@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 : jhp_1129: (2015-12-21 )
MAKKKHKIPTLKYFLRSLKQIYRLITFKEKMIFFLLVLMAVFSSFVEVMSLTLLMPFITLASDPSRALDDKDWKMVYDFFHFSSPVRLMYFFSFCLVGIYLFRMFYGVFFTYLRGRFSNKKAYQIKQQLFLQHIKNNYLSHLNHNLDSLRDIINNKAEGMFMSFNAFLSLLTEITVIVFFYSTLILTNWKITLVFTTILALQIFFIVKKVTVLIKKKGEMAAKSKAQTLKVFSKFFSNFKITKLKDNHEEAHKLFGENSRKAHDTEIIYSTLQVVPRYSIETVGFSLLILAVAYILFKYGEARMVLPTISMYALALYRILPSVTGVISYYNEIAYNQLATNVVFKSLSKTIVEEDLVPLDFNEKITLQNISFAYKSKHPVLKNFNLTIQKGQKIALIGHSGCGKSTLADIIMGLTYPKSGEIFIDNTLLTSENRRSWRKKIGYIPQNIYLFDGTVGDNIAFGSAIDEKRLIKVCKMAHIYDFLCEHEGLKTQVGEGGAKLSGGQKQRIGIARALYDNPEILVLDEATSALDNETESKIMDEIYQIAKNKTLIVIAHRLSTIERCEVIIDMSQHKDNLG
Atome Classification :
(39 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-......----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------------------------------------MAKKKHKI
P
T
L
K
Y
F
L
R
S
L
K
Q
I
Y
R
L
I
T
F
K
E
K
M
I
F
F
L
L
V
L
M
A
V
F
S
-
S
F
V
E
V
M
S
L
-------
T
L
L
M
P
F
I
TLASDPSRALDD
K
D
W
K
M
V
-----
Y
D
F
FHFSS
P
V
-
R
L
M
Y
F
F
S
F
C
L
V
G
I
Y
L
F
R
M
F
Y
G
V
F
F
T
Y
L
R
G
RFSN
K
K
A
Y
Q
I
K
Q
Q
L
F
L
Q
H
I
K
---
N
N
Y
L
S
H
L
N-H
N
L
-
D
S
L
R
----
D
I
INNKAE
G
---
M
F
M
-
S
F
N
A
F
L
S
L
L
T
E
I
T
V
I
V
F
F
Y
S
T
L
I--LTN
W
K
I
T
L
V
F
---
T
T
I
L
A
L
Q
I
F
F
I
V
K
K
V
T
V
L
I
KKKGEMAAK
S
K
A
Q
T
L
K
V
F
S
K
F
-----
F
SN
F
K
--
I
T
KLKD
N
H
E
E
A
H
K
L
FGENSRKA
H
D
T
E
-----
I
I
Y
S
T
----------
L
Q
V
VPRYS
I
E
---
T
V
G
F
S
L
L
I
-
L
A
V
A
Y
I
---
L
F
K----YGE
A
R
M
V
L
P
T
I
S
M
Y
A
L
A
L
Y
R
I
L
P
--
S
V
T
G
V
I
S
Y
Y
N
E
I
A
Y
N
Q
L
A
T
N
V
V
F
K
S
L
S
K
T
--
I
V
E
ED--------L-----VP--LDFNE
K
I
T
LQ
N
I
S
F
A
YK-SK--H--PV--LKNF
N
L
T
I
QKG
Q
K
I
A
L
I
GHSGCG
K
S
T
L
A
D
I
I
M
GLTYPK---SG
E
I
F
I
D
N
T
L
LT
S
--
E
N
R
R
S
W
R
K
KIGYIPQ
N
I
Y
L
FDG-TVGDNIAFG-S---A---I------
D
E
K
R
L
I
K
V
C
K
M
A
H
I
Y
-
D
F
L
-
C
E--H-E-GLKTQVGEGGAKLSGGQKQRI
G
I
A
R
A
LYDNP
E
I
L
V
LDE
A
T
S
ALDN
E
T
E
S
K
I
M
D
E
I
Y
Q
I
A--KN
K
T
L
I
V
I
A
H
R
L
S
T
I
-
E
R
C
E
V
I
I
D
M
S
Q
-HKDNLG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
86.39
39%
-112
- C1 -
5C78
1
?
C:
[2-559]
-----------------------------------------------------------
V
K
K
L
F
F
I
L
S
K
E
D
K
N
F
L
F
F
L
L
V
F
S
V
F
V
-
S
F
I
E
T
F
A
I
-------
S
L
V
M
P
F
I
T
L
A
S
D
F
S
Y
F
--
D
R
N
K
Y
L
I
-----
S
L
K
E
Y
L
N
I
P
V
F
E
I
I
V
Y
F
G
V
G
L
I
V
F
Y
V
F
R
A
L
L
N
A
Y
Y
F
H
L
L
A
R
F
S
K
G
R
K
H
A
I
A
Y
K
V
F
S
K
F
L
N
---
I
N
Y
E
K
F
T
Q
-
K
N
Q
-
S
E
I
L
----
K
S
I
T
G
E
V
Y
N
---
L
S
T
-
M
I
S
S
F
L
L
L
M
S
E
I
F
V
V
L
L
L
Y
A
L
M
L
--
L
I
N
Y
K
I
T
L
F
L
---
S
I
F
M
V
L
N
A
F
I
L
V
K
I
L
S
P
I
I
K
K
A
G
L
R
R
E
E
A
M
K
N
F
F
E
I
L
N
T
N
-----
L
N
N
F
K
--
F
I
K
L
K
T
K
E
D
G
V
L
S
L
F
K
A
Q
S
E
A
F
S
K
A
N
-----
I
T
N
E
S
----------
V
A
A
V
P
R
I
Y
L
E
---
G
I
G
F
C
V
L
V
-
F
I
V
V
F
L
---
V
L
K
N---
E
S
D
I
S
G
I
L
S
T
I
S
I
F
V
L
A
L
Y
R
L
M
P
--
S
A
N
R
I
I
T
S
Y
H
D
L
L
Y
Y
H
S
S
L
N
I
I
Y
Q
N
L
R
Q
E
----
E
E
N
--------
L
-----
G
E
GK
L
S
F
N
Q
E
L
K
I
C
N
L
S
F
G
Y
E
-
G
K
--
K
--
Y
L
--
F
K
N
L
N
L
N
I
K
K
G
E
K
I
A
F
I
G
E
S
G
C
G
K
S
T
L
V
D
L
I
I
G
L
L
K
P
K
---
E
G
Q
I
L
I
D
K
Q
E
L
N
A
--
S
N
A
K
N
Y
R
Q
K
I
G
Y
I
P
Q
N
I
Y
L
F
N
D
-
S
I
A
K
N
I
T
F
G
-
D
---
A
---
V
------
D
E
E
K
L
N
K
V
I
K
Q
A
N
L
E
-
H
F
I
-
K
N
L-
P
-
Q
-
G
V
Q
T
K
V
G
D
G
G
S
N
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
Y
L
E
P
E
I
L
V
L
D
Q
A
T
S
A
L
D
T
Q
S
E
A
K
I
M
D
E
I
Y
K
I
S
--
K
D
K
T
M
I
I
I
A
H
R
L
S
T
I
-
T
Q
C
D
K
V
Y
R
L
E
H
-
G
K
L
K
E
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
85.95
39%
-110
- C1 -
5C78
1
?
A:
[2-559]
-----------------------------------------------------------
V
K
K
L
F
F
I
L
S
K
E
D
K
N
F
L
F
F
L
L
V
F
S
V
F
V
-
S
F
I
E
T
F
A
I
-------
S
L
V
M
P
F
I
T
L
A
S
D
F
S
Y
F
--
D
R
N
K
Y
L
I
-----
S
L
K
E
Y
L
N
I
P
V
F
E
I
I
V
Y
F
G
V
G
L
I
V
F
Y
V
F
R
A
L
L
N
A
Y
Y
F
H
L
L
A
R
F
S
K
G
R
K
H
A
I
A
Y
K
V
F
S
K
F
L
N
---
I
N
Y
E
K
F
T
Q
-
K
N
Q
-
S
E
I
L
----
K
S
I
T
G
E
V
Y
N
---
L
S
T
-
M
I
S
S
F
L
L
L
M
S
E
I
F
V
V
L
L
L
Y
A
L
M
L
--
L
I
N
Y
K
I
T
L
F
L
---
S
I
F
M
V
L
N
A
F
I
L
V
K
I
L
S
P
I
I
K
K
A
G
L
R
R
E
E
A
M
K
N
F
F
E
I
L
N
T
N
-----
L
N
N
F
K
--
F
I
K
L
K
T
K
E
D
G
V
L
S
L
F
K
A
Q
S
E
A
F
S
K
A
N
-----
I
T
N
E
S
----------
V
A
A
V
P
R
I
Y
L
E
---
G
I
G
F
C
V
L
V
-
F
I
V
V
F
L
---
V
L
K
N---
E
S
D
I
S
G
I
L
S
T
I
S
I
F
V
L
A
L
Y
R
L
M
P
--
S
A
N
R
I
I
T
S
Y
H
D
L
L
Y
Y
H
S
S
L
N
I
I
Y
Q
N
L
R
Q
E
----
E
E
N
--------
L
-----
G
E
G
K
L
S
F
N
Q
E
L
K
I
C
N
L
S
F
G
Y
E
-
G
K
--
K
--
Y
L
--
F
K
N
L
N
L
N
I
K
K
G
E
K
I
A
F
I
G
E
S
G
C
G
K
S
T
L
V
D
L
I
I
G
L
L
K
P
K
---
E
G
Q
I
L
I
D
K
Q
E
L
N
A
--
S
N
A
K
N
Y
R
Q
K
I
G
Y
I
P
Q
N
I
Y
L
F
N
D
-
S
I
A
K
N
I
T
F
G
-
D
---
A
---
V
------
D
E
E
K
L
N
K
V
I
K
Q
A
N
L
E
-
H
F
I
-
K
N
L-
P
-
Q
-
G
V
Q
T
K
V
G
D
G
G
S
N
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
Y
L
E
P
E
I
L
V
L
D
Q
A
T
S
A
L
D
T
Q
S
E
A
K
I
M
D
E
I
Y
K
I
S
--
K
D
K
T
M
I
I
I
A
H
R
L
S
T
I
-
T
Q
C
D
K
V
Y
R
L
E
H
-
G
K
L
K
E
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
85.82
39%
-111
- C1 -
5C78
1
?
D:
[2-559]
-----------------------------------------------------------
V
K
K
L
F
F
I
L
S
K
E
D
K
N
F
L
F
F
L
L
V
F
S
V
F
V
-
S
F
I
E
T
F
A
I
-------
S
L
V
M
P
F
I
T
L
A
S
D
F
S
Y
F
--
D
R
N
K
Y
L
I
-----
S
L
K
E
Y
L
N
I
P
V
F
E
I
I
V
Y
F
G
V
G
L
I
V
F
Y
V
F
R
A
L
L
N
A
Y
Y
F
H
L
L
A
R
F
S
K
G
R
K
H
A
I
A
Y
K
V
F
S
K
F
L
N
---
I
N
Y
E
K
F
T
Q
-
K
N
Q
-
S
E
I
L
----
K
S
I
T
G
E
V
Y
N
---
L
S
T
-
M
I
S
S
F
L
L
L
M
S
E
I
F
V
V
L
L
L
Y
A
L
M
L
--
L
I
N
Y
K
I
T
L
F
L
---
S
I
F
M
V
L
N
A
F
I
L
V
K
I
L
S
P
I
I
K
K
A
G
L
R
R
E
E
A
M
K
N
F
F
E
I
L
N
T
N
-----
L
N
N
F
K
--
F
I
K
L
K
T
K
E
D
G
V
L
S
L
F
K
A
Q
S
E
A
F
S
K
A
N
-----
I
T
N
E
S
----------
V
A
A
V
P
R
I
Y
L
E
---
G
I
G
F
C
V
L
V
-
F
I
V
V
F
L
---
V
L
K
N---
E
S
D
I
S
G
I
L
S
T
I
S
I
F
V
L
A
L
Y
R
L
M
P
--
S
A
N
R
I
I
T
S
Y
H
D
L
L
Y
Y
H
S
S
L
N
I
I
Y
Q
N
L
R
Q
E
----
E
E
N
--------
L
-----
G
E
GK
L
S
F
N
Q
E
L
K
I
C
N
L
S
F
G
Y
E
-
G
K
--
K
--
Y
L
--
F
K
N
L
N
L
N
I
K
K
G
E
K
I
A
F
I
G
E
S
G
C
G
K
S
T
L
V
D
L
I
I
G
L
L
K
P
K
---
E
G
Q
I
L
I
D
K
Q
E
L
N
A
--
S
N
A
K
N
Y
R
Q
K
I
G
Y
I
P
Q
N
I
Y
L
F
N
D
-
S
I
A
K
N
I
T
F
G
-
D
---
A
---
V
------
D
E
E
K
L
N
K
V
I
K
Q
A
N
L
E
-
H
F
I
-
K
N
L-
P
-
Q
-
G
V
Q
T
K
V
G
D
G
G
S
N
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
Y
L
E
P
E
I
L
V
L
D
Q
A
T
S
A
L
D
T
Q
S
E
A
K
I
M
D
E
I
Y
K
I
S
--
K
D
K
T
M
I
I
I
A
H
R
L
S
T
I
-
T
Q
C
D
K
V
Y
R
L
E
H
-
G
K
L
K
E
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
84.17
39%
-113
- C1 -
5C78
2
?
B:
[2-559]
-----------------------------------------------------------
V
K
K
L
F
F
I
L
S
K
E
D
K
N
F
L
F
F
L
L
V
F
S
V
F
V
-
S
F
I
E
T
F
A
I
-------
S
L
V
M
P
F
I
T
L
A
S
D
F
S
Y
F
--
D
R
N
K
Y
L
I
-----
S
L
K
E
Y
L
N
I
P
V
F
E
I
I
V
Y
F
G
V
G
L
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V
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Y
V
F
R
A
L
L
N
A
Y
Y
F
H
L
L
A
R
F
S
K
G
R
K
H
A
I
A
Y
K
V
F
S
K
F
L
N
---
I
N
Y
E
K
F
T
Q
-
K
N
Q
-
S
E
I
L
----
K
S
I
T
G
E
V
Y
N
---
L
S
T
-
M
I
S
S
F
L
L
L
M
S
E
I
F
V
V
L
L
L
Y
A
L
M
L
--
L
I
N
Y
K
I
T
L
F
L
---
S
I
F
M
V
L
N
A
F
I
L
V
K
I
L
S
P
I
I
K
K
A
G
L
R
R
E
E
A
M
K
N
F
F
E
I
L
N
T
N
-----
L
N
N
F
K
--
F
I
K
L
K
T
K
E
D
G
V
L
S
L
F
K
A
Q
S
E
A
F
S
K
A
N
-----
I
T
N
E
S
----------
V
A
A
V
P
R
I
Y
L
E
---
G
I
G
F
C
V
L
V
-
F
I
V
V
F
L
---
V
L
K
N---
E
S
D
I
S
G
I
L
S
T
I
S
I
F
V
L
A
L
Y
R
L
M
P
--
S
A
N
R
I
I
T
S
Y
H
D
L
L
Y
Y
H
S
S
L
N
I
I
Y
Q
N
L
R
Q
E
----
E
E
N
--------
L
-----
G
E
GK
L
S
F
N
Q
E
L
K
I
C
N
L
S
F
G
Y
E
-
G
K
--
K
--
Y
L
--
F
K
N
L
N
L
N
I
K
K
G
E
K
I
A
F
I
G
E
S
G
C
G
K
S
T
L
V
D
L
I
I
G
L
L
K
P
K
---
E
G
Q
I
L
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D
K
Q
E
L
N
A
--
S
N
A
K
N
Y
R
Q
K
I
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Y
I
P
Q
N
I
Y
L
F
N
D
-
S
I
A
K
N
I
T
F
G
-
D
---
A
---
V
------
D
E
E
K
L
N
K
V
I
K
Q
A
N
L
E
-
H
F
I
-
K
N
L-
P
-
Q
-
G
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V
G
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L
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G
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L
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A
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Q
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A
K
I
M
D
E
I
Y
K
I
S
--
K
D
K
T
M
I
I
I
A
H
R
L
S
T
I
-
T
Q
C
D
K
V
Y
R
L
E
H
-
G
K
L
K
E
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
82.25
39%
-115
- C1 -
5C76
-
?
A:
[2-559]
-----------------------------------------------------------
V
K
K
L
F
F
I
L
S
K
E
D
K
N
F
L
F
F
L
L
V
F
S
V
F
V
-
S
F
I
E
T
F
A
I
-------
S
L
V
M
P
F
I
T
L
A
S
D
F
S
Y
F
--
D
R
N
K
Y
L
I
-----
S
L
K
E
Y
L
N
I
P
V
F
E
I
I
V
Y
F
G
V
G
L
I
V
F
Y
V
F
R
A
L
L
N
A
Y
Y
F
H
L
L
A
R
F
S
K
G
R
K
H
A
I
A
Y
K
V
F
S
K
F
L
N
---
I
N
Y
E
K
F
T
Q
-
K
N
Q
-
S
E
I
L
----
K
S
I
T
G
E
V
Y
N
---
L
S
T
-
M
I
S
S
F
L
L
L
M
S
E
I
F
V
V
L
L
L
Y
A
L
M
L
--
L
I
N
Y
K
I
T
L
F
L
---
S
I
F
M
V
L
N
A
F
I
L
V
K
I
L
S
P
I
I
K
K
A
G
L
R
R
E
E
A
M
K
N
F
F
E
I
L
N
T
N
-----
L
N
N
F
K
--
F
I
K
L
K
T
K
E
D
G
V
L
S
L
F
K
A
Q
S
E
A
F
S
K
A
N
-----
I
T
N
E
S
----------
V
A
A
V
P
R
I
Y
L
E
---
G
I
G
F
C
V
L
V
-
F
I
V
V
F
L
---
V
L
K
N---
E
S
D
I
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G
I
L
S
T
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S
I
F
V
L
A
L
Y
R
L
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--
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R
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H
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L
L
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L
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I
Y
Q
N
L
R
Q
E
----
E
E
N
--------
L
-----
G
E
G
K
L
S
F
N
Q
E
L
K
I
C
N
L
S
F
G
Y
E
-
G
K
--
K
--
Y
L
--
F
K
N
L
N
L
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I
K
K
G
E
K
I
A
F
I
G
E
S
G
C
G
K
S
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L
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D
L
I
I
G
L
L
K
P
K
---
E
G
Q
I
L
I
D
K
Q
E
L
N
A
--
S
N
A
K
N
Y
R
Q
K
I
G
Y
I
P
Q
N
I
Y
L
F
N
D
-
S
I
A
K
N
I
T
F
G
-
D
---
A
---
V
------
D
E
E
K
L
N
K
V
I
K
Q
A
N
L
E
-
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A
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D
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A
K
I
M
D
E
I
Y
K
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S
--
K
D
K
T
M
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I
I
A
H
R
L
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T
I
-
T
Q
C
D
K
V
Y
R
L
E
H
-
G
K
L
K
E
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
76.57
39%
-93
- C1 -
5C73
-
?
C:
[2-559]
-----------------------------------------------------------
V
K
K
L
F
F
I
L
S
K
E
D
K
N
F
L
F
F
L
L
V
F
S
V
F
V
-
S
F
I
E
T
F
A
I
-------
S
L
V
M
P
F
I
T
L
A
S
D
F
S
Y
F
--
D
R
N
K
Y
L
I
-----
S
L
K
E
Y
L
N
I
P
V
F
E
I
I
V
Y
F
G
V
G
L
I
V
F
Y
V
F
R
A
L
L
N
A
Y
Y
F
H
L
L
A
R
F
S
K
G
R
K
H
A
I
A
Y
K
V
F
S
K
F
L
N
---
I
N
Y
E
K
F
T
Q
-
K
N
Q
-
S
E
I
L
----
K
S
I
T
G
E
V
Y
N
---
L
S
T
-
M
I
S
S
F
L
L
L
M
S
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I
F
V
V
L
L
L
Y
A
L
M
L
--
L
I
N
Y
K
I
T
L
F
L
---
S
I
F
M
V
L
N
A
F
I
L
V
K
I
L
S
P
I
I
K
K
A
G
L
R
R
E
E
A
M
K
N
F
F
E
I
L
N
T
N
-----
L
N
N
F
K
--
F
I
K
L
K
T
K
E
D
G
V
L
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L
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K
A
Q
S
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A
F
S
K
A
N
-----
I
T
N
E
S
----------
V
A
A
V
P
R
I
Y
L
E
---
G
I
G
F
C
V
L
V
-
F
I
V
V
F
L
---
V
L
K
N---
E
S
D
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I
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S
T
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L
A
L
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--
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L
L
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N
L
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E
----
E
E
N
--------
L
-----
G
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GK
L
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F
N
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N
L
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--
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L
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L
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G
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L
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L
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K
---
E
G
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L
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K
Q
E
L
N
A
--
S
N
A
K
N
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Y
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---
A
---
V
------
D
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L
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A
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L
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L
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L
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A
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A
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D
T
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S
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A
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D
E
I
Y
K
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--
K
D
K
T
M
I
I
I
A
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R
L
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T
I
-
T
Q
C
D
K
V
Y
R
L
E
H
-
G
K
L
K
E
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
114
HHSearch
72.68
23%
-111
- C1 -
3WMG
6
?
A:
[14-572]
-----------------------------------------------------------
A
R
R
I
F
A
L
A
W
S
S
S
A
T
M
I
V
I
G
F
I
A
S
I
L
E
-
G
A
T
L
P
A
F
A
-------
I
V
F
G
R
M
F
Q
V
F
T
K
S
K
S
Q
I
----------------------
E
-
G
E
T
W
K
Y
S
V
G
F
V
G
I
G
V
F
E
F
I
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A
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A
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G
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A
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R
L
A
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D
L
R
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A
A
F
S
N
L
V
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---
Q
D
V
T
Y
F
D
R
-
R
K
A
-
G
E
L
G
----
G
K
L
N
N
D
V
Q
V
---
I
Q
Y
-
S
F
S
K
L
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A
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L
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L
A
Q
C
V
V
G
I
I
V
A
F
--
I
F
A
P
A
L
T
G
V
L
---
I
A
L
-
S
P
L
V
V
L
A
V
V
V
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M
I
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M
S
G
N
T
K
R
S
S
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A
Y
A
S
A
G
S
V
A
A
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V
-----
F
S
N
I
R
--
T
T
K
A
F
E
A
E
R
Y
E
T
Q
R
Y
G
S
K
L
D
P
L
Y
R
L
G
-----
R
R
R
Y
I
----------
S
D
G
L
F
F
G
L
S
M
---
L
V
I
F
C
V
Y
A
-
L
A
L
W
W
G
---
G
Q
L
----
I
A
R
G
S
L
N
L
G
N
L
L
T
A
F
F
S
A
I
L
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F
M
--
G
V
G
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A
A
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W
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G
L
G
A
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--
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R
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PDPG
A
E
V
V
T
-----
Q
P
--
L
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V
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V
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V
--
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--
L
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A
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V
G
G
S
G
A
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K
S
T
I
I
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L
L
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R
F
Y
D
I
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PQG
G
G
L
L
L
F
D
G
T
P
A
W
N
--
Y
D
F
H
A
L
R
S
Q
I
G
L
V
S
Q
E
P
V
L
F
S
G
-
T
I
R
D
N
I
L
Y
G
K
R
---
D
---
A
------
T
D
E
E
V
I
Q
A
L
R
E
A
N
A
Y
-
S
F
V
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M
A
L-
P
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D
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G
L
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G
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A
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A
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M
A
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V
I
A
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R
L
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T
V
-
A
R
A
D
L
I
L
V
M
Q
D
-
G
V
V
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
71.30
28%
-105
- C1 -
4F4C
1
PGP1_CAEEL
A:
[61-623]
----------------------------------------------------------
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
N
Y
T
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
DV
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
105
Fugue
64.00
27%
-107
- C1 -
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
PTGQN
Y
T
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
GD
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
GSLN
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
DV
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
QG
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
113
HHSearch
62.69
22%
-104
- C1 -
3ZDQ
6
ABCBA_HUMAN
A:
[7-561]
-----------------------------------------------------------
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
R
PE
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
PSS
V
------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
103
Fugue
60.90
22%
-89
- C1 -
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
QE
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
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
HG
V
Y
A
Q
L
H
K
M
QFG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
60.48
31%
-88
- C1 -
4M1M
3
MDR1A_MOUSE
A:
[112-594]
-------------------------------------------------------------------------------------------------------------------------------------------------
Y
Y
Y
T
G
I
G
A
G
V
L
I
V
A
Y
I
Q
V
S
F
W
C
L
A
A
G
R
----
Q
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
K
S
G
H
K
-----------------------
P
--
D
N
I
Q
G
N
L
E
F
K
N
I
H
F
S
Y
P
-
S
R
--
K
--
E
V
QI
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
EDV
T
---
M
------
D
E
--
I
E
K
A
V
K
E
A
N
A
Y
-
D
F
I
-
M
K
LP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
111
HHSearch
59.97
25%
-84
- C1 -
3B60
2
MSBA_SALTY
A:
[70-558]
------------------------------------------------------------------------------------------------------------------------------------------------------
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
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
T
E--
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
59.92
31%
-91
- C1 -
4M2S
1
MDR1A_MOUSE
B:
[112-594]
-------------------------------------------------------------------------------------------------------------------------------------------------
Y
Y
Y
T
G
I
G
A
G
V
L
I
V
A
Y
I
Q
V
S
F
W
C
L
A
A
G
R
----
Q
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
K
S
G
H
K
-----------------------
P
--
D
N
I
Q
G
N
L
E
F
K
N
I
H
F
S
Y
P
-
S
R
--
K
--
E
V
QI
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
EDV
T
---
M
------
D
E
--
I
E
K
A
V
K
E
A
N
A
Y
-
D
F
I
-
M
K
LP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
59.23
31%
-90
- C1 -
4M1M
3
MDR1A_MOUSE
B:
[112-594]
-------------------------------------------------------------------------------------------------------------------------------------------------
Y
Y
Y
T
G
I
G
A
G
V
L
I
V
A
Y
I
Q
V
S
F
W
C
L
A
A
G
R
----
Q
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
K
S
G
H
K
-----------------------
P
--
D
N
I
Q
G
N
L
E
F
K
N
I
H
F
S
Y
P
-
S
R
--
K
--
E
V
QI
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
EDV
T
---
M
------
D
E
--
I
E
K
A
V
K
E
A
N
A
Y
-
D
F
I
-
M
K
LP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
58.63
31%
-87
- C1 -
4M2S
1
MDR1A_MOUSE
A:
[112-594]
-------------------------------------------------------------------------------------------------------------------------------------------------
Y
Y
Y
T
G
I
G
A
G
V
L
I
V
A
Y
I
Q
V
S
F
W
C
L
A
A
G
R
----
Q
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
K
S
G
H
K
-----------------------
P
--
D
N
I
Q
G
N
L
E
F
K
N
I
H
F
S
Y
P
-
S
R
--
K
--
E
V
QI
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
EDV
T
---
M
------
D
E
--
I
E
K
A
V
K
E
A
N
A
Y
-
D
F
I
-
M
K
LP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
58.41
31%
-92
- C1 -
4M2T
2
MDR1A_MOUSE
B:
[112-594]
-------------------------------------------------------------------------------------------------------------------------------------------------
Y
Y
Y
T
G
I
G
A
G
V
L
I
V
A
Y
I
Q
V
S
F
W
C
L
A
A
G
R
----
Q
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
K
S
G
H
K
-----------------------
P
--
D
N
I
Q
G
N
L
E
F
K
N
I
H
F
S
Y
P
-
S
R
--
K
--
E
V
QI
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
EDV
T
---
M
------
D
E
--
I
E
K
A
V
K
E
A
N
A
Y
-
D
F
I
-
M
K
LP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
57.98
31%
-88
- C1 -
4M2T
2
MDR1A_MOUSE
A:
[112-594]
-------------------------------------------------------------------------------------------------------------------------------------------------
Y
Y
Y
T
G
I
G
A
G
V
L
I
V
A
Y
I
Q
V
S
F
W
C
L
A
A
G
R
----
Q
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
K
S
G
H
K
-----------------------
P
--
D
N
I
Q
G
N
L
E
F
K
N
I
H
F
S
Y
P
-
S
R
--
K
--
E
V
QI
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
EDV
T
---
M
------
D
E
--
I
E
K
A
V
K
E
A
N
A
Y
-
D
F
I
-
M
K
LP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
57.75
31%
-90
- C1 -
3G60
1
MDR1A_MOUSE
B:
[112-594]
-------------------------------------------------------------------------------------------------------------------------------------------------
Y
Y
Y
T
G
I
G
A
G
V
L
I
V
A
Y
I
Q
V
S
F
W
C
L
A
A
G
R
----
Q
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
TRLT
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
GF
T
R
G
W
K
L
T
L
V
I
LAI
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
RTVIA
F
G
G
Q
K
KE
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
GAAFL
L
I
Y
A
S
YALAFWYGTS
L
V
I
S
K
E
Y
S
I
G
QVL
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
K
S
G
H
K
-----------------------
P
--
D
N
I
Q
G
N
L
E
F
K
N
I
H
F
S
Y
P
-
S
R
--
K
--
E
V
QI
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
EDV
T
---
M
------
D
E
--
I
E
K
A
V
K
E
A
N
A
Y
-
D
F
I
-
M
K
LP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
57.75
31%
-88
- C1 -
3G61
2
MDR1A_MOUSE
A:
[112-594]
-------------------------------------------------------------------------------------------------------------------------------------------------
Y
Y
Y
T
G
I
G
A
G
V
L
I
V
A
Y
I
Q
V
S
F
W
C
L
A
A
G
R
----
Q
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
GF
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
K
S
G
H
K
-----------------------
P
--
D
N
I
Q
G
N
L
E
F
K
N
I
H
F
S
Y
P
-
S
R
--
K
--
E
V
QI
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
EDV
T
---
M
------
D
E
--
I
E
K
A
V
K
E
A
N
A
Y
-
D
F
I
-
M
K
LP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
57.67
44%
-110
- C1 -
2FFA
2
A:
[8-220]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
A
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
57.66
44%
-108
- C1 -
1XEF
3
HLYBP_ECOLX
B:
[2-214]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
A
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
57.12
44%
-108
- C1 -
2FGJ
2
HLYBP_ECOLX
A:
[8-220]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
A
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
57.02
44%
-114
- C1 -
1XEF
3
HLYBP_ECOLX
C:
[2-214]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
A
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
57.01
44%
-113
- C1 -
2FGJ
2
HLYBP_ECOLX
C:
[8-220]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
A
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
56.95
44%
-112
- C1 -
2FF7
1
A:
[8-220]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
H
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
56.91
44%
-113
- C1 -
2PMK
1
A:
[4-216]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
H
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
56.59
44%
-112
- C1 -
2FGK
2
HLYBP_ECOLX
B:
[8-220]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
Q
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
H
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
56.02
44%
-112
- C1 -
2FGK
2
D:
[8-220]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
Q
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
H
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
56.00
44%
-109
- C1 -
1XEF
3
D:
[2-214]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
A
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
55.61
44%
-108
- C1 -
1XEF
3
HLYBP_ECOLX
A:
[2-214]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
A
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
55.51
44%
-105
- C1 -
2FGK
2
HLYBP_ECOLX
A:
[8-220]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
Q
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
H
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
55.46
44%
-106
- C1 -
2FGK
2
HLYBP_ECOLX
C:
[8-220]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
Q
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
H
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
55.44
44%
-109
- C1 -
2FGJ
2
D:
[8-220]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
A
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
54.77
44%
-110
- C1 -
2FGJ
2
HLYBP_ECOLX
B:
[8-220]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
T
F
R
N
I
R
F
R
Y
K
-
P
D
--
S
--
P
V
I-
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
Y
I
P
E
---
N
G
Q
V
L
I
D
G
H
D
L
A
L
--
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
V
L
L
N
R
-
S
I
I
D
N
I
S
L
A
-
N
P--
G
---
M
------
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
-
D
F
I
-
S
E
L-
R
-
E
-
G
Y
N
T
I
V
G
E
Q
G
A
G
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
--
K
G
R
T
V
I
I
I
A
A
R
L
S
T
V
-
K
N
A
D
R
I
I
V
M
E
K
-
G
K
I
V
E
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
120
HHSearch
47.56
35%
-91
* C1 *
3VX4
3
?
A:
[29-247]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
G--
T
------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
47.04
38%
-100
- C1 -
3VX4
3
?
A:
[35-245]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
KE-
G
---
T
------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
118
HHSearch
45.34
31%
-80
- C1 -
3FVQ
3
FBPC_NEIG1
A:
[3-219]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
A
L
H
I
G
H
L
S
K
S
F
Q
-
N
T
-----
P
V
--
L
N
D
I
S
L
S
L
D
P
G
E
I
L
F
I
I
G
A
S
G
C
G
K
T
T
L
L
R
C
L
A
G
F
E
Q
P
D
---
S
G
E
I
S
L
S
G
K
T
I
F
S
KN
T
N
L
P
V
R
E
R
R
L
G
Y
L
V
Q
E
G
V
L
F
P
H
L
T
V
Y
R
N
I
A
Y
G
L
G
---
N
---
G
KGRT
A
Q
E
R
Q
R
I
E
A
M
L
E
L
T
G
I
S
-
E
---------------
L
A
G
R
Y
P
H
E
L
S
G
G
Q
Q
Q
R
A
A
L
A
R
A
L
A
P
D
P
E
L
I
L
L
D
E
P
F
S
A
L
D
E
Q
L
R
R
Q
I
R
E
D
M
I
A
A
L
R
A
N
G
K
S
A
V
F
V
S
H
D
R
E
E
A
L
Q
Y
A
D
R
I
A
V
M
K
Q
-
G
R
I
L
Q
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
121
HHSearch
43.93
36%
-89
- C1 -
1MV5
3
LMRA_LACLA
A:
[2-217]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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--
D
---
Y
------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------