@TOME V2.2
(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 : S47A1_HUMAN: (2015-12-11 )
MEAPEEPAPVRGGPEATLEVRGSRCLRLSAFREELRALLVLAGPAFLVQLMVFLISFISSVFCGHLGKLELDAVTLAIAVINVTGVSVGFGLSSACDTLISQTYGSQNLKHVGVILQRSALVLLLCCFPCWALFLNTQHILLLFRQDPDVSRLTQTYVTIFIPALPATFLYMLQVKYLLNQGIVLPQIVTGVAANLVNALANYLFLHQLHLGVIGSALANLISQYTLALLLFLYILGKKLHQATWGGWSLECLQDWASFLRLAIPSMLMLCMEWWAYEVGSFLSGILGMVELGAQSIVYELAIIVYMVPAGFSVAASVRVGNALGAGDMEQARKSSTVSLLITVLFAVAFSVLLLSCKDHVGYIFTTDRDIINLVAQVVPIYAVSHLFEALACTSGGVLRGSGNQKVGAIVNTIGYYVVGLPIGIALMFATTLGVMGLWSGIIICTVFQAVCFLGFIIQLNWKKACQQAQVHANLKVNNVPRSGNSALPQDPLHPGCPENLEGILTNDVGKTGEPQSDQQMRQEEPLPEHPQDGAKLSRKQLVLRRGLLLLGVFLILLVGILVRFYVRIQ
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.......490.......500.......510.......520.......530.......540.......550.......560.......570
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MEAPEEPAPVRGGPE
A
T
L
E
VRGSR
C
L
R
L
S
A
F
R
E
E
L
R
A
L
L
VLA
G
P
A
F
L
V
Q
L
M
V
F
L
I
S
F
I
S
S
V
F
C
GHLGK
L
E
L
D
A
V
T
L
---
A
I
A
V
I
N
V
T
G
V
S
VGFG
L
S
S
A
C
D
T
L
I
S
Q
TYGSQ
N
L
K
H
V
G
V
I
L
Q
R
-
S
A
L
V
-
L
L
L
C
C
F
P
C
---
W
A
L
-
F
LNT
Q
H
I
L
L
L
F
RQDP
D
V
S
R
L
T
Q
T
Y
V
T
I
F
IP-A
L
P
A
T
F
L
Y
M
L
Q
V
K
Y
L
--
L
NQGI
V
L
P
Q
I
V
--
T
G
V
A
A
N
L
V
N
A
L
A
N
Y
L
F
L
H
----
Q
L
H
----
L
G
V
I
G
S
A
L
A
N
L
I
S
Q
Y
T
L
A
L
L
L
--
F
L
Y
I
L
-
G
K
K
--
L
H
-Q--ATWGG
W
--
S
L
E
-------
C
L
Q
D
W
A
S
F
---
L
R
L
A
I
P
S
M
L
-
M
L
C
M
E
W
W
A
Y
E
V
G
S
-
F
L
S
G
I
-
L
G
M
V
E
L
G
A
Q
S
I
-
V
Y
E
L
A
I
I
V
Y
M---VPA-G
F
S
V
A
A
S
V
R
VGNALGA
G
D
M
E
Q
A
RKS
S
T
V
S
L
L
I
T
V
L
F
A
V
A
F
S
V
L
L
L
SCKDH
V
G
Y
I
F
TT
D
R
D
I
I
---
N
L
-
V
A
Q
V
V
P
---
I
Y
A
V
S
H
L
F
E
A
L
A
CTSG
G
V
L
RGSGNQ
K
V
G
----
A
I
V
N
T
I
G
Y
Y
V
V
G
L
P
I
G
I
A
L
-----
M
F
A
-----
T
T
L
G
V
M
G
L
W
S
G
I
I
I
C
T
V
F
Q
A
V
C
F
L
G
F
I
I
QL
N
W
-
K
K
A
C
Q
Q
A
Q
V
H
A
N
L
K
VNNVPRSGNSALPQDPLHPGC
P
E
N
L
E
G
I
L
TNDVGKTGEPQ
S
D
Q
Q
M
R
QEEPLPEHPQ
D
G
A
K
L
S
R
K
Q
L
V
L
R
R
G
L
L
L
L
G
V
F
L
I
L
L
V
G
I
L
V
R
F
Y
V
R
IQ
1
PsiBlast_PDB
88.46
24%
-119
- C1 -
3MKT
-
?
A:
[8-461]
------------------------------
Y
K
K
E
A
S
N
L
I
K
L
A
T
P
V
L
I
A
S
V
A
Q
T
G
M
G
F
V
D
T
I
M
A
G
G
V
S
A
I
D
M
A
A
V
S
I
---
A
-
A
S
I
W
L
P
S
I
L
F
G
V
G
L
L
M
A
L
V
P
V
V
A
Q
L
N
G
A
G
R
Q
H
K
I
P
F
E
V
H
Q
-
G
L
I
L
-
A
L
L
V
S
V
P
I
---
I
A
V
-
L
F
Q
T
Q
F
I
I
R
F
M
D
V
E
E
A
M
A
T
K
T
V
G
Y
M
H
A
V
I
F
-
A
V
P
A
Y
L
L
F
Q
A
L
R
S
F
T
--
D
G
M
S
L
T
K
P
A
M
V
--
I
G
F
I
G
L
L
L
N
I
P
L
N
W
I
F
V
Y
GKFG
A
P
E
----
L
G
G
V
G
C
G
V
A
T
A
I
V
Y
W
I
M
L
L
L
L
--
L
F
Y
I
V
-
T
S
K
RL
A
H
-
V
--
K
V
F
E
T
F
--
H
K
P
-------
Q
P
K
E
L
I
R
L
---
F
R
L
G
F
P
V
A
A
-
A
L
F
F
E
V
T
L
F
A
V
V
A
-
L
L
V
A
P
-
L
G
S
T
V
V
A
A
H
Q
V
-
A
L
N
F
S
S
L
V
F
M
---
F
P
M
-
S
I
G
A
A
V
S
I
R
V
G
H
K
L
G
E
Q
D
T
K
G
A
A
I
A
A
N
V
G
L
M
T
G
L
A
T
A
C
I
T
A
L
L
T
V
L
F
R
E
Q
I
A
L
L
Y
T
E
N
Q
V
V
V
---
A
L
-
A
M
Q
L
L
L
---
F
A
A
I
Y
Q
C
M
D
A
V
Q
V
V
A
A
G
S
L
R
G
Y
K
D
M
T
A
I
----
F
H
R
T
F
I
S
Y
W
V
L
G
L
P
T
G
Y
I
L
G
M
TNW
L
T
E
-----
Q
P
L
G
A
K
G
F
W
L
G
F
I
I
G
-
L
S
A
A
A
L
M
L
G
--
Q
R
L
Y
W
L
Q
K
Q
S
D
D
V
Q
L
H
L
A
A
K
----------------------------------------------------------------------------------------------
2
PsiBlast_PDB
85.64
24%
-116
- C1 -
3MKU
-
?
A:
[7-460]
------------------------------
Y
K
K
E
A
S
N
L
I
K
L
A
T
P
V
L
I
A
S
V
A
Q
T
G
M
G
F
V
D
T
I
M
A
G
G
V
S
A
I
D
M
A
A
V
S
I
---
A
-
A
S
I
W
L
P
S
I
L
F
G
V
G
L
L
M
A
L
V
P
V
V
A
Q
L
N
G
A
G
R
Q
H
K
I
P
F
E
V
H
Q
-
G
L
I
L
-
A
L
L
V
S
V
P
I
---
I
A
V
-
L
F
Q
T
Q
F
I
I
R
F
M
D
V
E
E
A
M
A
T
K
T
V
G
Y
M
H
A
V
I
F
-
A
V
P
A
Y
L
L
F
Q
A
L
R
S
F
T
--
D
G
M
S
L
T
K
P
A
M
V
--
I
G
F
I
G
L
L
L
N
I
P
L
N
W
I
F
V
Y
GKFG
A
P
E
----
L
G
G
V
G
C
G
V
A
T
A
I
V
Y
W
I
M
L
L
L
L
--
L
F
Y
I
V
-
T
S
K
RL
A
H
-
V
--
K
V
F
E
T
F
--
H
K
P
-------
Q
P
K
E
L
I
R
L
---
F
R
L
G
F
P
V
A
A
-
A
L
F
F
E
V
T
L
F
A
V
V
A
-
L
L
V
A
P
-
L
G
S
T
V
V
A
A
H
Q
V
-
A
L
N
F
S
S
L
V
F
M
---
F
P
M
-
S
I
G
A
A
V
S
I
R
V
G
H
K
L
G
E
Q
D
T
K
G
A
A
I
A
A
N
V
G
L
M
T
G
L
A
T
A
C
I
T
A
L
L
T
V
L
F
R
E
Q
I
A
L
L
Y
T
E
N
Q
V
V
V
---
A
L
-
A
M
Q
L
L
L
---
F
A
A
I
Y
Q
C
M
D
A
V
Q
V
V
A
A
G
S
L
R
G
Y
K
D
M
T
A
I
----
F
H
R
T
F
I
S
Y
W
V
L
G
L
P
T
G
Y
I
L
G
M
TNW
L
T
E
-----
Q
P
L
G
A
K
G
F
W
L
G
F
I
I
G
-
L
S
A
A
A
L
M
L
G
--
Q
R
L
Y
W
L
Q
K
Q
S
D
D
V
Q
L
H
L
A
A
K
----------------------------------------------------------------------------------------------
19
Fugue
83.80
21%
-118
- C1 -
3MKT
-
?
A:
[2-461]
------------------------
E
N
S
V
H
R
Y
K
K
E
A
S
N
L
I
K
L
A
T
P
V
L
I
A
S
V
A
Q
T
G
M
G
F
V
D
T
I
M
A
G
G
V
S
A
I
D
M
A
A
V
S
I
---
A
A
S
I
W
L
P
S
I
L
F
G
V
G
L
L
M
A
L
V
P
V
-
V
A
Q
L
N
G
A
G
R
Q
H
K
I
P
F
E
V
H
Q
-
G
L
I
L
-
A
L
L
V
S
V
P
I
---
I
A
V
-
L
F
Q
T
Q
F
I
I
R
F
M
D
V
E
E
A
M
A
T
K
T
V
G
Y
M
H
A
V
I
F
-
A
V
P
A
Y
L
L
F
Q
A
L
R
S
F
T
--
D
G
M
S
L
T
K
P
A
M
V
--
I
G
F
I
G
L
L
L
N
I
P
L
N
W
I
F
V
Y
----
G
K
F
G
A
P
E
L
G
G
V
G
C
G
V
A
T
A
I
V
Y
W
I
M
L
L
L
L
--
L
F
Y
I
V
-
T
S
K
--
R
L
-
A
HV
K
V
F
E
T
F
--
H
K
P
-------
Q
P
K
E
L
I
R
L
---
F
R
L
G
F
P
V
A
A
-
A
L
F
F
E
V
T
L
F
A
V
V
A
-
L
L
V
A
P
-
L
G
S
T
V
V
A
A
H
Q
V
-
A
L
N
F
S
S
L
V
F
M
---
F
P
M
-
S
I
G
A
A
V
S
I
R
V
G
H
K
L
G
E
Q
D
T
K
G
A
A
I
A
A
N
V
G
L
M
T
G
L
A
T
A
C
I
T
A
L
L
T
V
L
F
R
E
Q
I
A
L
L
Y
T
E
N
Q
V
V
V
---
A
L
-
A
M
Q
L
L
L
---
F
A
A
I
Y
Q
C
M
D
A
V
Q
V
V
A
A
G
S
L
R
G
Y
K
D
M
T
A
I
----
F
H
R
T
F
I
S
Y
W
V
L
G
L
P
T
G
Y
I
L
-----
G
M
T
NWLTE
Q
P
L
G
A
K
G
F
W
L
G
F
I
I
G
L
S
A
A
A
L
M
L
G
---------------------
Q
R
L
Y
W
L
Q
K
Q
S
D
D
V
Q
L
H
L
A
A
K
----------------------------------------------------------------------------
17
HHSearch
75.67
16%
-136
* C1 *
3W4T
9
?
A:
[14-446]
-------------------------------
G
D
P
K
K
A
I
V
R
L
S
I
A
M
M
I
G
M
S
V
Q
T
L
Y
N
L
A
D
G
I
W
V
S
G
L
G
P
E
S
L
A
A
V
G
L
---
F
F
P
V
F
M
G
I
-
I
A
L
A
A
G
L
G
V
G
T
S
S
A
I
A
R
R
I
G
A
R
D
K
E
G
A
D
N
V
A
V
H
-
S
L
I
L
-
S
L
I
L
G
V
T
I
---
T
I
T
M
L
P
A
I
D
S
L
F
R
S
M
G
A
K
G
E
A
V
E
L
A
I
E
Y
A
R
V
L
L
A
-
G
A
F
I
I
V
F
N
N
V
G
N
G
I
L
--
R
G
E
G
D
A
N
R
A
M
L
--
A
M
V
L
G
S
G
L
N
I
V
L
D
P
I
F
I
Y
----
T
L
G
----
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
I
--
A
Y
W
L
F
V
K
R
D
--
T
Y
V
D
--
I
T
L
R
D
---
F
S
P
-------
S
R
E
I
L
K
D
I
---
L
R
V
G
L
P
S
S
L
-
S
Q
L
S
M
S
I
A
M
F
F
L
N
-
S
V
A
I
T
A
G
G
E
N
G
V
A
V
F
T
S
-
A
W
R
I
T
M
L
G
I
V
---
P
I
L
-
G
M
A
A
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
E
T
A
Y
L
Y
A
I
K
I
A
F
M
I
E
L
A
V
V
A
F
I
M
L
F
A
P
Q
V
A
Y
L
F
T
Y
-----VI
K
G
D
-
L
I
S
A
L
R
---
T
L
P
V
F
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
S
----
L
I
L
T
I
F
R
T
L
V
M
Q
V
G
F
A
Y
I
F
-----
V
H
Y
-----
T
T
L
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
G
R
M
R
I
S
-
A
L
K
K
T
-------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
74.60
25%
-115
- C1 -
4HUN
1
?
A:
[4-436]
-------------------------
F
S
F
S
V
F
L
K
E
I
R
L
L
T
A
L
A
L
P
M
L
L
A
Q
V
A
Q
V
G
I
G
F
V
D
T
V
M
A
G
G
A
G
K
E
D
L
A
A
V
A
L
G
S
S
A
F
A
T
V
Y
I
T
F
M
----
G
I
M
A
A
L
N
P
M
I
A
Q
L
Y
G
A
G
K
T
G
E
A
G
E
T
G
R
Q
-
G
I
W
F
G
L
I
L
G
I
F
G
M
I
LM
W
A
A
-
I
T
P
F
R
N
W
L
T
L
----
S
D
Y
V
E
G
T
M
A
Q
Y
M
L
F
T
S
L
A
M
P
A
A
M
V
H
R
A
L
H
A
Y
A
SS
L
N
R
----
P
R
L
I
ML
V
S
F
A
A
F
V
L
N
V
P
L
N
Y
I
F
V
Y
----
G
K
F
GMPA
L
G
G
A
G
C
G
V
A
T
M
A
V
F
W
F
S
A
L
A
L
--
W
I
Y
I
A
-
K
E
K
--
F
F
-
R
---
P
F
G
L
T
--
A
K
F
-------
G
K
P
D
W
A
V
F
KQI
W
K
I
G
A
P
I
G
L
-
S
Y
F
L
E
A
S
A
F
S
F
I
V
-
F
L
I
A
P
-
F
G
E
D
Y
V
A
A
Q
Q
V
-
G
I
S
L
S
G
I
L
Y
M
---
I
P
Q
-
S
V
G
S
A
G
T
V
R
I
G
F
S
L
G
R
R
E
F
S
R
A
R
Y
I
S
G
V
S
L
V
S
G
W
V
L
A
V
I
T
V
L
S
L
V
L
F
R
S
P
L
A
S
M
Y
N
D
D
P
A
V
L
---
S
I
-
A
S
T
V
L
L
---
F
A
G
L
F
Q
P
A
D
F
T
Q
C
I
A
S
Y
A
L
R
G
Y
K
V
T
K
V
P
----
M
F
I
H
A
A
A
F
W
G
C
G
L
L
P
G
Y
L
L
-----
A
Y
R
-----
F
D
M
G
I
Y
G
F
W
T
A
L
I
A
S
L
T
I
A
A
V
A
L
V
W
C
L
E
K
Y
S
M
-
E
L
V
K
S
H
K
A
V
S
S
G
L
-----------------------------------------------------------------------------------------------
3
PsiBlast_PDB
73.66
25%
-112
- C1 -
4HUK
1
?
A:
[4-436]
-------------------------
F
S
F
S
V
F
L
K
E
I
R
L
L
T
A
L
A
L
P
M
L
L
A
Q
V
A
Q
V
G
I
G
F
V
D
T
V
M
A
G
G
A
G
K
E
D
L
A
A
V
A
L
G
S
S
A
F
A
T
V
Y
I
T
F
M
----
G
I
M
A
A
L
N
P
M
I
A
Q
L
Y
G
A
G
K
T
G
E
A
G
E
T
G
R
Q
-
G
I
W
F
G
L
I
L
G
I
F
G
M
I
L
M
W
A
A
-
I
T
P
F
R
N
W
L
T
L
----
S
D
Y
V
E
G
T
M
A
Q
Y
M
L
F
T
S
L
A
M
P
A
A
M
V
H
R
A
L
H
A
Y
A
S
S
L
N
R
----
P
R
L
I
M
L
V
S
F
A
A
F
V
L
N
V
P
L
N
Y
I
F
V
Y
----
G
K
F
GMPA
L
G
G
A
G
C
G
V
A
T
M
A
V
F
W
F
S
A
L
A
L
--
W
I
Y
I
A
-
K
E
K
--
F
F
-
R
---
P
F
G
L
T
--
A
K
F
-------
G
K
P
D
W
A
V
F
KQI
W
K
I
G
A
P
I
G
L
-
S
Y
F
L
E
A
S
A
F
S
F
I
V
-
F
L
I
A
P
-
F
G
E
D
Y
V
A
A
Q
Q
V
-
G
I
S
L
S
G
I
L
Y
M
---
I
P
Q
-
S
V
G
S
A
G
T
V
R
I
G
F
S
L
G
R
R
E
F
S
R
A
R
Y
I
S
G
V
S
L
V
S
G
W
V
L
A
V
I
T
V
L
S
L
V
L
F
R
S
P
L
A
S
M
Y
N
D
D
P
A
V
L
---
S
I
-
A
S
T
V
L
L
---
F
A
G
L
F
Q
P
A
D
F
T
Q
C
I
A
S
Y
A
L
R
G
Y
K
V
T
K
V
P
----
M
F
I
H
A
A
A
F
W
G
C
G
L
L
P
G
Y
L
L
-----
A
Y
R
-----
F
D
M
G
I
Y
G
F
W
T
A
L
I
A
S
L
T
I
A
A
V
A
L
V
W
C
L
E
K
Y
S
M
-
E
L
V
K
S
H
K
A
V
S
S
G
L
-----------------------------------------------------------------------------------------------
4
PsiBlast_PDB
73.63
25%
-110
- C1 -
4HUL
-
?
A:
[4-436]
-------------------------
F
S
F
S
V
F
L
K
E
I
R
L
L
T
A
L
A
L
P
M
L
L
A
Q
V
A
Q
V
G
I
G
F
V
D
T
V
M
A
G
G
A
G
K
E
D
L
A
A
V
A
L
G
S
S
A
F
A
T
V
Y
I
T
F
M
----
G
I
M
A
A
L
N
P
M
I
A
Q
L
Y
G
A
G
K
T
G
E
A
G
E
T
G
R
Q
-
G
I
W
F
G
L
I
L
G
I
F
G
M
I
L
M
W
A
A
-
I
T
P
F
R
N
W
L
T
L
----
S
D
Y
V
E
G
T
M
A
Q
Y
M
L
F
T
S
L
A
M
P
A
A
M
V
H
R
A
L
H
A
Y
A
SS
L
N
R
----
P
R
L
I
M
L
V
S
F
A
A
F
V
L
N
V
P
L
N
Y
I
F
V
Y
----
G
K
F
GMPA
L
G
G
A
G
C
G
V
A
T
M
A
V
F
W
F
S
A
L
A
L
--
W
I
Y
I
A
-
K
E
K
--
F
F
-
R
---
P
F
G
L
T
--
A
K
F
-------
G
K
P
D
W
A
V
F
KQI
W
K
I
G
A
P
I
G
L
-
S
Y
F
L
E
A
S
A
F
S
F
I
V
-
F
L
I
A
P
-
F
G
E
D
Y
V
A
A
Q
Q
V
-
G
I
S
L
S
G
I
L
Y
M
---
I
P
Q
-
S
V
G
S
A
G
T
V
R
I
G
F
S
L
G
R
R
E
F
S
R
A
R
Y
I
S
G
V
S
L
V
S
G
W
V
L
A
V
I
T
V
L
S
L
V
L
F
R
S
P
L
A
S
M
Y
N
D
D
P
A
V
L
---
S
I
-
A
S
T
V
L
L
---
F
A
G
L
F
Q
P
A
D
F
T
Q
C
I
A
S
Y
A
L
R
G
Y
K
V
T
K
V
P
----
M
F
I
H
A
A
A
F
W
G
C
G
L
L
P
G
Y
L
L
-----
A
Y
R
-----
F
D
M
G
I
Y
G
F
W
T
A
L
I
A
S
L
T
I
A
A
V
A
L
V
W
C
L
E
K
Y
S
M
-
E
L
V
K
S
H
K
A
V
S
S
G
L
-----------------------------------------------------------------------------------------------
5
PsiBlast_PDB
72.62
25%
-111
- C1 -
4HUM
1
?
A:
[4-436]
-------------------------
F
S
F
S
V
F
L
K
E
I
R
L
L
T
A
L
A
L
P
M
L
L
A
Q
V
A
Q
V
G
I
G
F
V
D
T
V
M
A
G
G
A
G
K
E
D
L
A
A
V
A
L
G
S
S
A
F
A
T
V
Y
I
T
F
M
----
G
I
M
A
A
L
N
P
M
I
A
Q
L
Y
G
A
G
K
T
G
E
A
G
E
T
G
R
Q
-
G
I
W
F
G
L
I
L
G
I
F
G
M
I
L
M
W
A
A
-
I
T
P
F
R
N
W
L
T
L
----
S
D
Y
V
E
G
T
M
A
Q
Y
M
L
F
T
S
L
A
M
P
A
A
M
V
H
R
A
L
H
A
Y
A
SS
L
N
R
----
P
R
L
I
ML
V
S
F
A
A
F
V
L
N
V
P
L
N
Y
I
F
V
Y
----
G
K
F
GMPA
L
G
G
A
G
C
G
V
A
T
M
A
V
F
W
F
S
A
L
A
L
--
W
I
Y
I
A
-
K
E
K
--
F
F
-
R
---
P
F
G
L
T
--
A
K
F
-------
G
K
P
D
W
A
V
F
KQI
W
K
I
G
A
P
I
G
L
-
S
Y
F
L
E
A
S
A
F
S
F
I
V
-
F
L
I
A
P
-
F
G
E
D
Y
V
A
A
Q
Q
V
-
G
I
S
L
S
G
I
L
Y
M
---
I
P
Q
-
S
V
G
S
A
G
T
V
R
I
G
F
S
L
G
R
R
E
F
S
R
A
R
Y
I
S
G
V
S
L
V
S
G
W
V
L
A
V
I
T
V
L
S
L
V
L
F
R
S
P
L
A
S
M
Y
N
D
D
P
A
V
L
---
S
I
-
A
S
T
V
L
L
---
F
A
G
L
F
Q
P
A
D
F
T
Q
C
I
A
S
Y
A
L
R
G
Y
K
V
T
K
V
P
----
M
F
I
H
A
A
A
F
W
G
C
G
L
L
P
G
Y
L
L
-----
A
Y
R
-----
F
D
M
G
I
Y
G
F
W
T
A
L
I
A
S
L
T
I
A
A
V
A
L
V
W
C
L
E
K
Y
S
M
-
E
L
V
K
S
H
K
A
V
S
S
G
L
-----------------------------------------------------------------------------------------------
20
Fugue
70.59
19%
-120
- C1 -
4LZ6
-
?
A:
[1-446]
----
Q
K
Q
Q
S
E
R
L
G
T
E
A
I
P
-----------------
K
L
L
R
S
L
S
I
P
A
M
I
G
M
F
V
M
A
L
Y
N
V
V
D
T
I
F
I
S
Y
A
V
G
I
E
G
V
A
G
V
T
---
I
A
F
P
I
M
M
I
M
M
S
M
A
G
A
L
G
I
G
G
A
S
V
I
S
R
R
L
G
E
R
R
G
E
E
A
N
Q
V
F
G
N
I
L
T
V
I
-
L
V
L
S
V
I
G
F
---
I
S
A
-
F
T
L
L
G
P
A
L
Q
L
F
G
A
T
S
V
T
Q
G
Y
A
T
D
Y
L
F
P
I
L
L
-
G
S
I
F
F
F
F
A
F
A
A
N
N
I
I
--
R
S
E
G
N
A
T
F
A
M
V
--
T
M
I
V
P
A
V
L
N
I
L
L
D
V
L
F
I
F
----
G
L
N
----
M
G
V
L
G
A
S
I
A
T
V
I
A
Q
A
S
V
T
G
L
V
--
L
R
Y
F
L
T
G
K
S
--
T
L
-
S
--
L
H
W
S
D
L
--
R
M
K
GSV
I
K
E
V
C
L
V
G
L
P
A
F
---
V
Q
Q
S
S
A
S
L
M
-
M
I
A
I
N
S
M
L
L
R
F
G
S
-
D
F
Y
--------
V
G
V
F
G
L
-
V
Q
R
I
M
M
F
V
M
M
---
P
M
M
-
G
I
M
Q
A
M
Q
P
I
V
G
Y
N
Y
G
A
K
Q
Y
S
R
L
R
E
T
V
M
L
G
F
K
V
A
T
I
F
S
I
G
I
F
A
L
L
M
L
F
P
E
A
L
L
R
V
F
T
A
D
R
E
V
I
---
Q
A
-
G
V
S
A
M
H
---
I
L
F
C
V
T
F
L
I
G
A
Q
I
V
A
G
G
L
Y
Q
S
L
G
K
P
K
Q
A
----
L
I
L
S
L
S
R
Q
I
I
--
F
L
I
P
L
V
L
-----
I
L
P
-----
H
I
F
G
L
S
G
V
W
W
A
F
P
I
A
D
V
L
S
F
I
L
T
V
V
L
L
Y
R
-------------------------------------------------------------------------------
D
R
N
V
F
F
L
K
-------------------------
8
PsiBlast_PDB
63.14
23%
-129
- C- -
4LZ9
-
?
A:
[168-418]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
V
--
T
M
I
V
P
A
V
L
N
I
L
L
D
V
L
F
I
F
----
G
L
N
----
M
G
V
L
G
A
S
I
A
T
V
I
A
Q
A
S
V
T
G
L
V
--
L
R
Y
F
L
T
G
K
S
--
T
L
-
S
--
L
H
W
S
D
L
--
R
M
K
GSV
I
K
E
V
C
L
V
G
L
P
A
F
---
V
Q
Q
S
S
A
S
L
M
-
M
I
A
I
N
S
M
L
L
R
F
G
S
D
F
Y
V
G
V
-
F
G
L
V
Q
---------
R
I
M
M
F
V
M
M
---
P
M
M
-
G
I
M
Q
A
M
Q
P
I
V
G
Y
N
Y
G
A
K
Q
Y
S
R
L
R
E
T
V
M
L
G
F
K
V
A
T
I
F
S
I
G
I
F
A
L
L
M
L
F
P
E
A
L
L
R
V
F
T
A
D
R
E
V
I
---
Q
A
G
V
S
A
M
H
I
---
L
F
C
V
T
F
L
I
G
A
-
Q
I
V
A
G
G
L
Y
Q
S
L
G
K
P
K
Q
A
----
L
I
L
S
L
S
R
Q
I
I
F
L
I
P
--
L
V
L
-----
I
L
P
-----
H
I
F
G
L
S
G
V
W
W
A
F
P
I
A
D
V
L
S
F
I
L
T
V
V
L
L
Y
R
D
R
N
-
V
F
F
L
K
-------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
58.45
23%
-127
- C1 -
4MLB
15
?
A:
[186-446]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
N
I
V
L
D
P
I
F
I
Y
----
T
L
G
----
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
I
A
Y
W
L
F
V
K
-
R
D
T
--
Y
V
-
D
--
I
T
L
R
D
F
SP
S
R
E
-------
I
L
K
D
---
I
---
L
R
V
G
L
P
S
S
L
S
Q
L
S
M
S
I
A
M
F
F
L
N
S
-
V
A
I
T
A
-
G
G
E
N
G
V
A
V
F
T
S
-
A
W
R
I
T
M
L
G
I
V
---
P
I
L
-
G
M
A
T
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
E
T
A
Y
L
Y
A
I
K
I
A
F
M
I
E
L
A
V
V
A
F
I
M
L
F
A
P
Q
V
A
Y
L
F
T
Y
S
E
S
---------
A
Q
V
I
K
G
D
L
I
S
A
L
R
T
L
P
V
F
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
S
L
I
L
T
I
-
F
R
T
L
V
M
Q
V
G
F
A
Y
-----
I
F
V
H
Y---
T
T
L
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
G
R
M
R
I
S
-
A
L
K
K
T
S
A
-----------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
55.66
24%
-121
- C1 -
3WBN
6
?
A:
[180-439]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
L
D
P
I
F
I
Y
----
T
L
G
----
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
I
A
Y
W
L
F
V
K
-
R
D
T
--
Y
V
-
D
--
I
T
L
R
D
F
SP
S
R
E
-------
I
L
K
D
---
I
---
L
R
V
G
L
P
S
-----
S
L
S
Q
L
S
M
S
I
A
M
-
F
F
L
N
S
-
V
A
I
T
A
G
G
E
N
G
V
A
V
F
T
S
A
W
R
I
T
M
L
G
I
V
P
I
L
G
M
A
A
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
E
T
A
Y
L
Y
A
I
K
I
A
F
M
I
E
L
A
V
V
A
F
I
M
L
F
A
P
Q
V
A
Y
L
F
T
Y
S
E
S
---------
A
Q
V
I
K
G
D
L
I
S
A
L
R
T
L
P
V
F
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
S
L
I
L
T
I
-
F
R
T
L
V
M
Q
V
G
F
A
Y
-----
I
F
V
H
Y
---
T
T
L
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
G
R
M
R
I
S
-
A
L
K
K
T
-------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
54.96
24%
-121
- C1 -
3W4T
7
?
A:
[180-439]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
L
D
P
I
F
I
Y
----
T
L
G
----
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
I
A
Y
W
L
F
V
K
-
R
D
T
--
Y
V
-
D
--
I
T
L
R
D
F
SP
S
R
E
-------
I
L
K
D
---
I
---
L
R
V
G
L
P
S
-----
S
L
S
Q
L
S
M
S
I
A
M
-
F
F
L
N
S
-
V
A
I
T
A
G
G
E
N
G
V
A
V
F
T
S
A
W
R
I
T
M
L
G
I
V
P
I
L
G
M
A
A
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
E
T
A
Y
L
Y
A
I
K
I
A
F
M
I
E
L
A
V
V
A
F
I
M
L
F
A
P
Q
V
A
Y
L
F
T
Y
--------------
V
I
K
G
D
L
I
S
A
L
R
T
L
P
V
F
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
S
L
I
L
T
I
-
F
R
T
L
V
M
Q
V
G
F
A
Y
-----
I
F
V
H
Y
---
T
T
L
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
G
R
M
R
I
S
-
A
L
K
K
T
-------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
53.86
24%
-118
- C1 -
3VVN
7
?
A:
[180-439]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
L
D
P
I
F
I
Y
----
T
L
G
----
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
I
A
Y
W
L
F
V
K
-
R
D
T
--
Y
V
-
D
--
I
T
L
R
D
F
SP
S
R
E
-------
I
L
K
D
---
I
---
L
R
V
G
L
P
S
-----
S
L
S
Q
L
S
M
S
I
A
M
-
F
F
L
N
S
-
V
A
I
T
A
G
G
E
N
G
V
A
V
F
T
S
A
W
R
I
T
M
L
G
I
V
P
I
L
G
M
A
A
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
E
T
A
Y
L
Y
A
I
K
I
A
F
M
I
E
L
A
V
V
A
F
I
M
L
F
A
P
Q
V
A
Y
L
F
T
-------------
A
Q
V
I
K
G
D
L
I
S
A
L
R
T
L
P
V
F
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
S
L
I
L
T
I
-
F
R
T
L
V
M
Q
V
G
F
A
Y
-----
I
F
V
HY---
T
T
L
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
G
R
M
R
I
S
-
A
L
K
K
T
-------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
53.07
24%
-118
- C1 -
3VVS
11
?
A:
[180-439]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
L
D
P
I
F
I
Y
----
T
L
G
----
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
I
A
Y
W
L
F
V
K
-
R
D
T
--
Y
V
-
D
--
I
T
L
R
D
F
S
P
S
R
E
-------
I
L
K
D
---
I
---
L
R
V
G
L
P
S
-----
S
L
S
Q
L
S
M
S
I
A
M
-
F
F
L
N
S
-
V
A
I
T
A
G
G
E
N
G
V
A
V
F
T
S
A
W
R
I
T
M
L
GI
V
P
I
L
G
M
A
A
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
E
T
A
Y
L
Y
A
I
K
I
A
F
M
I
E
L
A
V
V
A
F
I
M
L
F
A
P
Q
V
A
Y
L
F
T
----------------
I
K
G
D
L
I
S
A
L
R
T
L
P
V
F
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
S
L
I
L
T
I
-
F
R
T
L
V
M
Q
V
G
F
A
Y
-----
I
F
V
HY---
T
T
L
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
G
R
M
R
I
S
-
A
L
K
K
T
-------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
52.44
24%
-119
- C1 -
3VVR
4
?
A:
[180-439]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
L
D
P
I
F
I
Y
----
T
L
G
----
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
I
A
Y
W
L
F
V
K
-
R
D
T
--
Y
V
-
D
--
I
T
L
R
D
F
SP
S
R
E
-------
I
L
K
D
---
I
---
L
R
V
G
L
P
S
-----
S
L
S
Q
L
S
M
S
I
A
M
-
F
F
L
N
S
-
V
A
I
T
A
G
-
E
N
G
V
A
V
F
T
S
A
W
R
I
T
M
L
GI
V
P
I
L
G
M
A
A
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
E
T
A
Y
L
Y
A
I
K
I
A
F
M
I
E
L
A
V
V
A
F
I
M
L
F
A
P
Q
V
A
Y
L
F
T
Y
---------------
I
K
G
D
L
I
S
A
L
R
T
L
P
V
F
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
S
L
I
L
T
I
-
F
R
T
L
V
M
Q
V
G
F
A
Y
-----
I
F
V
H-------
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
G
R
M
R
I
S
-
A
L
K
K
T
-------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
52.05
24%
-121
- C1 -
3VVO
9
?
A:
[180-439]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
L
D
P
I
F
I
Y
----
T
L
G
----
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
I
A
Y
W
L
F
V
K
-
R
D
T
--
Y
V
-
D
--
I
T
L
R
D
F
S
P
S
R
E
-------
I
L
K
D
---
I
---
L
R
V
G
L
P
S
-----
S
L
S
Q
L
S
M
S
I
A
M
-
F
F
L
N
S
-
V
A
I
T
A
G
G
E
N
G
V
A
V
F
T
S
A
W
R
I
T
M
L
G
I
V
P
I
L
G
M
A
A
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
E
T
A
Y
L
Y
A
I
K
I
A
F
M
I
E
L
A
V
V
A
F
I
M
L
F
A
P
Q
V
A
Y
L
F
T
Y
---------------
I
K
G
D
L
I
S
A
L
R
T
L
P
V
F
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
S
L
I
L
T
I
-
F
R
T
L
V
M
Q
V
G
F
A
Y
-----
I
F
V
H
Y---
T
T
L
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
G
R
M
R
I
S
-
A
L
K
K
T
S
A
T
----------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
51.60
24%
-117
- C1 -
3VVP
1
?
A:
[180-439]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
V
L
D
P
I
F
I
Y
----
T
L
G
----
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
I
A
Y
W
L
F
V
K
-
R
D
T
--
Y
V
-
D
--
I
---
D
F
SP
S
R
E
-------
I
L
K
D
---
I
---
L
R
V
G
L
P
S
-----
S
L
S
Q
L
S
M
S
I
A
M
-
F
F
L
N
S
-
V
A
I
T
A
G
G
E
N
G
V
A
V
F
T
S
A
W
R
I
T
M
L
G
I
V
P
I
L
G
M
A
A
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
E
T
A
Y
L
Y
A
I
K
I
A
F
M
I
E
L
A
V
V
A
F
I
M
L
----------------------------D
L
-
I
S
A
L
R
T
L
P
V
F
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
S
L
I
L
T
I
-
F
R
T
L
V
M
Q
V
G
F
A
Y
-----
I
F
V
HY---
T
T
L
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
G
R
M
R
I
S
-
A
L
K
K
--------------------------------------------------------------------------------------------------------
18
HHSearch
48.06
17%
-112
- C1 -
3W4T
8
?
A:
[14-212]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
D
P
K
K
A
I
---
V
R
L
S
I
A
M
M
I
-
G
M
S
V
Q
T
L
Y
N
L
A
D
G
-
I
W
V
S
G
-
L
G
P
E
S
L
A
A
V
G
L
-
F
F
P
V
F
M
G
I
I
A
---
L
A
A
-
G
L
G
V
G
T
S
S
A
I
A
R
R
I
G
A
R
D
K
E
G
A
D
N
V
A
V
H
S
L
I
L
S
L
I
L
G
V
T
I
T
I
T
M
L
P
A
I
D
S
L
F
R
S
M
G
A
K
G
E
A
V
---
E
L
-
A
I
E
Y
A
R
---
V
L
L
A
G
A
F
I
I
V
F
N
N
V
G
N
G
I
L
R
G
E
G
D
A
N
R
A
----
M
L
A
M
V
L
G
S
-
G
L
N
I
V
L
D
P
I
F
-----
I
Y
T
-----
L
G
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
I
A
Y
W
L
F
V
K
R
D
-
T
Y
V
D
I
T
L
R
D
F
S
P
S
R
E
I
L
K
D
I
L
R
V
G
L
P
S
S
L
S
Q
L
S
M
S
I
A
M
F
F
L
N
S
V
A
I
T
A
G
G
E
N
G
V
A
V
F
T
S
A
W
R
I
T
M
L
G
I
V
P
I
L
G
M
A
A
A
T
T
S
V
T
G
A
A
Y
G
E
R
N
V
E
K
L
E
T
A
Y
L
Y
A
I
K
I
A
F
M
I
7
PsiBlast_PDB
46.51
23%
-117
- C1 -
4LZ6
-
?
A:
[168-418]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
V
--
T
M
I
V
P
A
V
L
N
I
L
L
D
V
L
F
I
F
----
G
L
N
----
M
G
V
L
G
A
S
I
A
T
V
I
A
Q
A
S
V
T
G
L
V
--
L
R
Y
F
L
T
G
K
S
--
T
L
-
S
--
L
H
W
S
D
L
--
R
M
K
GSV
I
K
E
V
C
L
V
G
L
P
A
F
---
V
Q
Q
S
S
A
S
L
M
-
M
I
A
I
N
S
M
L
L
R
F
G
S
D
F
Y
V
G
V
-
F
G
L
V
Q
---------
R
I
M
M
F
V
M
M
---
P
M
M
-
G
I
M
Q
A
M
Q
P
I
V
G
Y
N
Y
G
A
K
Q
Y
S
R
L
R
E
T
V
M
L
G
F
K
V
A
T
I
F
S
I
G
I
F
A
L
L
M
L
F
P
E
A
L
L
R
V
F
T
A
D
R
E
V
I
---
Q
A
G
V
S
A
M
H
I
---
L
F
C
V
T
F
L
I
G
A
-
Q
I
V
A
G
G
L
Y
Q
S
L
G
K
P
K
Q
A
----
L
I
L
S
L
S
R
Q
I
I
F
L
I
P
--
L
V
L
-----
I
L
P
-----
H
I
F
G
L
S
G
V
W
W
A
F
P
I
A
D
V
L
S
F
I
L
T
V
V
L
L
Y
R
D
R
N
-
V
F
F
L
K
-------------------------------------------------------------------------------------------------------