@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 : Rv2963: (2016-05-15 )
MTSTKVEDRVTAAVLGAIGHALALTASMTWEILWALILGFALSAVVQAVVRRSTIVTLLGDDRPRTLVIATGLGAASSSCSYAAVALARSLFRKGANFTAAMAFEIGSTNLVVELGIILALLMGWQFTAAEFVGGPIMILVLAVLFRLFVGARLIDAAREQAERGLAGSMEGHAAMDMSIKREGSFWRRLLSPPGFTSIAHVFVMEWLAILRDLILGLLIAGAIAAWVPESFWQSFFLANHPAWSAVWGPIIGPIVAIVSFVCSIGNVPLAAVLWNGGISFGGVIAFIFADLLILPILNIYRKYYGARMMLVLLGTFYASMVVAGYLIELLFGTTNLIPSQRSATVMTAEISWNYTTWLNVIFLVIAAALVVRFITSGGLPMLRMMGGSPDAPHDHHDRHDDHLGH
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)
---------------------------MTST
K
V
E
D
R
V
T
A
A
V
L
G
A
I
--
G
H
A
L
A
L
T
A
S
M
T
W
E
-------
I
L
---
W
----------
A
L
I
L
G
F
A
L
S
A
V
V
Q
A
V
V
RR
S
--
T
I
V
T
L
LGDDRP
R
T
L
V
I
A
TGLG-----------------AASSS
C
S
Y
A
A
-------
V
A
L
A
R
S
L
F
RKGA------------N
F
T
A
A
M
---
A
F
EIGS
T
---------
N
L
V
V
E
L
G
I
I
--
L
A
L
L
MG---------WQ
F
T
A
A
E
F-----V-----G
G
P
I
-------
M
I
---
L
----
V
L
A
--------
V
L
F
R
------
L
-
F
V
G
A
R
L
I
D
A
A
R
E
Q
A
E
RGLAGSMEGH
A
A
M
D
-----
M
S
IK-R-E
G
S
----
F
W
R
R
LLSPP
G
F
T
S
I
A
H
V
F
V
M
E
W
L
A
I
L
R
D
--
L
I
L
G
-
L
L
I
A
---------
G
A
I
A
A
W
V
P
E
S
F
W
Q
S
F
F
LANHP
A
W
S
A
V
W
G
P
I
I
----
G
P
I
V
---
A
I
V
S
F
V
C
SIGNV
P
-----------
L
A
-
A
V
-
L
WNG-----GI
S
F
---
G
G
V
I
A
F
I
F
A
----------
D
L
L
I
-----------
L
P
I
L
N
I
Y
R
K
Y
YG
A
R
M
M
L
V
L
L
G
T
F
-
Y
A
S
M
V
V
A
G
Y
--
L
I
E
L
L
F--------GTTNLIP-SQRS
A
T
V
M
T
A
E
I
S
WN---
Y
T
T
W
L
N
-------
V
I
F
-
L
------
V
I
A
--------
A
A
L
V
V
R
F
I
TSGG
L
P
M
-
L
R
MMGGS------PDA-PHDHHDRHDDHLGH--
30
Fugue
89.17
19%
-125
* C6 *
3WDO
-
?
A:
[3-455]
--------------------------D
Y
K
M
T
P
G
E
R
R
A
T
W
G
-
L
G
T
V
--
F
S
L
R
M
L
G
M
F
M
V
L
P
-------
V
L
---
T
T
YGMALQGAS
E
A
L
I
G
I
A
I
G
I
Y
G
L
T
Q
A
V
F
Q
--
I
P
F
G
L
L
S
D
R
I
G
R
K
P
L
I
V
G
G
L
A
-----------------
V
F
A
A
G
S
V
I
A
A
L
SDS
I
W
G
I
I
L
G
R
A
L
Q
G
S
G
A
------------
I
A
A
A
V
M
---
A
L
L
S
D
L
T
---------
R
E
Q
N
R
T
K
A
M
--
A
F
I
G
V
S
---------
F
G
I
T
F
A
I
A
-----
M
-----
V
L
G
P
-------
I
I
---
T
----
H
K
L
--------
G
L
H
A
------
L
-
F
W
M
I
A
I
L
A
T
T
G
I
A
L
T
I
W
V
V
P
N
S
S
T
H
V
L
N
R
-----
E
S
G
M
-
V
-
K
G
S
----
F
-
S
K
V
L
A
E
P
R
L
L
K
L
-
N
F
G
I
M
C
L
H
M
L
L
M
S
--
T
F
V
A
-
L
P
G
Q
---------
L
A
D
A
G
F
P
A
A
E
H
W
K
V
Y
L
A
T
M
L
I
A
F
G
S
V
V
P
F
I
I
----
Y
A
E
V
KRK
M
K
Q
V
F
V
F
C
V
G
L
I
V
-----------
V
A
E
I
V
-
L
W
N
A
QTQ
F
W
Q
L
V
V
---
G
V
Q
L
F
F
V
A
F
----------
N
L
M
E
-----------
A
L
L
P
S
L
I
S
K
E
S
P
A
G
Y
K
G
T
A
M
G
V
Y
-
S
T
S
Q
F
L
G
V
A
--
I
G
G
S
L
G
--------
G
W
I
D
G
M
F
-
D
G
Q
G
V
F
L
A
G
A
M
L
A
A
V
---
W
L
A
V
A
S
T
MKEPP
Y
V
S
S
-
L
------
R
I
E
IPADIAAN
E
A
L
K
V
R
L
L
E
T
E
G
V
K
E
-
V
L
I
A
E
E
E
H
S
A
Y
V
K
I
D
S
-
K
V
T
N
R
F
E
V
E
Q
A
I
R
Q
AL
31
Fugue
87.20
15%
-149
- C3 -
4FLN
1
DEGP2_ARATH
A:
[42-509]
--------------------------------
H
D
A
S
F
L
N
A
V
V
K
V
Y
--
C
T
H
T
A
P
D
Y
S
L
P
W
Q
K
Q
R
Q
F
T
S
T
G
---
S
----------
A
F
M
I
G
D
G
K
L
L
T
N
A
H
C
V
E
H
D
--
T
Q
V
K
V
K
R
R
G
D
D
R
K
--
Y
V
A
K
V
L
-----------------
V
R
G
V
D
C
D
I
A
L
-------
L
S
V
E
S
E
D
F
W
K
G
A
E
P
L
R
L
G
H
LPRLQ
D
S
V
T
V
V
---
G
Y
P
L
G
G
D
---------
T
I
S
V
T
K
G
V
V
--
S
R
I
E
V
T
S
Y
AHG
S
S
D
L
L
G
I
Q
I
D
A
A
-----
I
N
PGNS
G
G
P
A
-------
F
N
DQG
E
----
C
I
G
--------
V
A
F
Q
V
YEN
I
G
Y
-
V
I
P
T
T
V
V
S
H
F
L
T
D
Y
E
R
N
--
G
K
Y
T
G
Y
P
C
L
G
-----
V
L
L
Q
-
K
L
E
N
P
----
A
L
R
E
C
L
K
V
P
T
N
E
G
V
L
V
R
R
V
E
P
T
S
D
A
S
K
V
--
L
K
E
G
D
V
I
V
S
FDD
L
H
V
G
CE
G
T
V
P
F
R
S
S
E
R
I
A
F
R
Y
L
I
S
Q
K
F
A
G
D
I
A
E
I
G
I
I
R
---
A
G
E
H
---
K
K
V
Q
V
V
L
R
P
R
V
H
L
-----------
V
P
-
Y
H
-
I
D
G
G
-----
Q
P
S
Y
I
I
V
A
G
L
V
F
T
P
L
S
----------
E
P
L
I
E
EECEDTIG
L
K
L
L
T
K
A
R
Y
S
V
A
R
F
R
G
E
Q
I
V
I
L
S
Q
V
-
L
A
N
E
V
N
I
G
Y
ED
M
N
N
Q
Q
V
--------
L
K
F
N
G
I
P
-
I
R
N
I
H
H
L
A
H
L
I
D
M
C
K
---
D
----
K
-------
Y
L
V
-
F
------
E
F
E
--------
D
N
Y
V
A
V
L
E
R
E
A
S
N
S
A
-
S
L
C
I
L
K
D
------
Y
G
I
-
P
S
E
R
S
A
D
L
L
E
P
Y
V
D
--
35
Fugue
73.66
16%
-146
- C7 -
2O1S
3
DXS_ECOLI
A:
[3-620]
FDIAKY
P
T
L
A
L
VDS
T
Q
E
L
R
L
LPKES
L
P
K
L
C
D
E
L
R
R
Y
L
L
D
S
V
S
R
S
S
--
G
H
F
A
S
G
L
G
T
V
E
L
T
-------
V
A
---
L
----------
H
Y
V
Y
N
T
P
F
D
Q
L
I
W
D
V
G
H
Q
A
--
Y
P
H
K
I
L
T
G
R
R
D
K
I
G
T
I
R
Q
K
G
G
LHPFPWRGESEYDVLSV
G
H
S
S
T
S
I
S
A
G
-------
I
G
I
A
V
A
A
E
K
E
G
K
------------
N
R
R
T
V
C
---
V
I
G
D
G
A
I
TA
G
M
A
F
E
A
M
N
H
A
G
D
I
R
P
D
M
-
L
V
I
L
N
D
---------
N
E
P
G
T
L
F
E
E
L
GFN
Y
-----
I
G
P
V
DGHD
V
L
G
L
I
---
T
----
T
L
K
N
M
R
D
LK
G
P
Q
F
L
H
------
I
M
T
K
K
G
R
G
Y
E
P
A
L
P
S
Y
S
K
I
F
G
D
W
L
C
E
T
A
A
K
D
NK
L
M
A
I
T
P
A
M
R
-
E
G
S
GM
V
E
F
S
R
K
F
P
D
R
Y
F
D
V
A
I
A
E
Q
H
A
V
T
F
A
A
G
L
A
I
G
G
Y
K
P
I
-
V
A
I
Y
---------
S
T
F
L
Q
R
A
Y
D
Q
V
L
H
D
V
A
I
Q
K
L
P
V
L
F
A
I
D
R
A
G
I
VGAD
G
Q
T
H
---
Q
G
A
F
D
L
S
Y
L
R
C
I
P
E
M
V
I
M
T
P
SD
E
N
E
C
-
R
Q
M
L
Y
T
G
-----
Y
H
Y
N
---
D
G
P
S
A
V
R
Y
P
RGNAVGVELT
P
L
E
K
-----------
L
P
I
G
K
G
I
V
K
R
R
G
E
K
L
A
I
L
N
F
G
T
L
M
P
E
A
A
K
V
A
E
S
--
L
N
A
T
L
V
DMRFVKPL
D
E
A
L
I
L
E
M
A
A
S
H
E
A
L
V
T
V
E
E
N
A
I
MGG
A
G
S
G
V
N
-------
E
V
L
M
A
H
RKP
V
P
V
L
N
--------
I
G
L
P
D
F
F
I
P
Q
G
T
Q
E
E
M
R
A
E
L
G
L
D
------
A
A
G
M
E
A
K
I
K
A
W
L
A
-------
38
Fugue
65.72
16%
-112
* C7 *
4PYM
2
COMT_RAT
A:
[2-218]
------------------------GDT
K
E
Q
R
I
L
R
Y
V
Q
Q
N
A
K
P
G
D
P
--
Q
S
V
L
E
A
I
D
T
Y
C
T
Q
-------
K
E
---
W
----------
A
M
N
V
G
D
A
K
G
Q
I
M
D
A
V
I
R
E
Y
--
S
P
----------
S
L
V
L
E
L
G
----------------------
A
Y
C
G
Y
S
A
-------
V
R
M
A
R
L
L
Q
P
G
A
R
------------
L
L
T
M
E
I
---
N
P
D
C
A
A
I
---------
T
Q
Q
M
L
N
F
A
G
--
L
Q
D
K
V
T
---------
I
L
N
G
A
S
Q
D
-----
L
-----
I
P
Q
L
-------
K
K
---
K
YDVD
T
L
D
--------
M
V
F
L
------
D
-
H
W
K
D
R
Y
L
P
D
T
L
L
L
E
K
C
G
L
L
R
K
G
T
V
L
L
A
D
N
-----
V
I
V
P
-
G
-
T
P
D
----
F
L
A
Y
V
R
G
S
S
S
F
E
C
T
H
Y
S
S
Y
L
E
Y
M
K
-
V
V
D
--
G
L
E
K
-
A
I
Y
Q
---------
G
P
S
S
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
64.81
17%
-133
- C7 -
5FHR
3
COMT_RAT
A:
[1-213]
------------------------------
D
T
K
E
Q
R
I
L
R
Y
V
Q
Q
N
A
KP
G
D
P
Q
S
V
L
E
A
I
D
T
Y
-------
C
T
Q
KE
W
----------
A
M
N
V
G
D
A
K
G
Q
I
M
D
A
V
I
R
E
Y
SP
S
L
V
L
E
L
G
----------------------------------
A
Y
C
G
Y
S
A
-------
V
R
M
A
R
-
L
L
Q
P
G
A
------------
R
L
L
T
M
E
MN
P
D
Y
A
A
I
T
Q
---------
Q
M
L
N
F
A
G
L
Q
DK
V
T
I
L
N
G
---------
A
S
Q
D
L
I
P
Q
-----
L
-----
K
K
K
Y
-------
D
V
---
D
----
T
L
D
--------
M
V
F
L
------
D
-
H
W
K
D
R
Y
L
P
D
T
L
L
L
E
K
C
G
L
L
R
K
G
T
V
L
L
A
D
N
-----
V
I
V
P
-
G
-
T
P
D
----
F
L
A
Y
V
R
G
S
S
S
F
E
C
T
H
Y
S
S
Y
L
E
L
M
K
V
V
D
G
--
L
E
K
A
-
I
Y
Q
G
---------
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
Fugue
58.38
13%
-124
- C6 -
4TQU
-
?
N:
[2-284]
---------------------------
L
A
T
P
F
Y
S
R
S
D
R
I
F
G
I
V
N
A
--
V
L
L
G
I
F
A
L
C
A
L
Y
P
-------
I
I
---
Y
----------
I
F
S
M
S
I
S
S
G
A
A
V
T
-----------------
Q
G
R
V
F
L
L
P
V
D
I
D
-----------------
F
------------------
S
A
Y
G
R
V
L
H
D
K
------------
L
F
W
T
S
Y
---
A
N
T
I
F
Y
T
---------
V
F
G
V
V
T
S
L
I
--
F
I
V
P
G
A
---------
Y
A
L
S
K
P
R
I
-----
R
-----
G
--
R
-------
R
V
---
F
----
G
F
I
--------
I
A
F
T
------
M
-
W
F
N
A
G
M
I
P
F
F
L
N
M
R
D
L
G
L
L
D
N
R
F
G
I
L
I
G
F
-----
A
C
-------
N
----
A
F
N
I
I
L
M
R
N
Y
F
E
S
I
S
A
-----------
S
--
F
E
E
A
-
A
R
M
D
---------
G
A
---------------
N
D
L
Q
I
L
W
K
V
Y
I
P
L
A
----
K
P
A
L
---
A
T
I
T
L
L
C
A
I
S
R
W
N
---------------------------------------------------------------------------
G
Y
F
W
A
M
V
L
L
R
A
E
E
K
I
-
P
L
Q
V
Y
L
K
K
T
--
I
V
D
-------------------
L
N
V
N
E
E
F
A
G
A
L
L
T
N
S
---
Y
S
M
E
T
V
-------
V
G
A
-
I
------
I
V
M
--------
S
I
I
P
V
I
I
V
Y
P
V
V
Q
K
Y
-
F
T
K
------------------------------
18
PsiBlast_PDB
55.65
26%
-19
- C5 -
4Q9I
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
55.49
26%
-11
- C5 -
4KSB
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
55.25
26%
-26
- C5 -
4M1M
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
55.17
26%
-18
- C5 -
4Q9H
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
55.15
26%
-8
- C5 -
4LSG
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
55.07
26%
-7
- C5 -
3G5U
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
55.05
26%
-21
- C5 -
4Q9J
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
54.94
26%
-3
- C5 -
4KSC
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
54.93
26%
-10
- C5 -
3G61
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
54.77
26%
-14
- C5 -
4Q9K
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
54.70
26%
-10
- C5 -
3G60
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
54.60
26%
-32
- C5 -
4M2S
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
54.06
26%
-24
- C5 -
4M2T
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
54.05
26%
-6
- C5 -
4KSD
-
MDR1A_MOUSE
A:
[842-912]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
I
I
--
I
S
L
I
Y
G
---------
W
Q
L
T
L
L
L
L
-----
A
-----
I
V
P
I
-------
I
A
---
I
----
A
G
V
--------
V
E
M
K
------
M
-
L
S
G
Q
A
L
K
D
K
K
E
L
E
G
S
G
K
I
A
T
E
A
I
E
N
F
R
T
V
-----
V
S
L
T
-
R
-
E
Q
K
----
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------