@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 : Rv0154c: (2016-04-20 )
MSAKAIDYRTRLSDFMTEHVFGAEADYDDYRRAAGPADHTAPPIIEELKTKAKDRGLWNLFLSAESGLTNLEYAPLAEMTGWSMEIAPEALNCAAPDTGNMEILHMFGTEQQRAQWLRPLLDGKIRSAFSMTEPAVASSDARNIETTISRDGADYVINGRKWWTSGAADPRCKILIVMGRTNPDAAAHQQQSMVLVPIDTPGVTIVRSTPVFGWQDRHGHCEIDYHNVRVPATNLLGEEGSGFAIAQARLGPGRIHHCMRALGAAERALALMVNRVRNRVAFGRPLAEQGVVQQAIAQSRNEIDQARLLCEKAAWTIDQHGNKEARHLVAMIKAVAPRVACDVIDRAIQVHGAAGVSDDTPLARLYGWHRAMRIFDGPDEVHLRSIARAELSREKSTFAAAVT
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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----MSAK
A
I
D
Y
R
T
R
L
S
D
F
M
T
E
H
VFGAEA
D
Y
D
D
-
Y
RR-------AAGPADHTAP
P
-
I
I
E
E
L
K
T
K
-
A
KDRG
L
W
N
L
F
L
---S-A---E---SGLTN--LEYAPLAE-M--TGWS
M
E
IAP
E
----
A
LNC--AA-----PDTG
N
M
E
--
I
L
H
MFG
T
E
Q
Q
R
A
Q
W
L
R
P
L
LD
G
K
I
R
S
A
FSMTEPAVASSDARNIE
T
T
ISR--DGA-
D
Y
V
I
NG
R
K
W
WTSGAADP
R
C
K
I
--
L
I
V
M
GRT-NP
D
-
A
--AAHQQ
Q
S
M
V
L
V
P
IDTP
G
V
T
I
V
RSTPVFGWQDR--H--G
H
C
E
I
D
Y
H
N
V
RVP
A
T
NLLGE-EGS
G
F
A
I
A
QARLG
P
G
R
I
H
H
C
M
R
A
L
G
A
A
E
R
A
L
A
L
M
V
N
R
V
R
N
R
VAFGR
P
L
A
E
Q
G
V
V
Q
Q
A
I
A
Q
S
R
N
E
I
D
Q
A
R
L
L
C
E
K
A
A
W
TIDQHG
N
-----------------
K
E
A
R
H
L
V
A
M
I
K
A
V
A
P
R
V
A
C
D
V
I
D
R
A
I
Q
V
HGAAGVSDDT
P
L
A
R
L
Y
G
W
H
R
A
M
R
IFDGP
D
E
V
H
L
R
S
I
A
R
A
E
L
SREKS
T
F
A
AAVT
21
PsiBlast_CBE
94.90
51%
-97
- C1 -
2WBI
10
ACD11_HUMAN
B:
[26-424]
-------
K
G
Q
E
V
L
I
K
V
K
H
F
M
K
Q
H
I
L
P
A
E
K
E
V
T
E
F
Y
V
Q
-------
N
E
N
S
V
D
K
W
G
K
P
L
V
I
D
K
L
K
E
M
-
A
K
V
E
G
L
W
N
L
F
L
---
P
-
A
---
V
---
S
G
L
S
H
--
V
D
Y
A
L
I
A
E
-
E
--
T
G
K
C
F
-
F
A
P
D
----
V
F
N
C
--
Q
A
-----
P
D
T
G
N
M
E
--
V
L
H
L
Y
G
S
E
E
Q
K
K
Q
W
L
E
P
L
L
Q
G
N
I
T
S
C
F
C
M
T
E
P
D
V
A
S
S
D
A
T
N
I
E
C
S
I
Q
R
--
D
E
D
-
S
Y
V
I
N
G
K
K
W
W
S
S
G
A
G
N
P
K
C
K
I
--
A
I
V
L
G
R
T
Q
N
T
S
--------
Q
H
S
M
I
L
V
P
M
N
T
P
G
V
K
I
I
R
P
L
S
V
F
G
Y
T
D
N
--
F
HG
G
H
F
E
I
H
F
N
Q
V
R
V
P
A
T
N
L
I
L
G
-
E
G
R
G
F
E
I
S
Q
G
R
L
G
P
G
R
I
H
H
C
M
R
T
V
G
L
A
E
R
A
L
Q
I
M
C
E
R
A
T
Q
R
I
A
F
K
K
K
L
Y
A
H
E
V
V
A
H
W
I
A
E
S
R
I
A
I
E
K
I
R
L
L
T
L
K
A
A
H
S
M
D
T
L
G
S
-----------------
A
G
A
K
K
E
I
A
M
I
K
V
A
A
P
R
A
V
S
K
I
V
D
W
A
I
Q
V
C
G
G
A
G
V
S
Q
D
Y
P
L
A
N
M
Y
A
I
T
R
V
L
R
L
A
D
G
P
D
E
V
H
L
S
A
I
A
T
M
E
L
R
D
Q
A
K
R
L
-----
1
PsiBlast_PDB
91.83
51%
-96
- C1 -
2WBI
7
ACD11_HUMAN
A:
[26-425]
-------
K
G
Q
E
V
L
I
K
V
K
H
F
M
K
Q
H
I
L
P
A
E
K
E
V
T
E
-----------------
K
W
G
K
P
L
V
I
D
K
L
K
E
M
-
A
K
V
E
G
L
W
N
L
F
L
---
P
-
A
---
V
---
S
G
L
S
H
--
V
D
Y
A
L
I
A
E
-
E
--
T
G
K
C
F
-
F
A
P
D
----
V
F
N
C
--
Q
A
-----
P
D
T
G
N
M
E
--
V
L
H
L
Y
G
S
E
E
Q
K
K
Q
W
L
E
P
L
L
Q
G
N
I
T
S
C
F
C
M
T
E
P
D
V
A
S
S
D
A
T
N
I
E
C
S
I
Q
R
--
D
E
D
-
S
Y
V
I
N
G
K
K
W
W
S
S
G
A
G
N
P
K
C
K
I
--
A
I
V
L
G
R
T
Q
N
T
S
-
L
--
S
R
H
K
Q
H
S
M
I
L
V
P
M
N
T
P
G
V
K
I
I
R
P
L
S
V
F
G
Y
T
D
N
--
F
HG
G
H
F
E
I
H
F
N
Q
V
R
V
P
A
T
N
L
I
L
G
-
E
G
R
G
F
E
I
S
Q
G
R
L
G
P
G
R
I
H
H
C
M
R
T
V
G
L
A
E
R
A
L
Q
I
M
C
E
R
A
T
Q
R
I
A
F
K
K
K
L
Y
A
H
E
V
V
A
H
W
I
A
E
S
R
I
A
I
E
K
I
R
L
L
T
L
K
A
A
H
S
M
D
T
L
G
S
-----------------
A
G
A
K
K
E
I
A
M
I
K
V
A
A
P
R
A
V
S
K
I
V
D
W
A
I
Q
V
C
G
G
A
G
V
S
Q
D
Y
P
L
A
N
M
Y
A
I
T
R
V
L
R
L
A
D
G
P
D
E
V
H
L
S
A
I
A
T
M
E
L
R
D
Q
A
K
R
L
T
----
52
HHSearch
88.65
50%
-92
- C1 -
2WBI
7
ACD11_HUMAN
A:
[23-425]
----
Q
T
R
K
G
Q
E
V
L
I
K
V
K
H
F
M
K
Q
H
I
L
P
A
E
K
E
V
T
E
----------------
K
W
-
G
K
P
-
L
V
I
D
K
L
K
E
M
A
K
V
E
G
L
W
N
L
F
L
---
P
-
A
---
V
---
S
G
L
S
H
--
V
D
Y
A
L
I
A
E
-
E
--
T
G
K
C
F
F
A
P
-
D
----
V
F
N
C
--
Q
A
-----
P
D
T
G
N
M
E
--
V
L
H
L
Y
G
S
E
E
Q
K
K
Q
W
L
E
P
L
L
Q
G
N
I
T
S
C
F
C
M
T
E
P
D
V
A
S
S
D
A
T
N
I
E
C
S
I
Q
R
--
D
E
D
-
S
Y
V
I
N
G
K
K
W
W
S
S
G
A
G
N
P
K
C
K
I
--
A
I
V
L
G
R
T
-
Q
N
T
S
L
--
S
R
H
K
Q
H
S
M
I
L
V
P
M
N
T
P
G
V
K
I
I
R
P
L
S
V
F
G
Y
T
D
N
FH
G
--
G
H
F
E
I
H
F
N
Q
V
R
V
P
A
T
N
L
I
L
G
-
E
G
R
G
F
E
I
S
Q
G
R
L
G
P
G
R
I
H
H
C
M
R
T
V
G
L
A
E
R
A
L
Q
I
M
C
E
R
A
T
Q
R
I
A
F
K
K
K
L
Y
A
H
E
V
V
A
H
W
I
A
E
S
R
I
A
I
E
K
I
R
L
L
T
L
K
A
A
H
S
M
D
T
L
G
S
-----------------
A
G
A
K
K
E
I
A
M
I
K
V
A
A
P
R
A
V
S
K
I
V
D
W
A
I
Q
V
C
G
G
A
G
V
S
Q
D
Y
P
L
A
N
M
Y
A
I
T
R
V
L
R
L
A
D
G
P
D
E
V
H
L
S
A
I
A
T
M
E
L
R
D
Q
A
K
R
L
T
----
53
HHSearch
84.02
46%
-84
- C1 -
4HR3
1
?
A:
[9-413]
----
P
S
A
R
A
A
E
L
I
A
A
V
R
E
F
I
D
A
E
V
M
P
V
E
R
A
V
L
A
-
H
H
D
E
L
L
G
A
RA
G
T
T
A
E
L
W
H
V
P
P
-
E
L
D
S
L
K
A
K
-
A
R
A
A
G
L
W
N
L
F
L
---
P
-
D
PEL
G
---
G
G
L
S
N
--
S
E
Y
A
P
L
A
E
-
Q
--
M
G
R
S
L
F
A
P
-
T
----
V
F
N
C
--
N
A
-----
P
D
S
G
N
M
E
--
V
L
H
R
Y
G
S
Q
E
Q
K
E
V
W
L
E
P
L
L
E
G
D
I
R
S
A
F
C
M
T
E
P
D
V
A
S
S
D
A
T
N
M
A
A
T
A
V
V
--
E
G
D
-
E
V
V
I
N
G
R
K
W
W
S
T
G
V
G
H
--
P
D
C
KV
I
I
F
M
G
L
T
-
D
P
N
-
A
--
H
R
Y
A
R
H
S
M
V
L
V
P
M
D
T
P
G
I
T
V
E
R
M
L
P
T
M
G
F
Y
D
E
P-
G
--
G
H
G
V
V
S
F
D
N
V
R
L
P
A
D
A
F
I
A
G
-
P
G
K
G
F
E
I
A
Q
G
R
L
G
P
G
R
V
H
H
A
M
R
L
I
G
L
A
E
V
A
L
E
H
A
C
R
R
G
L
D
R
T
A
F
G
K
P
L
V
N
L
G
G
N
R
E
R
I
A
D
A
R
I
A
I
N
Q
T
R
L
L
V
L
H
A
A
W
L
L
D
T
V
G
I
-----------------
M
G
A
L
S
A
V
S
E
I
K
V
A
A
P
N
M
A
Q
Q
V
I
D
M
A
I
Q
I
H
G
G
G
G
L
S
N
D
F
P
L
A
A
A
W
V
N
A
R
A
L
R
L
A
D
G
P
D
E
V
H
R
G
V
V
A
R
I
E
L
A
K
Y
A
--------
2
PsiBlast_PDB
80.00
50%
-89
- C1 -
4HR3
1
?
A:
[57-411]
-----------------------------------------------------
P
P
-
E
L
D
S
L
K
A
K
-
A
R
A
A
G
L
W
N
L
F
L
PDP
E
-
L
---
G
---
G
G
L
S
N
--
S
E
Y
A
P
L
A
E
-
Q
--
M
G
R
S
L
-
F
A
P
T
----
V
F
N
C
--
N
A
-----
P
D
S
G
N
M
E
--
V
L
H
R
Y
G
S
Q
E
Q
K
E
V
W
L
E
P
L
L
E
G
D
I
R
S
A
F
C
M
T
E
P
D
V
A
S
S
D
A
T
N
M
A
A
T
A
V
V
--
E
G
D
-
E
V
V
I
N
G
R
K
W
W
S
T
G
V
G
H
P
D
C
K
V
--
I
I
F
M
G
L
T
-
D
P
N
-
A
--
H
R
Y
A
R
H
S
M
V
L
V
P
M
D
T
P
G
I
T
V
E
R
M
L
P
T
M
G
F
Y
D
E
P-
G
--
G
H
G
V
V
S
F
D
N
V
R
L
P
A
D
A
F
I
A
G
-
P
G
K
G
F
E
I
A
Q
G
R
L
G
P
G
R
V
H
H
A
M
R
L
I
G
L
A
E
V
A
L
E
H
A
C
R
R
G
L
D
R
T
A
F
G
K
P
L
V
N
L
G
G
N
R
E
R
I
A
D
A
R
I
A
I
N
Q
T
R
L
L
V
L
H
A
A
W
L
L
D
T
V
G
I
-----------------
M
G
A
L
S
A
V
S
E
I
K
V
A
A
P
N
M
A
Q
Q
V
I
D
M
A
I
Q
I
H
G
G
G
G
L
S
N
D
F
P
L
A
A
A
W
V
N
A
R
A
L
R
L
A
D
G
P
D
E
V
H
R
G
V
V
A
R
I
E
L
A
K
----------
66
HHSearch
65.83
26%
-79
- C1 -
2PG0
2
?
A:
[10-383]
----
L
R
E
E
H
H
M
F
R
A
A
F
R
K
F
L
E
K
E
A
Y
P
H
Y
N
D
W
E
K
-
R
------------------
G
I
-
I
P
R
S
F
W
A
K
-
M
G
E
N
G
F
L
C
P
W
V
---
D
-
E
KYG
G
---
L
N
A
D
F
--
A
Y
S
V
V
I
N
E
-
E
--
L
E
K
V
G
S
S
L
V
G
-------
I
--
G
L
-----
H
N
D
I
V
T
P
--
Y
I
A
S
Y
G
T
E
E
Q
K
Q
K
W
L
P
K
C
V
T
G
E
L
I
T
A
I
A
M
T
E
P
G
-
A
G
S
D
L
A
N
I
S
T
T
A
V
K
--
D
G
D
-
Y
Y
I
V
N
G
Q
K
T
F
I
T
N
G
I
H
--
A
D
L
--
I
V
V
A
C
K
T
-
D
P
Q
-
A
K-
P
P
H
R
G
I
S
L
L
V
V
E
R
D
T
P
G
F
T
R
G
R
K
L
E
K
V
G
L
H
A
---
Q
--
D
T
A
E
L
F
F
Q
D
A
K
V
P
A
Y
N
L
L
G
E
-
E
G
K
G
F
Y
Y
L
M
E
K
L
Q
Q
E
R
L
V
V
A
I
A
A
Q
T
A
A
E
V
M
F
S
L
T
K
Q
Y
V
K
Q
R
T
A
F
G
K
R
V
S
E
F
Q
T
V
Q
F
R
L
A
E
M
A
T
E
I
A
L
G
R
T
F
V
D
R
V
I
E
E
H
M
A
G
K
-------------------
Q
I
V
T
E
V
S
M
A
K
W
W
I
T
E
M
A
K
R
V
A
A
E
A
M
Q
L
H
G
G
Y
G
Y
M
E
E
Y
E
I
A
R
R
Y
R
D
I
P
V
S
A
I
Y
A
G
T
N
E
M
M
K
T
I
I
A
R
Q
L
-------------
70
HHSearch
65.48
28%
-73
- C1 -
4IV6
2
?
A:
[7-387]
----
L
T
A
E
E
E
T
I
V
K
T
V
H
D
F
V
E
K
Q
V
K
P
V
V
R
E
L
E
H
-
A
------------------
N
T
-
Y
P
E
E
L
I
E
T
-
M
K
E
I
G
I
F
G
L
A
I
---
P
-
E
PYG
F
---
G
A
V
S
M
--
P
C
Y
V
Q
V
A
E
-
E
--
L
A
R
G
W
M
S
L
A
G
----
A
-----
M
G
-----
G
H
T
V
V
S
K
--
L
L
L
L
F
G
T
E
E
Q
K
Q
K
Y
L
P
R
M
A
T
G
E
L
R
A
T
M
A
L
T
E
P
G
-
G
G
S
D
L
Q
A
M
R
T
V
A
R
R
--
D
G
D
-
D
Y
V
I
N
G
S
K
T
W
I
S
N
A
R
R
--
S
D
L
--
V
A
L
M
C
K
T
-
D
P
D
A
Q
--
P
A
H
K
G
V
S
I
L
L
V
E
K
-
V
P
G
F
D
V
S
R
D
L
P
K
L
G
Y
K
G
---
V
--
E
S
C
E
L
N
F
T
D
A
R
V
P
V
S
S
L
L
G
D
D
E
G
R
G
F
A
Q
M
M
K
G
L
E
V
G
R
L
Q
V
A
A
R
A
T
G
V
A
R
A
A
F
E
D
A
L
R
Y
S
Q
E
R
E
S
F
G
K
P
I
W
Q
H
Q
S
V
G
N
M
L
A
D
M
G
T
K
L
Y
A
A
R
S
L
L
L
S
A
A
E
K
F
D
A
G
Q
-------------------
R
C
D
M
E
A
G
M
A
K
L
F
A
S
E
T
A
M
Q
I
A
L
D
A
V
R
V
H
G
G
Y
G
Y
S
T
E
Y
D
V
E
R
Y
F
R
D
A
P
L
M
I
V
G
E
G
T
N
E
I
Q
R
N
V
I
A
K
Q
L
V
A
R
G
G
L
D
------
40
PsiBlast_CBE
65.23
31%
-86
- C1 -
4M9A
1
?
B:
[47-383]
----------------------------------------------------------
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
---------------
67
HHSearch
65.00
24%
-73
- C1 -
4P13
3
ACADM_HUMAN
A:
[7-386]
----
F
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
K
-
T
G
------------------
E
-
Y
P
V
P
L
I
R
R
-
A
W
E
L
G
L
M
N
T
H
I
---
P
-
E
NCG
G
---
L
G
L
G
T
--
F
D
A
C
L
I
S
E
-
E
--
L
A
Y
G
C
T
G
V
Q
T
----
A
-----
I
E
-----
G
N
S
L
G
Q
M
--
P
I
I
I
A
G
N
D
Q
Q
K
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
KA
P
A
N
K
A
F
T
G
F
I
V
E
A
D
T
P
G
I
Q
I
G
R
K
E
L
N
M
G
Q
R
C
---
S
--
D
T
R
G
I
V
F
E
D
V
K
V
P
K
E
N
V
L
I
G
-
D
G
A
G
F
K
V
A
M
G
A
F
D
K
T
R
P
V
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
V
E
H
Q
A
I
S
F
M
L
A
E
M
A
M
E
V
E
L
A
R
M
S
Y
Q
R
A
A
W
E
V
D
S
G
R
-------------------
R
N
T
Y
Y
A
S
I
A
K
A
F
A
G
D
I
A
N
Q
L
A
T
D
A
V
Q
I
L
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
S
Q
I
Q
R
L
I
V
A
R
E
H
I
D
K
Y
K
--------
71
HHSearch
64.87
29%
-80
- C1 -
5IDU
7
?
A:
[26-404]
----
F
E
A
R
H
R
E
L
A
A
G
I
E
A
W
A
T
Q
H
L
A
C
V
Q
--
H
D
D
-------------------
T
D
T
-
T
C
R
K
L
V
R
A
-
L
G
E
A
G
W
L
K
Y
G
V
---
G
G
A
QYG
G
---
H
G
D
T
I
D
T
R
A
V
C
L
L
R
E
-
T
--
L
A
N
H
D
G
L
A
D
F
----
A
L
A
----------
M
Q
G
L
G
S
G
--
A
I
T
L
A
G
T
H
E
Q
K
I
R
Y
L
P
R
V
S
K
G
E
A
I
A
A
F
A
L
S
E
P
D
-
A
G
S
D
V
A
A
M
S
L
Q
A
R
A
--
E
G
D
-
C
Y
V
I
D
G
D
K
T
W
I
S
N
G
G
I
--
A
D
F
--
Y
V
V
F
A
R
T
-
G
E
A
----
P
G
A
R
G
I
S
A
F
I
V
D
A
D
T
P
G
L
Q
I
A
E
R
I
D
V
I
A
P
-----
H
--
P
L
A
R
L
H
F
D
S
A
R
V
P
R
S
Q
M
L
G
A
-
P
G
E
G
F
K
I
A
M
R
T
L
D
V
F
R
T
S
V
A
A
A
S
L
G
F
A
R
R
A
L
Q
E
G
L
A
R
A
A
S
R
K
M
F
G
Q
T
L
G
D
F
Q
L
T
Q
T
K
L
A
Q
M
A
L
T
I
D
S
S
A
L
L
V
Y
R
A
A
W
L
R
D
Q
G
E
N
-------------------
V
T
R
E
A
A
M
A
K
W
H
A
S
E
G
A
Q
Q
V
I
D
A
A
V
Q
L
W
G
G
M
G
V
Q
S
G
T
T
V
E
R
L
Y
R
E
I
R
A
L
R
I
Y
E
G
A
T
E
V
Q
Q
L
I
V
G
R
D
L
L
K
A
H
A
A
Q
R
-----
59
HHSearch
63.44
26%
-76
- C1 -
1RX0
8
ACAD8_HUMAN
A:
[19-392]
----
L
N
E
E
Q
K
E
F
Q
K
V
A
F
D
F
A
A
R
E
M
A
P
N
M
A
E
W
D
Q
-
K
------------------
E
L
-
F
P
V
D
V
M
R
K
-
A
A
Q
L
G
F
G
G
V
Y
I
---
Q
-
T
DVG
G
---
S
G
L
S
R
--
L
D
T
S
V
I
F
E
-
A
--
L
A
T
G
C
T
S
T
T
A
----
Y
-----
I
S
-----
I
H
N
M
C
A
W
--
M
I
D
S
F
G
N
E
E
Q
R
H
K
F
C
P
P
L
C
T
M
E
K
F
A
S
Y
C
L
T
E
P
G
-
S
G
S
D
A
A
S
L
L
T
S
A
K
K
--
Q
G
D
-
H
Y
I
L
N
G
S
K
A
F
I
S
G
A
G
E
--
S
D
I
--
Y
V
V
M
C
R
T
-
G
G
P
-----
G
P
K
G
I
S
C
I
V
V
E
K
G
T
P
G
L
S
F
G
K
K
E
K
K
V
G
W
N
S
---
Q
--
P
T
R
A
V
I
F
E
D
C
A
V
P
V
A
N
R
I
G
S
-
E
G
Q
G
F
L
I
A
V
R
G
L
N
G
G
R
I
N
I
A
S
C
S
L
G
A
A
H
A
S
V
I
L
T
R
D
H
L
N
V
R
K
Q
F
G
E
P
L
A
S
N
Q
Y
L
Q
F
T
L
A
D
M
A
T
R
L
V
A
A
R
L
M
V
R
N
A
A
V
A
L
Q
E
E
R
K
------------------
D
A
V
A
L
C
S
M
A
K
L
F
A
T
D
E
C
F
A
I
C
N
Q
A
L
Q
M
H
G
G
Y
G
Y
L
K
D
Y
A
V
Q
Q
Y
V
R
D
S
R
V
H
Q
I
L
E
G
S
N
E
V
M
R
I
L
I
S
R
S
L
L
Q
-----------
5
PsiBlast_PDB
62.58
31%
-70
- C1 -
1UKW
2
?
A:
[19-374]
------------------
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
---------------
12
PsiBlast_PDB
62.38
31%
-86
- C1 -
4M9A
1
?
A:
[47-383]
----------------------------------------------------------
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
------
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
---------------
39
PsiBlast_CBE
62.18
31%
-84
- C1 -
4M9A
1
?
C:
[47-383]
----------------------------------------------------------
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
---------------
24
PsiBlast_CBE
62.12
31%
-72
- C1 -
1UKW
3
?
B:
[19-374]
------------------
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
IP
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
---------------
63
HHSearch
61.44
22%
-73
- C1 -
1IVH
5
IVD_HUMAN
A:
[13-392]
----
L
S
E
E
Q
R
Q
L
R
Q
T
M
A
K
F
L
Q
E
H
L
A
P
K
A
Q
E
I
D
R
-
S
N
----------------
E
F
K
-
N
L
R
E
F
W
K
Q
-
L
G
N
L
G
V
L
G
I
T
A
---
P
-
V
QYG
G
---
S
G
L
G
Y
--
L
E
H
V
L
V
M
E
-
E
--
I
S
R
A
S
G
A
V
G
L
----
S
Y
G
A
---------
H
S
N
L
C
I
N
--
Q
L
V
R
N
G
N
E
A
Q
K
E
K
Y
L
P
K
L
I
S
G
E
Y
I
G
A
L
A
M
S
E
P
N
-
A
G
S
D
V
V
S
M
K
L
K
A
E
K
--
K
G
N
-
H
Y
I
L
N
G
N
K
F
W
I
T
N
G
P
D
--
A
D
V
--
L
I
V
Y
A
K
T
-
D
L
A
A
V
--
P
A
S
R
G
I
T
A
F
I
V
E
K
G
M
P
G
F
S
T
S
K
K
L
D
K
L
G
M
R
G
---
S
--
N
T
C
E
L
I
F
E
D
C
K
I
P
A
A
N
I
L
G
H
-
E
N
K
G
V
Y
V
L
M
S
G
L
D
L
E
R
L
V
L
A
G
G
P
L
G
L
M
Q
A
V
L
D
H
T
I
P
Y
L
H
V
R
E
A
F
G
Q
K
I
G
H
F
Q
L
M
Q
G
K
M
A
D
M
Y
T
R
L
M
A
C
R
Q
Y
V
Y
N
V
A
K
A
C
D
E
G
H
C
-------------------
T
A
K
D
C
A
G
V
I
L
Y
S
A
E
C
A
T
Q
V
A
L
D
G
I
Q
C
F
G
G
N
G
Y
I
N
D
F
P
M
G
R
F
L
R
D
A
K
L
Y
E
I
G
A
G
T
S
E
V
R
R
L
V
I
G
R
A
F
N
A
D
----------
58
HHSearch
61.40
24%
-73
- C1 -
3OWA
6
?
A:
[33-431]
----
F
S
S
E
H
K
M
I
A
K
T
T
E
D
F
I
V
N
E
V
L
P
E
L
E
Y
L
E
Q
-
H
--------------
E
F
-
D
---
R
S
V
R
L
L
K
E
-
A
G
E
L
G
L
L
G
A
D
V
---
P
-
E
EYG
G
---
I
G
L
D
K
--
V
S
S
A
L
I
A
E
-
K
--
F
S
R
A
G
G
F
A
-
I
----
T
H
G
----
A
-----
H
V
G
I
G
S
L
--
P
I
V
L
F
G
N
E
E
Q
K
K
K
Y
L
P
L
L
A
T
G
E
K
L
A
A
Y
A
L
T
E
P
G
-
S
G
S
D
A
L
G
A
K
T
T
A
R
L
N
A
E
G
T
-
H
Y
V
L
N
G
E
K
Q
W
I
T
N
S
A
F
--
A
D
V
--
F
I
V
Y
A
K
I
-
D
G
--------
E
H
F
S
A
F
I
V
E
K
D
Y
A
G
V
S
T
S
P
E
E
K
K
M
G
I
K
C
---
S
--
S
T
R
T
L
I
L
E
D
A
L
V
P
K
E
N
L
L
G
E
-
I
G
K
G
H
I
I
A
F
N
I
L
N
I
G
R
Y
K
L
G
V
G
T
V
G
S
A
K
R
A
V
E
I
S
A
Q
Y
A
N
Q
R
Q
Q
F
K
Q
P
I
A
R
F
P
L
I
Q
E
K
L
A
N
M
A
A
K
T
Y
A
A
E
S
S
V
Y
R
T
V
G
L
F
E
S
R
M
S
T
LS
E
E
E
V
K
D
G
K
A
V
A
A
S
I
A
E
Y
A
I
E
C
S
L
N
K
V
F
G
S
E
V
L
D
Y
T
V
D
E
G
V
Q
I
H
G
G
Y
G
F
M
A
E
Y
E
I
E
R
M
Y
R
D
S
R
I
N
R
I
F
E
G
T
N
E
I
N
R
L
I
V
P
G
T
F
L
R
K
A
M
K
-------
18
PsiBlast_PDB
61.36
29%
-87
- C1 -
1RX0
7
ACAD8_HUMAN
A:
[58-391]
---------------------------------------------------------------
K
-
A
A
Q
L
G
F
G
G
V
Y
I
---
Q
-
T
---
D
VGG
S
G
L
S
R
--
L
D
T
S
V
I
F
E
-
A
L
A
T
G
C
T
S
T
T
A
Y
I
----
S
I
H
--------------
N
M
C
A
W
M
I
D
S
F
G
N
E
E
Q
R
H
K
F
C
P
P
L
C
T
M
E
K
F
A
S
Y
C
L
T
E
P
G
-
S
G
S
D
A
A
S
L
L
T
S
A
K
K
--
Q
G
D
-
H
Y
I
L
N
G
S
K
A
F
I
S
G
A
G
E
S
--
D
I
--
Y
V
V
M
C
R
T
-
G
---
G
--
P
G
P
K
G
I
S
C
I
V
V
E
K
G
T
P
G
L
S
F
G
K
K
E
K
K
V
G
W
N
S
Q
--
P
--
T
R
A
V
I
-
F
E
D
C
A
V
P
V
A
N
R
I
G
S
-
E
G
Q
G
F
L
I
A
V
R
G
L
N
G
G
R
I
N
I
A
S
C
S
L
G
A
A
H
A
S
V
I
L
T
R
D
H
L
N
V
R
K
Q
F
G
E
P
L
A
S
N
Q
Y
L
Q
F
T
L
A
D
M
A
T
R
L
V
A
A
R
L
M
V
R
N
A
A
V
A
L
-
Q
E
E
R
-----------------
K
D
A
V
A
L
C
S
M
A
K
L
F
A
T
D
E
C
F
A
I
C
N
Q
A
L
Q
M
H
G
G
Y
G
Y
L
K
D
Y
A
V
Q
Q
Y
V
R
D
S
R
V
H
Q
I
L
E
G
S
N
E
V
M
R
I
L
I
S
R
S
L
L
------------
54
HHSearch
59.70
23%
-73
* C1 *
4IRN
3
?
A:
[40-414]
----
W
N
S
Q
Q
I
Q
F
R
K
K
V
I
Q
F
A
Q
Q
S
L
I
S
D
L
I
K
N
D
K
-
E
------------------
E
I
-
F
N
R
D
A
W
Q
K
-
C
S
E
F
G
V
H
G
W
P
I
---
P
-
A
RYG
G
---
Q
E
L
D
I
--
L
T
T
A
Y
A
L
Q
-
G
--
L
G
Y
G
C
K
D
N
G
L
----
I
F
A
M
--
N
A
-----
H
I
W
A
C
E
M
--
P
L
L
T
F
G
T
E
E
Q
K
E
K
Y
L
P
L
L
C
R
G
G
W
I
A
S
H
A
A
T
E
P
Q
-
A
G
S
D
I
Y
S
L
K
T
T
A
Q
K
--
D
G
D
-
K
Y
I
L
N
G
Y
K
H
Y
V
T
N
G
T
I
--
A
D
L
--
F
I
I
F
A
T
I
-
D
P
S
----
L
G
K
E
G
L
T
T
F
M
I
E
K
D
T
P
G
L
I
L
S
K
P
I
S
K
M
G
M
R
T
---
A
--
E
V
P
E
L
R
L
E
N
C
E
V
S
A
A
N
R
L
G
E
-
E
G
T
G
L
A
I
F
N
H
S
M
E
W
E
R
G
F
I
L
A
A
A
V
G
T
M
E
R
L
L
E
Q
S
I
R
Y
A
R
S
H
K
Q
F
G
Q
A
I
G
K
F
Q
L
V
A
N
K
L
V
E
M
K
L
R
L
E
N
A
K
A
Y
L
Y
K
V
A
W
M
K
E
N
K
Q
-------------------
M
A
L
L
E
A
S
M
A
N
L
Y
I
S
E
A
W
V
Q
S
C
L
E
A
I
E
I
H
G
A
Y
G
Y
L
T
N
T
E
L
E
R
E
L
R
D
A
I
A
S
K
F
Y
S
G
T
S
E
I
Q
R
V
V
I
A
K
F
L
-------------
73
Fugue
59.43
28%
-72
- C1 -
1BUC
3
ACDS_MEGEL
A:
[1-383]
MDFN
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
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
-----------