S
R
M
-
R
K
A
K
N
P
Y
G
D
-
G
K
A
G
L
M
V
A
R
G
V
A
W
R
L
G
L
G
P
R
P
-------
49
Fugue
63.88
54%
25
- C2 -
1F6D
3
WECB_ECOLI
A:
[2-376]
----
K
V
L
T
V
F
G
T
R
P
E
A
I
K
M
A
P
L
V
H
A
L
A
K
D
--
P
F
-
F
E
A
K
V
C
V
T
A
Q
H
R
E
M
L
-
D
Q
V
L
--
K
L
F
S
I
-
V
P
D
Y
D
L
N
I
-M
Q
P
G
Q
G
L
T
E
I
T
C
R
I
L
E
G
L
K
P
I
L
A
E
F
K
P
D
V
V
L
V
H
G
D
T
T
T
T
L
A
T
S
L
A
A
F
Y
Q
R
I
P
V
G
H
V
E
A
G
L
R
T
G
D
L
Y
S
P
W
P
E
E
A
N
R
T
L
T
G
H
L
A
M
Y
-
H
F
S
P
T
E
T
S
R
Q
N
L
L
R
E
N
V
A
D
S
R
I
F
I
T
G
N
-
T
-
V
I
D
A
L
---------
L
W
V
R
D
-----
Q
------------
V
M---
S
------------
S
----
D
------
K
L
R
----
S
E
L
A
A
N
Y
PFI
D
--
P
D
K
K
M
I
L
V
T
G
H
R
--
R
--
E
S
F
--
G
R
G
F
E
E
I
C
H
A
L
A
D
I
A
T
T
H
Q
D
I
Q
I
V
Y
P
V
H
L
N
P
N
V
R
E
P
V
N
R
I
L
---
G
H
-
V
K
N
V
I
L
I
D
P
Q
E
Y
L
P
F
V
W
L
M
N
-
H
A
W
L
I
L
T
D
S
G
G
I
Q
E
E
A
P
S
L
G
K
P
V
L
V
--M
R
D
T
T
E
R
P
E
A
V
T
A
G
T
V
R
L
V
G
T
-
D
K
Q
R
I
V
E
E
V
T
R
L
L
K
D
E
N
E
Y
Q
-
A
M
S
R
A
H
N
P
Y
G
D
-
G
Q
A
C
S
R
I
L
E
A
L
K
N
N
R
I
S
L
----------
10
PsiBlast_PDB
52.43
35%
23
- C2 -
4NEQ
1
WECB_METJA
A:
[2-363]
----
K
L
S
I
I
L
G
T
R
P
E
I
I
K
L
S
P
I
I
R
A
L
E
K
---
T
N
-
I
D
W
H
I
I
H
T
N
-----
N
M
D
K
I
F
F
-
E
E
L
N
L
P
N
P
K
Y
N
L
N
I
G
-
S
--
G
T
H
G
E
Q
T
G
K
M
L
I
E
I
E
K
V
L
L
K
E
K
P
D
V
V
V
V
Q
G
D
T
N
T
V
L
A
G
A
L
V
A
S
K
L
K
I
D
V
A
H
V
E
A
G
L
R
S
F
D
R
N
M
P
--
E
E
I
N
R
V
L
T
D
H
I
S
-
S
Y
L
F
A
P
T
E
I
A
K
N
N
L
L
R
E
G
I
E
E
N
K
I
F
V
V
G
N
-
T
-
I
V
D
A
T
L
Q
N
L
K
I
A
E
K
N
E
N
V
R
-----
A
------------
F
----
F
------------
N
----
S
------
V
V
I
----
D
-------------
D
D
Y
-
F
L
L
T
L
H
R
--
A
--
E
N
V
DN
K
E
R
L
K
N
I
V
E
G
I
F
E
I
I
-
E
I
Y
D
K
A
I
I
F
S
I
H
P
R
T
K
K
R
L
K
E
F
N
L
F
D
K
L
K
S
-
N
K
K
I
K
I
I
E
P
V
G
Y
L
E
F
L
M
L
-
E
K
N
A
E
L
I
L
T
D
S
G
G
V
Q
E
E
A
C
I
L
K
V
P
C
I
T
-
L
-
R
D
N
T
E
R
P
E
T
V
E
V
G
A
N
I
L
V
G
D
-
N
K
E
K
L
I
K
A
V
E
I
M
L
N
K
K
R
N
W
K
-------
N
P
F
G
N
-
G
K
S
G
E
R
I
V
R
I
L
T
Y
---------------
11
PsiBlast_PDB
51.96
27%
18
- C2 -
4HWG
1
?
A:
[10-376]
---
L
K
V
M
T
I
V
G
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L
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K
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C
C
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--
T
K
--
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M
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S
-
H
-
M
P
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V
L
---------
D
R
F
M
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-----
K
------------
I
----
L
------------
K
----
S
------
D
I
L
----
D
K
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-------
S
LT
P
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--
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-------
K
N
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L
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L
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L
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L
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F
---
K
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-
I
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L
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Y
V
D
Y
-----------