@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 : PF00105_VDR_CH: (2014-08-26 )
MSELRGSWDEQQQSMAYLPDADMDTVAASTSLPDPAGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKAMFTCPFNGDCKITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKESLKPKLSEEQQKVIDTLLEAHHKTFDTTYSDFNKFRPPVRSKFSSRMATHSSSVVSQDFSSEDSNDVFGSDAFAAFPEPMEPQMFSNLDLSEESDESPSMNIELPHLPMLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIALLKSSAIEVIMLRSNQSFTMEDMSWTCGSNDFKYKVSDVTQAGHSMDLLEPLVKFQVGLKKLNLHEEEHVLLMAICILSPDRPGVQDTSLVESIQDRLSDILQTYIRCRHPPPGSRLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPEHSMQLTPLVLEVFGNEIS
Atome Classification :
(29 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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
S
E
LRGS
W
D
E
Q
Q
Q
S
MAYLPDAD
M
D
T
VAASTSLPDPAGDFDRNV
P
R
I
C
GVCGDRAT
G
F
H
FNAM
T
C
E
G
C
K
G
F
F
R
R
S
MKRK
A
M
F
TCPFNGD
C
K
ITKDN
R
R
H
C
Q
A
C
R
L
K
R
C
V
D
I
G
M
M
K
E
F
ILT
D
E
E
V
Q
R
K
R
E
M
I
L
K
R
K
E
E
E
A
L
K
E
SLKPKL
S
E
E
Q
Q
K
V
I
D
T
L
L
E
A
H
HKTFDT
T
Y
S
D
F
N
KFRP
P
V
R
S
K
F
S
S
R
M
ATH
S
S
S
V
V
SQDFSSEDSNDVFGS
D
A
F
AAFPEPME
P
Q
M
FSNLDLSEESDESPSM
N
I
ELPHLPM
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
MIPGFRDLTA
E
D
Q
I
A
L
L
KSS
A
I
E
V
I
M
LRSNQS
F
T
M
ED
M
S
W
TCGSN
D
F
K
Y
K
V
S
D
V
TQAGH
S
M
D
L
L
E
P
L
V
K
F
Q
V
G
L
K
KLNLHEEE
H
V
L
L
M
A
I
C
I
LSPDRPGVQ
D
T
S
L
V
E
S
I
Q
D
R
L
S
D
I
L
Q
T
Y
I
RCRHPPPGS
R
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
SK
Q
Y
R
C
L
SFQPEHSM
Q
L
T
P
L
V
L
E
V
FGNEIS
42
HHSearch
89.68
70%
-117
- C1 -
2HC4
2
VDRA_DANRE
A:
[3-301]
------------------------------------------------------------------------------------------------------------------------------------------------
H
M
L
S
D
E
Q
M
Q
I
I
N
S
L
V
E
A
H
H
K
T
Y
D
D
S
Y
S
D
F
V
R
F
R
P
P
V
R
-----------------------------------------------------------------
R
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
A
E
D
Q
I
A
L
L
K
S
S
A
I
E
I
I
M
L
R
S
N
Q
S
F
S
L
E
D
M
S
W
S
C
G
G
P
D
F
K
Y
C
I
N
D
V
T
K
A
G
H
T
L
E
L
L
E
P
L
V
K
F
Q
V
G
L
K
K
L
K
L
H
E
E
E
H
V
L
L
M
A
I
C
L
L
S
P
D
R
P
G
V
Q
D
H
V
R
I
E
A
L
Q
D
R
L
C
D
V
L
Q
A
Y
I
R
I
Q
H
--
P
G
G
R
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
S
L
S
F
Q
P
E
H
S
M
Q
L
T
P
L
V
L
E
V
F
G
S
E
V
-
44
HHSearch
86.79
82%
-112
- C1 -
3B0T
1
VDR_HUMAN
A:
[1-254]
---------------------------------------------------------------------------------------------------------------------------------------------
A
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
N
D
------------------
G
---------------
G
G
-------------------
S
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
45
HHSearch
85.93
80%
-115
- C1 -
2O4J
2
VDR_RAT
A:
[8-259]
-------------------------------------------------------------------------------------------------------------------------------------------------
K
L
S
E
E
Q
Q
H
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
A
D
F
R
D
F
R
P
P
V
R
M
----------------------------------------------------------------
P
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
D
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
Q
S
F
T
M
D
D
M
S
W
D
C
G
S
Q
D
Y
K
Y
D
V
T
D
V
S
K
A
G
H
T
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
K
L
V
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
Q
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
S
L
S
F
Q
P
E
N
S
M
K
L
T
P
L
V
L
E
V
F
G
N
E
--
12
PsiBlast_PDB
84.35
69%
-109
- C1 -
3A40
1
VDR_HUMAN
X:
[5-259]
--------------------------------------------------------------------------------------------------------------------------------------------
D
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
11
PsiBlast_PDB
84.07
69%
-108
- C1 -
3A3Z
1
VDR_HUMAN
X:
[5-259]
--------------------------------------------------------------------------------------------------------------------------------------------
D
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
8
PsiBlast_PDB
84.00
69%
-108
- C1 -
2HB8
1
VDR_HUMAN
A:
[6-259]
---------------------------------------------------------------------------------------------------------------------------------------------
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
3
PsiBlast_PDB
83.45
69%
-112
- C1 -
1TXI
1
VDR_HUMAN
A:
[7-259]
----------------------------------------------------------------------------------------------------------------------------------------------
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
20
PsiBlast_PDB
83.35
68%
-106
- C1 -
3P8X
1
VDR_HUMAN
A:
[22-276]
--------------------------------------------------------------------------------------------------------------------------------------------
D
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
----------------------------------------------------
N
D
G
G
G
S
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
7
PsiBlast_PDB
83.29
69%
-107
- C1 -
2HB7
1
VDR_HUMAN
A:
[6-259]
---------------------------------------------------------------------------------------------------------------------------------------------
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
10
PsiBlast_PDB
83.28
69%
-107
- C1 -
3CS6
1
VDR_HUMAN
A:
[6-259]
---------------------------------------------------------------------------------------------------------------------------------------------
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
5
PsiBlast_PDB
83.12
69%
-109
- C1 -
2HAR
1
VDR_HUMAN
A:
[6-259]
---------------------------------------------------------------------------------------------------------------------------------------------
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
--
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
2
PsiBlast_PDB
83.10
69%
-111
- C1 -
1S19
1
VDR_HUMAN
A:
[7-259]
----------------------------------------------------------------------------------------------------------------------------------------------
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
9
PsiBlast_PDB
83.06
69%
-107
- C1 -
3CS4
1
VDR_HUMAN
A:
[6-259]
---------------------------------------------------------------------------------------------------------------------------------------------
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
1
PsiBlast_PDB
83.00
69%
-110
- C1 -
1S0Z
1
VDR_HUMAN
A:
[7-259]
----------------------------------------------------------------------------------------------------------------------------------------------
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
16
PsiBlast_PDB
82.88
69%
-110
- C1 -
3AX8
1
VDR_HUMAN
A:
[5-259]
--------------------------------------------------------------------------------------------------------------------------------------------
D
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
--
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
15
PsiBlast_PDB
82.87
69%
-111
- C1 -
3AUR
1
VDR_HUMAN
A:
[5-259]
--------------------------------------------------------------------------------------------------------------------------------------------
D
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
--
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
6
PsiBlast_PDB
82.74
69%
-107
- C1 -
2HAS
1
VDR_HUMAN
A:
[6-259]
---------------------------------------------------------------------------------------------------------------------------------------------
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
-
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
4
PsiBlast_PDB
82.63
69%
-107
- C1 -
2HAM
1
VDR_HUMAN
A:
[6-259]
---------------------------------------------------------------------------------------------------------------------------------------------
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
-
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
13
PsiBlast_PDB
82.54
69%
-108
- C1 -
3A78
1
VDR_HUMAN
A:
[5-259]
--------------------------------------------------------------------------------------------------------------------------------------------
D
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
14
PsiBlast_PDB
82.48
69%
-110
- C1 -
3AUQ
1
VDR_HUMAN
A:
[5-259]
--------------------------------------------------------------------------------------------------------------------------------------------
D
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
--
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
19
PsiBlast_PDB
82.30
69%
-110
- C1 -
4ITF
1
?
A:
[5-259]
--------------------------------------------------------------------------------------------------------------------------------------------
D
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
--
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
17
PsiBlast_PDB
82.29
69%
-107
- C1 -
3VHW
1
VDR_HUMAN
A:
[5-259]
--------------------------------------------------------------------------------------------------------------------------------------------
D
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
G
G
-
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
18
PsiBlast_PDB
82.17
69%
-113
- C1 -
4ITE
1
?
A:
[5-259]
--------------------------------------------------------------------------------------------------------------------------------------------
D
S
L
R
P
K
L
S
E
E
Q
Q
R
I
I
A
I
L
L
D
A
H
H
K
T
Y
D
P
T
Y
S
D
F
C
Q
F
R
P
P
V
R
V
-----------------------
N
D
--
G
S
-----------------------------
V
T
L
E
L
S
Q
L
S
M
L
P
H
L
A
D
L
V
S
Y
S
I
Q
K
V
I
G
F
A
K
M
I
P
G
F
R
D
L
T
S
E
D
Q
I
V
L
L
K
S
S
A
I
E
V
I
M
L
R
S
N
E
S
F
T
M
D
D
M
S
W
T
C
G
N
Q
D
Y
K
Y
R
V
S
D
V
T
K
A
G
H
S
L
E
L
I
E
P
L
I
K
F
Q
V
G
L
K
K
L
N
L
H
E
E
E
H
V
L
L
M
A
I
C
I
V
S
P
D
R
P
G
V
Q
D
A
A
L
I
E
A
I
Q
D
R
L
S
N
T
L
Q
T
Y
I
R
C
R
H
P
P
P
G
S
H
L
L
Y
A
K
M
I
Q
K
L
A
D
L
R
S
L
N
E
E
H
S
K
Q
Y
R
C
L
S
F
Q
P
E
C
S
M
K
L
T
P
L
V
L
E
V
F
G
----
21
PsiBlast_CBE
43.88
96%
-105
- C1 -
1KB6
2
VDR_HUMAN
B:
[6-106]
-------------------------------------------
P
R
I
C
G
V
C
G
D
R
A
T
G
F
H
F
N
A
M
T
C
E
G
C
K
G
F
F
R
R
S
M
K
R
K
A
L
F
T
C
P
F
N
G
D
C
R
I
T
K
D
N
R
R
H
C
Q
A
C
R
L
K
R
C
V
D
I
G
M
M
K
E
F
I
L
T
D
E
E
V
Q
R
K
R
E
M
I
L
K
R
K
E
E
E
A
L
K
D
S
L
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
43.06
96%
-98
- C1 -
1KB4
2
VDR_HUMAN
B:
[7-105]
--------------------------------------------
R
I
C
G
V
C
G
D
R
A
T
G
F
H
F
N
A
M
T
C
E
G
C
K
G
F
F
R
R
S
M
K
R
K
A
L
F
T
C
P
F
N
G
D
C
R
I
T
K
D
N
R
R
H
C
Q
A
C
R
L
K
R
C
V
D
I
G
M
M
K
E
F
I
L
T
D
E
E
V
Q
R
K
R
E
M
I
L
K
R
K
E
E
E
A
L
K
D
S
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
41.17
96%
-99
- C1 -
1KB4
2
VDR_HUMAN
A:
[7-99]
--------------------------------------------
R
I
C
G
V
C
G
D
R
A
T
G
F
H
F
N
A
M
T
C
E
G
C
K
G
F
F
R
R
S
M
K
R
K
A
L
F
T
C
P
F
N
G
D
C
R
I
T
K
D
N
R
R
H
C
Q
A
C
R
L
K
R
C
V
D
I
G
M
M
K
E
F
I
L
T
D
E
E
V
Q
R
K
R
E
M
I
L
K
R
K
E
E
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
40.61
96%
-99
- C1 -
1KB6
2
VDR_HUMAN
A:
[6-99]
-------------------------------------------
P
R
I
C
G
V
C
G
D
R
A
T
G
F
H
F
N
A
M
T
C
E
G
C
K
G
F
F
R
R
S
M
K
R
K
A
L
F
T
C
P
F
N
G
D
C
R
I
T
K
D
N
R
R
H
C
Q
A
C
R
L
K
R
C
V
D
I
G
M
M
K
E
F
I
L
T
D
E
E
V
Q
R
K
R
E
M
I
L
K
R
K
E
E
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
40.32
96%
-103
- C1 -
1KB2
2
VDR_HUMAN
A:
[7-95]
--------------------------------------------
R
I
C
G
V
C
G
D
R
A
T
G
F
H
F
N
A
M
T
C
E
G
C
K
G
F
F
R
R
S
M
K
R
K
A
L
F
T
C
P
F
N
G
D
C
R
I
T
K
D
N
R
R
H
C
Q
A
C
R
L
K
R
C
V
D
I
G
M
M
K
E
F
I
L
T
D
E
E
V
Q
R
K
R
E
M
I
L
K
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
38.26
96%
-92
- C1 -
1KB2
2
VDR_HUMAN
B:
[7-91]
--------------------------------------------
R
I
C
G
V
C
G
D
R
A
T
G
F
H
F
N
A
M
T
C
E
G
C
K
G
F
F
R
R
S
M
K
R
K
A
L
F
T
C
P
F
N
G
D
C
R
I
T
K
D
N
R
R
H
C
Q
A
C
R
L
K
R
C
V
D
I
G
M
M
K
E
F
I
L
T
D
E
E
V
Q
R
K
R
E
M
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------