@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 : NTCP7_HUMAN: (2015-12-08 )
MRLLERMRKDWFMVGIVLAIAGAKLEPSIGVNGGPLKPEITVSYIAVATIFFNSGLSLKTEELTSALVHLKLHLFIQIFTLAFFPATIWLFLQLLSITPINEWLLKGLQTVGCMPPPVSSAVILTKAVGGNEAAAIFNSAFGSFLGIVITPLLLLLFLGSSSSVPFTSIFSQLFMTVVVPLIIGQIVRRYIKDWLERKKPPFGAISSSVLLMIIYTTFCDTFSNPNIDLDKFSLVLILFIIFSIQLSFMLLTFIFSTRNNSGFTPADTVAIIFCSTHKSLTLGIPMLKIVFAGHEHLSLISVPLLIYHPAQILLGSVLVPTIKSWMVSRQKKLLQTRGPLANLNNPEGLEYLSIKFGH
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......-------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------------------------------------------------
M
R
L
L
E
R
M
R
K
D
W
--
F
M
V
G
I
V
L
A
I-----AGAKLEPS----IGV----NGGP-------LK
P
E
I
T
V
S
Y
I
---
A
V
A
T
I
F
FN---------SGL
S
----------
L
K
T
E
-------
E
L
T
S
A
L
V
H
L
------
K
L
H
L
F
----
I
Q
I
F
T
L
A
F
-------------------
F
P
A
T
I
W
L
F
----------
L
Q
L
L
SIT
P
I
-----------
N
E
W
L
L
K
G
L
----------
Q
TVGCMPPPVS
S
A
V
I
L
T
K
---------AVGG
N
E
A
--
A
A
I
F
N
S
A
F
G
S
F
L
G
I
V
I
T
P
L
L
L
L
L
F
LGSSSSV
P
F
T
----
S
I
F
S
Q
L
F
M
T
--
V
V
V
P
L
I
I
G
Q
I
V
R
R
Y
I
K
D
W
L
ERKKP--PFG
A
I
S
S
S
V
L
L
M
I
I
Y
T
T
-------
F
C
DTFSN---------PNI
D
L
---
D
--
K
F
S
L
V
L
I
L
F
I
------
I
F
S
I
Q
L
S
F
M
L
L
T
F
I
F
ST-RNNSGF-TPA
D
-----
T
V
A
I
---
I
F
----CS-THK
S
L
T
LG
I
P
M
L
------
K
I
VFAGHE
H
L
S
L
ISV
P
-----------------
L
L
I
YH
P
A
Q
I
L
L
G
S
V
L
-
V
P
T
I
K
S
------------
W
-----
M
V
S
---
R
--
Q
K
K
L
L
Q
TRG----PLANLNNPEG
L
E
Y
L
S
I
KFGH-------------------
32
Fugue
81.91
17%
-137
- C3 -
4R33
4
?
A:
[35-418]
-----------------------------------------------------------------
G
D
F
--
V
L
P
E
L
E
D
V
R
-----
A
E
A
A
T
V
D
T
----
R
A
V
----
L
A
L
A
-------
E
G
E
E
P
A
E
S
R
A
---
A
V
A
L
A
L
W
E
---------
D
R
-
S
----------
I
G
T
A
-------
E
L
Q
A
A
A
E
A
R
C
GARRP
R
L
H
T
F
----
V
P
L
Y
T
T
N
Y
-------------------
C
D
S
E
C
K
M
C
SMRKGNHRLD
R
K
F
S
G
R
K
E
I
-----------
T
E
Q
L
E
I
L
Y
----------
H
H
E
G
-----
V
R
G
V
G
F
L
T
G
---------
E
Y
E
D
K
H
T
R
L
A
S
A
F
R
I
G
W
A
I
R
T
A
L
D
L
G
F
E
R
V
Y
F
N
I
G
S
M
E
Q
D
E
I
D
----
V
L
G
E
W
I
G
R
E
DP
V
T
M
C
V
F
Q
E
S
Y
D
R
E
T
Y
R
R
F
M
G
K
T
S
V
GV
P
K
A
D
F
D
R
R
V
V
S
F
D
R
W
L
D
-------
A
G
Y
R
Y
V
N
---------
P
G
V
L
V
GLH
D
--
D
L
S
A
E
L
V
S
L
V
------
A
H
G
D
H
L
R
S
R
G
A
T
A
D
L
S
V
P
R
M
R
P
A
M
-
K
S
R
D
-----
T
T
R
V
G
D
D
D
Y
----
L
R
-
L
M
S
V
V
A
F
T
C
P
E
Q
------
R
L
V
L
T
T
R
E
P
Q
E
F
Q
D
V
A
-----------------
L
G
L
--
A
G
V
I
S
P
G
S
P
D
-
V
A
P
Y
R
A
GCEARNDEKSSQ
F
-----
L
V
A
DLR
R
--
P
R
H
I
L
G
R
I
E
A
S
G
T
P
V
D
H
F
V
N
P
A
G
E
A
S
R
-------------------------
35
Fugue
77.28
20%
-125
- C2 -
4Q0C
-
BVGS_BORPE
A:
[66-578]
S
Q
E
L
T
LVGKA
A
V
P
D
V
EVALDGD
D
W
R
W
L
A
R
K
R
V
L
T
L
G
V
Y
A
PDIPPF
D
V
T
Y
GE
R
Y
E
G
L
T
A
D
Y
M
A
I
I
A
H
N
L
--
G
M
Q
A
K
V
L
R
Y
PT
R
E
Q
A
L
S
A
L
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S
G
QID
L
I
G
T
VN
G
T
D
G
R
Q
-------
Q
S
L
R
L
S
V
P
Y
A
---
A
D
H
P
V
I
V
M
P
IGARHVPA
S
N
L
A
G
Q
R
L
A
V
DINY
L
P
K
E
-------
T
L
A
R
A
Y
P
Q
A
------
T
L
H
Y
F
PS
S
E
Q
A
L
A
A
V
A
Y
-------------------
G
Q
A
D
V
F
I
G
----------
D
A
L
T
T
S
H
L
V
-----------
S
Q
S
Y
F
N
D
V
----------
R
V
V
A
P
A
H
I
A
T
G
G
E
S
F
G
V
R
---------
A
-
D
N
T
R
L
--
L
R
V
V
N
A
V
L
E
A
I
P
P
S
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H
R
S
L
I
Y
R
W
G
L
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S
I
S
L
D
F
A
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P
A
Y
S
A
R
E
Q
Q
W
M
A
--
D
H
-
P
V
V
K
V
A
V
L
N
L
F
A
P
F
T
L
F
R
T
D
E
--
Q
F
G
G
I
S
A
A
V
L
Q
L
L
Q
L
R
T
G
L
D
F
E
I
I
G
V
D
T
V
E
E
---------
L
I
A
K
L
---
R
S
G
E
A
D
M
A
G
A
L
F
V
NSARES
F
L
S
F
S
R
P
Y
V
R
N
G
M
V
I
V
T
-
R
Q
D
P
D
A
P
V
D
A
D
HLDG
R
T
V
A
L
---
V
R
----
N
S
A
A
I
P
L
L
Q
R
R
Y
P
Q
A
------
K
V
V
T
A
D
N
P
S
E
A
M
L
M
V
A
N
GQAD
A
V
V
Q
T
Q
I
S
A
S
Y
Y
V
N
R
Y
F
A
G
K
L
R
I
A
S
A
L
D
L
P
P
A
E
I
------------
A
-----
L
A
T
---
T
RG
Q
T
E
L
M
S
I
L
N
----
K
A
L
Y
S
I
S
N
D
E
L
A
S
I
I
S
R
W
R
G
S
D
G
D
P
R
T
W
Y
A
Y
R
N
E
I
Y
L
E-
31
Fugue
73.83
19%
-138
- C4 -
3ZUY
8
?
A:
[2-309]
-------------------------------------------------------N
I
L
S
K
I
S
S
F
I
G
K
T
--
F
S
L
W
A
A
L
F
A
-----
A
A
A
F
F
A
P
D
----
T
F
-------
K
W
-------
A
G
P
Y
I
P
---
W
---
L
L
G
I
I
M
F
G
---------
M
G
L
T
----------
L
K
P
S
-------
D
F
D
I
L
F
K
H
P
------
K
V
V
I
I
----
G
V
I
A
Q
F
A
I
-------------------
M
P
A
T
A
W
L
L
----------
S
K
L
L
N
L
--------------
P
A
E
I
A
V
G
V
----------
I
L
V
G
C
C
P
G
G
T
A
S
N
V
M
T
Y
L
---------
A
-
R
G
N
V
A
--
L
S
V
A
V
T
S
V
S
T
L
I
S
P
L
L
T
P
A
I
F
L
M
L
A
G
E
M
L
E
I
Q
A
A
----
G
M
L
M
S
I
V
K
M
--
V
L
L
P
I
V
L
G
L
I
V
H
K
V
L
G
S
K
T
E
K
L
T
D
--
A
L
P
L
V
S
V
A
A
I
V
L
I
I
G
A
V
-------
V
G
A
S
K
G
K
---------
I
M
E
S
G
---
L
--
L
I
F
A
V
V
V
L
H
N
------
G
I
G
Y
L
L
G
F
F
A
A
K
W
T
--------
G
L
-
P
Y
D
A
-----
Q
K
T
L
---
T
I
----
E
V
-
G
M
Q
N
S
G
L
A
A
A
L
A
------
A
A
H
F
A
A
A
---
P
V
V
A
V
P
-----------------
G
A
L
F
S
V
W
H
N
I
S
G
S
L
L
-
A
T
Y
W
A
A
------------
K
-----
A
------------------------------------------------------------
12
PsiBlast_PDB
65.46
28%
-163
- C4 -
4LSG
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
PY
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
A
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
9
PsiBlast_PDB
65.45
28%
-163
- C4 -
4KSD
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
PY
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
7
PsiBlast_PDB
64.88
28%
-162
- C4 -
4KSB
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
PY
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
19
PsiBlast_PDB
64.78
28%
-146
- C4 -
4M2S
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
P
Y
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
20
PsiBlast_PDB
64.75
28%
-143
- C4 -
4M2T
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
P
Y
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
8
PsiBlast_PDB
64.11
28%
-163
- C4 -
4KSC
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
PY
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
14
PsiBlast_PDB
63.79
28%
-137
- C4 -
4Q9I
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
P
Y
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
17
PsiBlast_PDB
63.62
28%
-137
- C4 -
4Q9L
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
P
Y
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
15
PsiBlast_PDB
63.55
28%
-140
- C4 -
4Q9J
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
P
Y
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
10
PsiBlast_PDB
63.38
28%
-156
- C4 -
3G60
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
PY
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
16
PsiBlast_PDB
62.79
28%
-136
- C4 -
4Q9K
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
P
Y
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
13
PsiBlast_PDB
62.48
28%
-137
- C4 -
4Q9H
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
P
Y
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
33
Fugue
62.46
14%
-118
- C3 -
3TJZ
-
COPG1_BOVIN
B:
[20-311]
-------------------------------------------------------------
Q
H
L
E
K
S
A
--
V
L
Q
E
A
R
V
---------------------
F
----
N
E
T
P
-------
I
N
P
R
K
C
A
H
I
L
---
T
K
I
L
Y
L
I
N
---------
Q
G
E
H
----------
L
G
T
T
-------
E
A
T
E
A
F
F
A
M
------
T
-
K
L
F
----
Q
S
--
N
D
P
T
-------------------
L
R
R
M
C
Y
L
T
----------
I
K
E
M
S
--------------------
C
I
A
----------
E
D
V
I
I
V
T
S
S
L
T
K
D
M
T
G
K
E
---------
D
S
Y
R
G
P
A
--
V
R
A
L
C
Q
I
T
D
S
T
M
L
Q
A
I
E
R
Y
M
K
Q
A
I
V
D
K
V
P
S
V
S
S
S
----
A
L
V
S
S
L
H
L
L
----------
K
C
S
F
D
V
V
K
R
W
V
N
E
A
Q
E
--
A
---
A
S
S
D
-------------------------------------------------------------
N
I
M
V
Q
Y
H
A
L
G
L
L
Y
H
V
-
R
K
N
D
R
L
-
A
V
S
K
-----
M
I
S
K
---
F
T
----
R
H
-
G
L
K
S
P
F
A
Y
C
M
M
I
------
R
V
A
S
R
Q
S
---------------------------
C
L
R
N
K
H
E
M
V
V
Y
E
A
A
-
S
A
I
V
N
A
-------------------
V
S
---
V
--
L
Q
L
F
C
S
S
P
K
----
A
--------
A
L
R
Y
A
A
V
R
T
L
--------------------
11
PsiBlast_PDB
62.27
28%
-156
- C4 -
3G61
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
PY
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
C
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
18
PsiBlast_PDB
60.99
28%
-155
- C4 -
3G5U
-
MDR1A_MOUSE
A:
[695-832]
----------------------------------------------------------
R
I
L
K
L
N
S
T
E
W
PY
F
V
V
G
I
F
C
A
I
-------------------
I
----
N
G
G
--------
L
Q
P
A
F
S
V
I
F
S
---
K
V
V
G
V
F
T
N
---------
G
G
-
P
----------
P
E
T
Q
-------
R
Q
N
S
N
L
F
S
L
---------
L
F
----
L
I
L
G
I
I
S
F
-----------------------
I
T
F
F
----------
L
Q
G
F
T
F
G
K
A
-----------
G
E
I
L
T
K
R
L
R
Y
M
V
F
K
S
M
L
R
Q
D
V
S
W
F
D
D
P
K
N
T
T
G
A
L
T
T
---------
R
L
-
A
N
D
A
--
A
Q
V
-
K
G
A
T
G
S
R
L
A
V
I
F
Q
N
I
A
N
L
G
T
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
E
---
T
--
M
Y
A
Q
S
L
Q
I
P
Y
------
R
N
A
M
K
K
A
H
V
F
G
I
T
F
S
F
T
-
Q
A
M
M
Y
F
-
S
Y
A
A
-----
A
F
R
F
---
G
A
----
Y
L
-
V
T
Q
Q
L
M
T
F
E
N
V
L
------
L
V
F
S
A
I
V
F
G
A
M
A
V
G
Q
V
-----------------
S
S
F
A
P
D
Y
A
K
A
T
V
S
A
S
-
H
I
I
R
I
I
------------
E
-----
K
T
P
---
E
--
I
D
S
Y
S
T
Q
G
L
----
K
P
N
M
L
E
G
N
V
Q
F
S
G
V
V
F
N
Y
P
T
-------------------
39
Fugue
60.10
13%
-105
- C3 -
3MK7
4
CCON1_PSEST
A:
[5-470]
------------------------------------------------TSTAYSY
K
V
V
R
Q
F
A
I
M
T
V
V
W
--
G
I
V
G
M
G
L
G
V
-----
F
I
A
A
Q
L
A
W
----
P
F
L
----
N
F
D
L
PWTS
F
G
R
L
R
P
L
H
T
N
A
V
I
F
A
F
G
G
C
A
L
F
A
T
---------
S
Y
Y
S
----------
V
Q
R
T
CQTTLFA
P
K
L
A
A
F
T
F
W
------
G
W
Q
L
V
----
I
L
L
A
A
I
S
L
P
L
GFTSSKEYAELE
W
P
I
D
I
L
I
T
I
V
W
V
A
----------
Y
A
V
V
F
F
G
T
L
A
K
RKVKHIY
V
G
N
W
F
F
G
A
F
I
----------
L
T
V
A
I
L
H
V
V
N
N
L
E
I
P
V
T
A
M
K
S
Y
S
LYAG
A
T
D
A
M
V
Q
--
W
W
Y
G
H
N
A
V
G
F
F
L
T
A
G
F
L
G
I
M
Y
Y
F
V
P
K
Q
A
E
R
P
V
Y
S
----
Y
R
L
S
I
V
H
F
W
--
A
L
I
T
V
Y
I
W
A
G
P
H
H
L
H
Y
T
A
L
P
D
W
A
Q
--
S
L
G
M
V
M
S
L
I
L
L
A
P
S
W
G
G
-------
M
I
N
G
M
M
T
L
SGA
W
H
K
L
R
S
D
P
I
L
---
R
--
F
L
V
V
S
L
A
F
Y
G
------
M
S
T
F
E
G
P
M
M
A
I
K
T
V
N
A
L
-
S
H
Y
T
D
W
-
T
I
G
H
-----
V
H
A
G
---
A
L
GW
V
A
M
V
-
S
I
G
A
L
Y
H
L
V
P
K
V
FGREQM
H
S
I
G
L
I
N
T
H
F
W
L
A
T
I
G
-----------------
T
V
L
Y
I
A
S
M
W
V
N
G
I
A
Q
-
G
L
M
W
R
A
------------
I
NDDGT
L
T
Y
---
S
--
F
V
E
S
L
E
A
S
H
----
P
G
F
V
V
R
M
I
G
G
A
I
F
F
A
G
M
L
V
M
A
Y
N
T
W
R
T
V
Q
AAKPAEYDAA
1
PsiBlast_PDB
55.62
25%
-120
- C4 -
3ZUY
6
?
A:
[47-207]
-----------------------------------------------------------------------------------------------------------------------------------
I
M
F
G
---------
M
G
L
T
----------
L
K
P
S
-------
D
F
D
I
L
F
K
H
P
------
K
V
V
I
I
----
G
V
I
A
Q
F
A
I
-------------------
M
P
A
T
A
W
L
L
----------
S
K
L
L
N
L
-
P
A
-----------
E
--
I
A
V
G
V
----------
I
L
V
G
C
C
P
G
G
T
A
S
N
V
-
M
T
Y
---------
L
A
R
G
N
V
A
--
L
S
V
A
V
T
S
V
S
T
L
I
S
P
L
L
T
P
A
I
F
L
M
L
A
G
E
M
L
E
I
Q
A
A
----
G
M
L
M
S
I
V
K
M
--
V
L
L
P
I
V
L
G
L
I
V
H
K
V
L
G
S
K
T
E
K
L
T
D
--
A
L
P
L
V
S
V
A
A
I
V
L
I
I
G
A
V
-------
V
G
A
S
K
G
K
---------
I
M
E
S
G
---
L
--
L
I
F
A
V
V
V
L
H
N
------
G
I
G
Y
L
L
G
F
F
A
A
K
W
T
G
L
P
-
Y
D
A
Q
K
T
-
L
T
I
E
-----
V
G
M
Q
---
N
S
----
G
L
-
A
A
A
L
A
A
A
H
F
A
A
A
------
P
V
V
A
V
P
G
A
L
F
S
V
W
H
N
I
-----------------
S
G
S
L
L
A
T
Y
W
A
A
K
A
----------------------------------------------------------------------------------------