@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : jhp_1241: (2015-12-22 )
MRYDCLNPIPFIRKFMPLSCLHPFGPFETPKEPALNNPLLKAHSSDKICLLGPMKSGKTTFALKLAKGFKNPVYINCNDMRLNQNILSSWLLKWHLEKKMDLLILDRIERLDFSLPKLPKIVLIPNYLSHITAPNFSLCYALGLNFKEYISFFKPNTPKNTLFNRFLRDGNALDSLFTENEQEKILKKQENIQLAFQAYAPLMAKICSYQSKFVSAFYLYTQLKKELKTSKDTLYKLLHALEKQRIIFLAPNFENHKTKLYLCDFALPYSLTPSPSLLNVFENMVFLELYKQFPNYELYAHDNGIFILRNPTSKLALIAHAFPTPHFLEKQLLWCHKHGFLKIAVVSINAPISANNPPYKHLNFIDFSLDIQSILV
Atome Classification :
(20 SA)
.........10........20........30--.-........40.....-----...50........60........---70--..-----.....--..80..----.----.....90......-.--.100.........110..-.---....120.------.....----.130.......140.......150..---....----.----160....--------...170.......180....---..----.190......-----.-----200-.......--.--.210.......220.......230.......240.......250..--.....260.......-----270.......280....----...290.......300.......310.......320.......330.-.-.....340.......350.......360.......370....---------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MRYDCL
N
P
I
P
F
I
R
K
FMPLSCLHPFGPFETP---K-EPALNNPLLKAHSSD-----
K
I
C
L
LGPMKSG
K
T
T
F
A
L
K
L
A
KGF---K---N
P
-----
V
Y
I
NC--NDMRL
N
----
Q
----
N
I
L
S
S
W
L
L
K
W
H
L
E
-K--K
M
--
D
L
L
I
L
D
R
I
E
R
LDFS-L---PKL
P
K
I
V
L------I
P
N
Y
L
----
S
H
ITAPN
F
S
L
C
Y
ALGL
N
F
K
E
Y
I
S
F
FK---PNTP----
K
----
N
T
L
F
N
R
F
--------LRDG
N
A
L
D
S
L
FT
E
N
E
Q
E
K
I
L
---
K
K
----QENI
Q
L
A
F
Q
A
-----
Y
-----
A
---
P
L
M
A
K
I
C
--
S
--
Y
Q
S
K
F
V
S
A
F
Y
L
Y
T
Q
L
K
K
E
LKT
S
K
D
T
L
Y
K
L
L
H
A
LEKQ
R
I
I
F
LAPNFE--NH
K
T
K
L
Y
L
C
DFALPY-----SLTPS
P
S
L
L
N
V
F
E
N
M
V
F
----
L
E
L
Y
K
QFPN
Y
E
L
Y
A
HD
N
G
I
F
I
L
RNPTS
K
L
A
L
I
A
HAFPT
P
H
F
L
E
K
Q
L
L
-
W
-
C
HKHG
F
L
K
I
A
V
V
S
INAPISANNPPYK
H
L
N
F
I
D
F
S
L
D
I
Q
S
ILV---------------------------------------------------------------------------------------------------
22
Fugue
70.61
12%
-65
- C1 -
1FNN
2
?
A:
[2-389]
-------
A
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H
R
E
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---
Q
-
L
Q
Q
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---
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TT
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----
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-
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---
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M
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------
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--
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----
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A
---
F
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A
----
L
----
V
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G
H
N
D
--------
A
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N
L
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T
----
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D
I
L
L
D
-----
R
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A
---
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--
S
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Y
S
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HI
A
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E
V
L
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G
-----
I
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P
L
H
E
K
L
F
L
----
L
A
I
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L
K
I
S
-----
H
T
P
Y
I
T
F
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A
E
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C
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G
E
R
P
R
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H
S
Q
L
W
S
Y
-
L
N
D
L
R
E
K
G
I
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E
T
R
Q
N
T
T
L
I
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I
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T
E
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D
T
L
E
A
V
I
T
K
L
I
K
E
E
L
R
---------------------------------------------------------------------------------------------------
30
Fugue
68.62
16%
-90
- C1 -
3KJH
1
?
A:
[1-254]
-------------------------------------------------
M
-----
K
L
A
V
A
G
K
G
G
V
G
K
T
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V
A
A
G
L
I
K
I
M
---
A
------------------------------------------------------------------------
S
D
Y
D
K
I
Y
A
------
V
D
G
D
----------
P
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T
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G
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A
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A
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P
---
L
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M
----
K
----
D
E
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R
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K
T
--------
G
D
G
G
L
L
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N
P
K
V
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L
D
K
------------------------------------------------
Y
G
R
Y
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D
D
K
I
F
L
I
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M
G
E
I
K
K
G
G
S
Q
------
C
Y
C
R
E
N
S
F
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G
S
V
V
S
A
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--
L
D
K
K
E
A
V
V
M
D
M
G
A
G
I
-----
E
H
L
T
R
G
T
A
K
A
V
D
M
M
I
A
V
I
E
PN
L
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I
K
T
G
L
N
I
E
K
L
A
G
D
L
G
I
-------
K
K
V
R
Y
V
I
N
K
V
R
N
I
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E
E
K
L
I
K
K
-
H
-
L
P
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D
K
I
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E
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A
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N
L
H
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Y
Q
K
L
R
L
E
V
G--------------------------------------------------------------------------------------------
39
HHSearch
66.33
14%
-77
- C1 -
1V43
-
?
A:
[11-227]
---------------
V
E
V
K
-
L
E
N
L
T
K
R
F
G
N
-----
F
T
A
V
N
K
L
N
L
T
I
K
D
G
E
-----
F
L
V
L
L
G
P
S
G
C
G
K
T
T
T
L
R
M
I
A
G
L
E
---
E
PT
E
G
R
-----
I
Y
F
G
D
--
R
D
V
T
Y
L
----
P
-----
P
K
D
R
N
I
S
M
V
F
Q
---------
H
M
T
V
Y
E
N
I
A
F
-
P
L
------
K
K
F
P
K
-----------
D
E
I
-----
D
K
R
V
R
W
--
A
A
E
--
L
L
Q
I
E
E
L
L
N
R
Y
P
---
A
Q
L
S
GGQ
R
Q
----
R
V
A
V
A
R
A
--------
I
V
V
--
E
P
D
V
L
L
M
D
-
E
P
-----------------
L
S
N
L
D
A
-----
K
L
R
V
A
M
R
---
A
E
I
K
K
L
Q
--
Q
K
L
K
V
T
T
I
Y
V
T
H
D
Q
V
E
A
---------
M
T
M
G
D
R
I
A
V
M
N
R
G
Q
L
L
Q
I
G
S
P
T
E
--
V
Y
L
R
P
N
S
V
F
V
A
T
F
I
G
-----
A
P
E
M
N
I
L
E
V
S
V
G
D
G
Y
L
E
----
G
R
G
F
R
I
E
L
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Q
M
D
L
L
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D
Y
V
G
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T
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L
F
G
I
R
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E
H
M
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H
M
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-
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-
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F
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L
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G
H
I
P
I
E
P
G
R
E
V
K
V
I
M
D
---------------------------------------------------------------------------------------------------
43
HHSearch
62.81
15%
-59
- C1 -
1OXX
21
?
K:
[4-225]
-----------------
I
I
-
V
K
N
V
S
K
V
F
K
K
G--
K
-
V
V
A
L
D
N
V
N
I
N
I
E
N
G
E
-----
R
F
G
I
L
G
P
S
G
A
G
K
T
T
F
M
R
I
I
A
G
L
D
---
V
PST
G
E
-----
L
Y
F
D
D
--
R
L
V
A
S
N
GKLI
V
----
P
P
E
D
R
K
I
G
M
V
F
Q
T
-
W
AL
Y
P
--
N
L
T
A
F
E
N
I
A
F
-
P
L
T
-
N
---
M
K
M
S
K
-----------
E
E
I
-----
R
K
R
V
E
E
--
V
A
K
--
I
L
D
I
H
H
V
L
N
H
F
P
---
R
E
L
S
GAQQ
Q
----
R
V
A
L
A
R
A
--------
L
V
K
--
D
P
S
L
L
L
L
D
-
E
P
-----------------
F
S
N
L
D
A
RMRDS
A
-----
R
---
A
L
V
K
E
V
Q
--
S
RL
G
V
T
L
L
V
V
S
H
D
P
A
D
I
---------
F
A
I
A
D
R
V
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V
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V
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G
K
L
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P
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--
L
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D
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V
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V
A
S
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I
G
-----
E
I
N
E
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E
G
K
V
T
N
E
G
V
V
I
G
----
S
L
R
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P
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S
S
D
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A
I
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I
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Y
-
Q
-
G
G
L
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R
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E
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E
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F
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Y
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L
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V
R
K
D
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I
K
V
---------------------------------------------------------------------------------------------------
29
Fugue
61.58
8%
-70
- C1 -
1Y63
15
?
A:
[6-179]
--------------------------------------------
E
Q
P
K
G
I
-----
N
I
L
I
T
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T
P
G
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T
S
M
A
E
M
I
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E
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---
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---
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F
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Q
H
L
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V
--
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K
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K
E
----
N
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H
F
Y
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E
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T
H
-
I
--
I
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--
E
K
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M
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----
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R
A
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N
M
E
A
--------
E
I
Q
C
I
C
E
E
E
A
R
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A
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E
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D
I
V
L
---
V
R
E
N
DT
L
E
Q
M
A
A
T
V
E
E
-----
I
-----
R
---
E
R
V
E
V
L
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
Fugue
59.80
12%
-62
- C1 -
3NBX
2
RAVA_ECOLI
X:
[5-499]
H
P
H
L
L
A
E
R
I
S
R
L
S
S
S
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E
K
G
L
Y
E
-----------
R
-
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H
A
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L
C
L
L
A
A
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S
G
E
-----
S
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P
P
G
I
A
K
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I
A
R
R
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K
F
A
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---
Q
---
N
A
-----
R
A
F
E
Y
LM
T
R
F
S
T
P
----
E
----
E
V
F
G
P
L
S
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R
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T
S
G
-
Y
--
L
P
EA
E
I
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D
E
I
W
K
A
G
P
A
-
I
---
L
N
T
L
L
T
A
I
------
N
E
R
Q
F
RNGA
H
V
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K
I
P
M
R
L
L
V
A
A
S
N
-------
E
L
P
E
---
A
D
S
S
----
L
----
E
A
L
Y
D
R
M
LIRLWLDK
V
Q
D
K
A
N
F
R
S
M
L
T
S
Q
Q
D
E
N
D
N
---
P
V
----
P
D
A
L
Q
V
T
D
E
E
-----
Y
-----
E
---
R
W
Q
K
E
I
G
--
E
--
I
T
L
P
-
D
H
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A
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K
A
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A
S
A
F
F
--
S
G
R
S
A
V
A
P
V
D
L
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L
L
K
DCLWY
D
A
Q
S
L
N
L
I
Q
Q
Q
I
D
V
L
M
T
----
G
H
A
W
Q
Q
Q
G
M
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R
L
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L
Q
Q
Q
Q
S
D
K
T
A
L
T
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I
R
L
G
G
I
F
S
R
R
Q
Q
-
Y
Q
L
P
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V
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A
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L
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L
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P
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L
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A
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G
GEIRGKLNGIGFAQKLNLEVDSAQHLVVRDVSLQGSTLALPGSLPGEIKQQLEELESDWRKQHALFSEQQKCLFIPGDWLGRIEASLQDVGAQIRQAQQ
25
Fugue
59.13
15%
-47
- C1 -
1KAG
-
AROK_ECOLI
A:
[3-171]
-----------------------------------------------
E
K
R
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N
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F
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G
P
M
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K
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T
I
G
R
Q
L
A
Q
Q
L
-------
N
M
-----
E
F
Y
D
S
--
D
Q
E
I
E
K
----
R
----
T
G
A
D
---
V
G
W
V
F
D
-
L
--
E
G
--
E
E
G
F
R
D
R
E
E
K
V
I
N
E
-
L
---
T
E
K
Q
G
I
V
L
ATGGGS
V
K
S
R
E
----
T
R
N
R
L
S
A
R
G
V
V
V
Y
L
E
T
T
I
E
K
Q
L
A
R
T
P
---
L
L
H
V
----
E
----
T
P
P
R
E
V
L
--------
E
A
L
A
N
E
R
N
P
L
Y
E
E
I
A
D
V
T
I
-----
S
----
A
K
V
V
A
N
Q
I
I
H
-----
M
-----
L
---
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
58.90
16%
-49
- C1 -
3B60
2
MSBA_SALTY
A:
[338-539]
-------------
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
DID
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
G
T
H
S
E
L
L
A
Q
H
G
V
Y
A
Q
--
L
H
K
M
Q
F
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
HHSearch
58.87
18%
-56
- C1 -
2FF7
1
A:
[7-204]
----------------
D
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
PE
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
G
K
H
K
E
L
L
S
E
P
E
S
L
Y
S
--
Y
L
Y
Q
L
Q
S
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
58.67
17%
-43
- C1 -
3ZDQ
-
ABCBA_HUMAN
A:
[338-542]
-------------
F
Q
G
A
L
E
-
F
K
N
V
H
F
A
Y
P
A
RP-
E
-
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
DPA
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
G
K
H
E
E
L
L
S
K
P
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
58.24
15%
-60
- C1 -
2IT1
-
?
A:
[6-218]
--------------------
L
E
N
I
V
K
K
F
G
N
-----
F
T
A
L
N
N
I
N
L
K
I
K
D
G
E
-----
F
M
A
L
L
G
P
S
G
S
G
K
S
T
L
L
Y
T
I
A
G
I
Y
---
K
PT
S
G
K
-----
I
Y
F
D
E
--
K
D
V
T
E
L
----
P
-----
P
K
D
R
N
V
G
L
V
F
Q
N
-
W
AL
Y
P
--
H
M
T
V
Y
K
N
I
A
F
-
P
L
E
-
L
---
R
K
A
P
R
-----------
E
E
I
-----
D
K
K
V
R
E
--
V
A
K
--
M
L
H
I
D
K
L
L
N
R
Y
P
---
W
Q
L
S
G
G
Q
Q
Q
----
R
V
A
I
A
R
A
--------
L
V
K
--
E
P
E
V
L
L
L
D
-
E
P
-----------------
L
S
N
L
D
A
L
L
R
L
E
V
-----
R
---
A
E
L
K
R
L
Q
--
K
E
L
G
I
T
T
V
Y
V
T
H
D
Q
A
E
A
---------
L
A
M
A
D
R
I
A
V
I
R
E
G
E
I
L
Q
V
G
T
P
D
E
--
V
Y
Y
K
P
K
Y
K
F
V
G
G
F
L
G
-----
N
P
P
M
N
F
V
E
A
K
V
E
D
G
K
L
V
----
I
T
E
K
S
K
L
P
I
P
K
Q
Y
V
E
I
V
K
E
T
G
I
T
E
V
I
I
G
F
R
P
H
D
A
E
I
V
K
G
E
G
E
G
I
V
G
E
-
V
-
Y
S
F
E
P
L
G
R
E
Q
I
V
T
V
S
V
N
D
S
I
V
K
V
F
A
P
E
G
E
H
F
S
F
G
E
K
V
T
I
K
V
K
---------------------------------------------------------------------------------------------------
45
HHSearch
56.78
14%
-55
- C1 -
3FVQ
3
FBPC_NEIG1
A:
[5-223]
-----------------
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
PD
S
G
E
-----
I
S
L
S
G
--
K
T
I
F
S
K
N
T
N
-
L
----
P
V
R
E
R
R
L
G
Y
L
V
Q
E
-
G
VL
F
P
--
H
L
T
V
Y
R
N
I
A
Y
-
G
L
G
-
N
---
G
K
G
R
T
-----------
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
A
S
P
H
E
--
L
Y
R
Q
P
A
D
L
D
A
A
L
F
I
G
-----
E
G
I
V
F
P
A
A
L
N
A
D
G
T
A
D
C
----
R
L
G
R
L
P
V
Q
S
G
A
P
A
G
T
R
G
T
L
L
I
R
P
E
Q
Y
S
L
H
P
H
S
A
P
A
A
S
I
H
A
V
V
L
K
T
T
P
-
K
-
A
R
H
T
E
I
S
L
R
A
G
Q
T
V
L
T
L
N
L
L
S
D
G
I
S
A
V
L
H
L
D
G
P
A
L
F
F
P
G
------------------------------------------------------------------------------------------------------
35
HHSearch
56.58
12%
-60
- C1 -
1Z47
1
?
A:
[13-230]
---------------
M
T
I
E
-
F
V
G
V
E
K
I
Y
P
G
---
G
-
A
R
S
V
R
G
V
S
F
Q
I
R
E
G
E
-----
M
V
G
L
L
G
P
S
G
S
G
K
T
T
I
L
R
L
I
A
G
L
E
---
R
PT
K
G
D
-----
V
W
I
G
G
--
K
R
V
T
D
L
----
P
-----
P
Q
K
R
N
V
G
L
V
F
Q
N
-
Y
AL
F
Q
--
H
M
T
V
Y
D
N
V
S
F
-
G
L
R
-
E
---
K
R
V
P
K
-----------
D
E
M
-----
D
A
R
V
R
E
--
L
L
R
F
--
M
R
L
E
S
Y
A
N
R
F
P
---
H
E
L
S
G
G
Q
Q
Q
----
R
V
A
L
A
R
A
--------
L
A
P
--
R
P
Q
V
L
L
F
D
-
E
P
-----------------
F
A
A
I
D
T
Q
I
R
R
E
L
-----
R
---
T
F
V
R
Q
V
H
--
D
E
M
G
V
T
S
V
F
V
T
H
D
Q
E
E
---------
A
L
E
V
A
D
R
V
L
V
L
H
E
G
N
V
E
Q
F
G
T
P
E
E
--
V
Y
E
K
P
G
T
L
F
V
A
S
F
I
G
-----
E
S
N
V
W
T
R
A
V
Q
N
G
R
I
E
V
A
----
G
A
A
L
P
V
D
P
A
V
S
E
G
S
E
V
A
V
V
V
R
P
K
D
V
E
L
Q
P
A
S
E
R
E
A
H
A
Q
V
V
R
S
A
F
K
G
S
-
Y
-
S
A
C
W
I
R
T
K
D
G
E
V
W
E
V
H
V
P
S
A
D
R
H
R
W
S
P
G
A
W
V
H
M
N
V
T
R
W
F
I
F
P
---------------------------------------------------------------------------------------------------
37
HHSearch
56.48
11%
-74
* C1 *
3TUI
1
METN_ECOLI
C:
[23-247]
---------------
H
M
I
K
-
L
S
N
I
T
K
V
F
H
Q
GTR
T
-
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
-----
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
---
R
PTE
G
S
-----
V
L
V
D
G
--
Q
E
L
T
T
L
----
S
ESEL
T
K
A
R
R
Q
I
G
M
I
F
Q
H
-
F
NL
L
S
--
S
R
T
V
F
G
N
V
A
L
-
P
L
E
-
L
---
D
N
T
P
K
D
E
V
------
K
----------
R
R
V
T
E
--
L
L
S
L
--
V
G
L
G
D
K
H
D
S
Y
P
---
S
N
L
S
GGQK
Q
----
R
V
A
I
A
R
A
--------
L
A
S
--
N
P
K
V
L
L
C
D
-
Q
A
-----------------
T
S
A
L
D
P
ATTRS
I
-----
L
---
E
L
L
K
D
I
N
--
R
RL
G
L
T
I
L
L
I
T
H
E
M
D
V
-
V
--------
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
--
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----
S
T
L
H
L
D
I
P
E
D
Y
Q
E
R
L
Q
A
----
E
P
F
T
D
C
V
P
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
-
V
-
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
G
Y
V
---------------------------------------------------------------------------------------------------------
41
HHSearch
56.26
12%
-59
- C1 -
2YYZ
3
?
A:
[6-218]
--------------------
V
V
N
L
K
K
Y
F
G
----
K
-
V
K
A
V
D
G
V
S
F
E
V
K
D
G
E
-----
F
V
A
L
L
G
P
S
G
C
G
K
T
T
T
L
L
M
L
A
G
I
Y
---
K
PT
S
G
E
-----
I
Y
F
D
D
--
V
L
V
N
D
I
----
P
-----
P
K
Y
R
E
V
G
M
V
F
Q
N
-
Y
AL
Y
P
--
H
M
T
V
F
E
N
I
A
F
-
P
L
R
-
A
---
R
R
I
S
K
-----------
D
E
V
-----
E
K
R
V
V
E
--
I
A
R
--
K
L
L
I
D
N
L
L
D
R
K
P
---
T
Q
L
S
G
G
Q
Q
Q
----
R
V
A
L
A
R
A
--------
L
V
K
--
Q
P
K
V
L
L
F
D
-
E
P
-----------------
L
S
N
L
D
A
N
L
R
M
I
M
-----
R
---
A
E
I
K
H
L
Q
--
Q
E
L
G
I
T
S
V
Y
V
T
H
D
Q
A
E
---------
A
M
T
M
A
S
R
I
A
V
F
N
Q
G
K
L
V
Q
Y
G
T
P
D
E
--
V
Y
D
S
P
K
N
M
F
V
A
S
F
I
G
-----
N
P
P
T
N
F
L
R
D
F
S
V
S
V
E
N
K
----
Q
T
I
L
K
R
D
D
V
I
I
K
L
P
E
P
V
D
V
K
L
K
E
V
V
V
G
I
R
P
E
H
C
R
I
S
R
E
R
V
E
N
S
I
P
G
V
-
V
-
Y
V
V
E
P
L
G
R
D
I
I
V
N
V
K
T
E
K
G
E
I
I
K
V
F
G
D
T
G
K
A
P
Q
P
G
E
N
V
F
L
V
P
---------------------------------------------------------------------------------------------------
46
HHSearch
55.24
13%
-51
- C1 -
3D31
-
?
A:
[4-210]
--------------------
I
E
S
L
S
R
K
W
K
------
N
F
S
L
D
N
L
S
L
K
V
E
S
G
E
-----
Y
F
V
I
L
G
P
T
G
A
G
K
T
L
F
L
E
L
I
A
G
F
H
---
V
PD
S
G
R
-----
I
L
L
D
G
--
K
D
V
T
D
L
----
S
-----
P
E
K
H
D
I
A
F
V
Y
Q
N
-
Y
SL
F
P
--
H
M
N
V
K
K
N
L
E
F
-
G
M
R
-
M
---
K
K
I
K
D
----------
P
K
R
------
V
L
D
T
-----
A
R
--
D
L
K
I
E
H
L
L
D
R
N
P
---
L
T
L
S
G
G
E
Q
Q
----
R
V
A
L
A
R
A
--------
L
V
T
--
N
P
K
I
L
L
L
D
-
E
P
-----------------
L
S
A
L
D
P
RT
Q
E
N
A
-----
R
---
E
M
L
S
V
L
H
--
K
KN
K
L
T
V
L
H
I
T
H
D
Q
T
E
A
---------
R
I
M
A
D
R
I
A
V
V
M
D
G
K
L
I
Q
V
G
K
P
E
E
--
I
F
E
K
P
V
E
G
R
V
A
S
F
V
G
-----
F
E
N
V
L
K
G
R
V
I
S
A
E
Q
G
L
L
----
R
I
R
V
G
E
V
V
I
D
A
A
G
D
M
E
V
G
D
Q
V
Y
A
F
L
R
P
E
N
I
A
L
S
K
S
S
T
Q
S
S
I
R
N
S
L
Q
G
-
R
-
V
T
E
A
W
V
L
G
A
L
V
R
V
K
V
D
C
G
V
P
L
N
V
L
I
T
R
R
S
A
E
E
M
E
L
S
P
G
V
Q
I
Y
---------------------------------------------------------------------------------------------------
42
HHSearch
54.79
12%
-61
- C1 -
3RLF
3
MALK_ECOLI
A:
[4-218]
-----------------
V
Q
-
L
Q
N
V
T
K
A
W
G
----
E
-
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
-----
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
---
T
IT
S
G
D
-----
L
F
I
G
E
--
K
R
M
N
D
T
----
P
-----
P
A
E
R
G
V
G
M
V
F
Q
S
-
Y
AL
Y
P
--
H
L
S
V
A
E
N
M
S
F
-
G
L
K
-
L
---
A
G
A
K
K
-----------
E
V
I
-----
N
Q
R
V
N
Q
--
V
A
E
--
V
L
Q
L
A
H
L
L
D
R
K
P
---
K
A
L
S
G
G
Q
R
Q
----
R
V
A
I
G
R
T
--------
L
V
A
--
E
P
S
V
F
L
L
D
-
E
P
-----------------
L
S
N
L
D
A
-----
A
L
R
V
Q
M
R
---
I
E
I
S
R
L
H
--
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
---------
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
--
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
-----
S
P
K
M
N
F
L
P
V
K
V
T
A
T
A
I
D
----
Q
V
Q
V
E
L
P
M
P
N
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
-
L
-
E
G
E
V
Q
V
V
E
Q
L
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
---------------------------------------------------------------------------------------------------
44
HHSearch
54.60
15%
-44
- C1 -
3NH6
2
A:
[51-249]
--------------
K
G
R
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
IS
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
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
48.95
8%
-71
- C1 -
3GD7
2
CFTR_HUMAN (first)
A:
[12-213]
--------
D
I
W
P
S
-
G
G
Q
M
T
-
V
K
D
L
T
A
K
Y
T
E
G--
G
-
N
A
I
L
E
N
I
S
F
S
I
S
P
G
Q
-----
R
V
G
L
L
G
R
T
G
S
G
K
S
T
L
L
S
A
F
L
R
L
L
---
N
T
E
-
G
E
-----
I
Q
I
D
G
--
V
S
W
D
S
I
T---
L
----
E
Q
W
R
K
A
F
G
V
I
P
Q
K
-
V
F
-
I
F
--
S
G
T
F
R
K
N
L
D
P
-
N
A
A
-
H
---
S
-
D
Q
E
I
W
K
------
V
A
D
E
-------
V
G
L
R
S
--
V
I
E
Q
F
P
G
K
L
D
F
V
L
V
D
G
G
---
C
V
L
S
H
G
H
K
Q
----
L
M
C
L
A
R
S
--------
V
L
S
--
K
A
K
I
L
L
L
D
-
E
P
-----------------
S
A
H
L
D
P
-----
V
T
Y
Q
I
I
R
---
R
T
L
K
Q
A
F
--
A
--
D
C
T
V
I
L
C
E
A
R
I
E
A
M
L
E
C
D
Q
F
L
V
I
E
E
N
K
V
R
Q
Y
D
S
I
L
E
L
Y
H
Y
P
A
D
R
F
V
--
A
G
F
I
G
S
P
K
M
N
F
L
P
V
K
-----
V
T
A
T
A
I
D
Q
V
Q
V
E
L
P
M
P
N
----
R
Q
Q
V
W
L
P
V
E
S
R
D
V
Q
V
G
A
N
M
S
L
G
I
R
P
E
H
L
L
P
S
D
I
A
D
V
I
L
E
G
E
V
Q
V
V
E
Q
-
L
-
G
N
E
T
Q
I
H
I
Q
I
P
S
I
R
Q
N
L
V
Y
R
Q
N
D
V
V
L
V
E
E
G
A
T
F
A
I
G
L
P
P
E
R
C
---------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
48.15
24%
-76
- C2 -
1J7K
1
RUVB_THEMA
A:
[40-121]
-------------------------------------
A
L
E
A
A
K
M
R
G
E
V
L
D
-----
H
V
L
L
A
G
P
P
G
L
G
K
T
T
L
A
H
I
I
A
S
E
L
---
Q
---
T
N
-----
I
H
V
T
S
--
G
P
V
L
V
K
----
Q
----
G
D
M
A
A
I
L
T
S
L
----
E
--
R
G
--
D
V
L
F
I
D
E
I
H
R
L
N
K
A
-
V
---
E
E
L
L
Y
S
A
I
------
E
D
F
Q
I
----
D
I
I
D
I
Q
P
F
T
L
V
G
A
T
T
R
S
G
L
L
S
S
P
L
R
S
---
R
F
G
I
----
I
----
L
E
L
D
F
Y
T
--------
V
K
E
L
K
E
I
I
K
R
A
A
S
L
M
D
V
E
I
E
---
D
A
----
A
A
E
M
I
A
K
R
S
R
-----
G
-----
T
---
G
R
I
A
I
R
L
--
T
--
K
R
V
R
D
M
L
T
V
V
K
A
D
R
I
N
T
D
I
V
L
K
T
M
E
V
L
N
I
D
D
E
G
L
D
E
F
D
R
K
I
L
K
T
I
I
--
E
I
Y
R
G
G
P
V
G
L
N
A
L
A
A
-----
S
L
G
V
E
A
D
T
L
S
E
V
Y
E
P
Y
L
----
L
Q
A
G
F
L
A
R
T
P
R
G
R
I
V
T
E
K
A
Y
K
H
L
K
Y
E
V
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------