@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 : I3U224: (2017-12-22 )
MKMKKRSVKQLGLGLISLGILGGLAACGNGNSSAEGEADEGKTLTVSVDSGYKDYINEIKNTFEKENDVKIKLVEKDMFDQLESLALDGPAGKGPDVMMAAYDRIGALGQQGHLAEVKLGNEAAYDETDKAQVTYDGKIYGEPAVIETLVLYYNKDLVDTAPSTFKDLENLSKDSRFAFESEAGKNTGFLAKWTDFYYSYGLIAGYGGYVFGDDGTNPSDIGLNNAGAVEGISYATDWFKNVWPKGMQDIKSAGDFASQQFMSNKTAAIIDGPWQAQTYKENNINYGVAKIPTLNNGQPYQPFGGGKGWVVSNYAKNKDLSQKWLDYVTNQENQEKFFEMVNEIPANQQARETAKAKNDELTTAVIEQYETAQAMPNIPEMGEVWTGAENLMFDAASGSKTPKESADEAVKTISEAIEQKY
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----------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MK
M
K
K
R
S
V
K
Q
L
G
L
G
L
I
S
L
G
I
L
G
G
L
AACGNGNSSAEGEADEG
K
T
L
T
V
S
VDS-G-
Y
K
D
Y
I
N
E
I
K
N
T
FEKEN
D
V
K
I
K
L
V
E
K
D
-
M
F
D
Q
L
E
S
LALDGPAGKGP
D
V
M
M
A
-
A
Y
D
R
I
GALGQQG
H
L
A
E
V
---K-LG--N---EAA---YDETD
K
A
Q
V
T
Y-D
G
K
IYG
E
P
A
V
I
E
T
L
V
L
Y
YNKDLVDTAP
S
T
F
K
D
L
E
N
LSKDS
R
F
A
FESEAG-KNTG
F
L
A
K
W
T
D
F
Y
Y
SYGLIAGYGG
Y
-
V
F--G-D--DG---T-
N
P
S
DIGLNNAGAVE
G
I
S
Y
A
T
D
W
F
K
-
N
V
W
-
P
K
G
M
Q
D
I
K
S
A
G
D
F
--
A
S
Q
Q
F
MSNK
T
A
A
I
IDGPWQA
Q
T
Y
KENNINYGVAKIPTLNNGQP-YQPFGGGKG
W
V
V
SNYAKNK
D
L
S
Q
K
W
L
-
D
-
Y
VTN
Q
E
N
Q
E
K
F
F
E
M
V
N
E------IP---A
N
Q
Q
A
R
E
T
-AKAKND
E
L
T
T
A
V
I
E
Q
Y
E
T
A
Q
AMPNIP
E
M
G
E
V
WTGAE
N
L
M
F
DAASGS-KTPK
E
S
A
D
E
A
V
K
T
I
S
---
E
A
I
EQKY-----------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
97.75
75%
-50
- C1 -
-
5TU0
3
?
A:
[6-388]
-------------------------------------
S
D
E
-
K
T
L
T
V
S
V
D
A
-
G
-
Y
K
D
Y
V
N
K
I
K
G
D
F
E
K
D
N
D
V
K
V
K
V
V
E
K
D
-
M
F
E
T
L
E
A
L
P
L
D
G
P
A
G
T
A
P
D
V
M
M
S
-
A
F
D
R
I
G
S
L
G
Q
Q
G
H
L
A
E
V
---
K
-
L
G
--
N
---
K
D
D
---
Y
D
E
K
D
Q
K
Q
V
T
I
-
D
D
K
I
Y
G
A
P
A
I
I
E
T
L
V
L
Y
Y
N
K
D
L
L
D
K
A
P
A
T
F
K
D
L
E
T
L
S
K
D
S
R
F
A
F
T
S
E
K
G
-
K
N
T
G
F
L
A
K
W
T
D
F
Y
F
S
Y
G
L
L
A
G
Y
G
G
Y
-
V
F
--
G
-
D
--
E
G
---
T
-
N
P
K
D
I
G
L
N
N
K
G
S
V
E
G
I
T
Y
A
T
K
W
F
Q
-
D
V
W
-
P
K
G
M
Q
D
N
K
S
A
D
D
F
--
I
Q
D
Q
F
V
K
G
K
A
A
A
I
L
G
G
P
W
S
A
A
N
Y
K
E
A
K
I
N
Y
G
V
A
K
I
P
T
L
N
N
G
K
E
-
Y
S
P
F
A
G
G
K
G
W
V
V
S
N
Y
S
K
N
K
D
V
A
Q
K
W
L
-
D
-
Y
V
T
N
Q
K
N
Q
E
T
L
Y
D
M
T
N
E
------
V
P
---
A
N
L
K
A
R
D
T
-
A
K
S
K
N
D
E
L
T
N
A
V
I
E
Q
Y
K
N
A
Q
P
M
P
N
I
P
E
M
S
E
V
W
T
G
A
E
N
L
K
F
D
A
A
S
G
S
-
K
T
P
Q
P
S
A
D
D
A
V
K
V
I
E
---
D
N
V
T
Q
K
Y
-----------------------------------------------------------------------------------------------------------------
40
HHSearch
96.15
75%
-44
- C1 -
-
5TU0
3
?
A:
[7-387]
---------------------------------------
D
E
K
T
L
T
V
S
V
D
A
-
G
-
Y
K
D
Y
V
N
K
I
K
G
D
F
E
K
D
N
D
V
K
V
K
V
V
E
K
D
-
M
F
E
T
L
E
A
L
P
L
D
G
P
A
G
T
A
P
D
V
M
M
S
-
A
F
D
R
I
G
S
L
G
Q
Q
G
H
L
A
E
V
---
K
-
L
G
--
N
---
K
D
D
---
Y
D
E
K
D
Q
K
Q
V
T
I
-
D
D
K
I
Y
G
A
P
A
I
I
E
T
L
V
L
Y
Y
N
K
D
L
L
D
K
A
P
A
T
F
K
D
L
E
T
L
S
K
D
S
R
F
A
F
T
S
E
K
G
-
K
N
T
G
F
L
A
K
W
T
D
F
Y
F
S
Y
G
L
L
A
G
Y
G
G
Y
-
V
F
--
G
-
D
--
E
G
---
T
-
N
P
K
D
I
G
L
N
N
K
G
S
V
E
G
I
T
Y
A
T
K
W
F
Q
-
D
V
W
-
P
K
G
M
Q
D
N
K
S
A
D
D
F
--
I
Q
D
Q
F
V
K
G
K
A
A
A
I
L
G
G
P
W
S
A
A
N
Y
K
E
A
K
I
N
Y
G
V
A
K
I
P
T
L
N
N
G
K
E
-
Y
S
P
F
A
G
G
K
G
W
V
V
S
N
Y
S
K
N
K
D
V
A
Q
K
W
L
-
D
-
Y
V
T
N
Q
K
N
Q
E
T
L
Y
D
M
T
N
E
------
V
P
---
A
N
L
K
A
R
D
T
A
K
S
-
K
N
D
E
L
T
N
A
V
I
E
Q
Y
K
N
A
Q
P
M
P
N
I
P
E
M
S
E
V
W
T
G
A
E
N
L
K
F
D
A
A
S
G
S
-
K
T
P
Q
P
S
A
D
D
A
V
K
V
I
E
---
D
N
V
T
Q
K
------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
74.15
53%
1
- C1 -
-
2XD3
1
MALX_STRPN
A:
[36-410]
------------------------------------------
E
L
T
V
Y
V
D
E
-
G
-
Y
K
S
Y
I
E
E
V
A
K
A
Y
E
K
E
A
G
V
K
V
T
L
K
T
G
D
-
A
L
G
G
L
D
K
L
S
L
D
N
Q
N
G
N
V
P
D
V
M
M
A
-
P
Y
D
R
V
G
S
L
G
S
D
G
Q
L
S
E
V
---
K
-
L
S
--
D
---
G
A
K
---
T
D
D
T
T
K
S
L
V
T
A
A
N
G
K
V
Y
G
A
P
A
V
I
E
S
L
V
M
Y
Y
N
K
D
L
V
K
D
A
P
K
T
F
A
D
L
E
N
L
A
K
D
S
K
Y
A
F
A
G
E
D
G
-
K
T
T
A
F
L
A
D
W
T
N
F
Y
Y
T
Y
G
L
L
A
G
N
G
A
Y
-
V
F
--
G
-
Q
--
N
G
---
K
-
D
A
K
D
I
G
L
A
N
D
G
S
I
V
G
I
N
Y
A
K
S
W
Y
E
-
K
-
W
-
P
K
G
M
Q
D
T
E
G
A
G
N
L
--
I
Q
T
Q
F
Q
E
G
K
T
A
A
I
I
D
G
P
W
K
A
Q
A
F
K
D
A
K
V
N
Y
G
V
A
T
I
P
T
L
P
N
G
K
E
-
Y
A
A
F
G
G
G
K
A
W
V
I
P
Q
A
V
K
N
L
E
A
S
Q
K
F
V
-
D
-
F
L
V
A
T
E
Q
Q
K
V
L
Y
D
K
T
N
E
------
I
P
---
A
N
T
E
A
R
S
Y
-
A
E
G
K
N
D
E
L
T
T
A
V
I
K
Q
F
K
N
T
Q
P
L
P
N
I
S
Q
M
S
A
V
W
D
P
A
K
N
M
L
F
D
A
V
S
G
Q
-
K
D
A
K
T
A
A
N
D
A
V
T
L
I
K
---
E
T
L
---------------------------------------------------------------------------------------------------------------------
54
HHSearch
70.94
53%
4
- C1 -
-
2XD3
1
MALX_STRPN
A:
[36-410]
------------------------------------------
E
L
T
V
Y
V
D
E
-
G
-
Y
K
S
Y
I
E
E
V
A
K
A
Y
E
K
E
A
G
V
K
V
T
L
K
T
G
D
-
A
L
G
G
L
D
K
L
S
L
D
N
Q
N
G
N
V
P
D
V
M
M
A
-
P
Y
D
R
V
G
S
L
G
S
D
G
Q
L
S
E
V
---
K
-
L
S
--
D
GAK
T
D
D
---
T
T
K
S
L
V
--
T
A
A
-
N
G
K
V
Y
G
A
P
A
V
I
E
S
L
V
M
Y
Y
N
K
D
L
V
K
D
A
P
K
T
F
A
D
L
E
N
L
A
K
D
S
K
Y
A
F
A
G
E
D
G
-
K
T
T
A
F
L
A
D
W
T
N
F
Y
Y
T
Y
G
L
L
A
G
N
G
A
Y
-
V
F
--
G
-
Q
--
N
G
---
K
-
D
A
K
D
I
G
L
A
N
D
G
S
I
V
G
I
N
Y
A
K
S
W
Y
E
-
K
-
W
-
P
K
G
M
Q
D
T
E
G
A
G
N
L
--
I
Q
T
Q
F
Q
E
G
K
T
A
A
I
I
D
G
P
W
K
A
Q
A
F
K
D
A
K
V
N
Y
G
V
A
T
I
P
T
L
P
N
G
K
E
-
Y
A
A
F
G
G
G
K
A
W
V
I
P
Q
A
V
K
N
L
E
A
S
Q
K
F
V
-
D
-
F
L
V
A
T
E
Q
Q
K
V
L
Y
D
K
T
N
E
------
I
P
---
A
N
T
E
A
R
S
Y
A
E
G
-
K
N
D
E
L
T
T
A
V
I
K
Q
F
K
N
T
Q
P
L
P
N
I
S
Q
M
S
A
V
W
D
P
A
K
N
M
L
F
D
A
V
S
G
Q
-
K
D
A
K
T
A
A
N
D
A
V
T
L
I
K
---
E
T
L
---------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
69.67
53%
3
- C1 -
-
2XD2
-
MALX_STRPN
A:
[41-419]
-----------------------------------------
K
E
L
T
V
Y
V
D
E
-
G
-
Y
K
S
Y
I
E
E
V
A
K
A
Y
E
K
E
A
G
V
K
V
T
L
K
T
G
D
-
A
L
G
G
L
D
K
L
S
L
D
N
Q
N
G
N
V
P
D
V
M
M
A
-
P
Y
D
R
V
G
S
L
G
S
D
G
Q
L
S
E
V
---
K
-
L
S
--
D
---
G
A
K
---
T
D
D
T
T
K
S
L
V
T
A
A
N
G
K
V
Y
G
A
P
A
V
I
E
S
L
V
M
Y
Y
N
K
D
L
V
K
D
A
P
K
T
F
A
D
L
E
N
L
A
K
D
S
K
Y
A
F
A
G
E
D
G
-
K
T
T
A
F
L
A
D
W
T
N
F
Y
Y
T
Y
G
L
L
A
G
N
G
A
Y
-
V
F
--
G
-
Q
--
N
G
---
K
-
D
A
K
D
I
G
L
A
N
D
G
S
I
V
G
I
N
Y
A
K
S
W
Y
E
-
K
-
W
-
P
K
G
M
Q
D
T
E
G
A
G
N
L
--
I
Q
T
Q
F
Q
E
G
K
T
A
A
I
I
D
G
P
W
K
A
Q
A
F
K
D
A
K
V
N
Y
G
V
A
T
I
P
T
L
P
N
G
K
E
-
Y
A
A
F
G
G
G
K
A
W
V
I
P
Q
A
V
K
N
L
E
A
S
Q
K
F
V
-
D
-
F
L
V
A
T
E
Q
Q
K
V
L
Y
D
K
T
N
E
------
I
P
---
A
N
T
E
A
R
S
Y
-
A
E
G
K
N
D
E
L
T
T
A
V
I
K
Q
F
K
N
T
Q
P
L
P
N
I
S
Q
M
S
A
V
W
D
P
A
K
N
M
L
F
D
A
V
S
G
Q
-
K
D
A
K
T
A
A
N
D
A
V
T
L
I
K
---
E
T
L
K
Q
K
------------------------------------------------------------------------------------------------------------------
53
HHSearch
65.91
53%
8
- C1 -
-
2XD2
-
MALX_STRPN
A:
[41-419]
-----------------------------------------
K
E
L
T
V
Y
V
D
E
-
G
-
Y
K
S
Y
I
E
E
V
A
K
A
Y
E
K
E
A
G
V
K
V
T
L
K
T
G
D
-
A
L
G
G
L
D
K
L
S
L
D
N
Q
N
G
N
V
P
D
V
M
M
A
-
P
Y
D
R
V
G
S
L
G
S
D
G
Q
L
S
E
V
---
K
-
L
S
--
D
GAK
T
D
D
---
T
T
K
S
L
V
--
T
A
A
-
N
G
K
V
Y
G
A
P
A
V
I
E
S
L
V
M
Y
Y
N
K
D
L
V
K
D
A
P
K
T
F
A
D
L
E
N
L
A
K
D
S
K
Y
A
F
A
G
E
D
G
-
K
T
T
A
F
L
A
D
W
T
N
F
Y
Y
T
Y
G
L
L
A
G
N
G
A
Y
-
V
F
--
G
-
Q
--
N
G
---
K
-
D
A
K
D
I
G
L
A
N
D
G
S
I
V
G
I
N
Y
A
K
S
W
Y
E
-
K
-
W
-
P
K
G
M
Q
D
T
E
G
A
G
N
L
--
I
Q
T
Q
F
Q
E
G
K
T
A
A
I
I
D
G
P
W
K
A
Q
A
F
K
D
A
K
V
N
Y
G
V
A
T
I
P
T
L
P
N
G
K
E
-
Y
A
A
F
G
G
G
K
A
W
V
I
P
Q
A
V
K
N
L
E
A
S
Q
K
F
V
-
D
-
F
L
V
A
T
E
Q
Q
K
V
L
Y
D
K
T
N
E
------
I
P
---
A
N
T
E
A
R
S
Y
A
E
G
-
K
N
D
E
L
T
T
A
V
I
K
Q
F
K
N
T
Q
P
L
P
N
I
S
Q
M
S
A
V
W
D
P
A
K
N
M
L
F
D
A
V
S
G
Q
-
K
D
A
K
T
A
A
N
D
A
V
T
L
I
K
---
E
T
L
K
Q
K
------------------------------------------------------------------------------------------------------------------
41
HHSearch
64.80
29%
5
- C1 -
-
2FNC
1
?
A:
[2-374]
------------------------------------------
K
L
T
I
W
C
S
E
-
K
-
Q
V
D
I
L
Q
K
L
G
E
E
F
K
A
K
Y
G
I
P
V
E
V
Q
Y
V
D
-
F
G
S
I
K
S
K
F
L
T
A
A
P
Q
G
Q
G
A
D
I
I
V
G
-
A
H
D
W
V
G
E
L
A
V
N
G
L
I
E
P
I
---
P
-
N
F
--
S
D--
L
K
N
---
F
Y
D
T
A
L
K
A
F
S
Y
-
G
G
K
L
Y
G
V
P
Y
A
M
E
A
V
A
L
I
Y
N
K
D
Y
V
D
S
V
P
K
T
M
D
E
L
I
E
K
A
K
Q
I
D
E
E
Y
G
--
G
E
-
V
-
R
G
F
I
Y
D
V
A
N
F
Y
F
S
A
P
F
I
L
G
Y
G
G
Y
-
V
F
--
K
-
E
--
T
P
QG-
L
-
D
V
T
D
I
G
L
A
N
E
G
A
V
K
G
A
K
L
I
K
R
M
I
D
E
G
V
L
-
T
P
G
D
N
-----
Y
G
T
--
M
D
S
M
F
K
E
G
L
A
A
M
I
I
N
G
L
W
A
I
K
S
Y
K
D
A
G
I
N
Y
G
V
A
P
I
P
E
L
E
P
G
V
P
-
A
K
P
F
V
G
V
Q
G
F
M
I
N
A
K
S
P
N
K
V
I
A
M
E
F
L
-
T
N
F
I
A
R
K
E
T
M
Y
K
I
Y
L
A
D
P
R
------
L
P
---
A
R
K
D
V
L
E
L
--
V
-
K
D
N
P
D
V
V
A
F
T
Q
S
A
S
M
G
T
P
M
P
N
V
P
E
M
A
P
V
W
S
A
M
G
D
A
L
S
I
I
I
N
G
Q
-
A
S
V
E
D
A
L
K
E
A
V
E
K
I
K
---
A
Q
I
E
K
G
------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
61.59
28%
-23
- C1 -
-
2GHA
1
?
A:
[5-374]
-------------------------------------------
L
T
I
W
C
S
E
-
K
-
Q
V
D
I
L
Q
K
L
G
E
E
F
K
A
K
Y
G
V
E
V
E
V
Q
Y
V
N
-
F
Q
D
I
K
S
K
F
L
T
A
A
P
E
G
Q
G
A
D
I
I
V
G
-
A
H
D
W
V
G
E
L
A
V
N
G
L
I
E
P
I
---
P
N
F
S
--
D
---
L
K
N
---
F
Y
E
T
A
L
N
A
F
S
Y
-
G
G
K
L
Y
G
I
P
Y
A
M
E
A
I
A
L
I
Y
N
K
D
Y
V
P
E
P
P
K
T
M
D
E
L
I
E
I
A
K
Q
I
D
---
E
E
F
G
G
-
E
V
R
G
F
I
T
S
A
A
E
F
Y
Y
I
A
P
F
I
F
G
Y
G
G
Y
-
V
F
KQ
T
-
E
--
K
G
---
L
-
D
V
N
D
I
G
L
A
N
E
G
A
I
K
G
V
K
----
L
L
K
-
R
L
V
-
D
E
G
I
L
D
P
S
D
N
Y
Q
I
--
M
D
S
M
F
R
E
G
Q
A
A
M
I
I
N
G
P
W
A
I
K
A
Y
K
D
A
G
I
D
Y
G
V
A
P
I
P
D
L
E
P
G
V
P
-
A
R
P
F
V
G
V
Q
G
F
M
V
N
A
K
S
P
N
K
L
L
A
I
E
F
L
T
S
-
F
I
A
K
K
E
T
M
Y
R
I
Y
L
G
D
P
R
------
L
P
---
S
R
K
D
V
L
E
L
-
V
K
D
N
P
D
V
V
G
F
T
L
--
S
A
A
N
G
I
P
M
P
N
V
P
Q
M
A
A
V
W
A
A
M
N
D
A
L
N
L
V
V
N
G
K
-
A
T
V
E
E
A
L
K
N
A
V
E
R
I
K
---
A
Q
I
Q
--------------------------------------------------------------------------------------------------------------------
44
HHSearch
60.21
28%
12
- C1 -
-
2GHA
1
?
A:
[3-374]
-----------------------------------------
P
K
L
T
I
W
C
S
E
-
K
-
Q
V
D
I
L
Q
K
L
G
E
E
F
K
A
K
Y
G
V
E
V
E
V
Q
Y
V
N
-
F
Q
D
I
K
S
K
F
L
T
A
A
P
E
G
Q
G
A
D
I
I
V
G
-
A
H
D
W
V
G
E
L
A
V
N
G
L
I
E
P
I
---
P
-
N
F
--
S
D--
L
K
N
---
F
Y
E
T
A
L
N
A
F
S
Y
-
G
G
K
L
Y
G
I
P
Y
A
M
E
A
I
A
L
I
Y
N
K
D
Y
V
P
E
P
P
K
T
M
D
E
L
I
E
I
A
K
Q
I
D
E
E
F
---
G
G
E
V
-
R
G
F
I
T
S
A
A
E
F
Y
Y
I
A
P
F
I
F
G
Y
G
G
Y
-
V
F
--
K
-
Q
--
T
E
KG-
L
-
D
V
N
D
I
G
L
A
N
E
G
A
I
K
G
V
K
L
L
K
R
L
V
D
E
G
I
L
-
D
P
S
D
N
-----
Y
Q
I
--
M
D
S
M
F
R
E
G
Q
A
A
M
I
I
N
G
P
W
A
I
K
A
Y
K
D
A
G
I
D
Y
G
V
A
P
I
P
D
L
E
P
G
V
P
-
A
R
P
F
V
G
V
Q
G
F
M
V
N
A
K
S
P
N
K
L
L
A
I
E
F
L
-
T
S
F
I
A
K
K
E
T
M
Y
R
I
Y
L
G
D
P
R
------
L
P
---
S
R
K
D
V
L
E
L
--
V
-
K
D
N
P
D
V
V
G
F
T
L
S
A
A
N
G
I
P
M
P
N
V
P
Q
M
A
A
V
W
A
A
M
N
D
A
L
N
L
V
V
N
G
K
-
A
T
V
E
E
A
L
K
N
A
V
E
R
I
K
---
A
Q
I
Q
--------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
58.03
29%
26
- C1 -
-
2FNC
1
?
A:
[3-373]
-------------------------------------------
L
T
I
W
C
S
E
-
K
-
Q
V
D
I
L
Q
K
L
G
E
E
F
K
A
K
Y
G
I
P
V
E
V
Q
Y
V
D
-
F
G
S
I
K
S
K
F
L
T
A
A
P
Q
G
Q
G
A
D
I
I
V
G
-
A
H
D
W
V
G
E
L
A
V
N
G
L
I
E
P
I
---
P
-
N
F
--
S
---
D
L
K
NF-
Y
D
T
A
L
K
A
-
F
S
Y
-
G
G
K
L
Y
G
V
P
Y
A
M
E
A
V
A
L
I
Y
N
K
D
Y
V
D
S
V
P
K
T
M
D
E
L
I
E
K
A
K
Q
I
D
---
E
E
Y
G
G
-
E
V
R
G
F
I
Y
D
V
A
N
F
Y
F
S
A
P
F
I
L
G
Y
G
G
Y
-
V
F
--
K
-
E
T
P
Q
G
---
L
-
D
V
T
D
I
G
L
A
N
E
G
A
V
K
G
----
A
K
L
I
K
-
R
M
I
-
D
E
G
V
L
T
P
G
D
N
Y
G
T
--
M
D
S
M
F
K
E
G
L
A
A
M
I
I
N
G
L
W
A
I
K
S
Y
K
D
A
G
I
N
Y
G
V
A
P
I
P
E
L
E
P
G
V
P
-
A
K
P
F
V
G
V
Q
G
F
M
I
N
A
K
S
P
N
K
V
I
A
M
E
F
L
T
N
-
F
I
A
R
K
E
T
M
Y
K
I
Y
L
A
D
P
R
------
L
P
---
A
R
K
D
V
L
E
L
-
V
K
D
N
P
D
--
V
V
A
F
T
Q
S
A
S
M
G
T
P
M
P
N
V
P
E
M
A
P
V
W
S
A
M
G
D
A
L
S
I
I
I
N
G
Q
-
A
S
V
E
D
A
L
K
E
A
V
E
K
I
K
---
A
Q
I
E
K
-------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
57.88
28%
-24
- C- -
-
2GHB
-
?
A:
[7-376]
-------------------------------------------
L
T
I
W
C
S
E
-
K
-
Q
V
D
I
L
Q
K
L
G
E
E
F
K
A
K
Y
G
V
E
V
E
V
Q
Y
V
N
-
F
Q
D
I
K
S
K
F
L
T
A
A
P
E
G
Q
G
A
D
I
I
V
G
-
A
H
D
W
V
G
E
L
A
V
N
G
L
I
E
P
I
---
P
N
F
S
--
D
---
L
K
N
---
F
Y
E
T
A
L
N
A
F
S
Y
-
G
G
K
L
Y
G
I
P
Y
A
M
E
A
I
A
L
I
Y
N
K
D
Y
V
P
E
P
P
K
T
M
D
E
L
I
E
I
A
K
Q
I
D
---
E
E
F
G
G
-
E
V
R
G
F
I
T
S
A
A
E
F
Y
Y
I
A
P
F
I
F
G
Y
G
G
Y
-
V
F
KQ
T
-
E
--
K
G
---
L
-
D
V
N
D
I
G
L
A
N
E
G
A
I
K
G
V
K
----
L
L
K
-
R
L
V
-
D
E
G
I
L
D
P
S
D
N
Y
Q
I
--
M
D
S
M
F
R
E
G
Q
A
A
M
I
I
N
G
P
W
A
I
K
A
Y
K
D
A
G
I
D
Y
G
V
A
P
I
P
D
L
E
P
G
V
P
-
A
R
P
F
V
G
V
Q
G
F
M
V
N
A
K
S
P
N
K
L
L
A
I
E
F
L
T
S
-
F
I
A
K
K
E
T
M
Y
R
I
Y
L
G
D
P
R
------
L
P
---
S
R
K
D
V
L
E
L
-
V
K
D
N
P
D
V
V
G
F
T
L
--
S
A
A
N
G
I
P
M
P
N
V
P
Q
M
A
A
V
W
A
A
M
N
D
A
L
N
L
V
V
N
G
K
-
A
T
V
E
E
A
L
K
N
A
V
E
R
I
K
---
A
Q
I
Q
--------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
57.46
30%
17
- C1 -
-
3WOA
1
MALE_ECOLI (first)
A:
[29-412]
---------
E
L
G
L
S
Q
E
S
V
A
D
K
M
G
M
G
Q
S
G
S
G
M
K
I
E
E
G
K
L
----
V
I
W
I
N
G
D
K
-
G
-
Y
-
N
G
L
A
E
V
G
K
K
F
E
K
D
T
G
I
K
V
T
V
E
H
P
D
-
K
L
E
--
E
K
F
P
Q
V
A
A
T
G
D
G
P
D
I
I
F
W
-
A
H
D
R
F
G
G
Y
A
Q
S
G
L
L
A
E
I
T
P
D
K
-
A
F
--
Q
---
D
K
L
---
Y
P
F
T
W
D
A
-
V
R
Y
-
N
G
K
L
I
A
Y
P
I
A
V
E
A
L
S
L
I
Y
N
K
D
L
L
P
N
P
P
K
T
W
E
E
I
P
A
L
D
K
------
E
L
K
A
K
-
G
K
S
A
L
M
F
N
L
Q
E
P
Y
F
T
W
P
L
I
A
A
D
G
G
Y
-
A
F
--
K
Y
E
--
N
G
---
K
Y
D
I
K
D
V
G
V
D
N
A
G
A
K
A
G
L
T
F
L
V
D
L
I
K
-
N
-------
K
H
M
N
A
D
T
D
Y
S
I
A
E
A
A
F
N
K
G
E
T
A
M
T
I
N
G
P
W
A
W
S
N
I
D
T
S
K
V
N
Y
G
V
T
V
L
P
T
F
-
K
G
Q
P
-
S
K
P
F
V
G
V
L
S
A
G
I
N
A
A
S
P
N
K
E
L
A
K
E
F
L
-
E
N
Y
L
L
T
D
E
G
----
L
E
A
V
N
K
D
KPLGA
V
A
---
L
K
S
Y
E
E
E
L
-
A
K
---
D
P
R
I
A
A
T
M
E
N
A
Q
K
G
E
I
M
P
N
I
P
Q
M
S
A
F
W
Y
A
V
R
T
A
V
I
N
A
A
S
G
-----
R
Q
T
V
D
E
A
L
K
------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
56.99
33%
19
- C1 -
-
2ZYK
1
?
A:
[43-393]
----------------------------------------------------------------
F
T
K
K
T
G
I
Q
V
E
V
V
P
V
A
-
L
L
K
Q
Q
E
K
L
T
L
D
G
P
A
G
K
G
A
D
L
V
T
W
-
P
H
D
R
L
G
E
A
V
T
K
G
L
L
Q
P
I
---
Q
-
V
D
--
N
---
S
V
K
N
Q
-
F
D
D
V
A
M
K
A
L
T
Y
-
G
G
K
L
Y
G
L
P
K
A
I
E
S
V
A
L
I
Y
N
K
K
L
M
G
Q
V
P
A
T
Y
D
E
L
F
Q
Y
A
K
A
N
N
K
P
D
E
Q
K
-----
Y
G
V
L
F
E
A
N
N
F
Y
Y
T
Y
F
L
F
A
A
K
G
A
A
-
V
F
--
K
-
E
Q-
D
G
---
T
L
D
P
N
E
I
G
L
N
S
P
E
A
V
Q
G
M
N
E
V
Q
K
W
F
T
-
E
A
---
R
L
P
Q
S
L
K
A
--
D
T
--
V
N
G
L
F
K
S
G
K
V
A
A
V
I
N
G
P
W
A
I
K
D
Y
Q
A
A
G
I
N
V
G
V
A
P
L
P
K
I
D
-
G
K
D
-
A
Q
T
F
I
G
V
K
G
W
Y
L
S
A
Y
S
K
Y
P
K
Y
A
T
E
L
M
-
Q
-
F
L
T
S
K
E
A
L
A
S
R
F
K
E
T
G
E
------
I
P
---
P
Q
K
E
L
L
N
D
-
P
M
I
K
N
N
P
V
V
N
G
F
A
K
Q
A
S
K
G
V
P
M
P
S
I
P
E
M
G
V
V
W
E
P
I
N
N
A
H
T
F
V
A
Q
G
K
-
Q
T
P
E
Q
A
L
N
D
A
V
K
I
M
K
---
E
K
I
Q
--------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
56.09
33%
20
- C1 -
-
2ZYM
1
?
A:
[43-393]
----------------------------------------------------------------
F
T
K
K
T
G
I
Q
V
E
V
V
P
V
A
-
L
L
K
Q
Q
E
K
L
T
L
D
G
P
A
G
K
G
A
D
L
V
T
W
-
P
H
D
R
L
G
E
A
V
T
K
G
L
L
Q
P
I
---
Q
-
V
D
--
N
---
S
V
K
N
Q
-
F
D
D
V
A
M
K
A
L
T
Y
-
G
G
K
L
Y
G
L
P
K
A
I
E
S
V
A
L
I
Y
N
K
K
L
M
G
Q
V
P
A
T
Y
D
E
L
F
Q
Y
A
K
A
N
N
K
P
D
E
Q
K
-----
Y
G
V
L
F
E
A
N
N
F
Y
Y
T
Y
F
L
F
A
A
K
G
A
A
-
V
F
--
K
-
E
Q-
D
G
---
T
L
D
P
N
E
I
G
L
N
S
P
E
A
V
Q
G
M
N
E
V
Q
K
W
F
T
-
E
A
---
R
L
P
Q
S
L
K
A
--
D
T
--
V
N
G
L
F
K
S
G
K
V
A
A
V
I
N
G
P
W
A
I
K
D
Y
Q
A
A
G
I
N
V
G
V
A
P
L
P
K
I
D
-
G
K
D
-
A
Q
T
F
I
G
V
K
G
W
Y
L
S
A
Y
S
K
Y
P
K
Y
A
T
E
L
M
-
Q
-
F
L
T
S
K
E
A
L
A
S
R
F
K
E
T
G
E
------
I
P
---
P
Q
K
E
L
L
N
D
-
P
M
I
K
N
N
P
V
V
N
G
F
A
K
Q
A
S
K
G
V
P
M
P
S
I
P
E
M
G
V
V
W
E
P
I
N
N
A
H
T
F
V
A
Q
G
K
-
Q
T
P
E
Q
A
L
N
D
A
V
K
I
M
K
---
E
K
I
Q
--------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
55.05
33%
16
- C1 -
-
2ZYK
1
?
D:
[43-393]
----------------------------------------------------------------
F
T
K
K
T
G
I
Q
V
E
V
V
P
V
A
-
L
L
K
Q
Q
E
K
L
T
L
D
G
P
A
G
K
G
A
D
L
V
T
W
-
P
H
D
R
L
G
E
A
V
T
K
G
L
L
Q
P
I
---
Q
-
V
D
--
N
---
S
V
K
NQ-
F
D
D
V
A
M
K
A
L
T
Y
-
G
G
K
L
Y
G
L
P
K
A
I
E
S
V
A
L
I
Y
N
K
K
L
M
G
Q
V
P
A
T
Y
D
E
L
F
Q
Y
A
K
A
N
N
K
P
D
E
Q
K
-----
Y
G
V
L
F
E
A
N
N
F
Y
Y
T
Y
F
L
F
A
A
K
G
A
A
-
V
F
--
K
-
E
Q-
D
G
---
T
L
D
P
N
E
I
G
L
N
S
P
E
A
V
Q
G
M
N
E
V
Q
K
W
F
T
-
E
A
---
R
L
P
Q
S
L
K
A
--
D
T
--
V
N
G
L
F
K
S
G
K
V
A
A
V
I
N
G
P
W
A
I
K
D
Y
Q
A
A
G
I
N
V
G
V
A
P
L
P
K
I
D
-
G
K
D
-
A
Q
T
F
I
G
V
K
G
W
Y
L
S
A
Y
S
K
Y
P
K
Y
A
T
E
L
M
-
Q
-
F
L
T
S
K
E
A
L
A
S
R
F
K
E
T
G
E
------
I
P
---
P
Q
K
E
L
L
N
D
-
P
M
I
K
N
N
P
V
V
N
G
F
A
K
Q
A
S
K
G
V
P
M
P
S
I
P
E
M
G
V
V
W
E
P
I
N
N
A
H
T
F
V
A
Q
G
K
-
Q
T
P
E
Q
A
L
N
D
A
V
K
I
M
K
---
E
K
I
Q
--------------------------------------------------------------------------------------------------------------------
48
HHSearch
54.97
26%
24
- C1 -
-
2GH9
1
?
A:
[2-379]
------------------------------------------
K
I
T
V
W
T
H
F
G
G
P
E
L
E
W
L
K
E
Q
A
R
T
F
E
R
T
S
G
T
K
V
E
V
V
E
V
P
-
F
A
E
I
K
Q
K
F
I
L
G
A
P
Q
G
Q
A
A
D
L
V
V
T
V
P
H
D
W
V
G
E
M
A
Q
A
G
V
L
E
P
V
---
G
-
K
Y
VT
Q
A
Y
-
L
A
D
---
L
Q
G
V
A
V
E
A
F
T
F
-
G
G
R
L
M
G
L
P
A
F
A
E
S
V
A
L
I
Y
N
K
K
Y
V
K
E
P
P
R
T
W
E
E
F
L
A
L
A
Q
K
L
T
T
-----
G
A
-
T
-
F
G
F
L
Y
N
I
G
D
P
Y
F
N
F
G
F
F
K
A
F
G
A
E
N
V
F
--
A
-
K
--
D
A
K
G
N
L
-
D
P
T
K
L
L
I
G
G
E
V
G
E
K
A
L
Q
F
I
K
D
L
R
F
K
Y
N
L
V
P
E
G
V
D
-----
Y
G
V
--
A
D
G
A
F
K
D
G
A
L
A
M
I
L
N
G
P
W
A
L
G
D
Y
K
K
A
K
V
D
F
G
I
A
P
F
P
V
P
P
G
A
K
N
P
W
G
P
F
L
G
V
Q
G
V
V
V
N
A
Y
S
K
N
K
T
Q
A
V
N
F
A
-
K
-
T
L
V
T
G
R
N
L
V
A
F
N
Q
A
G
G
R
------
I
P
---
V
S
K
S
A
V
K
Q
--
L
-
E
K
D
P
V
V
A
G
F
S
K
V
F
P
L
G
A
P
M
P
N
I
P
E
M
G
K
V
W
G
P
W
G
N
A
I
S
L
A
I
Q
R
P
D
S
N
V
K
K
I
V
E
D
M
V
A
E
I
K
---
K
A
I
G
--------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
54.38
33%
18
- C1 -
-
2ZYK
1
?
C:
[43-393]
----------------------------------------------------------------
F
T
K
K
T
G
I
Q
V
E
V
V
P
V
A
-
L
L
K
Q
Q
E
K
L
T
L
D
G
P
A
G
K
G
A
D
L
V
T
W
-
P
H
D
R
L
G
E
A
V
T
K
G
L
L
Q
P
I
---
Q
-
V
D
--
N
---
S
V
K
NQ-
F
D
D
V
A
M
K
A
L
T
Y
-
G
G
K
L
Y
G
L
P
K
A
I
E
S
V
A
L
I
Y
N
K
K
L
M
G
Q
V
P
A
T
Y
D
E
L
F
Q
Y
A
K
A
N
N
K
P
D
E
Q
K
-----
Y
G
V
L
F
E
A
N
N
F
Y
Y
T
Y
F
L
F
A
A
K
G
A
A
-
V
F
--
K
-
E
Q-
D
G
---
T
L
D
P
N
E
I
G
L
N
S
P
E
A
V
Q
G
M
N
E
V
Q
K
W
F
T
-
E
A
---
R
L
P
Q
S
L
K
A
--
D
T
--
V
N
G
L
F
K
S
G
K
V
A
A
V
I
N
G
P
W
A
I
K
D
Y
Q
A
A
G
I
N
V
G
V
A
P
L
P
K
I
D
-
G
K
D
-
A
Q
T
F
I
G
V
K
G
W
Y
L
S
A
Y
S
K
Y
P
K
Y
A
T
E
L
M
-
Q
-
F
L
T
S
K
E
A
L
A
S
R
F
K
E
T
G
E
------
I
P
---
P
Q
K
E
L
L
N
D
-
P
M
I
K
N
N
P
V
V
N
G
F
A
K
Q
A
S
K
G
V
P
M
P
S
I
P
E
M
G
V
V
W
E
P
I
N
N
A
H
T
F
V
A
Q
G
K
-
Q
T
P
E
Q
A
L
N
D
A
V
K
I
M
K
---
E
K
I
Q
--------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
54.04
33%
19
- C1 -
-
2ZYN
1
?
A:
[43-393]
----------------------------------------------------------------
F
T
K
K
T
G
I
Q
V
E
V
V
P
V
A
-
L
L
K
Q
Q
E
K
L
T
L
D
G
P
A
G
K
G
A
D
L
V
T
W
-
P
H
D
R
L
G
E
A
V
T
K
G
L
L
Q
P
I
---
Q
-
V
D
--
N
---
S
V
K
N
Q
-
F
D
D
V
A
M
K
A
L
T
Y
-
G
G
K
L
Y
G
L
P
K
A
I
E
S
V
A
L
I
Y
N
K
K
L
M
G
Q
V
P
A
T
Y
D
E
L
F
Q
Y
A
K
A
N
N
K
P
D
E
Q
K
-----
Y
G
V
L
F
E
A
N
N
F
Y
Y
T
Y
F
L
F
A
A
K
G
A
A
-
V
F
--
K
-
E
Q
-
D
G
---
T
L
D
P
N
E
I
G
L
N
S
P
E
A
V
Q
G
M
N
E
V
Q
K
W
F
T
-
E
A
---
R
L
P
Q
S
L
K
A
--
D
T
--
V
N
G
L
F
K
S
G
K
V
A
A
V
I
N
G
P
W
A
I
K
D
Y
Q
A
A
G
I
N
V
G
V
A
P
L
P
K
I
D
-
G
K
D
-
A
Q
T
F
I
G
V
K
G
W
Y
L
S
A
Y
S
K
Y
P
K
Y
A
T
E
L
M
-
Q
-
F
L
T
S
K
E
A
L
A
S
R
F
K
E
T
G
E
------
I
P
---
P
Q
K
E
L
L
N
D
-
P
M
I
K
N
N
P
V
V
N
G
F
A
K
Q
A
S
K
G
V
P
M
P
S
I
P
E
M
G
V
V
W
E
P
I
N
N
A
H
T
F
V
A
Q
G
K
-
Q
T
P
E
Q
A
L
N
D
A
V
K
I
M
K
---
E
K
I
Q
--------------------------------------------------------------------------------------------------------------------
66
Fugue
53.78
30%
-
- C1 -
-
4O2X
-
MALE_ECOLI
A:
[5-483]
------------
E
G
K
L
V
I
W
I
N
G
--------------------------
D
K
-
G
-
Y
N
G
-
L
A
E
V
G
K
K
F
E
K
D
T
G
I
K
V
T
V
E
H
P
D
-
K
L
E
--
E
K
F
P
Q
V
A
A
T
G
D
G
P
D
I
I
F
W
-
A
H
D
R
F
G
G
Y
A
Q
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T
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---
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E
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A
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D
K
E
L
K
A
K
-----
G
-
K
-
S
A
L
M
F
N
L
Q
E
P
Y
F
T
W
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L
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Y
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A
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L
G
---
A
V
A
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Y
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-
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W
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L
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I
I
H
ES--------------------------------
67
Fugue
53.21
30%
30
- C1 -
-
4XA2
3
MALE_ECOLI
A:
[1-490]
M
K
I
E
E
--------
G
K
L
V
I
W
I
N
G
--------------------------
D
K
-
G
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---
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---
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A
---
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A
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D
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------
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-
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L
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A
G
A
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A
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A
A
A
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T
N
A
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---
A
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T
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TLKGTSQINS
K
K
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A
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T
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T
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C
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