@TOME V2.3
(Nov 2016)
Ref.
-
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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 : PA0860: (2016-01-22 )
MSERGDRLSWAEIRRLALRHKKALLFANLVAVLATLCTVPIPLLLPLLVDEVLLGKGDGALRFMDRLLPADWQVAFGYIGLMLAATLLLRGAALVFNVLQAKLFARLSKDIVYRIRLRLIERLRHIALGEYETLGGGSISAHLVTDLDTLDKFVGETLSRFLVALLTLLGTAAILVWMHWQLALLILLFNPLVIWSTVQLGKRVKHLKKLENDSTARFTQALTETLEAIQEVRAGNRQGYFLGRLGHRAQEVRDYAVASQWKSDAAGRASGLLFQFGIDVFRAAAMLTVLLSDLSIGQMLAVFSYLWFMIGPVEQLLGLQYAYYAAGGALQRINELLARADEPRYPPLRDPFAGRTTVGIEVRGLDFAYGEDKVLEQLDLNIGAGEKVALVGASGGGKSTLVQLLLGLYSAQRGSIRYGGVPLEEIGLDCVREHVAVVLQHPALFNDSVRANLTMGRERSDQACWRALEIAQLADGVRRLPQGLDTVVGRSGVRLSGGQRQRLAIARMILAEPKVVILDEATSALDAATEYALHQALGDFLEGRTTLIVAHRLSAVKQADRVLVFDGGHIAEDGDHQQLIAEGGLYARLYGHLQQM
Atome Classification :
(28 SA)
----------------------------------------------.........10....---.---...20........30..-......40........50........60........70.---......-.--80........90........100.......110.......120.......130.......140.......150.......160.......170.......-180.......190.......200.......210.......220.......230..-----------.....240..-.....250.......260.......270.-.--..-...280.......290--.-----------.......300......------.310.......320.......330.......340.......350--.---......-360--.----........---370-.---..---......380.......390.......400.......410.......420.......430.......440.......450.....--.-.----460........470.......480.......490.......500.......510.......520.......530.......540-........550.......560.......570.......580-.......590....------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------------------------------------------MSERGDRL
S
W
A
E
I
R
R
---
L
---
A
L
R
H
K
K
A
L
L
F
A
N
L
V
A
V
L
-
A
T
L
CTV
P
I
P
L
L
L
P
L
L
V
D
E
V
LLGKG
D
G
A
L
R
F
M
D
R
LLPAD
W
---
Q
V
A
F
G
Y
-
I
--
G
L
M
L
A
A
T
L
L
L
R
G
A
A
L
V
F
N
V
L
Q
A
K
L
F
A
R
L
S
K
D
I
V
Y
R
I
R
L
R
L
I
E
R
L
R
H
I
ALGEYETLGGG
S
I
S
A
H
L
VT
D
L
D
T
L
D
K
F
V
G
E
T
L
S
R
F
L
V
A
L
L
T
L
L
G
T
A
A
I
L
V
W
M
H
-
W
Q
L
A
L
L
I
L
LFN
P
L
V
I
W
S
T
V
Q
L
G
K
R
V
K
H
L
K
K
LEND
S
T
A
R
F
T
Q
A
L
T
E
T
L
E
A
I
Q
E
V
RA-----------GNRQ
G
Y
F
L
G
R
-LG
H
R
A
Q
E
V
R
D
Y
A
V
A
S
Q
WKSDAAGRAS
G
L
L
-
F
--
Q
F
-
G
I
D
V
F
R
A
A
A
M
L
T
V
L
L
---
S
-----------DL
S
I
G
Q
M
L
A
V
F
S
Y
L
W
F
------
M
I
G
P
V
E
Q
L
L
G
L
Q
Y
A
Y
YAAG
G
A
L
Q
R
I
N
E
L
L
A
RADEPRYPPLRDPF--A---GR
T
T
V
G
-
I
----
E
----
V
RGLDFAY---G---
E
---
D
K
---
V
L
E
Q
LDLNIGAG
E
K
V
A
L
V
GASGG
G
K
S
T
L
V
Q
L
L
L
G
L
Y
SAQRG
S
I
RYGGV
P
L
E
E
I
G
L
D
C
V
R
E
H
V
A
V
V
L
QHPALFNDSV
R
A
N
L
TMGR--E-R----
S
-
D
Q
A
C
W
R
A
L
E
I
A
Q
L
A
D
G
V
R
R
L
P
Q
G
L
D
T
V
VGRS
G
V
RLSGG
Q
R
Q
R
L
A
I
A
R
M
I
LAEP
K
V
V
I
LDEA
T
S
A
L
D
A
A
T
E
Y
A
L
H
Q
A
L
G
D
F
L--EG
R
T
T
L
I
V
A
H
R
L
S
A
V
KQA
D
R
V
L
V
FDGGHIAEDG
D
H
Q
Q
L
I
A
E-GG
L
Y
A
R
L
Y
G
H
L
QQM------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
88.41
29%
-113
- C2 -
3B60
2
MSBA_SALTY
A:
[10-576]
-------------------------------------------------------
W
Q
T
F
R
R
---
L
W
P
T
I
A
P
F
K
A
G
L
I
V
A
G
I
A
L
I
L
N
A
A
S
D
T
F
M
L
S
L
L
K
P
L
L
D
D
G
--
F
G
K
T
D
R
S
V
L
L
--------
W
----
M
P
L
V
V
-
I
--
G
L
M
I
-----
L
R
G
---
I
T
S
Y
I
S
S
Y
C
I
S
W
V
S
G
K
V
V
M
T
M
R
R
R
L
F
G
H
M
M
G
M
P
V
A
F
F
D
K
Q
S
T
G
T
L
L
S
R
I
T
Y
D
S
E
Q
V
A
S
S
S
S
G
A
L
I
T
V
V
R
E
G
A
S
I
I
G
L
F
I
M
M
F
Y
Y
S
-
W
Q
L
S
I
I
L
V
V
L
A
P
I
V
S
I
A
I
R
V
V
S
K
R
F
R
S
I
S
K
N
M
Q
N
T
M
G
Q
V
T
T
S
A
E
Q
M
L
K
G
H
K
E
V
L
I
-----------
F
G
G
Q
E
V
E
T
K
R
-
F
D
K
V
S
N
K
M
R
L
Q
G
M
K
M
V
S
A
S
S
I
S
D
P
I
I
Q
L
I
-
A
--
S
L
-
A
L
A
F
V
L
Y
A
A
S
F
P
S
V
M
---
D
-----------
S
L
T
A
G
T
I
T
V
V
F
S
S
M
I
A
------
L
M
R
P
L
K
S
L
T
N
V
N
A
Q
F
Q
R
G
M
A
A
C
Q
---
T
L
F
A
I
L
D
S
E
Q
E
K
D
E
G
K
R
V
--
I
---
D
R
A
T
G
D
-
L
----
E
----
F
R
N
V
T
F
T
Y
---
P
GR-
E
---
V
P
---
A
L
R
N
I
N
L
K
I
P
A
G
K
T
V
A
L
V
G
R
S
G
S
G
K
S
T
I
A
S
L
I
T
R
F
Y
D
I
D
E
G
H
I
L
M
D
G
H
D
L
R
E
Y
T
L
A
S
L
R
N
Q
V
A
L
V
S
Q
N
V
H
L
F
N
D
T
V
A
N
N
I
A
Y
A
R
TE
E
-
Y
----
S
-
R
E
Q
I
E
E
A
A
R
M
A
Y
A
M
D
F
I
N
K
M
D
N
G
L
D
T
I
I
G
E
N
G
V
L
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
L
R
D
S
P
I
L
I
L
D
E
A
T
S
A
L
D
T
E
S
E
R
A
I
Q
A
A
L
D
E
L
Q
--
K
N
R
T
S
L
V
I
A
H
R
L
S
T
I
E
Q
A
D
E
I
V
V
V
E
D
G
I
I
V
E
R
G
T
H
S
E
L
L
A
Q
-
H
G
V
Y
A
Q
L
H
K
M
Q
F
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
106
Fugue
85.97
27%
-124
- C2 -
4F4C
3
PGP1_CAEEL
A:
[4-1306]
N
G
S
L
R
Q
S
L
R
T
L
D
S
F
SLA
P
E
D
V
L
K
T
A
I
K
T
V
E
D
Y
EGDNIDSNG
E
I
K
I
T
R
D
E
V
V
N
K
V
S
I
P
Q
L
Y
R
---
Y
---
T
T
T
L
E
K
L
L
L
F
I
G
T
L
V
A
V
-
I
T
G
A
G
L
P
L
M
S
I
L
Q
G
K
V
S
Q
A
F
I
N
E
Q
I
V
I
N
N
N
G
S
T
F
L
P
T
G
Q
NYT
K
T
D
F
E
H
D
V
--
M
N
V
V
W
S
Y
A
A
M
T
V
G
M
W
A
A
G
Q
I
T
V
T
C
Y
L
Y
V
A
E
Q
M
N
N
R
L
R
R
E
F
V
K
S
I
L
R
Q
E
I
S
W
F
D
T
N
H
S
G
T
L
A
T
K
L
F
D
N
L
E
R
V
K
E
G
T
G
D
K
I
G
M
A
F
Q
Y
L
S
Q
F
I
T
G
F
I
V
A
F
T
H
S
-
W
Q
L
T
L
V
M
L
A
V
T
P
I
Q
A
L
C
G
F
A
I
A
K
S
M
S
T
F
A
I
R
E
T
L
R
Y
A
K
A
G
K
V
V
E
E
T
I
S
S
I
R
T
V
V
S
-----------
L
N
G
L
R
Y
E
L
E
R
-
Y
S
T
A
V
E
E
A
K
K
---
A
G
V
L
K
G
L
F
L
G
I
S
F
G
A
M
-
Q
--
A
S
-
N
F
I
S
F
A
L
A
F
Y
I
G
V
G
W
V
H
D
G
-----------
S
L
N
F
G
D
M
L
T
T
F
S
S
V
M
M
------
G
S
M
A
L
G
L
A
G
P
Q
L
A
V
L
G
T
A
Q
G
A
A
S
G
I
Y
E
V
L
D
R
K
P
V
I
D
S
S
S
K
A
G
R
K
--
D
---
M
K
I
K
G
D
-
I
----
T
----
V
E
N
V
H
F
T
Y
---
P
---
S
---
R
P
DVP
I
L
R
G
M
N
L
R
V
N
A
G
Q
T
V
A
L
V
G
S
S
G
C
G
K
S
T
I
I
S
L
L
L
R
Y
Y
D
V
L
K
G
K
I
T
I
D
G
V
D
V
R
D
I
N
L
E
F
L
R
K
N
V
A
V
V
S
Q
E
P
A
L
F
N
C
T
I
E
E
N
I
S
L
G
K
--
E
G
I
----
T
-
R
E
E
M
V
A
A
C
K
M
A
N
A
E
K
F
I
K
T
L
P
N
G
Y
N
T
L
V
G
D
R
G
T
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
S
E
G
I
V
Q
Q
A
L
D
K
A
A
--
K
G
R
T
T
I
I
I
A
H
R
L
S
T
I
R
N
A
D
L
I
I
S
C
K
N
G
Q
V
V
E
V
G
D
H
R
A
L
M
A
Q
-
Q
G
L
Y
Y
D
L
V
T
A
Q
T
F
T
D
A
V
D
S
A
A
E
GER
I
G
K
D
A
L
S
R
L
K
Q
E
L
E
ENNAQKTN
L
F
E
I
L
Y
H
A
RPH
A
L
S
L
F
I
G
M
S
T
A
T
I
G
G
F
I
Y
P
T
Y
S
V
F
F
T
S
F
M
N
V
F
AGNPADFL
S
Q
G
H
F
W
A
L
M
F
L
V
L
A
A
A
Q
G
I
C
S
F
L
M
T
F
F
M
G
I
A
S
E
S
L
T
R
D
L
R
N
K
L
F
R
N
V
L
S
QHIGFFDSPQNA
S
G
K
I
S
T
R
L
A
T
D
V
P
N
L
R
T
A
I
D
F
R
F
S
T
V
I
T
T
L
V
S
M
V
A
G
I
G
L
A
F
F
Y
G
W
Q
M
A
L
L
I
I
A
I
L
P
I
V
A
F
G
Q
Y
L
R
G
RRFTGKNVKSA
S
E
F
A
D
S
G
K
I
A
I
E
A
I
E
N
V
R
T
V
Q
A
L
AR
E
D
T
F
Y
E
N
F
C
E
K
L
D
I
P
H
K
E
A
I
K
E
A
F
I
Q
G
L
S
Y
G
C
A
S
S
V
L
Y
L
L
N
T
C
A
Y
R
M
G
L
A
L
I
I
TDPPTMQ
P
M
R
V
L
R
V
M
Y
A
I
T
I
S
T
S
TLGFAT
S
Y
F
P
E
Y
A
K
A
T
F
A
G
G
I
I
F
G
M
L
R
KISKIDSLSLAGEKKKLYGK
V
I
F
K
N
V
R
F
A
Y
PERPEIEILK
G
L
S
F
S
V
E
PG
Q
T
L
A
L
V
G
P
S
GCGKST
V
V
A
L
L
E
RFYDTL
G
G
E
I
F
I
DGSEIKTLN
P
E
H
T
R
S
Q
I
A
I
V
S
Q
E
P
T
L
F
DCS
I
A
E
N
I
I
YGLDPSSVT
M
A
Q
V
E
E
A
A
R
L
A
NI
H
N
F
I
A
E
LPEGFETRVGDRGTQLS
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
NPK
I
L
L
L
D
EATSALDT
E
S
E
K
V
V
Q
E
A
L
D
R
A
R
EG
R
T
C
I
V
I
A
HRLNTVMNAD
C
I
A
V
V
S
NGTII
E
K
G
T
H
T
Q
L
M
S
E
K
103
Fugue
84.42
27%
-113
- C2 -
3B60
2
MSBA_SALTY
A:
[10-581]
----------------------------------------------------
W
Q
T
F
R
R
L
W
P
---
T
---
I
A
P
F
K
A
G
L
I
V
A
G
I
A
L
I
L
-
N
A
A
S
D
T
F
M
L
S
L
L
K
P
L
L
D
D
G
F
G
K
T
D
R
S
V
L
L
W
M
------------------------
P
L
V
V
I
G
L
M
I
L
R
G
I
T
S
Y
I
S
S
Y
C
I
S
W
V
S
G
K
V
V
M
T
M
R
R
R
L
F
G
H
M
M
G
M
P
V
A
F
F
D
K
Q
S
T
G
T
L
L
S
R
I
T
Y
D
S
E
Q
V
A
S
S
S
S
G
A
L
I
T
V
V
R
E
G
A
S
I
I
G
L
F
I
M
M
F
Y
Y
S
-
W
Q
L
S
I
I
L
V
V
L
A
P
I
V
S
I
A
I
R
V
V
S
K
R
F
R
S
I
S
K
N
M
Q
N
T
M
G
Q
V
T
T
S
A
E
Q
M
L
K
G
H
K
E
V
L
I
-----------
F
G
G
Q
E
V
E
T
K
R
-
F
D
K
V
S
N
K
M
R
L
Q
G
M
K
M
V
S
A
S
S
I
S
D
P
I
I
Q
L
I
-
A
--
S
L
-
A
L
A
F
V
L
Y
A
A
S
F
P
S
V
M
---
D
-----------
S
L
T
A
G
T
I
T
V
V
F
S
S
M
I
A
------
L
M
R
P
L
K
S
L
T
N
V
N
A
Q
F
Q
R
G
M
A
A
C
Q
T
L
F
A
I
L
D
S
E
Q
E
K
D
E
G
K
R
V
I
D
--------
R
A
T
G
D
-
L
----
E
----
F
R
N
V
T
F
T
Y
PG-
R
---
E
---
V
P
---
A
L
R
N
I
N
L
K
I
P
A
G
K
T
V
A
L
V
G
R
S
G
S
G
K
S
T
I
A
S
L
I
T
R
F
Y
D
I
D
E
G
H
I
L
M
D
G
H
D
L
R
E
Y
T
L
A
S
L
R
N
Q
V
A
L
V
S
Q
N
V
H
L
F
N
D
T
V
A
N
N
I
A
Y
A
R
TE
E
-
Y
----
S
-
R
E
Q
I
E
E
A
A
R
M
A
Y
A
M
D
F
I
N
K
M
D
N
G
L
D
T
I
I
G
E
N
G
V
L
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
L
R
D
S
P
I
L
I
L
D
E
A
T
S
A
L
D
T
E
S
E
R
A
I
Q
A
A
L
D
E
L
Q
--
K
N
R
T
S
L
V
I
A
H
R
L
S
T
I
E
Q
A
D
E
I
V
V
V
E
D
G
I
I
V
E
R
G
T
H
S
E
L
L
A
Q
-
H
G
V
Y
A
Q
L
H
K
M
Q
F
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
114
HHSearch
83.54
28%
-121
- C2 -
3ZDQ
6
ABCBA_HUMAN
A:
[7-572]
-------------------------------------------------------
A
R
K
L
L
G
---
L
---
A
Y
P
E
R
R
R
L
A
A
A
V
G
F
L
T
M
-
S
S
V
I
S
M
S
A
P
F
F
L
G
K
I
I
D
V
I
Y
T
N
P
T
V
D
Y
---
S
D
N
L
T
R
-----------
L
-
C
--
L
G
L
S
----
A
V
F
L
C
G
A
A
A
N
A
I
R
V
Y
L
M
Q
T
S
G
Q
R
I
V
N
R
L
R
T
S
L
F
S
S
I
L
R
Q
E
V
A
F
F
D
K
T
R
T
G
E
L
I
N
R
L
S
S
D
T
A
L
L
G
R
S
V
T
E
N
L
S
D
G
L
R
A
G
A
Q
A
S
V
G
I
S
M
M
F
F
V
S
-
P
N
L
A
T
F
V
L
S
V
V
P
P
V
S
I
I
A
V
I
Y
G
R
Y
L
R
K
L
T
K
V
T
Q
D
S
L
A
Q
A
T
Q
L
A
E
E
R
I
G
N
V
R
T
V
R
A
-----------
F
G
K
E
M
T
E
I
E
K
-
Y
A
S
K
V
D
H
V
M
Q
L
A
R
K
E
A
F
A
R
A
G
F
F
G
A
T
G
L
S
G
N
--
L
I
V
L
S
V
L
Y
K
G
G
L
--
L
M
G
S
---
A
-----------
H
M
T
V
G
E
L
S
S
F
L
M
Y
A
F
W
------
V
G
I
S
I
G
G
L
S
S
F
Y
S
E
L
M
K
G
L
G
A
G
G
R
L
W
E
L
L
E
R
E
P
K
L
P
F
N
E
G
V
I
L
N
--
E
---
K
S
F
Q
G
A
-
L
----
E
----
F
K
N
V
H
F
A
Y
---
P
---
A
RPE
V
P
---
I
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
W
L
R
S
K
I
G
T
V
S
Q
E
P
I
L
F
S
C
S
I
A
E
N
I
A
Y
G
A
--
D
-
D
PSSV
T
-
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
A
F
I
R
N
F
P
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
L
M
--
D
G
R
T
V
L
V
I
A
H
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
H
E
E
L
L
S
K
P--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
113
HHSearch
82.49
27%
-109
- C2 -
3B60
2
MSBA_SALTY
A:
[10-580]
-------------------------------------------------------
W
Q
T
F
R
R
L
W
P
T
---
I
A
P
F
K
A
G
L
I
V
A
G
I
A
L
I
L
-
N
A
A
S
D
T
F
M
L
S
L
L
K
P
L
L
D
D
G
F
G
K
T
D
------
R
S
V
L
L
W
-----------
M
-
P
--
L
V
V
----
I
G
L
M
I
L
R
G
I
T
S
Y
I
S
S
Y
C
I
S
W
V
S
G
K
V
V
M
T
M
R
R
R
L
F
G
H
M
M
G
M
P
V
A
F
F
D
K
Q
S
T
G
T
L
L
S
R
I
T
Y
D
S
E
Q
V
A
S
S
S
S
G
A
L
I
T
V
V
R
E
G
A
S
I
I
G
L
F
I
M
M
F
Y
Y
S
-
W
Q
L
S
I
I
L
V
V
L
A
P
I
V
S
I
A
I
R
V
V
S
K
R
F
R
S
I
S
K
N
M
Q
N
T
M
G
Q
V
T
T
S
A
E
Q
M
L
K
G
H
K
E
V
L
I
-----------
F
G
G
Q
E
V
E
T
K
R
-
F
D
K
V
S
N
K
M
R
L
Q
G
M
K
M
V
S
A
S
S
I
S
D
P
I
I
Q
L
I
A
S
--
L
A
L
A
F
V
L
Y
A
A
S
F
--
P
S
V
M
---
D
-----------
S
L
T
A
G
T
I
T
V
V
F
S
S
M
I
A
------
L
M
R
P
L
K
S
L
T
N
V
N
A
Q
F
Q
R
G
M
A
A
C
Q
T
L
F
A
I
L
D
S
E
Q
E
K
D
E
G
K
R
-
V
I
-------
D
R
A
T
G
D
-
L
----
E
----
F
R
N
V
T
F
T
Y
---
P
---
G
RE-
V
P
---
A
L
R
N
I
N
L
K
I
P
A
G
K
T
V
A
L
V
G
R
S
G
S
G
K
S
T
I
A
S
L
I
T
R
F
Y
D
I
D
E
G
H
I
L
M
D
G
H
D
L
R
E
Y
T
L
A
S
L
R
N
Q
V
A
L
V
S
Q
N
V
H
L
F
N
D
T
V
A
N
N
I
A
Y
A
R
--
T
-
E
EY--
S
-
R
E
Q
I
E
E
A
A
R
M
A
Y
A
M
D
F
I
N
K
M
D
N
G
L
D
T
I
I
G
E
N
G
V
L
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
L
R
D
S
P
I
L
I
L
D
E
A
T
S
A
L
D
T
E
S
E
R
A
I
Q
A
A
L
D
E
L
Q
--
K
N
R
T
S
L
V
I
A
H
R
L
S
T
I
E
Q
A
D
E
I
V
V
V
E
D
G
I
I
V
E
R
G
T
H
S
E
L
L
A
Q
-
H
G
V
Y
A
Q
L
H
K
M
Q
F
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
82.23
31%
-121
- C2 -
4M1M
3
MDR1A_MOUSE
A:
[140-621]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
H
K
I
R
Q
K
F
F
H
A
I
M
N
Q
E
I
G
W
F
D
V
H
D
V
G
E
L
N
T
R
L
T
D
D
V
S
K
I
N
E
G
I
G
D
K
I
G
M
F
F
Q
A
M
A
T
F
F
G
G
F
I
I
G
F
T
R
G
-
W
K
L
T
L
V
I
L
A
I
S
P
V
L
G
L
S
A
G
I
W
A
K
I
L
S
S
F
T
D
K
E
L
H
A
Y
A
K
A
G
A
V
A
E
E
V
L
A
A
I
R
T
V
I
A
-----------
F
G
G
Q
K
K
E
L
E
R
-
Y
N
N
N
L
E
E
A
K
R
L
G
I
K
K
A
I
T
A
N
I
S
M
G
A
A
F
L
L
-
I
Y
A
S
Y
-
A
L
A
F
W
Y
G
T
S
L
--
V
I
S
---
K
-----------
E
Y
S
I
G
Q
V
L
T
V
F
F
S
V
L
I
------
G
A
F
S
V
G
Q
A
S
P
N
I
E
A
F
A
N
A
R
G
A
A
Y
E
V
F
K
I
I
D
N
------
K
P
S
I
D
S
F
--
S
KS-
G
H
K
P
D
N
-
I
Q
G
N
L
E
----
F
K
N
I
H
F
S
Y
PSR
K
---
E
---
V
Q
---
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
G
N
S
G
C
G
K
S
T
T
V
Q
L
M
Q
R
L
Y
D
P
L
D
G
M
V
S
I
D
G
Q
D
I
R
T
I
N
V
R
Y
L
R
E
I
I
G
V
V
S
Q
E
P
V
L
F
A
T
T
I
A
E
N
I
R
Y
G
R
--
E
-
D
V---
T
-
M
D
E
I
E
K
A
V
K
E
A
N
A
Y
D
F
I
M
K
L
P
H
Q
F
D
T
L
V
G
E
R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
T
E
S
E
A
V
V
Q
A
A
L
D
K
A
R
--
E
G
R
T
T
I
V
I
A
H
R
L
S
T
V
R
N
A
D
V
I
A
G
F
D
G
G
V
I
V
E
Q
G
N
H
D
E
L
M
R
E
-
K
G
I
Y
F
K
L
V
M
T
Q
T
K
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
82.04
31%
-120
- C2 -
4M2S
1
MDR1A_MOUSE
B:
[140-621]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
H
K
I
R
Q
K
F
F
H
A
I
M
N
Q
E
I
G
W
F
D
V
H
D
V
G
E
L
N
T
R
L
T
D
D
V
S
K
I
N
E
G
I
G
D
K
I
G
M
F
F
Q
A
M
A
T
F
F
G
G
F
I
I
G
F
T
R
G
-
W
K
L
T
L
V
I
L
A
I
S
P
V
L
G
L
S
A
G
I
W
A
K
I
L
S
S
F
T
D
K
E
L
H
A
Y
A
K
A
G
A
V
A
E
E
V
L
A
A
I
R
T
V
I
A
-----------
F
G
G
Q
K
K
E
L
E
R
-
Y
N
N
N
L
E
E
A
K
R
L
G
I
K
K
A
I
T
A
N
I
S
M
G
A
A
F
L
L
-
I
Y
A
S
Y
-
A
L
A
F
W
Y
G
T
S
L
--
V
I
S
---
K
-----------
E
Y
S
I
G
Q
V
L
T
V
F
F
S
V
L
I
------
G
A
F
S
V
G
Q
A
S
P
N
I
E
A
F
A
N
A
R
G
A
A
Y
E
V
F
K
I
I
D
N
------
K
P
S
I
D
S
F
--
S
KS-
G
H
K
P
D
N
-
I
QG
N
L
E
----
F
K
N
I
H
F
S
Y
PSR
K
---
E
---
V
Q
---
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
G
N
S
G
C
G
K
S
T
T
V
Q
L
M
Q
R
L
Y
D
P
L
D
G
M
V
S
I
D
G
Q
D
I
R
T
I
N
V
R
Y
L
R
E
I
I
G
V
V
S
Q
E
P
V
L
F
A
T
T
I
A
E
N
I
R
Y
G
R
--
E
-
D
V---
T
-
M
D
E
I
E
K
A
V
K
E
A
N
A
Y
D
F
I
M
K
L
P
H
Q
F
D
T
L
V
G
E
R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
T
E
S
E
A
V
V
Q
A
A
L
D
K
A
R
--
E
G
R
T
T
I
V
I
A
H
R
L
S
T
V
R
N
A
D
V
I
A
G
F
D
G
G
V
I
V
E
Q
G
N
H
D
E
L
M
R
E
-
K
G
I
Y
F
K
L
V
M
T
Q
T
V
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
81.57
31%
-118
- C2 -
4M2T
2
MDR1A_MOUSE
B:
[140-621]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
H
K
I
R
Q
K
F
F
H
A
I
M
N
Q
E
I
G
W
F
D
V
H
D
V
G
E
L
N
T
R
L
T
D
D
V
S
K
I
N
E
G
I
G
D
K
I
G
M
F
F
Q
A
M
A
T
F
F
G
G
F
I
I
G
F
T
R
G
-
W
K
L
T
L
V
I
L
A
I
S
P
V
L
G
L
S
A
G
I
W
A
K
I
L
S
S
F
T
D
K
E
L
H
A
Y
A
K
A
G
A
V
A
E
E
V
L
A
A
I
R
T
V
I
A
-----------
F
G
G
Q
K
K
E
L
E
R
-
Y
N
N
N
L
E
E
A
K
R
L
G
I
K
K
A
I
T
A
N
I
S
M
G
A
A
F
L
L
-
I
Y
A
S
Y
-
A
L
A
F
W
Y
G
T
S
L
--
V
I
S
---
K
-----------
E
Y
S
I
G
Q
V
L
T
V
F
F
S
V
L
I
------
G
A
F
S
V
G
Q
A
S
P
N
I
E
A
F
A
N
A
R
G
A
A
Y
E
V
F
K
I
I
D
N
------
K
P
S
I
D
S
F
--
S
KS-
G
H
K
P
D
N
-
I
QG
N
L
E
----
F
K
N
I
H
F
S
Y
PSR
K
---
E
---
V
Q
---
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
G
N
S
G
C
G
K
S
T
T
V
Q
L
M
Q
R
L
Y
D
P
L
D
G
M
V
S
I
D
G
Q
D
I
R
T
I
N
V
R
Y
L
R
E
I
I
G
V
V
S
Q
E
P
V
L
F
A
T
T
I
A
E
N
I
R
Y
G
R
--
E
-
D
V---
T
-
M
D
E
I
E
K
A
V
K
E
A
N
A
Y
D
F
I
M
K
L
P
H
Q
F
D
T
L
V
G
E
R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
T
E
S
E
A
V
V
Q
A
A
L
D
K
A
R
--
E
G
R
T
T
I
V
I
A
H
R
L
S
T
V
R
N
A
D
V
I
A
G
F
D
G
G
V
I
V
E
Q
G
N
H
D
E
L
M
R
E
-
K
G
I
Y
F
K
L
V
M
T
Q
T
V
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
81.41
31%
-120
- C2 -
4M2T
2
MDR1A_MOUSE
A:
[140-621]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
H
K
I
R
Q
K
F
F
H
A
I
M
N
Q
E
I
G
W
F
D
V
H
D
V
G
E
L
N
T
R
L
T
D
D
V
S
K
I
N
E
G
I
G
D
K
I
G
M
F
F
Q
A
M
A
T
F
F
G
G
F
I
I
G
F
T
R
G
-
W
K
L
T
L
V
I
L
A
I
S
P
V
L
G
L
S
A
G
I
W
A
K
I
L
S
S
F
T
D
K
E
L
H
A
Y
A
K
A
G
A
V
A
E
E
V
L
A
A
I
R
T
V
I
A
-----------
F
G
G
Q
K
K
E
L
E
R
-
Y
N
N
N
L
E
E
A
K
R
L
G
I
K
K
A
I
T
A
N
I
S
M
G
A
A
F
L
L
-
I
Y
A
S
Y
-
A
L
A
F
W
Y
G
T
S
L
--
V
I
S
---
K
-----------
E
Y
S
I
G
Q
V
L
T
V
F
F
S
V
L
I
------
G
A
F
S
V
G
Q
A
S
P
N
I
E
A
F
A
N
A
R
G
A
A
Y
E
V
F
K
I
I
D
N
------
K
P
S
I
D
S
F
--
S
KS-
G
H
K
P
D
N
-
I
Q
G
N
L
E
----
F
K
N
I
H
F
S
Y
PSR
K
---
E
---
V
Q
---
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
G
N
S
G
C
G
K
S
T
T
V
Q
L
M
Q
R
L
Y
D
P
L
D
G
M
V
S
I
D
G
Q
D
I
R
T
I
N
V
R
Y
L
R
E
I
I
G
V
V
S
Q
E
P
V
L
F
A
T
T
I
A
E
N
I
R
Y
G
R
--
E
-
D
V---
T
-
M
D
E
I
E
K
A
V
K
E
A
N
A
Y
D
F
I
M
K
L
P
H
Q
F
D
T
L
V
G
E
R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
T
E
S
E
A
V
V
Q
A
A
L
D
K
A
R
--
E
G
R
T
T
I
V
I
A
H
R
L
S
T
V
R
N
A
D
V
I
A
G
F
D
G
G
V
I
V
E
Q
G
N
H
D
E
L
M
R
E
-
K
G
I
Y
F
K
L
V
M
T
Q
T
K
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
81.33
28%
-120
- C2 -
4Q4A
1
Y288_THEMA
B:
[96-587]
-------------------------------------------------------------------------------------------------------------------------------------------------------------
L
Q
G
K
I
M
L
T
L
S
Q
D
V
V
F
R
L
R
K
E
L
F
E
K
L
Q
R
V
P
V
G
F
F
D
R
T
P
H
G
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
S
G
I
V
T
L
A
G
A
V
I
M
M
F
R
V
N
-
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
-----------
F
T
R
E
E
K
E
M
E
K
-
F
D
R
V
N
E
S
L
R
K
V
G
T
K
A
Q
I
F
S
G
V
L
P
P
L
M
N
M
V
-
N
--
N
L
-
G
F
A
L
I
S
G
F
G
G
W
L
A
L
K
---
D
-----------
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
------
F
T
R
P
L
N
E
L
S
N
Q
F
N
M
I
Q
M
A
L
A
S
A
E
R
I
F
E
I
L
D
L
E
E
E
K
D
D
P
---
D
A
V
--
E
---
L
R
E
V
R
G
E
I
----
E
----
F
K
N
V
W
F
S
Y
---
D
---
K
---
K
K
P--
V
L
K
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
N
--
P
G
A
----
T
-
D
E
E
I
K
E
A
A
K
L
T
H
S
D
H
F
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
S
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
H
D
E
L
I
Q
K
-
R
G
F
Y
Y
E
L
F
T
S
Q
Y
G
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
81.22
31%
-129
- C2 -
4F4C
-
PGP1_CAEEL
A:
[170-649]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
L
R
R
E
F
V
K
S
I
L
R
Q
E
I
S
W
F
D
T
N
H
S
G
T
L
A
T
K
L
F
D
N
L
E
R
V
K
E
G
T
G
D
K
I
G
-
M
A
F
Q
Y
L
S
Q
F
I
T
G
F
I
V
A
F
T
H
S
W
Q
L
T
L
V
M
L
A
V
T
P
I
Q
A
L
C
G
F
A
I
A
K
S
M
S
T
F
A
I
R
E
T
L
R
Y
A
K
A
G
K
V
V
E
E
T
I
S
S
I
R
T
V
V
S
-----------
L
N
G
L
R
Y
E
L
E
R
-
Y
S
T
A
V
E
E
A
K
K
-----------
A
G
V
L
K
G
L
F
-
L
--
G
I
-
S
F
G
A
M
Q
A
S
N
F
I
S
F
A
L
---
A
F
Y
I
G
V
G
W
V
H
D
G
S
L
N
F
G
D
M
L
T
T
F
S
S
V
M
M
G
S
M
A
L
G
L
A
G
P
Q
L
A
V
L
G
------
T
A
Q
G
A
A
S
G
I
Y
E
V
L
D
R
------
K
P
V
I
D
S
S
S
K
A
---
G
R
K
D
M
K
-
I
----
K
G
D
I
T
V
E
N
V
H
F
T
Y
---
P
SRP
D
---
V
P
---
I
L
R
G
M
N
L
R
V
N
A
G
Q
T
V
A
L
V
G
S
S
G
C
G
K
S
T
I
I
S
L
L
L
R
Y
Y
D
V
L
K
G
K
I
T
I
D
G
V
D
V
R
D
I
N
L
E
F
L
R
K
N
V
A
V
V
S
Q
E
P
A
L
F
N
C
T
I
E
E
N
I
S
L
G
K
--
E
-
G
I---
T
-
R
E
E
M
V
A
A
C
K
M
A
N
A
E
K
F
I
K
T
L
P
N
G
Y
N
T
L
V
G
D
R
G
T
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
S
E
G
I
V
Q
Q
A
L
D
K
A
A
--
K
G
R
T
T
I
I
I
A
H
R
L
S
T
I
R
N
A
D
L
I
I
S
C
K
N
G
Q
V
V
E
V
G
D
H
R
A
L
M
A
Q
-
Q
G
L
Y
Y
D
L
V
T
A
Q
T
F
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
80.79
31%
-120
- C2 -
4M2S
1
MDR1A_MOUSE
A:
[140-621]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
H
K
I
R
Q
K
F
F
H
A
I
M
N
Q
E
I
G
W
F
D
V
H
D
V
G
E
L
N
T
R
L
T
D
D
V
S
K
I
N
E
G
I
G
D
K
I
G
M
F
F
Q
A
M
A
T
F
F
G
G
F
I
I
G
F
T
R
G
-
W
K
L
T
L
V
I
L
A
I
S
P
V
L
G
L
S
A
G
I
W
A
K
I
L
S
S
F
T
D
K
E
L
H
A
Y
A
K
A
G
A
V
A
E
E
V
L
A
A
I
R
T
V
I
A
-----------
F
G
G
Q
K
K
E
L
E
R
-
Y
N
N
N
L
E
E
A
K
R
L
G
I
K
K
A
I
T
A
N
I
S
M
G
A
A
F
L
L
-
I
Y
A
S
Y
-
A
L
A
F
W
Y
G
T
S
L
--
V
I
S
---
K
-----------
E
Y
S
I
G
Q
V
L
T
V
F
F
S
V
L
I
------
G
A
F
S
V
G
Q
A
S
P
N
I
E
A
F
A
N
A
R
G
A
A
Y
E
V
F
K
I
I
D
N
------
K
P
S
I
D
S
F
--
S
KS-
G
H
K
P
D
N
-
I
QG
N
L
E
----
F
K
N
I
H
F
S
Y
PSR
K
---
E
---
V
Q
---
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
G
N
S
G
C
G
K
S
T
T
V
Q
L
M
Q
R
L
Y
D
P
L
D
G
M
V
S
I
D
G
Q
D
I
R
T
I
N
V
R
Y
L
R
E
I
I
G
V
V
S
Q
E
P
V
L
F
A
T
T
I
A
E
N
I
R
Y
G
R
--
E
-
D
V---
T
-
M
D
E
I
E
K
A
V
K
E
A
N
A
Y
D
F
I
M
K
L
P
H
Q
F
D
T
L
V
G
E
R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
T
E
S
E
A
V
V
Q
A
A
L
D
K
A
R
--
E
G
R
T
T
I
V
I
A
H
R
L
S
T
V
R
N
A
D
V
I
A
G
F
D
G
G
V
I
V
E
Q
G
N
H
D
E
L
M
R
E
-
K
G
I
Y
F
K
L
V
M
T
Q
T
K
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
80.74
28%
-120
- C2 -
3QF4
1
Y288_THEMA
B:
[96-587]
-------------------------------------------------------------------------------------------------------------------------------------------------------------
L
Q
G
K
I
M
L
T
L
S
Q
D
V
V
F
R
L
R
K
E
L
F
E
K
L
Q
R
V
P
V
G
F
F
D
R
T
P
H
G
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
S
G
I
V
T
L
A
G
A
V
I
M
M
F
R
V
N
-
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
-----------
F
T
R
E
E
K
E
M
E
K
-
F
D
R
V
N
E
S
L
R
K
V
G
T
K
A
Q
I
F
S
G
V
L
P
P
L
M
N
M
V
-
N
--
N
L
-
G
F
A
L
I
S
G
F
G
G
W
L
A
L
K
---
D
-----------
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
------
F
T
R
P
L
N
E
L
S
N
Q
F
N
M
I
Q
M
A
L
A
S
A
E
R
I
F
E
I
L
D
L
E
E
E
K
D
D
P
---
D
A
V
--
E
---
L
R
E
V
R
G
E
I
----
E
----
F
K
N
V
W
F
S
Y
---
D
---
K
---
K
K
P--
V
L
K
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
N
--
P
G
A
----
T
-
D
E
E
I
K
E
A
A
K
L
T
H
S
D
H
F
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
S
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
H
D
E
L
I
Q
K
-
R
G
F
Y
Y
E
L
F
T
S
Q
Y
G
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
80.66
31%
-117
- C2 -
4M1M
3
MDR1A_MOUSE
B:
[140-621]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
H
K
I
R
Q
K
F
F
H
A
I
M
N
Q
E
I
G
W
F
D
V
H
D
V
G
E
L
N
T
R
L
T
D
D
V
S
K
I
N
E
G
I
G
D
K
I
G
M
F
F
Q
A
M
A
T
F
F
G
G
F
I
I
G
F
T
R
G
-
W
K
L
T
L
V
I
L
A
I
S
P
V
L
G
L
S
A
G
I
W
A
K
I
L
S
S
F
T
D
K
E
L
H
A
Y
A
K
A
G
A
V
A
E
E
V
L
A
A
I
R
T
V
I
A
-----------
F
G
G
Q
K
K
E
L
E
R
-
Y
N
N
N
L
E
E
A
K
R
L
G
I
K
K
A
I
T
A
N
I
S
M
G
A
A
F
L
L
-
I
Y
A
S
Y
-
A
L
A
F
W
Y
G
T
S
L
--
V
I
S
---
K
-----------
E
Y
S
I
G
Q
V
L
T
V
F
F
S
V
L
I
------
G
A
F
S
V
G
Q
A
S
P
N
I
E
A
F
A
N
A
R
G
A
A
Y
E
V
F
K
I
I
D
N
------
K
P
S
I
D
S
F
--
S
KS-
G
H
K
P
D
N
-
I
QG
N
L
E
----
F
K
N
I
H
F
S
Y
PSR
K
---
E
---
V
Q
---
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
G
N
S
G
C
G
K
S
T
T
V
Q
L
M
Q
R
L
Y
D
P
L
D
G
M
V
S
I
D
G
Q
D
I
R
T
I
N
V
R
Y
L
R
E
I
I
G
V
V
S
Q
E
P
V
L
F
A
T
T
I
A
E
N
I
R
Y
G
R
--
E
-
D
V---
T
-
M
D
E
I
E
K
A
V
K
E
A
N
A
Y
D
F
I
M
K
L
P
H
Q
F
D
T
L
V
G
E
R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
T
E
S
E
A
V
V
Q
A
A
L
D
K
A
R
--
E
G
R
T
T
I
V
I
A
H
R
L
S
T
V
R
N
A
D
V
I
A
G
F
D
G
G
V
I
V
E
Q
G
N
H
D
E
L
M
R
E
-
K
G
I
Y
F
K
L
V
M
T
Q
T
V
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
80.54
31%
-123
- C2 -
4Q9I
-
MDR1A_MOUSE
A:
[140-621]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
H
K
I
R
Q
K
F
F
H
A
I
M
N
Q
E
I
G
W
F
D
V
H
D
V
G
E
L
N
T
R
L
T
D
D
V
S
K
I
N
E
G
I
G
D
K
I
G
M
F
F
Q
A
M
A
T
F
F
G
G
F
I
I
G
F
T
R
G
-
W
K
L
T
L
V
I
L
A
I
S
P
V
L
G
L
S
A
G
I
W
A
K
I
L
S
S
F
T
D
K
E
L
H
A
Y
A
K
A
G
A
V
A
E
E
V
L
A
A
I
R
T
V
I
A
-----------
F
G
G
Q
K
K
E
L
E
R
-
Y
N
N
N
L
E
E
A
K
R
L
G
I
K
K
A
I
T
A
N
I
S
M
G
A
A
F
L
L
-
I
Y
A
S
Y
-
A
L
A
F
W
Y
G
T
S
L
--
V
I
S
---
K
-----------
E
Y
S
I
G
Q
V
L
T
V
F
F
S
V
L
I
------
G
A
F
S
V
G
Q
A
S
P
N
I
E
A
F
A
N
A
R
G
A
A
Y
E
V
F
K
I
I
D
N
------
K
P
S
I
D
S
F
--
S
KS-
G
H
K
P
D
N
-
I
QGN
L
E
----
F
K
N
I
H
F
S
Y
PSR
K
---
E
---
V
Q
---
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
G
N
S
G
C
G
K
S
T
T
V
Q
L
M
Q
R
L
Y
D
P
L
D
G
M
V
S
I
D
G
Q
D
I
R
T
I
N
V
R
Y
L
R
E
I
I
G
V
V
S
Q
E
P
V
L
F
A
T
T
I
A
E
N
I
R
Y
G
R
--
E
-
D
V---
T
-
M
D
E
I
E
K
A
V
K
E
A
N
A
Y
D
F
I
M
K
L
P
H
Q
F
D
T
L
V
G
E
R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
T
E
S
E
A
V
V
Q
A
A
L
D
K
A
R
--
E
G
R
T
T
I
V
I
A
H
R
L
S
T
V
R
N
A
D
V
I
A
G
F
D
G
G
V
I
V
E
Q
G
N
H
D
E
L
M
R
E
-
K
G
I
Y
F
K
L
V
M
T
Q
T
S
F
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
80.47
31%
-122
- C2 -
4Q9H
-
MDR1A_MOUSE
A:
[140-621]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
H
K
I
R
Q
K
F
F
H
A
I
M
N
Q
E
I
G
W
F
D
V
H
D
V
G
E
L
N
T
R
L
T
D
D
V
S
K
I
N
E
G
I
G
D
K
I
G
M
F
F
Q
A
M
A
T
F
F
G
G
F
I
I
G
F
T
R
G
-
W
K
L
T
L
V
I
L
A
I
S
P
V
L
G
L
S
A
G
I
W
A
K
I
L
S
S
F
T
D
K
E
L
H
A
Y
A
K
A
G
A
V
A
E
E
V
L
A
A
I
R
T
V
I
A
-----------
F
G
G
Q
K
K
E
L
E
R
-
Y
N
N
N
L
E
E
A
K
R
L
G
I
K
K
A
I
T
A
N
I
S
M
G
A
A
F
L
L
-
I
Y
A
S
Y
-
A
L
A
F
W
Y
G
T
S
L
--
V
I
S
---
K
-----------
E
Y
S
I
G
Q
V
L
T
V
F
F
S
V
L
I
------
G
A
F
S
V
G
Q
A
S
P
N
I
E
A
F
A
N
A
R
G
A
A
Y
E
V
F
K
I
I
D
N
------
K
P
S
I
D
S
F
--
S
KS-
G
H
K
P
D
N
-
I
QG
N
L
E
----
F
K
N
I
H
F
S
Y
PSR
K
---
E
---
V
Q
---
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
G
N
S
G
C
G
K
S
T
T
V
Q
L
M
Q
R
L
Y
D
P
L
D
G
M
V
S
I
D
G
Q
D
I
R
T
I
N
V
R
Y
L
R
E
I
I
G
V
V
S
Q
E
P
V
L
F
A
T
T
I
A
E
N
I
R
Y
G
R
--
E
-
D
V---
T
-
M
D
E
I
E
K
A
V
K
E
A
N
A
Y
D
F
I
M
K
L
P
H
Q
F
D
T
L
V
G
E
R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
T
E
S
E
A
V
V
Q
A
A
L
D
K
A
R
--
E
G
R
T
T
I
V
I
A
H
R
L
S
T
V
R
N
A
D
V
I
A
G
F
D
G
G
V
I
V
E
Q
G
N
H
D
E
L
M
R
E
-
K
G
I
Y
F
K
L
V
M
T
Q
T
P
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
80.20
28%
-115
- C2 -
4Q4H
-
Y288_THEMA
B:
[96-587]
-------------------------------------------------------------------------------------------------------------------------------------------------------------
L
Q
G
K
I
M
L
T
L
S
Q
D
V
V
F
R
L
R
K
E
L
F
E
K
L
Q
R
V
P
V
G
F
F
D
R
T
P
H
G
D
I
I
S
R
V
I
N
D
V
D
N
I
N
N
V
L
G
N
S
I
I
Q
F
F
S
G
I
V
T
L
A
G
A
V
I
M
M
F
R
V
N
-
V
I
L
S
L
V
T
L
S
I
V
P
L
T
V
L
I
T
Q
I
V
S
S
Q
T
R
K
Y
F
Y
E
N
Q
R
V
L
G
Q
L
N
G
I
I
E
E
D
I
S
G
L
T
V
I
K
L
-----------
F
T
R
E
E
K
E
M
E
K
-
F
D
R
V
N
E
S
L
R
K
V
G
T
K
A
Q
I
F
S
G
V
L
P
P
L
M
N
M
V
-
N
--
N
L
-
G
F
A
L
I
S
G
F
G
G
W
L
A
L
K
---
D
-----------
I
I
T
V
G
T
I
A
T
F
I
G
Y
S
R
Q
------
F
T
R
P
L
N
E
L
S
N
Q
F
N
M
I
Q
M
A
L
A
S
A
E
R
I
F
E
I
L
D
L
E
E
E
K
D
D
P
---
D
A
V
--
E
---
L
R
E
V
R
G
E
I
----
E
----
F
K
N
V
W
F
S
Y
---
D
---
K
---
K
K
P--
V
L
K
D
I
T
F
H
I
K
P
G
Q
K
V
A
L
V
G
P
T
G
S
G
K
T
T
I
V
N
L
L
M
R
F
Y
D
V
D
R
G
Q
I
L
V
D
G
I
D
I
R
K
I
K
R
S
S
L
R
S
S
I
G
I
V
L
Q
D
T
I
L
F
S
T
T
V
K
E
N
L
K
Y
G
N
--
P
G
A
----
T
-
D
E
E
I
K
E
A
A
K
L
T
H
S
D
H
F
I
K
H
L
P
E
G
Y
E
T
V
L
T
D
N
G
E
D
L
S
Q
G
Q
R
Q
L
L
A
I
T
R
A
F
L
A
N
P
K
I
L
I
L
D
E
A
T
S
N
V
D
T
K
T
E
K
S
I
Q
A
A
M
W
K
L
M
--
E
G
K
T
S
I
I
I
A
H
R
L
N
T
I
K
N
A
D
L
I
I
V
L
R
D
G
E
I
V
E
M
G
K
H
D
E
L
I
Q
K
-
R
G
F
Y
Y
E
L
F
T
S
Q
Y
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
80.01
29%
-106
- C2 -
2ONJ
4
Y1866_STAAM
A:
[29-574]
---------------------------------------------------------------------------------------------
I
P
M
L
I
P
L
L
I
K
Y
A
I
----
D
G
V
I
N
--
N
H
A
L
T
T
D
E
---
K
V
H
H
L
T
-
I
A
I
G
I
A
L
F
I
F
V
I
V
R
P
P
---
I
E
F
I
R
Q
Y
L
A
Q
W
T
S
N
K
I
L
Y
D
I
R
K
K
L
Y
N
H
L
Q
A
L
S
A
R
F
Y
A
N
N
Q
V
G
Q
V
I
S
R
V
I
N
D
V
E
Q
T
K
D
F
I
L
T
G
L
M
N
I
W
L
D
C
I
T
I
I
I
A
L
S
I
M
F
F
L
D
-
V
K
L
T
L
A
A
L
F
I
F
P
F
Y
I
L
T
V
Y
V
F
F
G
R
L
R
K
L
T
R
E
R
S
Q
A
L
A
E
V
Q
G
F
L
H
E
R
V
Q
G
I
S
V
V
K
S
F
AI
E
D
N
E
A
K
N
F
D
K
K
N
T
N
F
L
T
R
A
L
K
H
T
R
W
N
A
Y
S
F
A
-
A
I
N
T
V
T
D
I
-----
G
P
I
-
I
--
V
I
-
G
V
G
A
Y
L
A
I
S
---------
G
-----------
S
I
T
V
G
T
L
A
A
F
V
G
Y
L
E
L
------
L
F
G
P
L
R
R
L
V
A
S
F
T
T
L
T
Q
S
F
A
S
M
D
R
V
F
Q
L
I
D
E
D
Y
D
I
K
N
G
V
G
A
Q
P
I
--
E
IKQ
G
R
-----
I
----
D
----
I
D
H
V
S
F
Q
Y
---
N
---
D
---
N
E
AP-
I
L
K
D
I
N
L
S
I
E
K
G
E
T
V
A
F
V
G
M
S
G
G
G
K
S
T
L
I
N
L
I
P
R
F
Y
D
V
T
S
G
Q
I
L
I
D
G
H
N
I
K
D
F
L
T
G
S
L
R
N
Q
I
G
L
V
Q
Q
D
N
I
L
F
S
D
T
V
K
E
N
I
L
L
G
R
--
P
-
T
A---
T
-
D
E
E
V
V
E
A
A
K
M
A
N
A
H
D
F
I
M
N
L
P
Q
G
Y
D
T
E
V
G
E
R
G
V
K
L
S
G
G
Q
K
Q
R
L
S
I
A
R
I
F
L
N
N
P
P
I
L
I
L
D
E
A
T
S
A
L
D
L
E
S
E
S
I
I
Q
E
A
L
D
V
L
S
--
K
D
R
T
T
L
I
V
A
H
R
L
S
T
I
T
H
A
D
K
I
V
V
I
E
N
G
H
I
V
E
T
G
T
H
R
E
L
I
A
K
-
Q
G
A
Y
E
H
L
Y
S
I
Q
N
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
79.85
29%
-108
- C2 -
2HYD
3
Y1866_STAAM
A:
[29-574]
---------------------------------------------------------------------------------------------
I
P
M
L
I
P
L
L
I
K
Y
A
I
----
D
G
V
I
N
--
N
H
A
L
T
T
D
E
---
K
V
H
H
L
T
-
I
A
I
G
I
A
L
F
I
F
V
I
V
R
P
P
---
I
E
F
I
R
Q
Y
L
A
Q
W
T
S
N
K
I
L
Y
D
I
R
K
K
L
Y
N
H
L
Q
A
L
S
A
R
F
Y
A
N
N
Q
V
G
Q
V
I
S
R
V
I
N
D
V
E
Q
T
K
D
F
I
L
T
G
L
M
N
I
W
L
D
C
I
T
I
I
I
A
L
S
I
M
F
F
L
D
-
V
K
L
T
L
A
A
L
F
I
F
P
F
Y
I
L
T
V
Y
V
F
F
G
R
L
R
K
L
T
R
E
R
S
Q
A
L
A
E
V
Q
G
F
L
H
E
R
V
Q
G
I
S
V
V
K
S
F
AI
E
D
N
E
A
K
N
F
D
K
K
N
T
N
F
L
T
R
A
L
K
H
T
R
W
N
A
Y
S
F
A
-
A
I
N
T
V
T
D
I
-----
G
P
I
-
I
--
V
I
-
G
V
G
A
Y
L
A
I
S
---------
G
-----------
S
I
T
V
G
T
L
A
A
F
V
G
Y
L
E
L
------
L
F
G
P
L
R
R
L
V
A
S
F
T
T
L
T
Q
S
F
A
S
M
D
R
V
F
Q
L
I
D
E
D
Y
D
I
K
N
G
V
G
A
Q
P
I
--
E
IKQ
G
R
-----
I
----
D
----
I
D
H
V
S
F
Q
Y
---
N
---
D
---
N
E
AP-
I
L
K
D
I
N
L
S
I
E
K
G
E
T
V
A
F
V
G
M
S
G
G
G
K
S
T
L
I
N
L
I
P
R
F
Y
D
V
T
S
G
Q
I
L
I
D
G
H
N
I
K
D
F
L
T
G
S
L
R
N
Q
I
G
L
V
Q
Q
D
N
I
L
F
S
D
T
V
K
E
N
I
L
L
G
R
--
P
-
T
A---
T
-
D
E
E
V
V
E
A
A
K
M
A
N
A
H
D
F
I
M
N
L
P
Q
G
Y
D
T
E
V
G
E
R
G
V
K
L
S
G
G
Q
K
Q
R
L
S
I
A
R
I
F
L
N
N
P
P
I
L
I
L
D
E
A
T
S
A
L
D
L
E
S
E
S
I
I
Q
E
A
L
D
V
L
S
--
K
D
R
T
T
L
I
V
A
H
R
L
S
T
I
T
H
A
D
K
I
V
V
I
E
N
G
H
I
V
E
T
G
T
H
R
E
L
I
A
K
-
Q
G
A
Y
E
H
L
Y
S
I
Q
N
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
79.57
31%
-122
- C2 -
4Q9J
-
MDR1A_MOUSE
A:
[140-621]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
H
K
I
R
Q
K
F
F
H
A
I
M
N
Q
E
I
G
W
F
D
V
H
D
V
G
E
L
N
T
R
L
T
D
D
V
S
K
I
N
E
G
I
G
D
K
I
G
M
F
F
Q
A
M
A
T
F
F
G
G
F
I
I
G
F
T
R
G
-
W
K
L
T
L
V
I
L
A
I
S
P
V
L
G
L
S
A
G
I
W
A
K
I
L
S
S
F
T
D
K
E
L
H
A
Y
A
K
A
G
A
V
A
E
E
V
L
A
A
I
R
T
V
I
A
-----------
F
G
G
Q
K
K
E
L
E
R
-
Y
N
N
N
L
E
E
A
K
R
L
G
I
K
K
A
I
T
A
N
I
S
M
G
A
A
F
L
L
-
I
Y
A
S
Y
-
A
L
A
F
W
Y
G
T
S
L
--
V
I
S
---
K
-----------
E
Y
S
I
G
Q
V
L
T
V
F
F
S
V
L
I
------
G
A
F
S
V
G
Q
A
S
P
N
I
E
A
F
A
N
A
R
G
A
A
Y
E
V
F
K
I
I
D
N
------
K
P
S
I
D
S
F
--
S
KS-
G
H
K
P
D
N
-
I
Q
G
N
L
E
----
F
K
N
I
H
F
S
Y
PSR
K
---
E
---
V
Q
---
I
L
K
G
L
N
L
K
V
K
S
G
Q
T
V
A
L
V
G
N
S
G
C
G
K
S
T
T
V
Q
L
M
Q
R
L
Y
D
P
L
D
G
M
V
S
I
D
G
Q
D
I
R
T
I
N
V
R
Y
L
R
E
I
I
G
V
V
S
Q
E
P
V
L
F
A
T
T
I
A
E
N
I
R
Y
G
R
--
E
-
D
V---
T
-
M
D
E
I
E
K
A
V
K
E
A
N
A
Y
D
F
I
M
K
L
P
H
Q
F
D
T
L
V
G
E
R
G
A
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
T
E
S
E
A
V
V
Q
A
A
L
D
K
A
R
--
E
G
R
T
T
I
V
I
A
H
R
L
S
T
V
R
N
A
D
V
I
A
G
F
D
G
G
V
I
V
E
Q
G
N
H
D
E
L
M
R
E
-
K
G
I
Y
F
K
L
V
M
T
Q
T
P
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
56.94
40%
-118
- C2 -
3NHB
3
A:
[54-290]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
----
E
----
F
E
N
V
H
F
S
Y
---
A
---
D
----
R
E--
T
L
Q
D
V
S
F
T
V
M
P
G
Q
T
L
A
L
V
G
P
S
G
A
G
K
S
T
I
L
R
L
L
F
R
F
Y
D
I
S
S
G
C
I
R
I
D
G
Q
D
I
S
Q
V
T
Q
A
S
L
R
S
H
I
G
V
V
P
Q
D
T
V
L
F
N
D
T
I
A
D
N
I
R
Y
G
R
--
V
-
T
----
A
G
N
D
E
V
E
A
A
A
Q
A
A
G
I
H
D
A
I
M
A
F
P
E
G
Y
R
T
Q
V
G
E
R
G
L
K
L
S
G
G
E
K
Q
R
V
A
I
A
R
T
I
L
K
A
P
G
I
I
L
L
D
E
A
T
S
A
L
D
T
S
N
E
R
A
I
Q
A
S
L
A
K
V
C
--
A
N
R
T
T
I
V
V
A
H
R
L
S
T
V
V
N
A
D
Q
I
L
V
I
K
D
G
C
I
V
E
R
G
R
H
E
A
L
L
S
R
-
G
G
V
Y
A
D
M
W
-
Q
L
Q
Q
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
56.39
40%
-118
- C2 -
3NH9
3
A:
[54-290]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
----
E
----
F
E
N
V
H
F
S
Y
---
A
---
D
---
G
R
E--
T
L
Q
D
V
S
F
T
V
M
P
G
Q
T
L
A
L
V
G
P
S
G
A
G
K
S
T
I
L
R
L
L
F
R
F
Y
D
I
S
S
G
C
I
R
I
D
G
Q
D
I
S
Q
V
T
Q
A
S
L
R
S
H
I
G
V
V
P
Q
D
T
V
L
F
N
D
T
I
A
D
N
I
R
Y
G
R
--
V
-
T
----
A
G
N
D
E
V
E
A
A
A
Q
A
A
G
I
H
D
A
I
M
A
F
P
E
G
Y
R
T
Q
V
G
E
R
G
L
K
L
S
G
G
E
K
Q
R
V
A
I
A
R
T
I
L
K
A
P
G
I
I
L
L
D
E
A
T
S
A
L
D
T
S
N
E
R
A
I
Q
A
S
L
A
K
V
C
--
A
N
R
T
T
I
V
V
A
H
R
L
S
T
V
V
N
A
D
Q
I
L
V
I
K
D
G
C
I
V
E
R
G
R
H
E
A
L
L
S
R
-
G
G
V
Y
A
D
M
W
-
Q
L
Q
Q
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
55.17
40%
-115
- C2 -
3NHA
4
A:
[54-290]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
----
E
----
F
E
N
V
H
F
S
Y
---
A
---
D
----
R
E--
T
L
Q
D
V
S
F
T
V
M
P
G
Q
T
L
A
L
V
G
P
S
G
A
G
K
S
T
I
L
R
L
L
F
R
F
Y
D
I
S
S
G
C
I
R
I
D
G
Q
D
I
S
Q
V
T
Q
A
S
L
R
S
H
I
G
V
V
P
Q
D
T
V
L
F
N
D
T
I
A
D
N
I
R
Y
G
R
--
V
-
T
----
A
G
N
D
E
V
E
A
A
A
Q
A
A
G
I
H
D
A
I
M
A
F
P
E
G
Y
R
T
Q
V
G
E
R
G
L
K
L
S
G
G
E
K
Q
R
V
A
I
A
R
T
I
L
K
A
P
G
I
I
L
L
D
E
A
T
S
A
L
D
T
S
N
E
R
A
I
Q
A
S
L
A
K
V
C
--
A
N
R
T
T
I
V
V
A
H
R
L
S
T
V
V
N
A
D
Q
I
L
V
I
K
D
G
C
I
V
E
R
G
R
H
E
A
L
L
S
R
-
G
G
V
Y
A
D
M
W
-
Q
L
Q
Q
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
PsiBlast_CBE
52.81
38%
-108
- C2 -
3VX4
3
?
D:
[35-267]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
----
S
----
F
E
N
L
S
Y
K
Y
---
G
---
F
---
G
R
D--
T
L
S
D
I
N
L
S
I
K
K
G
S
K
V
S
L
V
G
A
S
G
S
G
K
T
T
L
A
K
L
I
V
N
F
Y
E
P
N
K
G
I
V
R
I
N
G
N
D
L
K
V
I
D
K
T
A
L
R
R
H
I
S
Y
L
P
Q
Q
A
Y
V
F
S
G
S
I
M
D
N
L
V
L
G
A
--
K
-
E
GT--
S
-
Q
E
D
I
I
R
A
C
E
I
A
E
I
R
S
D
I
E
Q
M
P
Q
G
Y
Q
T
E
L
S
-
D
G
A
G
I
S
G
G
Q
K
Q
R
I
A
L
A
R
A
L
L
T
Q
A
P
V
L
I
L
D
A
A
T
S
S
L
D
I
L
T
E
K
K
I
I
S
N
L
L
Q
M
T
--
E
-
K
T
I
I
F
V
A
H
R
L
S
I
S
Q
R
T
D
E
V
I
V
M
D
Q
G
K
I
V
E
Q
G
T
H
K
E
L
L
A
K
-
Q
G
F
Y
Y
N
L
F
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
75
PsiBlast_CBE
51.45
38%
-107
- C2 -
3VX4
3
?
A:
[35-267]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
----
S
----
F
E
N
L
S
Y
K
Y
---
G
---
F
---
G
R
D--
T
L
S
D
I
N
L
S
I
K
K
G
S
K
V
S
L
V
G
A
S
G
S
G
K
T
T
L
A
K
L
I
V
N
F
Y
E
P
N
K
G
I
V
R
I
N
G
N
D
L
K
V
I
D
K
T
A
L
R
R
H
I
S
Y
L
P
Q
Q
A
Y
V
F
S
G
S
I
M
D
N
L
V
L
G
A
--
K
-
E
GT--
S
-
Q
E
D
I
I
R
A
C
E
I
A
E
I
R
S
D
I
E
Q
M
P
Q
G
Y
Q
T
E
L
S
-
D
G
A
G
I
S
G
G
Q
K
Q
R
I
A
L
A
R
A
L
L
T
Q
A
P
V
L
I
L
D
A
A
T
S
S
L
D
I
L
T
E
K
K
I
I
S
N
L
L
Q
M
T
--
E
-
K
T
I
I
F
V
A
H
R
L
S
I
S
Q
R
T
D
E
V
I
V
M
D
Q
G
K
I
V
E
Q
G
T
H
K
E
L
L
A
K
-
Q
G
F
Y
Y
N
L
F
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
122
HHSearch
51.35
35%
-100
- C2 -
2IXE
4
TAP1_RAT
A:
[14-256]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
L
-
V
----
K
----
F
Q
D
V
S
F
A
Y
---
P
---
N
HPN
V
Q
---
V
L
Q
G
L
T
F
T
L
Y
P
G
K
V
T
A
L
V
G
P
N
G
S
G
K
S
T
V
A
A
L
L
Q
N
L
Y
Q
P
T
G
G
K
V
L
L
D
G
E
P
L
V
Q
Y
D
H
H
Y
L
H
T
Q
V
A
A
V
G
Q
E
P
L
L
F
G
R
S
F
R
E
N
I
A
Y
G
L
--
T
-
R
T
P
--
T
-
M
E
E
I
T
A
V
A
M
E
S
G
A
H
D
F
I
S
G
F
P
Q
G
Y
D
T
E
V
G
E
T
G
N
Q
L
S
G
G
Q
R
Q
A
V
A
L
A
R
A
L
I
R
K
P
R
L
L
I
L
D
N
A
T
S
A
L
D
A
G
N
Q
L
R
V
Q
R
L
L
Y
E
S
P
E
W
A
S
R
T
V
L
L
I
T
Q
Q
L
S
L
A
E
R
A
H
H
I
L
F
L
K
E
G
S
V
C
E
Q
G
T
H
L
Q
L
M
E
R
-
G
G
C
Y
R
S
M
V
E
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
119
HHSearch
51.12
36%
-101
- C2 -
3VX4
3
?
A:
[29-267]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
F
L
D
G
D
-
I
----
S
----
F
E
N
L
S
Y
K
Y
---
G
F--
G
---
R
D
---
T
L
S
D
I
N
L
S
I
K
K
G
S
K
V
S
L
V
G
A
S
G
S
G
K
T
T
L
A
K
L
I
V
N
F
Y
E
P
N
K
G
I
V
R
I
N
G
N
D
L
K
V
I
D
K
T
A
L
R
R
H
I
S
Y
L
P
Q
Q
A
Y
V
F
S
G
S
I
M
D
N
L
V
L
G
A
--
K
-
E
GT--
S
-
Q
E
D
I
I
R
A
C
E
I
A
E
I
R
S
D
I
E
Q
M
P
Q
G
Y
Q
T
E
L
S
D
-
G
A
G
I
S
G
G
Q
K
Q
R
I
A
L
A
R
A
L
L
T
Q
A
P
V
L
I
L
D
A
A
T
S
S
L
D
I
L
T
E
K
K
I
I
S
N
L
L
Q
M
---
T
E
K
T
I
I
F
V
A
H
R
L
S
I
S
Q
R
T
D
E
V
I
V
M
D
Q
G
K
I
V
E
Q
G
T
H
K
E
L
L
A
K
-
Q
G
F
Y
Y
N
L
F
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
121
HHSearch
49.44
39%
-104
- C2 -
1MV5
3
LMRA_LACLA
A:
[2-238]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
----
S
----
A
R
H
V
D
F
A
Y
---
D
D--
S
---
E
Q
---
I
L
R
D
I
S
F
E
A
Q
P
N
S
I
I
A
F
A
G
P
S
G
G
G
K
S
T
I
F
S
L
L
E
R
F
Y
Q
P
T
A
G
E
I
T
I
D
G
Q
P
I
D
N
I
S
L
E
N
W
R
S
Q
I
G
F
V
S
Q
D
S
A
I
M
A
G
T
I
R
E
N
L
T
Y
G
L
--
E
-
G
DY--
T
-
D
E
D
L
W
Q
V
L
D
L
A
F
A
R
S
F
V
E
N
M
P
D
Q
L
N
T
E
V
G
E
R
G
V
K
I
S
G
G
Q
R
Q
R
L
A
I
A
R
A
F
L
R
N
P
K
I
L
M
L
D
E
A
T
A
S
L
D
S
E
S
E
S
M
V
Q
K
A
L
D
S
L
M
--
K
G
R
T
T
L
V
I
A
H
R
L
S
T
I
V
D
A
D
K
I
Y
F
I
E
K
G
Q
I
T
G
S
G
K
H
N
E
L
V
A
T
-
H
P
L
Y
A
K
Y
V
S
E
Q
L
T
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------