@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 : I3U152: (2017-12-19 )
MSNSHHATESLSQDKKHAGKVGKMKLKQLPLEYQKAIPVLKKLENAGYEAYFVGGSVRDILLNQPIHDVDIATSAFPEEIKQLFPKTIDIGIEHGTVLVLENDEQYEITTFRTESTYQDYRRPDHVEFVRSLSEDLKRRDFTINAFALKEDGEIIDLFDGLQDLEEQILRAVGNPHERFHEDALRMMRGLRFVSQLGFKLEEETFYAIKENHELLGKISVERINVEFIKMLLGNERAAGIHAFIETECYICCPGLKEEGEALLRLLNYHPSH
Atome Classification :
(34 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--------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MSNSH
H
A
T
E
S
L
S
Q
D
K
K
H
AGKVG
K
M
K
L
K
QL
P
L
E
Y
Q
K
A
I
P
V
L
K
K
L
E
NAGY
E
A
Y
F
VGG
S
V
R
D
I
LLNQPIHDVDIATSA----
F
P
E
E
I
K
Q
L
F
P
K
T
-----
I
-----
D
IGI----EH----
G
T
V
L
V
L
ENDE
Q
Y
E
I
T
T
F
R
-TES
T
Y
Q
D
YRR
P
D
H
V
E
F
V
R
----
S
L
S
E
D
L
K
RRD
F
T
I
N
A
F
A
----L----K-ED----GE
I
I
D
L
F
D
G
L
Q
D
L
E
E
Q
I
L
R
AVG
N
P
H
E
R
F
H
E
D
A
L
R
M
M
R
G
L
R
F
V
S
Q
LG---FK---L---EE
E
T
F
Y
A
IKEN
H
E
--
L
L
G
K
I
S
V
E
R
I
N
V
E
F
I
K
M
L
LGNERAA
G
I
H
A
F
--
I
ET
E
--
C
Y
---------------------
I
CCPG---L
K
E
E
G
E
A
L
L
R
L
L
NYHPSH--------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
95.91
52%
-117
- C4 -
-
1MIW
1
CCA_GEOSE
A:
[5-236]
--------------------------------
F
Q
E
A
L
G
I
I
Q
Q
L
K
Q
H
G
Y
D
A
Y
F
V
G
G
A
V
R
D
L
L
L
G
R
P
I
G
D
V
D
I
A
T
S
A
----
L
P
E
D
V
M
A
I
F
P
K
T
-----
I
-----
D
V
G
S
----
K
H
----
G
T
V
V
V
V
H
K
G
K
A
Y
E
V
T
T
F
K
-
T
D
G
---------
S
V
T
F
V
R
----
S
L
E
E
D
L
K
R
R
D
F
T
M
N
A
I
A
----
M
----
D
-
E
Y
----
G
T
I
I
D
P
F
G
G
R
E
A
I
R
R
R
I
I
R
T
V
G
E
A
E
K
R
F
R
E
D
A
L
R
M
M
R
A
V
R
F
V
S
E
L
G
---
F
A
---
L
---
A
P
D
T
E
Q
A
I
V
Q
N
A
P
--
L
L
A
H
I
S
V
E
R
M
T
M
E
M
E
K
L
L
G
G
P
F
A
A
R
A
L
P
L
L
--
A
E
T
G
--
L
N
---------------------
A
Y
L
P
G
---
L
A
G
K
-
E
K
Q
L
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
95.49
52%
-121
- C4 -
-
1MIV
-
CCA_GEOSE
A:
[5-236]
--------------------------------
F
Q
E
A
L
G
I
I
Q
Q
L
K
Q
H
G
Y
D
A
Y
F
V
G
G
A
V
R
D
L
L
L
G
R
P
I
G
D
V
D
I
A
T
S
A
----
L
P
E
D
V
M
A
I
F
P
K
T
-----
I
-----
D
V
G
S
----
K
H
----
G
T
V
V
V
V
H
K
G
K
A
Y
E
V
T
T
F
K
-
T
D
G
---------
S
V
T
F
V
R
----
S
L
E
E
D
L
K
R
R
D
F
T
M
N
A
I
A
----
M
----
D
-
E
Y
----
G
T
I
I
D
P
F
G
G
R
E
A
I
R
R
R
I
I
R
T
V
G
E
A
E
K
R
F
R
E
D
A
L
R
M
M
R
A
V
R
F
V
S
E
L
G
---
F
A
---
L
---
A
P
D
T
E
Q
A
I
V
Q
N
A
P
--
L
L
A
H
I
S
V
E
R
M
T
M
E
M
E
K
L
L
G
G
P
F
A
A
R
A
L
P
L
L
--
A
E
T
G
--
L
N
---------------------
A
Y
L
P
G
---
L
A
G
K
-
E
K
Q
L
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
93.53
52%
-108
- C4 -
-
1MIW
1
CCA_GEOSE
A:
[5-232]
--------------------------------
F
Q
E
A
L
G
I
I
Q
Q
L
K
Q
H
G
Y
D
A
Y
F
V
G
G
A
V
R
D
L
L
L
G
R
P
I
G
D
V
D
I
A
T
S
A
----
L
P
E
D
V
M
A
I
F
P
K
T
-----
I
-----
D
V
G
S
----
K
H
----
G
T
V
V
V
V
H
K
G
K
A
Y
E
V
T
T
F
K
-
T
D
G
---------
S
V
T
F
V
R
----
S
L
E
E
D
L
K
R
R
D
F
T
M
N
A
I
A
----
M
----
D
-
E
Y
----
G
T
I
I
D
P
F
G
G
R
E
A
I
R
R
R
I
I
R
T
V
G
E
A
E
K
R
F
R
E
D
A
L
R
M
M
R
A
V
R
F
V
S
E
L
G
---
F
A
---
L
---
A
P
D
T
E
Q
A
I
V
Q
N
A
P
--
L
L
A
H
I
S
V
E
R
M
T
M
E
M
E
K
L
L
G
G
P
F
A
A
R
A
L
P
L
L
--
A
E
T
G
--
L
N
---------------------
A
Y
-
L
P
---
G
L
A
G
K
E
K
-------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
92.95
53%
-119
- C4 -
-
1MIY
1
CCA_GEOSE
A:
[5-227]
--------------------------------
F
Q
E
A
L
G
I
I
Q
Q
L
K
Q
H
G
Y
D
A
Y
F
V
G
G
A
V
R
D
L
L
L
G
R
P
I
G
D
V
D
I
A
T
S
A
----
L
P
E
D
V
M
A
I
F
P
K
T
-----
I
-----
D
V
G
S
----
K
H
----
G
T
V
V
V
V
H
K
G
K
A
Y
E
V
T
T
F
K
-
T
D
G
---------
S
V
T
F
V
R
----
S
L
E
E
D
L
K
R
R
D
F
T
M
N
A
I
A
----
M
----
D
-
E
Y
----
G
T
I
I
D
P
F
G
G
R
E
A
I
R
R
R
I
I
R
T
V
G
E
A
E
K
R
F
R
E
D
A
L
R
M
M
R
A
V
R
F
V
S
E
L
G
---
F
A
---
L
---
A
P
D
T
E
Q
A
I
V
Q
N
A
P
--
L
L
A
H
I
S
V
E
R
M
T
M
E
M
E
K
L
L
G
G
P
F
A
A
R
A
L
P
L
L
--
A
E
T
G
--
L
N
---------------------
A
Y
L
P
G
---
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
92.76
52%
-115
- C4 -
-
1MIV
-
CCA_GEOSE
B:
[5-232]
--------------------------------
F
Q
E
A
L
G
I
I
Q
Q
L
K
Q
H
G
Y
D
A
Y
F
V
G
G
A
V
R
D
L
L
L
G
R
P
I
G
D
V
D
I
A
T
S
A
----
L
P
E
D
V
M
A
I
F
P
K
T
-----
I
-----
D
V
G
S
----
K
H
----
G
T
V
V
V
V
H
K
G
K
A
Y
E
V
T
T
F
K
-
T
D
G
---------
S
V
T
F
V
R
----
S
L
E
E
D
L
K
R
R
D
F
T
M
N
A
I
A
----
M
----
D
-
E
Y
----
G
T
I
I
D
P
F
G
G
R
E
A
I
R
R
R
I
I
R
T
V
G
E
A
E
K
R
F
R
E
D
A
L
R
M
M
R
A
V
R
F
V
S
E
L
G
---
F
A
---
L
---
A
P
D
T
E
Q
A
I
V
Q
N
A
P
--
L
L
A
H
I
S
V
E
R
M
T
M
E
M
E
K
L
L
G
G
P
F
A
A
R
A
L
P
L
L
--
A
E
T
G
--
L
N
---------------------
A
Y
-
L
P
---
G
L
A
G
K
E
K
-------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
92.36
53%
-115
- C4 -
-
1MIY
1
CCA_GEOSE
B:
[5-227]
--------------------------------
F
Q
E
A
L
G
I
I
Q
Q
L
K
Q
H
G
Y
D
A
Y
F
V
G
G
A
V
R
D
L
L
L
G
R
P
I
G
D
V
D
I
A
T
S
A
----
L
P
E
D
V
M
A
I
F
P
K
T
-----
I
-----
D
V
G
S
----
K
H
----
G
T
V
V
V
V
H
K
G
K
A
Y
E
V
T
T
F
K
-
T
D
G
---------
S
V
T
F
V
R
----
S
L
E
E
D
L
K
R
R
D
F
T
M
N
A
I
A
----
M
----
D
-
E
Y
----
G
T
I
I
D
P
F
G
G
R
E
A
I
R
R
R
I
I
R
T
V
G
E
A
E
K
R
F
R
E
D
A
L
R
M
M
R
A
V
R
F
V
S
E
L
G
---
F
A
---
L
---
A
P
D
T
E
Q
A
I
V
Q
N
A
P
--
L
L
A
H
I
S
V
E
R
M
T
M
E
M
E
K
L
L
G
G
P
F
A
A
R
A
L
P
L
L
--
A
E
T
G
--
L
N
---------------------
A
Y
L
P
G
---
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------
69
Fugue
83.98
33%
-67
- C4 -
-
4X4W
3
TRNT1_HUMAN
A:
[1-409]
M
F
T
M
K
L
Q
S
P
E
F
Q
S
L
F
T
E
G
L
K
S
L
T
E
L
F
V
K
-----------------
E
N
H
E
L
R
I
A
G
G
A
V
R
D
L
L
N
G
V
K
P
Q
D
I
D
F
A
T
T
A
----
T
P
T
Q
M
K
E
M
F
Q
S
A
-----------
G
I
R
M
----
I
N
----
G
T
I
T
A
R
L
H
E
E
N
F
E
I
T
T
L
R
-
I
D
V
T
----
T
D
G
A
E
V
E
F
T
T
----
D
W
Q
K
D
A
E
R
R
D
L
T
I
N
S
M
F
----
L
----
G
-
F
D
----
G
T
L
F
D
Y
F
N
G
Y
E
D
L
K
N
K
K
V
R
F
V
G
H
A
K
Q
R
I
Q
E
D
Y
L
R
I
L
R
Y
F
R
F
Y
G
R
I
V
---
D
K
PGD
H
---
D
P
E
T
L
E
A
I
A
E
N
A
K
--
G
L
A
G
I
S
G
E
R
I
W
V
E
L
K
K
I
L
V
G
N
H
V
N
H
L
I
H
L
I
--
Y
D
L
D
VA
P
Y
---------------------
I
G
L
P
A
NAS
L
E
E
F
D
K
V
S
K
N
V
D
G
F
S
P
K
P
V
T
L
L
A
S
L
FKV
Q
D
D
V
T
K
L
D
L
R
LKIA
K
E
E
K
N
L
G
L
F
I
V
K
N
R
KDL
I
K
A
T
DSSDPL
K
P
Y
Q
D
F
I
I
D
SD
A
T
T
R
V
C
E
L
L
K
Y
Q
GEHCL
L
K
E
M
Q
Q
WSIPPFPVS
G
H
D
I
R
K
V
GISS
G
K
E
I
G
A
L
L
Q
Q
L
R
E
Q
W
K
K
S
GYQME
K
D
E
L
L
S
Y
I
K
K
T
L
68
Fugue
80.52
31%
-60
- C4 -
-
3AQL
1
?
A:
[1-411]
-------
Q
V
T
V
I
P
R
E
Q
H
A
I
S
R
K
D
I
S
--------
E
N
A
L
K
V
M
Y
R
L
N
K
A
G
Y
E
A
W
L
V
G
G
G
V
R
D
L
L
L
G
K
K
P
K
D
F
D
V
T
T
N
A
----
T
P
E
Q
V
R
K
L
F
R
N
C
-----
R
-----
L
V
G
R
----
R
F
----
R
L
A
H
V
M
F
G
P
E
I
I
E
V
A
T
F
R
-
G
N
I
F
-------------
G
----
S
I
E
E
D
A
Q
R
R
D
F
T
I
N
S
L
Y
----
Y
----
S
V
A
D
----
F
T
V
R
D
Y
V
G
G
M
K
D
L
K
D
G
V
I
R
L
I
G
N
P
E
T
R
Y
R
E
D
P
V
R
M
L
R
A
V
R
F
A
A
K
L
G
---
M
R
---
I
---
S
P
E
T
A
E
P
I
P
R
L
A
T
--
L
L
N
D
I
P
P
A
H
L
F
E
E
S
L
K
L
L
Q
A
G
Y
G
Y
E
T
Y
K
L
L
--
C
E
Y
H
--
L
F
Q
P
L
F
P
T
I
T
R
Y
FTENGDS
P
M
E
R
I
I
E
Q
V
---
L
K
N
T
D
T
R
I
H
N
D
M
R
V
N
P
A
F
L
F
A
A
M
F
W
Y
P
L
L
E
T
A
Q
K
I
A
Q
E
S
GLT
Y
H
D
A
F
A
L
A
M
N
D
V
L
D
E
A
C
R
S
LAIP
K
R
L
T
T
L
T
R
D
I
W
Q
L
Q
L
R
M
S
RRQGKR
A
W
K
L
L
E
HPK
F
R
A
A
Y
D
L
L
A
L
R
A
E
V
E
RN
A
E
L
Q
R
L
V
K
W
W
G
E
F
Q
V
SA
P
P
D
Q
K
G
M
L------------------
38
HHSearch
71.92
29%
-78
* C4 *
-
3AQL
1
?
A:
[16-265]
------------------------------
D
I
S
E
N
A
L
K
V
M
Y
R
L
N
K
A
G
Y
E
A
W
L
V
G
G
G
V
R
D
L
L
L
G
K
K
P
K
D
F
D
V
T
T
N
A
----
T
P
E
Q
V
R
K
L
F
R
N
C
-----
R
-----
L
V
G
R
----
R
F
----
R
L
A
H
V
M
F
G
P
E
I
I
E
V
A
T
F
R
-
G
-------------
N
I
F
G
----
S
I
E
E
D
A
Q
R
R
D
F
T
I
N
S
L
Y
----
Y
----
S
-
V
A
D---
F
T
V
R
D
Y
V
G
G
M
K
D
L
K
D
G
V
I
R
L
I
G
N
P
E
T
R
Y
R
E
D
P
V
R
M
L
R
A
V
R
F
A
A
K
L
G
---
M
R
---
I
---
S
P
E
T
A
E
P
I
P
R
L
A
T
--
L
L
N
D
I
P
P
A
H
L
F
E
E
S
L
K
L
L
Q
A
G
Y
G
Y
E
T
Y
K
L
L
--
C
E
Y
H
--
L
F
---------------------
Q
P
L
F
P
---
T
I
T
R
Y
F
T
E
N
G
D
S
P
M
E
-----------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
70.10
34%
15
- C4 -
-
4X4W
2
TRNT1_HUMAN
A:
[15-250]
-------------------------------
F
T
E
G
L
K
S
L
T
E
L
F
V
K
E
N
H
E
L
R
I
A
G
G
A
V
R
D
L
L
N
G
V
K
P
Q
D
I
D
F
A
T
T
A
----
T
P
T
Q
M
K
E
M
F
Q
S
A
-----
G
I
R
M
I
N--------------
G
T
I
T
A
R
L
H
E
E
N
F
E
I
T
T
L
R
-
I
D
V
T
T
-
D
G
--
A
-
E
V
E
F
T
T
----
D
W
Q
K
D
A
E
R
R
D
L
T
I
N
S
M
F
----
L
----
G
-
F
D
----
G
T
L
F
D
Y
F
N
G
Y
E
D
L
K
N
K
K
V
R
F
V
G
H
A
K
Q
R
I
Q
E
D
Y
L
R
I
L
R
Y
F
R
F
Y
G
R
I
V
DKP
G
D
---
H
---
D
P
E
T
L
E
A
I
A
E
N
A
K
--
G
L
A
G
I
S
G
E
R
I
W
V
E
L
K
K
I
L
V
G
N
H
V
N
H
L
I
H
L
I
--
Y
D
L
D
--
V
A
---------------------
P
Y
I
G
L
---
P
A
N
A
----------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
69.86
29%
-65
- C4 -
-
3AQK
-
?
A:
[31-281]
-----------------------------
K
D
I
S
E
N
A
L
K
V
M
Y
R
L
N
K
A
G
Y
E
A
W
L
V
G
G
G
V
R
D
L
L
L
G
K
K
P
K
D
F
D
V
T
T
N
A
----
T
P
E
Q
V
R
K
L
F
R
N
C
-----
R
-----
L
V
G
R
----
R
F
----
R
L
A
H
V
M
F
G
P
E
I
I
E
V
A
T
F
R
---------------
N
I
F
G
----
S
I
E
E
D
A
Q
R
R
D
F
T
I
N
S
L
Y
----
Y
----
S
-
V
A
D---
F
T
V
R
D
Y
V
G
G
M
K
D
L
K
D
G
V
I
R
L
I
G
N
P
E
T
R
Y
R
E
D
P
V
R
M
L
R
A
V
R
F
A
A
K
L
G
---
M
R
---
I
---
S
P
E
T
A
E
P
I
P
R
L
A
T
--
L
L
N
D
I
P
P
A
H
L
F
E
E
S
L
K
L
L
Q
A
G
Y
G
Y
E
T
Y
K
L
L
--
C
E
Y
H
--
L
F
---------------------
Q
P
L
F
P
---
T
I
T
R
Y
F
T
E
N
G
D
S
P
M
E
-----------------------------------------------------------------------------------------------------------------------------------------------
67
Fugue
69.64
31%
-5
- C4 -
-
1VFG
1
?
A:
[1-351]
-------------------------------------
M
V
G
Q
I
A
K
E
M
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
H
G
V
N
-
V
-----
H
P
F
P
----
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
T
V
E
P
A
---------------
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
----
I
S
VNL
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
H
P
V
--
S
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
E
K
L
L
K
Q
A
V
N
L
G
L
L
K
E
A
P
R
G
R
L
I
N
E
I
K
L
A
L
R
E
D
R
F
L
E
I
L
E
L
Y
--
R
K
Y
R
--
V
L
---------------------
E
E
I
I
E
---
G
F
Q
W
N
E
K
V
L
Q
K
L
Y
A
L
R
K
V
V
D
W
H
A
L
E
FSEERIDY
G
W
L
Y
L
L
I
L
I
SNLDYERGK
H
F
L
E
E
M
SAP
S
W
V
R
E
T
Y
K
F
M
K
F
K
L
G
S
L
K
E
E
L
KKAKENY
E
V
Y
R
L
L
K
P
LHT
S
V
L
L
L
L
M
LEEEL
K
E
K
I
K
L
Y
L
E
K
L
R
K
V
K
L
P------------------------------
6
PsiBlast_PDB
69.64
36%
30
- C4 -
-
4X4W
2
TRNT1_HUMAN
A:
[31-248]
-----------------------------------------------
H
E
L
R
I
A
G
G
A
V
R
D
L
L
N
G
V
K
P
Q
D
I
D
F
A
T
T
A
----
T
P
T
Q
M
K
E
M
F
Q
S
A
G
I
R
M
I
N
-------------------
G
T
I
T
A
R
L
H
E
E
N
F
E
I
T
T
L
R
-
I
D
V
T
T
D
G
----
A
E
V
E
F
T
T
----
D
W
Q
K
D
A
E
R
R
D
L
T
I
N
S
M
F
----
L
----
G
-
F
D
----
G
T
L
F
D
Y
F
N
G
Y
E
D
L
K
N
K
K
V
R
F
V
G
H
A
K
Q
R
I
Q
E
D
Y
L
R
I
L
R
Y
F
R
F
Y
G
R
I
V
---
D
K
---
P
GDH
D
P
E
T
L
E
A
I
A
E
N
A
K
--
G
L
A
G
I
S
G
E
R
I
W
V
E
L
K
K
I
L
V
G
N
H
V
N
H
L
I
H
L
I
Y
D
L
D
V
A
--
P
Y
---------------------
I
G
L
P
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
68.83
36%
25
- C4 -
-
4X4W
2
TRNT1_HUMAN
B:
[31-248]
-----------------------------------------------
H
E
L
R
I
A
G
G
A
V
R
D
L
L
N
G
V
K
P
Q
D
I
D
F
A
T
T
A
----
T
P
T
Q
M
K
E
M
F
Q
S
A
G
I
R
M
I
N
-------------------
G
T
I
T
A
R
L
H
E
E
N
F
E
I
T
T
L
R
-
I
D
V
T
T
D
-----
A
E
V
E
F
T
T
----
D
W
Q
K
D
A
E
R
R
D
L
T
I
N
S
M
F
----
L
----
G
-
F
D
----
G
T
L
F
D
Y
F
N
G
Y
E
D
L
K
N
K
K
V
R
F
V
G
H
A
K
Q
R
I
Q
E
D
Y
L
R
I
L
R
Y
F
R
F
Y
G
R
I
V
---
D
K
---
P
GDH
D
P
E
T
L
E
A
I
A
E
N
A
K
--
G
L
A
G
I
S
G
E
R
I
W
V
E
L
K
K
I
L
V
G
N
H
V
N
H
L
I
H
L
I
Y
D
L
D
V
A
--
P
Y
---------------------
I
G
L
P
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
67.41
34%
-5
- C4 -
-
3AQN
1
?
B:
[19-227]
---------------------------------
E
N
A
L
K
V
M
Y
R
L
N
K
A
G
Y
E
A
W
L
V
G
G
G
V
R
D
L
L
L
G
K
K
P
K
D
F
D
V
T
T
N
A
----
T
P
E
Q
V
R
K
L
F
R
N
C
-----
R
-----
L
V
G
R
----
R
F
----
R
L
A
H
V
M
F
G
P
E
I
I
E
V
A
T
F
R
G------------------NIFG
S
I
E
E
D
A
Q
R
R
D
F
T
I
N
S
L
Y
----
Y
----
S
V
A
D
----
F
T
V
R
D
Y
V
G
G
M
K
D
L
K
D
G
V
I
R
L
I
G
N
P
E
T
R
Y
R
E
D
P
V
R
M
L
R
A
V
R
F
A
A
K
L
G
---
M
R
---
I
---
S
P
E
T
A
E
P
I
P
R
L
A
T
--
L
L
N
D
I
P
P
A
H
L
F
E
E
S
L
K
L
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
67.39
34%
-6
- C4 -
-
3AQL
1
?
B:
[19-227]
---------------------------------
E
N
A
L
K
V
M
Y
R
L
N
K
A
G
Y
E
A
W
L
V
G
G
G
V
R
D
L
L
L
G
K
K
P
K
D
F
D
V
T
T
N
A
----
T
P
E
Q
V
R
K
L
F
R
N
C
-----
R
-----
L
V
G
R
----
R
F
----
R
L
A
H
V
M
F
G
P
E
I
I
E
V
A
T
F
R
G------------------NIFG
S
I
E
E
D
A
Q
R
R
D
F
T
I
N
S
L
Y
----
Y
----
S
V
A
D
----
F
T
V
R
D
Y
V
G
G
M
K
D
L
K
D
G
V
I
R
L
I
G
N
P
E
T
R
Y
R
E
D
P
V
R
M
L
R
A
V
R
F
A
A
K
L
G
---
M
R
---
I
---
S
P
E
T
A
E
P
I
P
R
L
A
T
--
L
L
N
D
I
P
P
A
H
L
F
E
E
S
L
K
L
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
67.05
34%
-10
- C4 -
-
3AQM
-
?
A:
[19-227]
---------------------------------
E
N
A
L
K
V
M
Y
R
L
N
K
A
G
Y
E
A
W
L
V
G
G
G
V
R
D
L
L
L
G
K
K
P
K
D
F
D
V
T
T
N
A
----
T
P
E
Q
V
R
K
L
F
R
N
C
-----
R
-----
L
V
G
R
----
R
F
----
R
L
A
H
V
M
F
G
P
E
I
I
E
V
A
T
F
R
G------------------NIFG
S
I
E
E
D
A
Q
R
R
D
F
T
I
N
S
L
Y
----
Y
----
S
V
A
D
----
F
T
V
R
D
Y
V
G
G
M
K
D
L
K
D
G
V
I
R
L
I
G
N
P
E
T
R
Y
R
E
D
P
V
R
M
L
R
A
V
R
F
A
A
K
L
G
---
M
R
---
I
---
S
P
E
T
A
E
P
I
P
R
L
A
T
--
L
L
N
D
I
P
P
A
R
L
F
E
E
S
L
K
L
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
66.14
34%
-11
- C4 -
-
3AQL
1
?
A:
[19-227]
---------------------------------
E
N
A
L
K
V
M
Y
R
L
N
K
A
G
Y
E
A
W
L
V
G
G
G
V
R
D
L
L
L
G
K
K
P
K
D
F
D
V
T
T
N
A
----
T
P
E
Q
V
R
K
L
F
R
N
C
-----
R
-----
L
V
G
R
----
R
F
----
R
L
A
H
V
M
F
G
P
E
I
I
E
V
A
T
F
R
G------------------NIFG
S
I
E
E
D
A
Q
R
R
D
F
T
I
N
S
L
Y
----
Y
----
S
V
A
D
----
F
T
V
R
D
Y
V
G
G
M
K
D
L
K
D
G
V
I
R
L
I
G
N
P
E
T
R
Y
R
E
D
P
V
R
M
L
R
A
V
R
F
A
A
K
L
G
---
M
R
---
I
---
S
P
E
T
A
E
P
I
P
R
L
A
T
--
L
L
N
D
I
P
P
A
H
L
F
E
E
S
L
K
L
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
65.87
34%
-17
- C4 -
-
3AQK
-
?
A:
[35-243]
---------------------------------
E
N
A
L
K
V
M
Y
R
L
N
K
A
G
Y
E
A
W
L
V
G
G
G
V
R
D
L
L
L
G
K
K
P
K
D
F
D
V
T
T
N
A
----
T
P
E
Q
V
R
K
L
F
R
N
C
-----
R
-----
L
V
G
R
----
R
F
----
R
L
A
H
V
M
F
G
P
E
I
I
E
V
A
T
F
R
-------------------NIFG
S
I
E
E
D
A
Q
R
R
D
F
T
I
N
S
L
Y
----
Y
----
S
V
A
D
----
F
T
V
R
D
Y
V
G
G
M
K
D
L
K
D
G
V
I
R
L
I
G
N
P
E
T
R
Y
R
E
D
P
V
R
M
L
R
A
V
R
F
A
A
K
L
G
---
M
R
---
I
---
S
P
E
T
A
E
P
I
P
R
L
A
T
--
L
L
N
D
I
P
P
A
H
L
F
E
E
S
L
K
L
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
65.66
34%
-8
- C4 -
-
3AQN
1
?
A:
[19-227]
---------------------------------
E
N
A
L
K
V
M
Y
R
L
N
K
A
G
Y
E
A
W
L
V
G
G
G
V
R
D
L
L
L
G
K
K
P
K
D
F
D
V
T
T
N
A
----
T
P
E
Q
V
R
K
L
F
R
N
C
-----
R
-----
L
V
G
R
----
R
F
----
R
L
A
H
V
M
F
G
P
E
I
I
E
V
A
T
F
R
G------------------NIFG
S
I
E
E
D
A
Q
R
R
D
F
T
I
N
S
L
Y
----
Y
----
S
V
A
D
----
F
T
V
R
D
Y
V
G
G
M
K
D
L
K
D
G
V
I
R
L
I
G
N
P
E
T
R
Y
R
E
D
P
V
R
M
L
R
A
V
R
F
A
A
K
L
G
---
M
R
---
I
---
S
P
E
T
A
E
P
I
P
R
L
A
T
--
L
L
N
D
I
P
P
A
H
L
F
E
E
S
L
K
L
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
56.94
34%
8
- C4 -
-
3H39
1
?
B:
[37-205]
-------------------------------------------------
V
Y
V
V
G
G
F
V
R
D
L
L
L
G
I
K
N
L
D
I
D
I
V
V
E
G
N
A
L
E
F
A
E
Y
A
K
R
F
L
P
G
K
-----
L
--------
V
----
K
H
DKF
M
T
A
S
L
F
L
K
G
G
L
R
I
D
I
A
T
A
R
-
L
E
--------------
M
S
----
T
I
K
K
D
L
Y
R
R
D
F
T
I
N
A
M
A
----
I
----
K
-
L
N
PKDF
G
L
L
I
D
F
F
G
G
Y
R
D
L
K
E
G
V
I
R
V
L
H
T
L
S
--
F
V
D
D
P
T
R
I
L
R
A
I
R
F
E
Q
R
F
D
---
F
R
---
I
---
E
E
T
T
E
R
L
L
K
Q
A
V
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
56.03
38%
11
- C4 -
-
4WC0
1
?
B:
[10-191]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
HPFP
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
----------------PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
ISVN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
55.53
34%
11
- C4 -
-
3H3A
1
?
B:
[37-205]
-------------------------------------------------
V
Y
V
V
G
G
F
V
R
D
L
L
L
G
I
K
N
L
D
I
D
I
V
V
E
G
N
A
L
E
F
A
E
Y
A
K
R
F
L
P
G
K
-----
L
--------
V
----
K
H
DKF
M
T
A
S
L
F
L
K
G
G
L
R
I
D
I
A
T
A
R
-
L
E
--------
P
D
-
V
E
-
M
S
----
T
I
K
K
D
L
Y
R
R
D
F
T
I
N
A
M
A
----
I
----
K
-
L
N
PKDF
G
L
L
I
D
F
F
G
G
Y
R
D
L
K
E
G
V
I
R
V
L
H
T
L
S
--
F
V
D
D
P
T
R
I
L
R
A
I
R
F
E
Q
R
F
D
---
F
R
---
I
---
E
E
T
T
E
R
L
L
K
Q
A
V
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
55.53
38%
13
- C4 -
-
1VFG
1
?
B:
[10-194]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
HPFP
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
T
-------------
V
E
PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
ISVN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
55.45
34%
-1
- C4 -
-
3H3A
1
?
A:
[37-205]
-------------------------------------------------
V
Y
V
V
G
G
F
V
R
D
L
L
L
G
I
K
N
L
D
I
D
I
V
V
E
G
N
A
L
E
F
A
E
Y
A
K
R
F
L
P
G
K
-----
L
--------
V
----
K
H
DKFM
T
A
S
L
F
L
K
G
G
L
R
I
D
I
A
T
A
----------------
E
-
M
S
----
T
I
K
K
D
L
Y
R
R
D
F
T
I
N
A
M
A
----
I
----
K
-
L
N
PKDF
G
L
L
I
D
F
F
G
G
Y
R
D
L
K
E
G
V
I
R
V
L
H
T
L
S
--
F
V
D
D
P
T
R
I
L
R
A
I
R
F
E
Q
R
F
D
---
F
R
---
I
---
E
E
T
T
E
R
L
L
K
Q
A
V
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
55.32
38%
13
- C4 -
-
1VFG
1
?
A:
[10-171]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
H
P
F
P
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
T
-------------
V
E
PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
I
S
VN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
55.25
38%
18
- C4 -
-
4WC7
1
?
A:
[10-175]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
H
P
F
P
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
T
--------------
E
PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
I
S
VN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
55.17
38%
18
- C4 -
-
4WC5
1
?
A:
[10-175]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
H
P
F
P
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
T
--------------
E
PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
I
S
VN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
55.12
38%
13
- C4 -
-
4WC6
1
?
A:
[10-175]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
H
P
F
P
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
T
--------------
E
PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
I
S
VN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
55.12
38%
23
- C4 -
-
4WC2
1
?
A:
[10-175]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
H
P
F
P
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
T
--------------
E
PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
I
S
VN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
55.03
38%
15
- C4 -
-
4WC1
1
?
A:
[10-177]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
H
P
F
P
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
----------------PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
I
S
VN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
54.85
38%
17
- C4 -
-
4WC4
1
?
A:
[10-175]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
H
P
F
P
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
T
--------------
E
PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
I
S
VN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
54.79
38%
14
- C4 -
-
4WC0
1
?
A:
[10-177]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
H
P
F
P
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
----------------PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
I
S
VN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
54.77
38%
10
- C4 -
-
4WC1
1
?
B:
[10-191]
----------------------------------------------
G
L
R
A
Y
I
V
G
G
V
V
R
D
I
L
L
G
K
E
V
W
D
V
D
F
V
V
E
G
----
N
A
I
E
L
A
K
E
L
A
R
R
-----
H
-----
G
V
N
V
HPFP
E
F
----
G
T
A
H
L
K
I
G
K
L
K
L
E
F
A
T
A
R
-
R
E
----------------PA--
S
L
K
E
D
L
I
R
R
D
F
T
I
N
A
M
A
ISVN
L
----
E
-
D
Y
----
G
T
L
I
D
Y
F
G
G
L
R
D
L
K
D
K
V
I
R
V
L
-
H
P
V
S
-
F
I
E
D
P
V
R
I
L
R
A
L
R
F
A
G
R
L
N
---
F
K
---
L
---
S
R
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------