@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 : PA1631: (2016-01-31 )
MIRDPETLNLLLDSIRQFVRESLVPHEQEVAETDRIPEAIIARMREMGLFGLSIPEAYGGLGVTMEEEVSIAFELGRTSPAFRSLLGTNNGIGSQGIVIDGTEEQKRRYLPRLASGELLSSFCLTEPDSGSDAASLKTTAVRDGEHYVLNGTKRFITNAPQAGIYTVMARTDPAIRGAGGISAFVVERGTPGLSLGKPDRKMGQKGAHTCDVIFDDCRVPASQLIGGVEGVGFKTAMKVLDKGRLHIAAVCVGVAERMLEDALRYALERKQFGQPIAEFQLIQAMLADSKAEAYAARCMVIDAARQRDEGRDVGTEASCAKLFASEMCGRVADRAVQIFGGAGYIGDYGIERFYRDVRLFRIYEGTTQIQQLLIARNMIRAAQG
Atome Classification :
(30 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)
--------------------------MIRD
P
E
T
L
N
L
----
L
L
D
S
I
R
Q
F
V
R
E
SLVP--
H
E
Q
E
V
-
A
E
TD-R
I
P
-
E
A
I
I
A
R
M
R
EMGLFGLSI
P
E
AYGGLG
V
---
T
M
EE
E
V
S
I
A
F
---E-LGRT
S
P
A
F
R
S
L
LGTNNGIGSQ
G
I
V
IDG
T
E
E
Q
K
R
R
Y
L
P
RLAS
G
E
L
L
S
S
F
CLTEPDSGSDAAS
L
K
T
T
A
-V--R--D--G
E
-
H
Y
V
LNG
T
K
R
F
ITNAPQA
G
I
Y
T
V
M
AR---TDPAI----R--GAG----G
I
S
A
F
V
V
ERGTPGLSLGK
P
D
R
K
MGQKGA
H
T
C
D
V
I
FDDCRV
P
A
S
Q
L
I
GGVEGV
G
F
K
T
A
M
K
V
L
DKGR
L
H
I
A
A
V
C
V
G
V
A
E
R
M
L
E
D
A
L
R
Y
A
L
E
R
K
QFGQ
P
I
A
E
F
Q
L
I
Q
A
M
L
ADSK
A
E
A
Y
A
A
R
C
M
V
------
I
DAARQRDEG--------------RDVG-T
E
A
S
C
A
K
L
F
A
S
E
M
C
G
R
V
A
D
R
A
V
Q
I
FGGAG
Y
I
G
D
Y
G
I
E
R
F
Y
R
D
V
R
L
F
R
I
YE
G
T
T
Q
I
Q
Q
L
L
I
A
R
N
M
I
R
AAQG---------------------------------------------------------------------------------------------------------------------------------------------------------
122
HHSearch
89.08
39%
-86
- C1 -
2UXW
3
ACADV_HUMAN
A:
[46-429]
-----------------------------
L
N
E
E
Q
T
Q
F
L
K
E
L
V
E
P
V
S
R
F
F
E
E
V
N
D
P
--
A
--
K
N
-
D
A
L
E
-
M
V
E
-
E
T
T
W
Q
G
L
K
E
L
G
A
F
G
L
Q
V
P
S
E
L
G
G
V
G
L
---
C
N
T
Q
Y
A
R
L
V
E
---
I
-
V
G
M
H
D
L
G
V
G
I
T
L
G
A
H
Q
S
I
G
F
K
G
I
L
L
F
G
T
K
A
Q
K
E
K
Y
L
P
K
L
A
S
G
E
T
V
A
A
F
C
L
T
E
P
S
S
G
S
D
A
A
S
I
R
T
S
A
-
V
--
P
--
S
PC
G
K
-
Y
Y
T
L
N
G
S
K
L
W
I
S
N
G
G
L
A
D
I
F
T
V
F
A
K
---
T
P
V
T
D
PATG
A
--
V
K
E
----
K
I
T
A
F
V
V
E
R
G
F
G
G
I
T
H
G
P
P
E
K
K
M
G
I
K
A
S
N
T
A
E
V
F
F
D
G
V
R
V
P
S
E
N
V
L
G
E
V
-
G
S
G
F
K
V
A
M
H
I
L
N
N
G
R
F
G
M
A
A
A
L
A
G
T
M
R
G
I
I
A
K
A
V
D
H
A
T
N
R
T
Q
F
G
E
K
I
H
N
F
G
L
I
Q
E
K
L
A
R
M
V
M
L
Q
Y
V
T
E
S
M
A
------
Y
M
V
S
A
N
M
D
Q
G
--------------
A
T
D
F
Q
I
E
A
A
I
S
K
I
F
G
S
E
A
A
W
K
V
T
D
E
C
I
Q
I
M
G
G
M
G
F
M
K
E
P
G
V
E
R
V
L
R
D
L
R
I
F
R
I
F
E
G
T
N
D
I
L
R
L
F
V
A
L
Q
G
C
M
D
K
G
K
---------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
88.25
36%
-89
- C1 -
2JIF
11
ACDSB_HUMAN
D:
[35-400]
-----------------------------------
M
----
I
K
S
S
V
K
K
F
A
Q
E
Q
I
A
P
--
L
V
S
T
M
-
D
E
N
S
-
K
M
E
-
K
S
V
I
Q
G
L
F
Q
Q
G
L
M
G
I
E
V
D
P
E
Y
G
G
T
G
A
---
S
F
L
S
T
V
L
V
I
E
---
E
-
L
A
K
V
D
A
S
V
A
V
F
C
E
I
Q
N
T
L
I
N
T
L
I
R
K
H
G
T
E
E
Q
K
A
T
Y
L
P
Q
L
T
T
-
E
K
V
G
S
F
C
L
S
E
A
G
A
G
S
D
S
F
A
L
K
T
R
A
-
D
--
K
--
E
--
G
D
-
Y
Y
V
L
N
G
S
K
M
W
I
S
S
A
E
H
A
G
L
F
L
V
M
A
N
---
V
D
P
T
I
-------
G
Y
K
----
G
I
T
S
F
L
V
D
R
D
T
P
G
L
H
I
G
K
P
E
N
K
L
G
L
R
A
S
S
T
C
P
L
T
F
E
N
V
K
V
P
E
A
N
I
L
G
Q
I
-
G
H
G
Y
K
Y
A
I
G
S
L
N
E
G
R
I
G
I
A
A
Q
M
L
G
L
A
Q
G
C
F
D
Y
T
I
P
Y
I
K
E
R
I
Q
F
G
K
R
L
F
D
F
Q
G
L
Q
H
Q
V
A
H
V
A
T
Q
L
E
A
A
R
L
L
T
------
Y
N
A
A
R
L
L
E
A
G
--------------
K
P
F
I
-
K
E
A
S
M
A
K
Y
Y
A
S
E
I
A
G
Q
T
T
S
K
C
I
E
W
M
G
G
V
G
Y
T
K
D
Y
P
V
E
K
Y
F
R
D
A
K
I
G
T
I
Y
E
G
A
S
N
I
Q
L
N
T
I
A
K
H
I
D
A
E
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------
115
HHSearch
88.07
40%
-84
- C1 -
3PFD
26
?
A:
[22-393]
--------------------------------
E
H
I
A
----
L
R
E
A
I
R
A
L
A
E
K
E
I
A
P
--
Y
A
A
E
V
-
D
E
K
A
-
R
F
P
-
E
E
A
L
A
A
L
N
S
S
G
F
S
A
I
H
V
P
E
E
Y
G
G
Q
G
A
---
D
S
V
A
T
C
I
V
I
E
---
E
-
V
A
R
V
D
C
S
A
S
L
I
P
A
V
N
K
-
L
G
T
M
G
L
I
L
R
G
S
E
E
L
K
K
Q
V
L
P
A
V
A
S
G
E
A
M
A
S
Y
A
L
S
E
R
E
A
G
S
D
A
A
S
M
R
T
R
A
-
V
--
A
--
D
--
G
D
-
D
W
I
L
N
G
S
K
C
W
I
T
N
G
G
K
S
T
W
Y
T
V
M
A
V
---
T
D
P
D
-----
K
--
G
A
N
----
G
I
S
A
F
M
V
H
K
D
D
E
G
F
T
V
G
P
K
E
R
K
L
G
I
K
G
S
P
T
T
E
L
Y
F
E
N
C
R
I
P
G
D
R
I
I
G
E
P
-
G
T
G
F
K
T
A
L
A
T
L
D
H
T
R
P
T
I
G
A
Q
A
V
G
I
A
Q
G
A
L
D
A
A
I
A
Y
T
K
E
R
K
Q
F
G
R
P
V
S
D
N
Q
G
V
Q
F
M
L
A
D
M
A
M
K
I
E
A
A
R
L
M
V
------
Y
S
A
A
A
R
A
E
R
G
------------------G
F
I
S
A
A
S
K
C
F
A
S
D
V
A
M
E
V
T
T
D
A
V
Q
L
F
G
G
Y
G
Y
T
Q
D
F
P
V
E
R
M
M
R
D
A
K
I
T
Q
I
Y
E
G
T
N
Q
I
Q
R
V
V
M
S
R
A
L
L
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
87.84
36%
-89
- C1 -
2JIF
10
ACDSB_HUMAN
B:
[35-400]
-----------------------------------
M
----
I
K
S
S
V
K
K
F
A
Q
E
Q
I
A
P
--
L
V
S
T
M
-
D
E
N
S
-
K
M
E
-
K
S
V
I
Q
G
L
F
Q
Q
G
L
M
G
I
E
V
D
P
E
Y
G
G
T
G
A
---
S
F
L
S
T
V
L
V
I
E
---
E
-
L
A
K
V
D
A
S
V
A
V
F
C
E
I
Q
N
T
L
I
N
T
L
I
R
K
H
G
T
E
E
Q
K
A
T
Y
L
P
Q
L
T
T
-
E
K
V
G
S
F
C
L
S
E
A
G
A
G
S
D
S
F
A
L
K
T
R
A
-
D
--
K
--
E
--
G
D
-
Y
Y
V
L
N
G
S
K
M
W
I
S
S
A
E
H
A
G
L
F
L
V
M
A
N
---
V
D
P
T
I
-------
G
Y
K
----
G
I
T
S
F
L
V
D
R
D
T
P
G
L
H
I
G
K
P
E
N
K
L
G
L
R
A
S
S
T
C
P
L
T
F
E
N
V
K
V
P
E
A
N
I
L
G
Q
I
-
G
H
G
Y
K
Y
A
I
G
S
L
N
E
G
R
I
G
I
A
A
Q
M
L
G
L
A
Q
G
C
F
D
Y
T
I
P
Y
I
K
E
R
I
Q
F
G
K
R
L
F
D
F
Q
G
L
Q
H
Q
V
A
H
V
A
T
Q
L
E
A
A
R
L
L
T
------
Y
N
A
A
R
L
L
E
A
G
--------------
K
P
F
I
-
K
E
A
S
M
A
K
Y
Y
A
S
E
I
A
G
Q
T
T
S
K
C
I
E
W
M
G
G
V
G
Y
T
K
D
Y
P
V
E
K
Y
F
R
D
A
K
I
G
T
I
Y
E
G
A
S
N
I
Q
L
N
T
I
A
K
H
I
D
A
E
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
87.83
40%
-87
- C1 -
2UXW
3
ACADV_HUMAN
A:
[54-425]
---------------------------------
L
K
E
----
L
V
E
P
V
S
R
F
F
E
E
V
N
D
P
--
A
K
N
D
A
-
L
E
M
---
V
E
-
E
T
T
W
Q
G
L
K
E
L
G
A
F
G
L
Q
V
P
S
E
L
G
G
V
G
L
---
C
N
T
Q
Y
A
R
L
V
E
---
I
-
V
G
M
H
D
L
G
V
G
I
T
L
G
A
H
Q
S
I
G
F
K
G
I
L
L
F
G
T
K
A
Q
K
E
K
Y
L
P
K
L
A
S
G
E
T
V
A
A
F
C
L
T
E
P
S
S
G
S
D
A
A
S
I
R
T
S
A
-
V
--
P
--
S
PC
G
K
-
Y
Y
T
L
N
G
S
K
L
W
I
S
N
G
G
L
A
D
I
F
T
V
F
A
K
T
P
V
T
D
P
A
T
----
G
--
A
V
K
E
---
K
I
T
A
F
V
V
E
R
G
F
G
G
I
T
H
G
P
P
E
K
K
M
G
I
K
A
S
N
T
A
E
V
F
F
D
G
V
R
V
P
S
E
N
V
L
G
E
V
-
G
S
G
F
K
V
A
M
H
I
L
N
N
G
R
F
G
M
A
A
A
L
A
G
T
M
R
G
I
I
A
K
A
V
D
H
A
T
N
R
T
Q
F
G
E
K
I
H
N
F
G
L
I
Q
E
K
L
A
R
M
V
M
L
Q
Y
V
T
E
S
M
A
------
Y
M
V
S
A
N
M
D
Q
G
A-------------
T
D
F
Q
-
I
E
A
A
I
S
K
I
F
G
S
E
A
A
W
K
V
T
D
E
C
I
Q
I
M
G
G
M
G
F
M
K
E
P
G
V
E
R
V
L
R
D
L
R
I
F
R
I
F
E
G
T
N
D
I
L
R
L
F
V
A
L
Q
G
C
M
D
K
G
K
---------------------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
87.73
36%
-90
- C1 -
2JIF
9
ACDSB_HUMAN
C:
[35-400]
-----------------------------------
M
----
I
K
S
S
V
K
K
F
A
Q
E
Q
I
A
P
--
L
V
S
T
M
-
D
E
N
S
-
K
M
E
-
K
S
V
I
Q
G
L
F
Q
Q
G
L
M
G
I
E
V
D
P
E
Y
G
G
T
G
A
---
S
F
L
S
T
V
L
V
I
E
---
E
-
L
A
K
V
D
A
S
V
A
V
F
C
E
I
Q
N
T
L
I
N
T
L
I
R
K
H
G
T
E
E
Q
K
A
T
Y
L
P
Q
L
T
T
-
E
K
V
G
S
F
C
L
S
E
A
G
A
G
S
D
S
F
A
L
K
T
R
A
-
D
--
K
--
E
--
G
D
-
Y
Y
V
L
N
G
S
K
M
W
I
S
S
A
E
H
A
G
L
F
L
V
M
A
N
---
V
D
P
T
I
-------
G
Y
K
----
G
I
T
S
F
L
V
D
R
D
T
P
G
L
H
I
G
K
P
E
N
K
L
G
L
R
A
S
S
T
C
P
L
T
F
E
N
V
K
V
P
E
A
N
I
L
G
Q
I
-
G
H
G
Y
K
Y
A
I
G
S
L
N
E
G
R
I
G
I
A
A
Q
M
L
G
L
A
Q
G
C
F
D
Y
T
I
P
Y
I
K
E
R
I
Q
F
G
K
R
L
F
D
F
Q
G
L
Q
H
Q
V
A
H
V
A
T
Q
L
E
A
A
R
L
L
T
------
Y
N
A
A
R
L
L
E
A
G
--------------
K
P
F
I
-
K
E
A
S
M
A
K
Y
Y
A
S
E
I
A
G
Q
T
T
S
K
C
I
E
W
M
G
G
V
G
Y
T
K
D
Y
P
V
E
K
Y
F
R
D
A
K
I
G
T
I
Y
E
G
A
S
N
I
Q
L
N
T
I
A
K
H
I
D
A
E
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
86.96
36%
-89
- C1 -
2JIF
9
ACDSB_HUMAN
A:
[35-400]
-----------------------------------
M
----
I
K
S
S
V
K
K
F
A
Q
E
Q
I
A
P
--
L
V
S
T
M
-
D
E
N
S
-
K
M
E
-
K
S
V
I
Q
G
L
F
Q
Q
G
L
M
G
I
E
V
D
P
E
Y
G
G
T
G
A
---
S
F
L
S
T
V
L
V
I
E
---
E
-
L
A
K
V
D
A
S
V
A
V
F
C
E
I
Q
N
T
L
I
N
T
L
I
R
K
H
G
T
E
E
Q
K
A
T
Y
L
P
Q
L
T
T
-
E
K
V
G
S
F
C
L
S
E
A
G
A
G
S
D
S
F
A
L
K
T
R
A
-
D
--
K
--
E
--
G
D
-
Y
Y
V
L
N
G
S
K
M
W
I
S
S
A
E
H
A
G
L
F
L
V
M
A
N
---
V
D
P
T
I
-------
G
Y
K
----
G
I
T
S
F
L
V
D
R
D
T
P
G
L
H
I
G
K
P
E
N
K
L
G
L
R
A
S
S
T
C
P
L
T
F
E
N
V
K
V
P
E
A
N
I
L
G
Q
I
-
G
H
G
Y
K
Y
A
I
G
S
L
N
E
G
R
I
G
I
A
A
Q
M
L
G
L
A
Q
G
C
F
D
Y
T
I
P
Y
I
K
E
R
I
Q
F
G
K
R
L
F
D
F
Q
G
L
Q
H
Q
V
A
H
V
A
T
Q
L
E
A
A
R
L
L
T
------
Y
N
A
A
R
L
L
E
A
G
--------------
K
P
F
I
-
K
E
A
S
M
A
K
Y
Y
A
S
E
I
A
G
Q
T
T
S
K
C
I
E
W
M
G
G
V
G
Y
T
K
D
Y
P
V
E
K
Y
F
R
D
A
K
I
G
T
I
Y
E
G
A
S
N
I
Q
L
N
T
I
A
K
H
I
D
A
E
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------
124
Fugue
86.86
38%
-81
- C1 -
2UXW
4
ACADV_HUMAN
A:
[21-607]
QSMS
F
A
V
G
M
F
K
GQLTTDQVFPYPSVL
N
E
E
Q
T
Q
F
L
K
E
----
L
V
E
P
V
S
R
F
F
E
E
V
N
D
P
--
A
K
N
D
A
-
L
E
---
M
V
E
-
E
T
T
W
Q
G
L
K
E
L
G
A
F
G
L
Q
V
P
S
E
L
G
G
V
G
L
---
C
N
T
Q
Y
A
R
L
V
E
---
I
-
V
G
M
H
D
L
G
V
G
I
T
L
G
A
H
Q
S
I
G
F
K
G
I
L
L
F
G
T
K
A
Q
K
E
K
Y
L
P
K
L
A
S
G
E
T
V
A
A
F
C
L
T
E
P
S
S
G
S
D
A
A
S
I
R
T
S
A
-
V
--
P
S
P
C
--
G
K
-
Y
Y
T
L
N
G
S
K
L
W
I
S
N
G
G
L
A
D
I
F
T
V
F
A
K
---
T
P
V
T
D
----
P
--
A
T
G
A
V
K
E
K
I
T
A
F
V
V
E
R
G
F
G
G
I
T
H
G
P
P
E
K
K
M
G
I
K
A
S
N
T
A
E
V
F
F
D
G
V
R
V
P
S
E
N
V
L
G
E
-
V
G
S
G
F
K
V
A
M
H
I
L
N
N
G
R
F
G
M
A
A
A
L
A
G
T
M
R
G
I
I
A
K
A
V
D
H
A
T
N
R
T
Q
F
G
E
K
I
H
N
F
G
L
I
Q
E
K
L
A
R
M
V
M
L
Q
Y
V
T
E
S
M
A
------
Y
M
V
S
A
N
M
D
Q
G
A-------------
T
D
F
Q
-
I
E
A
A
I
S
K
I
F
G
S
E
A
A
W
K
V
T
D
E
C
I
Q
I
M
G
G
M
G
F
M
K
E
P
G
V
E
R
V
L
R
D
L
R
I
F
R
I
F
E
G
T
N
D
I
L
R
L
F
V
A
L
Q
G
C
M
D
K
G
K
E
L
S
G
L
GS
A
L
K
N
PFGSGLSLSGLVHPEL
S
R
S
G
E
L
A
V
R
A
L
E
Q
F
A
T
V
V
E
A
K
L
I
K
HKKGIVNE
Q
F
L
L
Q
R
L
A
D
G
A
I
D
L
Y
A
M
V
V
V
L
S
R
A
S
R
S
L
S
E
GHPT
A
Q
H
E
K
M
L
C
D
T
W
C
I
E
A
A
A
R
I
R
E
G
M
A
A
L
Q
SDPW
Q
Q
E
L
Y
R
N
F
K
S
I
S
K
A
L
V
E
R
GGVVTSNPLGF
108
HHSearch
86.80
35%
-87
- C1 -
2JIF
9
ACDSB_HUMAN
A:
[27-403]
---------------------------
Q
T
F
T
D
E
E
M
M
----
I
K
S
S
V
K
K
F
A
Q
E
Q
I
A
P
--
L
V
S
T
M
-
D
E
N
S
-
K
M
E
-
K
S
V
I
Q
G
L
F
Q
Q
G
L
M
G
I
E
V
D
P
E
Y
G
G
T
G
A
---
S
F
L
S
T
V
L
V
I
E
---
E
-
L
A
K
V
D
A
S
V
A
V
F
C
E
I
Q
N
T
L
I
N
T
L
I
R
K
H
G
T
E
E
Q
K
A
T
Y
L
P
Q
L
T
T
E
-
K
V
G
S
F
C
L
S
E
A
G
A
G
S
D
S
F
A
L
K
T
R
A
-
D
--
K
--
E
--
G
D
-
Y
Y
V
L
N
G
S
K
M
W
I
S
S
A
E
H
A
G
L
F
L
V
M
A
N
---
V
D
P
T
-----
I
--
G
Y
K
----
G
I
T
S
F
L
V
D
R
D
T
P
G
L
H
I
G
K
P
E
N
K
L
G
L
R
A
S
S
T
C
P
L
T
F
E
N
V
K
V
P
E
A
N
I
L
G
Q
I
-
G
H
G
Y
K
Y
A
I
G
S
L
N
E
G
R
I
G
I
A
A
Q
M
L
G
L
A
Q
G
C
F
D
Y
T
I
P
Y
I
K
E
R
I
Q
F
G
K
R
L
F
D
F
Q
G
L
Q
H
Q
V
A
H
V
A
T
Q
L
E
A
A
R
L
L
T
------
Y
N
A
A
R
L
L
E
A
G
--------------
K
-
P
F
I
K
E
A
S
M
A
K
Y
Y
A
S
E
I
A
G
Q
T
T
S
K
C
I
E
W
M
G
G
V
G
Y
T
K
D
Y
P
V
E
K
Y
F
R
D
A
K
I
G
T
I
Y
E
G
A
S
N
I
Q
L
N
T
I
A
K
H
I
D
A
E
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
86.79
40%
-78
- C1 -
4L1F
7
?
A:
[7-379]
-------------------------------
E
D
Q
Q
M
----
I
K
D
M
A
A
E
F
A
E
K
F
L
A
P
--
T
V
E
E
R
-
D
K
A
H
-
I
W
D
-
R
K
L
I
D
K
M
G
E
A
G
F
C
G
I
C
F
P
E
E
Y
G
G
M
G
L
---
D
V
L
S
Y
I
L
A
V
E
---
E
-
L
S
K
V
D
D
G
T
G
I
T
L
S
A
N
V
S
L
C
A
T
P
I
Y
M
F
G
T
E
E
Q
K
Q
K
Y
L
A
P
I
A
E
G
T
H
V
G
A
F
G
L
T
E
P
S
A
G
T
D
A
S
A
Q
Q
T
T
A
-
V
--
L
--
K
--
G
D
-
K
Y
I
L
N
G
S
K
I
F
I
T
N
G
K
E
A
D
T
Y
V
V
F
A
M
---
T
D
K
S
-----
Q
--
G
V
H
----
G
I
S
A
F
I
L
E
K
G
M
P
G
F
R
F
G
K
I
E
D
K
M
G
G
H
T
S
I
T
A
E
L
I
F
E
D
C
E
V
P
K
E
N
L
L
G
K
-
E
G
E
G
F
K
I
A
M
E
T
L
D
G
G
R
I
G
V
A
A
Q
A
L
G
I
A
E
G
A
L
A
A
A
V
K
Y
S
K
E
R
E
Q
F
G
R
S
I
S
K
F
Q
A
L
Q
F
M
M
A
D
M
A
T
K
I
E
A
A
R
Y
L
V
------
Y
H
A
A
M
L
K
N
E
G
--------------
K
P
Y
S
-
E
A
A
A
M
A
K
C
F
A
S
D
V
A
M
E
V
T
T
D
A
V
Q
I
F
G
G
Y
G
Y
T
V
D
Y
P
A
E
R
Y
M
R
N
A
K
I
T
Q
I
Y
E
G
T
N
Q
V
M
R
I
V
T
S
R
A
L
L
R
D
------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
86.76
40%
-78
- C1 -
4L1F
5
?
B:
[7-379]
-------------------------------
E
D
Q
Q
M
----
I
K
D
M
A
A
E
F
A
E
K
F
L
A
P
--
T
V
E
E
R
-
D
K
A
H
-
I
W
D
-
R
K
L
I
D
K
M
G
E
A
G
F
C
G
I
C
F
P
E
E
Y
G
G
M
G
L
---
D
V
L
S
Y
I
L
A
V
E
---
E
-
L
S
K
V
D
D
G
T
G
I
T
L
S
A
N
V
S
L
C
A
T
P
I
Y
M
F
G
T
E
E
Q
K
Q
K
Y
L
A
P
I
A
E
G
T
H
V
G
A
F
G
L
T
E
P
S
A
G
T
D
A
S
A
Q
Q
T
T
A
-
V
--
L
--
K
--
G
D
-
K
Y
I
L
N
G
S
K
I
F
I
T
N
G
K
E
A
D
T
Y
V
V
F
A
M
---
T
D
K
S
-----
Q
--
G
V
H
----
G
I
S
A
F
I
L
E
K
G
M
P
G
F
R
F
G
K
I
E
D
K
M
G
G
H
T
S
I
T
A
E
L
I
F
E
D
C
E
V
P
K
E
N
L
L
G
K
-
E
G
E
G
F
K
I
A
M
E
T
L
D
G
G
R
I
G
V
A
A
Q
A
L
G
I
A
E
G
A
L
A
A
A
V
K
Y
S
K
E
R
E
Q
F
G
R
S
I
S
K
F
Q
A
L
Q
F
M
M
A
D
M
A
T
K
I
E
A
A
R
Y
L
V
------
Y
H
A
A
M
L
K
N
E
G
--------------
K
P
Y
S
-
E
A
A
A
M
A
K
C
F
A
S
D
V
A
M
E
V
T
T
D
A
V
Q
I
F
G
G
Y
G
Y
T
V
D
Y
P
A
E
R
Y
M
R
N
A
K
I
T
Q
I
Y
E
G
T
N
Q
V
M
R
I
V
T
S
R
A
L
L
R
D
------------------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
86.51
41%
-81
- C1 -
2D29
2
?
B:
[14-386]
----------------------------------------
V
L
G
P
F
R
E
F
L
K
A
E
V
A
P
--
G
A
A
E
R
-
D
R
T
G
-
A
F
P
-
W
D
L
V
R
K
L
A
E
F
G
V
F
G
A
L
V
P
E
A
Y
G
G
A
G
L
---
S
T
R
L
F
A
R
M
V
E
---
A
-
I
A
Y
Y
D
G
A
L
A
L
T
V
A
S
H
N
S
L
A
T
G
H
I
L
L
A
G
S
E
A
Q
K
E
A
F
L
P
K
L
A
S
G
E
A
L
G
A
W
G
L
T
E
P
G
S
G
S
D
A
A
A
L
K
T
K
A
-
E
--
K
--
V
--
E
G
-
G
W
R
L
N
G
T
K
Q
F
I
T
Q
G
S
V
A
G
V
Y
V
V
M
A
R
---
T
D
P
P
P
SPE-
R
--
K
H
Q
----
G
I
S
A
F
A
F
F
R
P
E
R
G
L
K
V
G
R
K
E
E
K
L
G
L
T
A
S
D
T
A
Q
L
I
L
E
D
L
F
V
P
E
E
A
L
L
G
-
E
R
G
K
G
F
Y
D
V
L
R
V
L
D
G
G
R
I
G
I
A
A
M
A
V
G
L
G
Q
A
A
L
D
Y
A
L
A
Y
A
K
G
R
E
A
F
G
R
P
I
A
E
F
E
G
V
S
F
K
L
A
E
A
A
T
E
L
E
A
A
R
L
L
Y
------
L
K
A
A
E
L
K
D
A
G
--------------
R
P
F
T
-
L
E
A
A
Q
A
K
L
F
A
S
E
A
A
V
K
A
C
D
E
A
I
Q
I
L
G
G
Y
G
Y
V
K
D
Y
P
V
E
R
Y
W
R
D
A
R
L
T
R
I
G
E
G
T
S
E
I
L
K
L
V
I
A
R
R
L
L
E
A
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
86.14
40%
-84
- C1 -
3B96
2
ACADV_HUMAN
A:
[34-405]
---------------------------------
L
K
E
----
L
V
E
P
V
S
R
F
F
E
E
V
N
D
P
--
A
K
N
D
A
-
L
E
M
---
V
E
-
E
T
T
W
Q
G
L
K
E
L
G
A
F
G
L
Q
V
P
S
E
L
G
G
V
G
L
---
C
N
T
Q
Y
A
R
L
V
E
---
I
-
V
G
M
H
D
L
G
V
G
I
T
L
G
A
H
Q
S
I
G
F
K
G
I
L
L
F
G
T
K
A
Q
K
E
K
Y
L
P
K
L
A
S
G
E
T
V
A
A
F
C
L
T
E
P
S
S
G
S
D
A
A
S
I
R
T
S
A
-
V
--
P
--
S
PC
G
K
-
Y
Y
T
L
N
G
S
K
L
W
I
S
N
G
G
L
A
D
I
F
T
V
F
A
K
T
P
V
T
D
P
A
T
----
G
--
A
V
K
E
---
K
I
T
A
F
V
V
E
R
G
F
G
G
I
T
H
G
P
P
E
K
K
M
G
I
K
A
S
N
T
A
E
V
F
F
D
G
V
R
V
P
S
E
N
V
L
G
E
V
-
G
S
G
F
K
V
A
M
H
I
L
N
N
G
R
F
G
M
A
A
A
L
A
G
T
M
R
G
I
I
A
K
A
V
D
H
A
T
N
R
T
Q
F
G
E
K
I
H
N
F
G
L
I
Q
E
K
L
A
R
M
V
M
L
Q
Y
V
T
E
S
M
A
------
Y
M
V
S
A
N
M
D
Q
G
A-------------
T
D
F
Q
-
I
E
A
A
I
S
K
I
F
G
S
E
A
A
W
K
V
T
D
E
C
I
Q
I
M
G
G
M
G
F
M
K
E
P
G
V
E
R
V
L
R
D
L
R
I
F
R
I
F
E
G
T
N
D
I
L
R
L
F
V
A
L
Q
G
C
M
D
K
G
K
---------------------------------------------------------------------------------------------------------------------------------------------------------
125
Fugue
86.13
41%
-85
- C1 -
2Z1Q
2
?
B:
[5-577]
------KKLWQKGGGWLLEVPE
R
V
Y
T
P
E
D
F
D
E
S
V
K
E
----
I
A
R
T
T
R
T
F
V
E
R
E
V
L
P
--
L
L
E
R
M
E
H
G
E
L
-
E
L
N
-
V
P
L
M
R
K
A
G
E
L
G
L
L
A
I
D
V
P
E
E
Y
G
G
L
D
L
---
P
K
V
I
S
T
V
V
A
E
---
E
-
L
S
G
S
G
-
G
F
S
V
T
Y
G
A
H
T
S
I
G
T
L
P
L
V
Y
F
G
T
E
E
Q
K
R
K
Y
L
P
K
L
A
S
G
E
W
I
A
A
Y
C
L
T
E
P
G
S
G
S
D
A
L
A
A
K
T
R
A
-
T
L
S
E
--
D
--
G
K
-
H
Y
I
L
N
G
V
K
Q
W
I
S
N
A
G
F
A
H
L
F
T
V
F
A
K
---
V
D
G
-----------
E
----
H
F
T
A
F
L
V
E
R
D
T
P
G
L
S
F
G
P
E
E
K
K
M
G
I
K
A
S
S
T
R
Q
V
I
L
E
D
V
K
V
P
V
E
N
V
L
G
E
-
I
G
K
G
H
K
I
A
F
N
V
L
N
V
G
R
Y
K
L
G
A
G
A
V
G
G
A
K
R
A
L
E
L
S
A
Q
Y
A
T
Q
R
V
Q
F
G
R
P
I
G
R
F
G
L
I
Q
Q
K
L
G
E
M
A
S
R
I
Y
A
A
E
S
A
V
------
Y
R
T
V
G
L
I
D
E
A
L
LGKKG
P
E
A
V
M
A
G
I
E
E
Y
A
-
V
E
A
S
I
I
K
V
L
G
S
E
V
L
D
Y
V
V
D
E
G
V
Q
I
H
G
G
Y
G
Y
S
Q
E
Y
P
I
E
R
A
Y
R
D
A
R
I
N
R
I
F
E
G
T
N
E
I
N
R
L
L
I
P
G
M
L
L
R
R
A
E
P
ED
L
E
L
H
Q
V
Q
N
L
K
K
L
A
L
M
V
A
G
L
A
V
Q
K
YGQGVEEE
Q
E
V
L
G
A
V
A
D
I
L
I
D
A
Y
A
A
E
S
A
L
L
R
A
R
R
L
GGL
A
P
V
L
A
R
I
Y
L
A
Q
A
L
D
R
A
Q
A
G
A
L
S
V
LPRLVEG
D
E
A
R
V
V
Y
S
A
A
R
R
L
T
KREPGD
L
V
A
L
R
R
Q
A
A
E
A
V
L
E
A
GGYPIPR------------------
58
PsiBlast_CBE
86.13
38%
-82
- C1 -
1JQI
4
ACADS_RAT
B:
[11-385]
------------------------------
P
E
T
H
Q
M
----
L
R
Q
T
C
R
D
F
A
E
K
E
L
V
P
--
I
A
A
Q
L
-
D
K
E
H
-
L
F
P
-
T
S
Q
V
K
K
M
G
E
L
G
L
L
A
M
D
V
P
E
E
L
S
G
A
G
L
---
D
Y
L
A
-
Y
S
I
A
L
---
E
E
I
S
R
G
C
A
S
T
G
V
I
M
S
V
N
N
S
L
Y
L
G
P
I
L
K
F
G
S
S
Q
Q
K
Q
Q
W
I
T
P
F
T
N
G
D
K
I
G
C
F
A
L
S
E
P
G
N
G
S
D
A
G
A
A
S
T
T
A
-
R
--
E
--
E
--
G
D
-
S
W
V
L
N
G
T
K
A
W
I
T
N
S
W
E
A
S
A
T
V
V
F
A
S
---
T
D
R
S
-----
R
--
Q
N
K
----
G
I
S
A
F
L
V
P
M
P
T
P
G
L
T
L
G
K
K
E
D
K
L
G
I
R
A
S
S
T
A
N
L
I
F
E
D
C
R
I
P
K
E
N
L
L
G
E
-
P
G
M
G
F
K
I
A
M
Q
T
L
D
M
G
R
I
G
I
A
S
Q
A
L
G
I
A
Q
A
S
L
D
C
A
V
K
Y
A
E
N
R
H
A
F
G
A
P
L
T
K
L
Q
N
I
Q
F
K
L
A
D
M
A
L
A
L
E
S
A
R
L
L
T
------
W
R
A
A
M
L
K
D
N
K
--------------
K
P
F
T
-
K
E
S
A
M
A
K
L
A
A
S
E
A
A
T
A
I
S
H
Q
A
I
Q
I
L
G
G
M
G
Y
V
T
E
M
P
A
E
R
Y
Y
R
D
A
R
I
T
E
I
Y
E
G
T
S
E
I
Q
R
L
V
I
A
G
H
L
L
R
S
Y
R
----------------------------------------------------------------------------------------------------------------------------------------------------------
113
HHSearch
86.03
41%
-77
- C1 -
1UKW
2
?
A:
[3-378]
---------------------------
F
S
L
T
E
E
Q
R
Q
----
L
Q
A
L
A
R
R
F
A
K
E
V
I
L
P
--
V
A
Q
E
Y
-
D
E
K
E
-
E
V
P
-
W
P
V
I
E
K
L
H
E
V
G
L
L
N
A
I
I
P
E
E
Y
G
G
M
G
L
---
K
M
L
D
E
V
I
V
G
E
---
E
-
L
A
Y
A
C
M
G
I
Y
T
I
P
M
A
S
D
-
L
G
I
T
P
V
L
L
A
G
T
E
E
Q
K
E
R
F
L
R
P
L
T
E
K
P
A
L
A
A
F
A
L
S
E
P
G
N
G
S
D
A
A
A
L
K
T
R
A
-
I
--
R
--
Q
--
G
D
-
H
Y
V
L
N
G
T
K
M
W
I
S
N
G
G
E
A
E
W
V
V
V
F
A
T
---
V
N
P
E
-----
L
--
R
H
K
----
G
V
V
A
L
V
V
E
R
G
T
P
G
F
K
A
I
K
I
H
G
K
M
G
Q
R
A
S
G
T
Y
E
L
V
F
E
D
V
K
V
P
V
E
N
R
L
G
E
E
-
G
E
G
F
K
I
A
M
Q
T
L
N
K
T
R
I
P
V
A
A
G
S
V
G
V
A
R
R
A
L
D
E
A
R
K
Y
A
K
E
R
E
A
F
G
E
P
I
A
N
F
Q
A
I
Q
F
K
L
V
D
M
L
I
G
I
E
T
A
R
M
Y
T
------
Y
Y
A
A
W
L
A
D
Q
G
--------------
L
-
P
H
A
H
A
S
A
I
A
K
A
Y
A
S
E
I
A
F
E
A
A
N
Q
A
I
Q
I
H
G
G
Y
G
Y
V
R
E
F
P
V
E
K
L
L
R
D
V
K
L
N
Q
I
Y
E
G
T
N
E
I
Q
R
L
I
I
A
R
H
I
L
A
A
------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
86.00
41%
-79
- C1 -
3PFD
26
?
A:
[22-393]
--------------------------------
E
H
I
A
----
L
R
E
A
I
R
A
L
A
E
K
E
I
A
P
--
Y
A
A
E
V
-
D
E
K
A
-
R
F
P
-
E
E
A
L
A
A
L
N
S
S
G
F
S
A
I
H
V
P
E
E
Y
G
G
Q
G
A
---
D
S
V
A
T
C
I
V
I
E
---
E
-
V
A
R
V
D
C
S
-
A
S
L
I
P
A
V
N
K
L
G
T
M
G
L
I
L
R
G
S
E
E
L
K
K
Q
V
L
P
A
V
A
S
G
E
A
M
A
S
Y
A
L
S
E
R
E
A
G
S
D
A
A
S
M
R
T
R
A
-
V
--
A
--
D
--
G
D
-
D
W
I
L
N
G
S
K
C
W
I
T
N
G
G
K
S
T
W
Y
T
V
M
A
V
---
T
D
P
D
-----
K
--
G
A
N
----
G
I
S
A
F
M
V
H
K
D
D
E
G
F
T
V
G
P
K
E
R
K
L
G
I
K
G
S
P
T
T
E
L
Y
F
E
N
C
R
I
P
G
D
R
I
I
-
G
E
P
G
T
G
F
K
T
A
L
A
T
L
D
H
T
R
P
T
I
G
A
Q
A
V
G
I
A
Q
G
A
L
D
A
A
I
A
Y
T
K
E
R
K
Q
F
G
R
P
V
S
D
N
Q
G
V
Q
F
M
L
A
D
M
A
M
K
I
E
A
A
R
L
M
V
------
Y
S
A
A
A
R
A
E
R
G
-----------------
G
-
F
I
S
A
A
S
K
C
F
A
S
D
V
A
M
E
V
T
T
D
A
V
Q
L
F
G
G
Y
G
Y
T
Q
D
F
P
V
E
R
M
M
R
D
A
K
I
T
Q
I
Y
E
G
T
N
Q
I
Q
R
V
V
M
S
R
A
L
L
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
85.93
41%
-83
- C1 -
4M9A
1
?
B:
[15-385]
-------------------------------
E
D
Q
R
M
----
I
L
D
A
A
R
A
F
C
A
E
V
L
A
P
--
N
A
A
Q
W
-
D
R
E
S
-
H
L
P
-
D
E
V
V
A
Q
M
G
E
L
G
F
L
G
M
I
V
P
A
D
W
G
G
------
S
Y
T
D
Y
V
A
Y
A
L
A
L
E
E
-
I
A
A
G
C
A
S
C
A
T
L
V
S
V
H
N
S
V
G
C
G
P
V
L
N
Y
G
T
T
E
Q
K
E
R
W
L
R
D
L
A
S
G
K
T
V
G
A
F
S
L
T
E
P
H
A
G
S
E
A
H
N
L
R
T
R
A
E
L
--
R
--
D
--
G
K
--
W
I
L
N
G
S
K
Q
F
V
T
N
G
A
R
A
G
L
A
I
V
F
A
M
---
T
D
P
D
-----
E
--
G
K
R
----
G
L
S
A
F
V
V
P
T
D
T
P
G
F
I
V
G
K
P
E
K
K
M
G
I
R
A
S
D
T
C
P
I
T
L
E
N
C
A
I
P
Q
E
N
L
L
G
K
-
R
G
E
G
L
K
I
A
L
S
N
L
E
G
G
R
I
G
I
A
A
Q
A
T
G
I
A
R
A
A
F
D
R
A
R
R
Y
A
R
E
R
V
Q
F
G
K
P
I
A
E
H
Q
A
I
A
E
K
L
A
N
M
A
T
Q
I
N
A
A
R
L
L
T
------
H
H
A
A
R
L
R
T
A
G
--------------
L
P
C
L
-
S
E
A
S
Q
A
K
L
F
A
S
E
M
A
E
A
V
C
S
D
A
I
Q
I
H
G
G
Y
G
F
L
V
D
Y
E
V
E
R
H
Y
R
D
A
R
I
T
Q
I
Y
E
G
T
S
E
V
Q
R
M
V
I
A
R
Q
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------
118
HHSearch
85.89
42%
-79
- C1 -
2D29
2
?
A:
[5-386]
---------------------------
F
E
E
G
A
E
E
R
Q
----
V
L
G
P
F
R
E
F
L
K
A
E
V
A
P
--
G
A
A
E
R
-
D
R
T
G
-
A
F
P
-
W
D
L
V
R
K
L
A
E
F
G
V
F
G
A
L
V
P
E
A
Y
G
G
A
G
L
---
S
T
R
L
F
A
R
M
V
E
---
A
-
I
A
Y
Y
D
G
A
L
A
L
T
V
A
S
H
N
S
L
A
T
G
H
I
L
L
A
G
S
E
A
Q
K
E
A
F
L
P
K
L
A
S
G
E
A
L
G
A
W
G
L
T
E
P
G
S
G
S
D
A
A
A
L
K
T
K
A
-
E
--
K
--
V
--
E
G
-
G
W
R
L
N
G
T
K
Q
F
I
T
Q
G
S
V
A
G
V
Y
V
V
M
A
R
---
T
D
P
P
P
SPE-
R
--
K
H
Q
----
G
I
S
A
F
A
F
F
R
P
E
R
G
L
K
V
G
R
K
E
E
K
L
G
L
T
A
S
D
T
A
Q
L
I
L
E
D
L
F
V
P
E
E
A
L
L
G
E
R
-
G
K
G
F
Y
D
V
L
R
V
L
D
G
G
R
I
G
I
A
A
M
A
V
G
L
G
Q
A
A
L
D
Y
A
L
A
Y
A
K
G
R
E
A
F
G
R
P
I
A
E
F
E
G
V
S
F
K
L
A
E
A
A
T
E
L
E
A
A
R
L
L
Y
------
L
K
A
A
E
L
K
D
A
G
--------------
R
-
P
F
T
L
E
A
A
Q
A
K
L
F
A
S
E
A
A
V
K
A
C
D
E
A
I
Q
I
L
G
G
Y
G
Y
V
K
D
Y
P
V
E
R
Y
W
R
D
A
R
L
T
R
I
G
E
G
T
S
E
I
L
K
L
V
I
A
R
R
L
L
E
A
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
85.84
41%
-83
- C1 -
4M9A
1
?
C:
[15-385]
-------------------------------
E
D
Q
R
M
----
I
L
D
A
A
R
A
F
C
A
E
V
L
A
P
--
N
A
A
Q
W
-
D
R
E
S
-
H
L
P
-
D
E
V
V
A
Q
M
G
E
L
G
F
L
G
M
I
V
P
A
D
W
G
G
------
S
Y
T
D
Y
V
A
Y
A
L
A
L
E
E
-
I
A
A
G
C
A
S
C
A
T
L
V
S
V
H
N
S
V
G
C
G
P
V
L
N
Y
G
T
T
E
Q
K
E
R
W
L
R
D
L
A
S
G
K
T
V
G
A
F
S
L
T
E
P
H
A
----
H
N
L
R
T
R
A
E
L
--
R
--
D
--
G
K
--
W
I
L
N
G
S
K
Q
F
V
T
N
G
A
R
A
G
L
A
I
V
F
A
M
---
T
D
P
D
-----
E
--
G
K
R
----
G
L
S
A
F
V
V
P
T
D
T
P
G
F
I
V
G
K
P
E
K
K
M
G
I
R
A
S
D
T
C
P
I
T
L
E
N
C
A
I
P
Q
E
N
L
L
G
K
-
R
G
E
G
L
K
I
A
L
S
N
L
E
G
G
R
I
G
I
A
A
Q
A
T
G
I
A
R
A
A
F
D
R
A
R
R
Y
A
R
E
R
V
Q
F
G
K
P
I
A
E
H
Q
A
I
A
E
K
L
A
N
M
A
T
Q
I
N
A
A
R
L
L
T
------
H
H
A
A
R
L
R
T
A
G
--------------
L
P
C
L
-
S
E
A
S
Q
A
K
L
F
A
S
E
M
A
E
A
V
C
S
D
A
I
Q
I
H
G
G
Y
G
F
L
V
D
Y
E
V
E
R
H
Y
R
D
A
R
I
T
Q
I
Y
E
G
T
S
E
V
Q
R
M
V
I
A
R
Q
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
84.97
43%
-84
- C1 -
2DVL
2
?
A:
[8-372]
----------------------------------
R
L
----
V
L
D
A
V
R
R
V
A
R
E
V
L
Y
P
--
L
A
P
E
Y
-
D
R
K
A
-
E
Y
P
-
W
P
Q
L
K
A
L
A
E
L
G
L
L
G
M
T
T
P
E
E
W
G
G
V
G
L
---
D
S
V
T
W
A
L
A
L
E
---
E
-
L
A
A
A
D
P
S
V
A
V
I
V
S
V
T
S
G
L
P
Q
Y
M
L
L
R
F
G
S
E
A
Q
K
R
R
Y
L
V
P
L
A
R
G
E
W
I
G
A
F
C
L
T
E
P
Q
A
G
S
D
A
K
S
L
R
A
E
A
-
R
--
R
--
V
--
K
G
-
G
F
V
L
N
G
V
K
S
W
I
T
S
A
G
H
A
H
L
Y
V
V
M
A
R
---
T
E
K
----------------
G
I
S
A
F
L
V
E
K
G
T
P
G
L
S
F
G
R
P
E
E
K
M
G
L
H
A
A
H
T
A
E
V
R
L
E
E
V
F
V
P
E
E
N
L
L
G
E
-
E
G
R
G
L
A
Y
A
L
A
G
L
D
S
G
R
V
G
V
A
A
Q
A
V
G
I
A
R
G
A
F
E
I
A
K
A
Y
A
E
E
R
E
Q
F
G
K
K
L
K
E
H
Q
A
I
A
F
K
I
A
D
M
H
V
K
I
A
A
A
R
A
L
V
------
L
E
A
A
R
K
K
D
R
G
--------------
E
R
F
T
-
L
E
A
S
A
A
K
L
F
A
S
A
A
A
V
E
V
T
R
E
A
V
Q
V
L
G
G
Y
G
Y
H
R
D
Y
R
V
E
R
Y
Y
R
D
A
K
V
T
E
I
Y
E
G
T
S
E
I
Q
R
L
V
I
A
R
E
L
Y
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
84.95
41%
-80
- C1 -
2D29
2
?
A:
[14-386]
----------------------------------------
V
L
G
P
F
R
E
F
L
K
A
E
V
A
P
--
G
A
A
E
R
-
D
R
T
G
-
A
F
P
-
W
D
L
V
R
K
L
A
E
F
G
V
F
G
A
L
V
P
E
A
Y
G
G
A
G
L
---
S
T
R
L
F
A
R
M
V
E
---
A
-
I
A
Y
Y
D
G
A
L
A
L
T
V
A
S
H
N
S
L
A
T
G
H
I
L
L
A
G
S
E
A
Q
K
E
A
F
L
P
K
L
A
S
G
E
A
L
G
A
W
G
L
T
E
P
G
S
G
S
D
A
A
A
L
K
T
K
A
-
E
--
K
--
V
--
E
G
-
G
W
R
L
N
G
T
K
Q
F
I
T
Q
G
S
V
A
G
V
Y
V
V
M
A
R
---
T
D
P
P
P
SPE-
R
--
K
H
Q
----
G
I
S
A
F
A
F
F
R
P
E
R
G
L
K
V
G
R
K
E
E
K
L
G
L
T
A
S
D
T
A
Q
L
I
L
E
D
L
F
V
P
E
E
A
L
L
G
-
E
R
G
K
G
F
Y
D
V
L
R
V
L
D
G
G
R
I
G
I
A
A
M
A
V
G
L
G
Q
A
A
L
D
Y
A
L
A
Y
A
K
G
R
E
A
F
G
R
P
I
A
E
F
E
G
V
S
F
K
L
A
E
A
A
T
E
L
E
A
A
R
L
L
Y
------
L
K
A
A
E
L
K
D
A
G
--------------
R
P
F
T
-
L
E
A
A
Q
A
K
L
F
A
S
E
A
A
V
K
A
C
D
E
A
I
Q
I
L
G
G
Y
G
Y
V
K
D
Y
P
V
E
R
Y
W
R
D
A
R
L
T
R
I
G
E
G
T
S
E
I
L
K
L
V
I
A
R
R
L
L
E
A
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------
123
Fugue
84.79
37%
-79
- C1 -
3MDD
2
ACADM_PIG
A:
[1-385]
------------------------GF
S
F
E
L
T
E
Q
Q
K
E
----
F
Q
A
T
A
R
K
F
A
R
E
E
I
I
P
--
V
A
A
E
Y
-
D
R
T
G
-
E
Y
P
-
V
P
L
L
K
R
A
W
E
L
G
L
M
N
T
H
I
P
E
S
F
G
G
L
G
-L--
G
I
I
D
S
C
L
I
T
E
---
E
-
L
A
Y
G
C
T
G
V
Q
T
A
I
E
A
N
T
-
L
G
Q
V
P
L
I
I
G
G
N
Y
Q
Q
Q
K
K
Y
L
G
R
M
T
E
E
P
L
M
C
A
Y
C
V
T
E
P
G
A
G
S
D
V
A
G
I
K
T
K
A
-
E
--
K
--
K
--
G
-D
E
Y
I
I
N
G
Q
K
M
W
I
T
N
G
G
K
A
N
W
Y
F
L
L
A
R
---
S
D
P
D
P
----
K
AP
A
S
K
----
A
F
T
G
F
I
V
E
A
D
T
P
G
V
Q
I
G
R
K
E
I
N
M
G
Q
R
C
S
D
T
R
G
I
V
F
E
D
V
R
V
P
K
E
N
V
L
T
G
-
E
G
A
G
F
K
I
A
M
G
T
F
D
K
T
R
P
P
V
A
A
G
A
V
G
L
A
Q
R
A
L
D
E
A
T
K
Y
A
L
E
R
K
T
F
G
K
L
L
A
E
H
Q
G
I
S
F
L
L
A
D
M
A
M
K
V
E
L
A
R
L
S
Y
------
Q
R
A
A
W
E
I
D
S
G
--------------
R
R
N
T
-
Y
Y
A
S
I
A
K
A
Y
A
A
D
I
A
N
Q
L
A
T
D
A
V
Q
V
F
G
G
N
G
F
N
T
E
Y
P
V
E
K
L
M
R
D
A
K
I
Y
Q
I
Y
E
G
T
A
Q
I
Q
R
I
I
I
A
R
E
H
I
G
R
Y
K
----------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
84.71
40%
-89
- C1 -
2Z1Q
2
?
B:
[30-416]
-------------------------------
E
S
V
K
E
----
I
A
R
T
T
R
T
F
V
E
R
E
V
L
P
L
L
E
R
M
E
H
-
G
E
L
E
L
N
V
P
---
L
M
R
K
A
G
E
L
G
L
L
A
I
D
V
P
E
E
Y
G
G
L
D
L
---
P
K
V
I
S
T
V
V
A
E
---
E
-
L
S
-
G
S
G
G
F
S
V
T
Y
G
A
H
T
S
I
G
T
L
P
L
V
Y
F
G
T
E
E
Q
K
R
K
Y
L
P
K
L
A
S
G
E
W
I
A
A
Y
C
L
T
E
P
G
S
G
S
D
A
L
A
A
K
T
R
A
-
T
L
S
E
--
D
--
G
K
-
H
Y
I
L
N
G
V
K
Q
W
I
S
N
A
G
F
A
H
L
F
T
V
F
A
K
---
V
D
-----------
G
E
----
H
F
T
A
F
L
V
E
R
D
T
P
G
L
S
F
G
P
E
E
K
K
M
G
I
K
A
S
S
T
R
Q
V
I
L
E
D
V
K
V
P
V
E
N
V
L
G
E
I
-
G
K
G
H
K
I
A
F
N
V
L
N
V
G
R
Y
K
L
G
A
G
A
V
G
G
A
K
R
A
L
E
L
S
A
Q
Y
A
T
Q
R
V
Q
F
G
R
P
I
G
R
F
G
L
I
Q
Q
K
L
G
E
M
A
S
R
I
Y
A
A
E
S
A
V
Y
R
T
V
G
L
I
D
E
A
L
L
G
K
K
G
P
E
A
V
M
A
G
I
------
E
E
Y
A
-
V
E
A
S
I
I
K
V
L
G
S
E
V
L
D
Y
V
V
D
E
G
V
Q
I
H
G
G
Y
G
Y
S
Q
E
Y
P
I
E
R
A
Y
R
D
A
R
I
N
R
I
F
E
G
T
N
E
I
N
R
L
L
I
P
G
M
L
L
R
R
A
E
P
---------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
83.43
43%
-80
- C1 -
2DVL
2
?
B:
[8-372]
----------------------------------
R
L
----
V
L
D
A
V
R
R
V
A
R
E
V
L
Y
P
--
L
A
P
E
Y
-
D
R
K
A
-
E
Y
P
-
W
P
Q
L
K
A
L
A
E
L
G
L
L
G
M
T
T
P
E
E
W
G
G
V
G
L
---
D
S
V
T
W
A
L
A
L
E
---
E
-
L
A
A
A
D
P
S
V
A
V
I
V
S
V
T
S
G
L
P
Q
Y
M
L
L
R
F
G
S
E
A
Q
K
R
R
Y
L
V
P
L
A
R
G
E
W
I
G
A
F
C
L
T
E
P
Q
A
G
S
D
A
K
S
L
R
A
E
A
-
R
--
R
--
V
--
K
G
-
G
F
V
L
N
G
V
K
S
W
I
T
S
A
G
H
A
H
L
Y
V
V
M
A
R
---
T
E
K
----------------
G
I
S
A
F
L
V
E
K
G
T
P
G
L
S
F
G
R
P
E
E
K
M
G
L
H
A
A
H
T
A
E
V
R
L
E
E
V
F
V
P
E
E
N
L
L
G
E
-
E
G
R
G
L
A
Y
A
L
A
G
L
D
S
G
R
V
G
V
A
A
Q
A
V
G
I
A
R
G
A
F
E
I
A
K
A
Y
A
E
E
R
E
Q
F
G
K
K
L
K
E
H
Q
A
I
A
F
K
I
A
D
M
H
V
K
I
A
A
A
R
A
L
V
------
L
E
A
A
R
K
K
D
R
G
--------------
E
R
F
T
-
L
E
A
S
A
A
K
L
F
A
S
A
A
A
V
E
V
T
R
E
A
V
Q
V
L
G
G
Y
G
Y
H
R
D
Y
R
V
E
R
Y
Y
R
D
A
K
V
T
E
I
Y
E
G
T
S
E
I
Q
R
L
V
I
A
R
E
L
Y
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
82.10
42%
-74
- C1 -
1UKW
2
?
A:
[17-379]
---------------------------------------------
R
R
F
A
K
E
V
I
L
P
--
V
A
Q
E
Y
-
D
E
K
E
-
E
V
P
-
W
P
V
I
E
K
L
H
E
V
G
L
L
N
A
I
I
P
E
E
Y
G
G
M
G
L
---
K
M
L
D
E
V
I
V
G
E
---
E
-
L
A
Y
A
C
M
G
I
Y
T
I
P
M
A
S
D
-
L
G
I
T
P
V
L
L
A
G
T
E
E
Q
K
E
R
F
L
R
P
L
T
E
K
P
A
L
A
A
F
A
L
S
E
P
G
N
G
S
D
A
A
A
L
K
T
R
A
-
I
--
R
--
Q
--
G
D
-
H
Y
V
L
N
G
T
K
M
W
I
S
N
G
G
E
A
E
W
V
V
V
F
A
T
---
V
N
P
E
L
----
R
--
H
K
G
-----
V
V
A
L
V
V
E
R
G
T
P
G
F
K
A
I
K
I
H
G
K
M
G
Q
R
A
S
G
T
Y
E
L
V
F
E
D
V
K
V
P
V
E
N
R
L
G
E
-
E
G
E
G
F
K
I
A
M
Q
T
L
N
K
T
R
I
P
V
A
A
G
S
V
G
V
A
R
R
A
L
D
E
A
R
K
Y
A
K
E
R
E
A
F
G
E
P
I
A
N
F
Q
A
I
Q
F
K
L
V
D
M
L
I
G
I
E
T
A
R
M
Y
T
------
Y
Y
A
A
W
L
A
D
Q
G
--------------
L
P
H
A
-
H
A
S
A
I
A
K
A
Y
A
S
E
I
A
F
E
A
A
N
Q
A
I
Q
I
H
G
G
Y
G
Y
V
R
E
F
P
V
E
K
L
L
R
D
V
K
L
N
Q
I
Y
E
G
T
N
E
I
Q
R
L
I
I
A
R
H
I
L
A
A
------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
81.17
42%
-83
- C1 -
4N5F
10
?
B:
[15-385]
-------------------------------
E
D
Q
R
M
----
I
R
D
A
A
R
A
F
A
T
E
M
L
A
P
--
N
A
A
Q
W
-
D
H
D
A
-
H
L
P
-
D
A
I
V
A
Q
L
G
E
L
G
L
L
G
M
I
V
P
Q
E
L
G
G
------
S
Y
T
D
Y
V
A
Y
A
L
A
M
E
E
-
V
A
A
G
D
A
A
C
A
T
M
M
S
V
H
N
S
V
G
C
G
P
I
L
G
F
G
T
P
A
Q
K
D
R
W
L
A
D
M
A
A
G
R
V
I
G
A
F
C
L
T
E
P
H
-------
L
R
T
R
A
E
L
--
R
--
D
------
W
V
L
N
G
A
K
Q
F
V
T
N
G
Q
R
A
G
V
A
I
V
F
A
M
---
T
D
P
E
A
-------
G
K
R
----
G
I
S
A
F
L
V
P
T
D
T
P
G
F
I
V
G
K
P
E
K
K
M
G
I
R
A
S
D
T
C
P
I
T
F
E
N
C
A
I
P
E
D
N
L
L
G
N
-
R
G
E
G
L
K
I
A
L
S
N
L
E
G
G
R
I
G
I
A
A
Q
A
L
G
I
A
R
A
A
F
D
K
A
R
R
Y
A
G
E
R
V
Q
F
G
K
P
I
A
E
H
Q
A
I
Q
Q
K
L
A
D
M
A
V
Q
I
N
A
A
R
L
L
V
------
H
H
A
A
K
L
R
T
A
G
--------------
L
P
C
L
-
S
E
A
S
Q
A
K
L
F
A
S
E
M
A
E
R
V
C
S
D
A
I
Q
I
H
G
G
Y
G
Y
L
V
D
Y
E
V
E
R
H
Y
R
D
A
R
I
T
Q
I
Y
E
G
T
S
E
V
Q
R
M
V
I
A
R
Q
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------
120
HHSearch
77.29
37%
-75
- C1 -
1BUC
3
ACDS_MEGEL
A:
[3-383]
---------------------------
F
N
L
T
D
I
Q
Q
D
----
F
L
K
L
A
H
D
F
G
E
K
K
L
A
P
--
T
V
T
E
R
-
D
H
K
G
-
I
Y
D
-
K
E
L
I
D
E
L
L
S
L
G
I
T
G
A
Y
F
E
E
K
Y
G
G
S
G
D
DGG
D
V
L
S
Y
I
L
A
V
E
---
E
-
L
A
K
Y
D
A
G
V
A
I
T
L
S
A
T
V
S
L
C
A
N
P
I
W
Q
F
G
T
E
A
Q
K
E
K
F
L
V
P
L
V
E
G
T
K
L
G
A
F
G
L
T
E
P
N
A
G
T
D
A
S
G
Q
Q
T
I
A
-
T
--
K
--
N
D-
D
G
-
T
Y
T
L
N
G
S
K
I
F
I
T
N
G
G
A
A
D
I
Y
I
V
F
A
M
---
T
D
K
S
-----
K
--
G
N
H
----
G
I
T
A
F
I
L
E
D
G
T
P
G
F
T
Y
G
K
K
E
D
K
M
G
I
H
T
S
Q
T
M
E
L
V
F
Q
D
V
K
V
P
A
E
N
M
L
G
E
E
-
G
K
G
F
K
I
A
M
M
T
L
D
G
G
R
I
G
V
A
A
Q
A
L
G
I
A
E
A
A
L
A
D
A
V
E
Y
S
K
Q
R
V
Q
F
G
K
P
L
C
K
F
Q
S
I
S
F
K
L
A
D
M
K
M
Q
I
E
A
A
R
N
L
V
------
Y
K
A
A
C
K
K
Q
E
G
--------------
K
-
P
F
T
V
D
A
A
I
A
K
R
V
A
S
D
V
A
M
R
V
T
T
E
A
V
Q
I
F
G
G
Y
G
Y
S
E
E
Y
P
V
A
R
H
M
R
D
A
K
I
T
Q
I
Y
E
G
T
N
E
V
Q
L
M
V
T
G
G
A
L
L
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------
114
HHSearch
77.02
31%
-80
- C1 -
3SF6
17
?
A:
[28-400]
---------------------------
A
V
L
S
A
E
E
R
E
----
I
R
D
T
V
R
S
V
V
Q
R
R
I
K
P
--
H
I
A
S
W
-
Y
E
D
G
-
E
L
P
A
R
E
L
A
V
E
L
G
E
L
G
L
L
G
M
H
L
K
-
G
Y
G
C
A
G
M
---
S
A
V
A
Y
G
L
A
C
L
---
E
-
L
E
A
G
D
S
G
I
R
S
L
V
S
V
Q
G
S
L
A
M
Y
A
I
H
A
F
G
S
D
E
Q
K
D
Q
W
L
P
D
M
A
S
G
H
R
I
G
C
F
G
L
T
E
P
D
H
G
S
D
P
A
G
M
R
T
R
A
-
T
--
R
--
S
--
G
D
-
D
W
I
L
T
G
T
K
M
W
I
T
N
G
S
V
A
D
V
A
V
V
W
A
R
---
T
D
------------
E
----
G
I
R
G
F
V
V
P
T
D
T
P
G
F
T
A
N
T
I
K
S
K
M
S
L
R
A
S
V
T
S
E
L
V
L
D
G
V
R
L
P
D
S
A
R
L
P
G
A
-
T
-
S
L
G
A
P
L
R
C
L
N
E
A
R
F
G
I
V
F
G
A
L
G
A
A
R
D
C
L
E
T
A
L
A
Y
A
C
S
R
E
Q
F
D
R
P
I
G
G
F
Q
L
T
Q
Q
K
L
A
D
M
T
L
E
Y
G
K
G
F
L
L
A
------
L
H
L
G
R
Q
K
D
A
G
--------------
E
-
L
A
P
E
Q
V
S
L
G
K
L
N
N
V
R
E
A
I
E
I
A
R
T
A
R
T
V
L
G
A
S
G
I
T
G
E
Y
P
V
M
R
H
A
N
N
L
E
S
V
L
T
Y
E
G
T
S
E
M
H
T
L
I
I
G
Q
A
L
T
G
V
G
A
F
---------------------------------------------------------------------------------------------------------------------------------------------------------
93
PsiBlast_CBE
72.94
37%
-73
- C1 -
1BUC
3
ACDS_MEGEL
A:
[12-383]
----------------------------------------
F
L
K
L
A
H
D
F
G
E
K
K
L
A
P
--
T
V
T
E
R
-
D
H
K
G
-
I
Y
D
-
K
E
L
I
D
E
L
L
S
L
G
I
T
G
A
Y
F
E
E
K
Y
G
G
S
G
D
---
D
G
G
D
V
L
S
Y
I
L
A
V
E
E
-
L
A
K
Y
D
A
G
V
A
I
T
L
S
A
T
V
S
L
C
A
N
P
I
W
Q
F
G
T
E
A
Q
K
E
K
F
L
V
P
L
V
E
G
T
K
L
G
A
F
G
L
T
E
P
N
A
G
T
D
A
S
G
Q
Q
T
I
A
-
T
--
K
--
N
--
D
D
G
T
Y
T
L
N
G
S
K
I
F
I
T
N
G
G
A
A
D
I
Y
I
V
F
A
M
---
T
D
K
S
-----
K
--
G
N
H
----
G
I
T
A
F
I
L
E
D
G
T
P
G
F
T
Y
G
K
K
E
D
K
M
G
I
H
T
S
Q
T
M
E
L
V
F
Q
D
V
K
V
P
A
E
N
M
L
G
E
-
E
G
K
G
F
K
I
A
M
M
T
L
D
G
G
R
I
G
V
A
A
Q
A
L
G
I
A
E
A
A
L
A
D
A
V
E
Y
S
K
Q
R
V
Q
F
G
K
P
L
C
K
F
Q
S
I
S
F
K
L
A
D
M
K
M
Q
I
E
A
A
R
N
L
V
------
Y
K
A
A
C
K
K
Q
E
G
--------------
K
P
F
T
-
V
D
A
A
I
A
K
R
V
A
S
D
V
A
M
R
V
T
T
E
A
V
Q
I
F
G
G
Y
G
Y
S
E
E
Y
P
V
A
R
H
M
R
D
A
K
I
T
Q
I
Y
E
G
T
N
E
V
Q
L
M
V
T
G
G
A
L
L
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------