@TOME V2.3
(Mar 2018)
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 : spr0047: (2017-12-14 )
MTYEVKSLNEECGVFGIWGHPDAAKLTYFGLHSLQHRGQEGAGILSNDQGQLKRHRDMGLLSEVFRNPANLDKLTGTGAIGHVRYATAGEASVDNIQPFLFRFHDMQFGLAHNGNLTNAASLKKELEQRGAIFSATSDSEILAHLIRRSHNPSLMGKIKEALSLVKGGFAYILLFEDKLIAALDPNGFRPLSIGKMANGAVVVSSETCAFEVIGAEWIRDLKPGEIVIIDDEGIQYDSYTDDTQLAVCSMEYIYFARPDSNIHGVNVHTARKRMGAQLAREFKHEADIVVGVPNSSLSAAMGFAEEAGLPNEMGLIKNQYTQRTFIQPTQELREQGVRMKLSAVSGVVKGKRVVMVDDSIVRGTTSRRIVQLLKEAGATEVHVAIGSPALAYPCFYGIDIQTRQELIAANHTVEETRQIIGADSMTYLSIDGLIESIGIETDAPNGGLCVAYFDGDYPTPLYDYEEDYRRSLEEKTSFYK
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-----------------
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
T
Y
E
VKSLNEEC
G
V
F
G
IWG----HPD
A
A
K
L
T
Y
F
G
L
H
S
L
Q
HRGQEGAGILS-N
D
Q
-
G
Q
L
K
R
H
R
D
M
-
G
L
L
S
E
V
FRNPANLDKLTGTGAI
G
H
V
R
Y
ATAGEASVDN
I
Q
P
F
L
F
R
F
HD
M
-
Q
F
G--LAHNGNLT
N
A
A
S
L
K
K
E
L
-
E
QR-G
A
I
FSATS
D
S
E
I
L
A
H
L
I
RRS-----H--
N
--
P
---------
S
L
M
G
K
I
K
E
A
L
S
L
VKG
G
F
A
Y
I
-
L
L
--FE---D
K
L
I
A
A
LDPNG
F
R
PLSIGKM----AN----
G
A
V
V
V
SSET
C
A
F
E
V
I
G
A
E
W
I
R
DLKPG
E
I
V
I
IDDEG-----IQY-------------D-SYTDDT
Q
L
A
-
V
C
S
M
E
Y
I
Y
F
ARPDSNIH
G
V
N
V
H
T
A
R
K
R
M
G
A
Q
L
----
A
R
E
FK-----H-E--A
D
I
V
V
GVPN-S
S
L
S
A
A
MG
F
A
E
EAGLP
N
E
M
G
L
I
K
NQYTQRTFIQ
P
--
T
Q
E
L
R
EQGV
R
M
K
L
S
A
VSGVVKG
K
R
V
V
M
VDDSIV-------------------------RGT
T
S
R
R
I
V
Q
L
L
K
EAGA
T
E
V
H
V
A
IGSPALAY
P
C
F
YGI
D
I
Q
T
R
Q
E
L
I
AANH
T
V
E
E
T
R
Q
I
IGAD
S
M
T
Y
L
S
I
D
G
L
I
E
S
IGIETDAPNG
G
L
C
V
A
Y
FDGDYPTPLYDY
E
E
D
Y
R
R
S
L
------
E
E
KTSFYK-------------------
62
Fugue
75.81
60%
-6
- C1 -
-
1AO0
4
PUR1_BACSU
A:
[1-459]
-----------
C
G
V
F
G
I
W
G
----
H
E
E
A
P
Q
I
T
Y
Y
G
L
H
S
L
Q
H
R
G
Q
E
G
A
G
I
V
A
T
D
G
--
E
K
L
T
A
H
K
G
Q
-
G
L
I
T
E
V
F
-
Q
N
G
E
L
S
K
V
K
G
K
G
A
I
G
H
V
R
Y
A
T
G
----
Y
E
N
V
Q
P
L
L
F
R
S
Q
N
N
G
S
L
A
--
L
A
H
N
G
N
L
V
N
A
T
Q
L
K
Q
Q
L
-
E
N
Q
-
G
S
I
F
Q
T
S
S
D
T
E
V
L
A
H
L
I
K
R
S
-----
G
HF-------------
T
L
K
D
Q
I
K
N
S
L
S
M
L
K
G
A
Y
A
F
L
-
I
M
--
T
E
T---
E
M
I
V
A
L
D
P
N
G
L
R
P
L
S
I
G
M
M
G---------
D
A
Y
V
V
A
S
E
T
C
A
F
D
V
V
G
A
T
Y
L
R
E
V
E
P
G
E
M
L
I
I
N
D
E
-
G
M
K
S
E
R
F
S
-------------
M
-----
N
I
N
R
S
-
I
C
S
M
E
Y
I
Y
F
S
R
P
D
S
N
I
D
G
I
N
V
H
S
A
R
K
N
L
G
K
M
L
----
A
Q
E
S
A
--------
V
E
A
D
V
V
T
G
V
P
D
-
S
S
I
S
A
A
I
G
Y
A
E
A
T
G
I
P
Y
E
L
G
L
I
K
N
R
Y
V
G
R
T
F
I
--QP
S
Q
A
L
R
E
Q
G
V
R
M
K
L
S
A
V
R
G
V
V
E
G
K
R
V
V
M
V
D
D
S
I
V
-------------------------
R
G
T
T
S
R
R
I
V
T
M
L
R
E
A
G
A
T
E
V
H
V
K
I
S
S
P
P
I
A
H
P
C
F
Y
G
I
D
T
S
T
H
E
E
L
I
A
S
S
H
S
V
E
E
I
R
Q
E
I
G
A
D
T
L
S
F
L
S
V
E
G
L
L
K
G
I
G
R
K
Y
D
D
S
N
C
G
Q
C
L
A
C
F
T
G
K
Y
P
T
E
-
I
Y
Q
D
T
V
-
L
P
H
V
------
K
--------------------------
38
HHSearch
65.94
39%
-8
- C1 -
-
1ECF
3
PUR1_ECOLI
B:
[1-473]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
N
N
C
F
R
L
R
K
A
N
-
G
L
V
S
D
V
F
E
A
-
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
Y
V
N
S
-
P
Y
-
G
I
T
--
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
-
F
E
E
K
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
-----
L
--
D
--
N
FRHYPLEAD
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
-
A
M
--
I
I
G--
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
----
D
I
DENR
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
R
Q
C
A
D
N
P
V
S
N
-
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
----
G
E
K
I
A
REWED
L
-
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--
G
Q
Q
L
R
R
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
-
P
D
I
Q
Q
F
E
C
S
V
F
N
G
V
Y
V
T
K
D
V
D
Q
G
----------------------------------------
1
PsiBlast_PDB
65.08
38%
-11
* C1 *
-
1ECF
3
PUR1_ECOLI
A:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
I
T
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
L
D
NFR
H
--
Y
--
P
LE
A
D
-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
D
IDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
G
E
K
I
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--
G
Q
Q
L
R
R
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
27
PsiBlast_CBE
64.95
38%
-18
- C1 -
-
1ECB
3
PUR1_ECOLI
B:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
I
T
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
L
D
N
FR
H
--
Y
--
P
LE
A
D
-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
D
IDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
G
E
K
I
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
----------
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
25
PsiBlast_CBE
64.92
38%
-16
- C1 -
-
1ECB
3
PUR1_ECOLI
D:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
IT
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
LDNFR
H
--
Y
--
P
LEAD-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
DIDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
GEKI
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
----------
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
3
PsiBlast_PDB
64.79
38%
-16
- C1 -
-
1ECB
3
PUR1_ECOLI
A:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
I
T
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
L
D
N
FR
H
--
Y
--
P
LE
A
D
-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
D
IDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
G
E
K
I
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--------
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
24
PsiBlast_CBE
64.64
38%
-2
- C1 -
-
1ECC
3
PUR1_ECOLI
B:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
IT
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
LDNFR
H
--
Y
--
P
LEAD-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
DIDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
GEKI
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--
G
Q
Q
L
R
R
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
2
PsiBlast_PDB
64.53
38%
-8
- C1 -
-
1ECG
4
PUR1_ECOLI
A:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
I
T
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
L
D
NFR
H
--
Y
--
P
LE
A
D
-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
D
IDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
G
E
K
I
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--
G
Q
Q
L
R
R
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
21
PsiBlast_CBE
64.52
38%
-11
- C1 -
-
1ECJ
1
PUR1_ECOLI
C:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
IT
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
LDNFR
H
--
Y
--
P
LEAD-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
DIDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
GEKI
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--
G
Q
Q
L
R
R
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
23
PsiBlast_CBE
64.48
38%
-8
- C1 -
-
1ECF
3
PUR1_ECOLI
B:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
IT
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
LDNFR
H
--
Y
--
P
LEAD-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
DIDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
GEKI
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--
G
Q
Q
L
R
R
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
5
PsiBlast_PDB
64.41
38%
-9
- C1 -
-
1ECJ
1
PUR1_ECOLI
A:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
I
T
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
L
D
NFR
H
--
Y
--
P
LE
A
D
-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
D
IDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
G
E
K
I
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--
G
Q
Q
L
R
R
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
4
PsiBlast_PDB
64.32
38%
-6
- C1 -
-
1ECC
3
PUR1_ECOLI
A:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
I
T
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
L
D
NFR
H
--
Y
--
P
LE
A
D
-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
D
IDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
G
E
K
I
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--
G
Q
Q
L
R
R
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
22
PsiBlast_CBE
64.31
38%
-8
- C1 -
-
1ECG
4
PUR1_ECOLI
B:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
IT
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
LDNFR
H
--
Y
--
P
LEAD-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
DIDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
GEKI
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--
G
Q
Q
L
R
R
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
26
PsiBlast_CBE
64.03
38%
-9
- C1 -
-
1ECB
3
PUR1_ECOLI
C:
[1-471]
-----------
C
G
I
V
G
I
A
G
----
V
M
P
V
N
Q
S
I
Y
D
A
L
T
V
L
Q
H
R
G
Q
D
A
A
G
I
I
T
-
I
D
A
-
N
N
C
F
R
L
R
K
A
N
G
L
V
S
D
V
F
E
-
A
R
H
M
Q
R
L
Q
G
N
M
G
I
G
H
V
R
Y
P
T
A
G
S
S
S
A
S
E
A
Q
P
F
---
Y
V
N
S
-
P
Y
G
I
T
L
A
H
N
G
N
L
T
N
A
H
E
L
R
K
K
L
F
E
E
K
-
R
R
H
I
N
T
T
S
D
S
E
I
L
L
N
I
F
A
S
E
L
D
NFR
H
--
Y
--
P
LE
A
D
-----
N
I
F
A
A
I
A
A
T
N
R
L
I
R
G
A
Y
A
C
V
A
M
I
--
I
G
---
H
G
M
V
A
F
R
D
P
N
G
I
R
P
L
V
L
G
K
R
D
IDE
N
R
----
T
E
Y
M
V
A
S
E
S
V
A
L
D
T
L
G
F
D
F
L
R
D
V
A
P
G
E
A
I
Y
I
T
E
E
G
-----
Q
L
F
-------------
T
-
R
Q
C
A
D
N
P
V
S
N
P
C
L
F
E
Y
V
Y
F
A
R
P
D
S
F
I
D
K
I
S
V
Y
S
A
R
V
N
M
G
T
K
L
G
E
K
I
A
R
E
W
E
-----
D
L
D
--
I
D
V
V
I
P
I
P
E
-
T
S
C
D
I
A
L
E
I
A
R
I
L
G
K
P
Y
R
Q
G
F
V
K
N
R
Y
V
G
R
T
F
I
M
P
--
G
Q
Q
L
R
R
K
S
V
R
R
K
L
N
A
N
R
A
E
F
R
D
K
N
V
L
L
V
D
D
S
I
V
-------------------------
R
G
T
T
S
E
Q
I
I
E
M
A
R
E
A
G
A
K
K
V
Y
L
A
S
A
A
P
E
I
R
F
P
N
V
Y
G
I
D
M
P
S
A
T
E
L
I
A
H
G
R
E
V
D
E
I
R
Q
I
I
G
A
D
G
L
I
F
Q
D
L
N
D
L
I
D
A
V
R
A
E
N
P
D
I
Q
Q
F
E
C
-
S
V
F
N
G
V
Y
V
T
K
D
V
D
------------------------------------------
33
PsiBlast_CBE
40.17
50%
-198
- C1 -
-
5VN4
2
?
B:
[146-181]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
N
S
R
V
V
L
I
D
D
V
I
A
-------------------------
T
G
G
T
M
L
A
G
V
Q
L
V
D
A
C
G
A
T
L
V
E
V
A
-------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
39.32
50%
-192
- C1 -
-
5VN4
2
?
A:
[146-181]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
N
S
R
V
V
L
I
D
D
V
I
A
-------------------------
T
G
G
T
M
L
A
G
V
Q
L
V
D
A
C
G
A
T
L
V
E
V
A
-------------------------------------------------------------------------------------------------------------------------
68
Fugue
36.96
17%
0
- C- -
-
1CT9
2
ASNB_ECOLI
A:
[1-516]
-----------
A
S
I
F
G
V
F
D
IKTD
A
V
E
L
R
K
K
A
L
E
L
S
R
L
M
R
H
R
G
P
D
W
S
G
I
Y
A
-
S
D
N
------------------------------
A
I
L
A
H
E
R
L
S
I
V
D
V
N
A
G
A
--
Q
P
--
L
Y
N
Q
Q
K
-
T
H
V
--
L
A
V
N
G
E
I
Y
N
H
Q
A
L
R
A
E
Y
-
G
-
D
-
R
Y
Q
F
Q
T
G
S
D
C
E
V
I
L
A
L
Y
Q
E
K
-----
G
---------------------
P
E
F
L
D
D
L
Q
G
M
F
A
F
A
-
L
Y
D
S
E
K
---
D
A
Y
L
I
G
R
D
H
L
G
I
I
P
L
Y
M
G
Y
D
----
E
H
----
G
Q
L
Y
V
A
S
E
M
K
A
L
V
P
-
V
C
R
T
I
K
E
F
P
A
G
S
Y
L
W
S
Q
D
G
E
-----
I
R
S
YYHRDWFDYDAVK
D
-
N
V
T
D
K
N
E
L
R
-
Q
A
L
E
D
S
V
K
S
H
L
M
S
D
V
P
Y
G
V
L
L
S
G
G
L
D
S
S
I
I
S
A
----
I
T
K
K
Y
-----
A
-
L
--
H
S
F
A
V
G
L
P
G
S
P
D
L
K
A
A
Q
E
V
A
N
H
L
G
T
V
H
H
E
I
H
F
T
V
Q
E
G
L
D
A
I
R
D
V
--
I
Y
H
I
E
T
Y
D
V
T
T
I
R
A
S
T
P
M
Y
L
M
S
R
K
I
K
A
M
G
I
K
M
V
L
S
GEG
S
D
E
V
F
GGYLYFHKAPN
A
K
E
L
H
E
E
T
V
R
K
L
L
A
L
H
M
Y
D
C
A
R
A
N
K
A
M
S
A
W
G
V
E
A
R
V
P
F
L
D
K
K
F
L
D
V
A
M
R
I
N
P
Q
D
K
M
C
K
M
E
K
H
I
L
R
E
C
F
E
A
Y
L
P
A
S
V
A
W
R
Q
K
E
Q
F
S
D
G
V
G
Y
S
W
I
D
T
L
K
E
V
A
A
Q
Q
V
S
D
Q
Q
L
E
T
A
R
F
R
FPYNTP
T
S
K
E
A
Y
L
Y
R
E
I
F
E
E
L
F
PL
P
S
A
A
E
C
VPG
36
PsiBlast_CBE
32.67
31%
-129
- C1 -
-
5T3O
1
?
B:
[160-244]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
--
N
A
V
V
V
A
P
D
A
-
G
D
L
K
R
A
S
A
L
A
R
R
L
G
L
P
--
L
A
F
I
D
K
E
R
V
S
D
T
-----------
E
V
R
V
R
M
----
L
V
G
E
V
E
G
K
T
A
L
I
V
D
D
E
I
S
-------------------------
T
A
G
S
L
V
E
A
V
E
A
L
M
Q
A
G
A
K
E
V
Y
A
A
-------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
32.50
31%
-145
- C1 -
-
5T3O
1
?
A:
[160-244]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
--
N
A
V
V
V
A
P
D
A
-
G
D
L
K
R
A
S
A
L
A
R
R
L
G
L
P
--
L
A
F
I
D
K
E
R
V
S
D
T
-----------
E
V
R
V
R
M
----
L
V
G
E
V
E
G
K
T
A
L
I
V
D
D
E
I
S
-------------------------
T
A
G
S
L
V
E
A
V
E
A
L
M
Q
A
G
A
K
E
V
Y
A
A
-------------------------------------------------------------------------------------------------------------------------
46
HHSearch
32.49
29%
-34
- C1 -
-
1JXA
-
GLMS_ECOLI
C:
[1-222]
-----------
C
G
I
V
G
A
I
A
----
Q
R
D
V
A
E
I
L
L
E
G
L
R
R
L
E
Y
R
G
Y
D
S
A
G
L
A
V
-
V
D
A
E
G
H
M
T
R
L
R
R
L
-
G
K
V
Q
M
L
A
Q
A
A
-
E
E
H
P
L
H
G
G
T
G
I
A
H
T
R
W
A
T
H
G
E
P
S
E
V
N
A
H
P
H
V
S
----
E
-
H
I
V
--
V
V
H
N
G
I
I
E
N
H
E
P
L
R
E
E
L
-
K
A
R
-
G
Y
T
F
V
S
E
T
D
T
E
V
I
A
H
L
V
N
W
E
-----
L
--
K
QG
G
---------
T
L
R
E
A
V
L
R
A
I
P
Q
L
R
G
A
Y
G
T
V
-
I
M
--
D
S
RHP
D
T
L
L
A
A
R
S
G
---
S
P
L
V
I
G
L
G
----
M
-----
G
E
N
F
I
A
S
D
Q
L
A
L
L
P
V
T
-
R
R
F
I
F
L
E
E
G
D
I
A
E
I
T
R
R
S
-----
V
N
I
-------------
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------