@TOME V2.3
(Mar 2018)
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 : Q3Y2H5: (2018-01-30 )
MSLKNKIRRFMEKKNLNPMNNRKKVGIILFATSIGLFFLFAVRFSYIVIGGHVAGTSLAEKTKQLYQGSEVVKAKRGTIYDRNGVALAEDASSYSIKAILSKTYTSGDKKLYVEEKNFDKIAEILHKNLSIDKKDALNILEDGAKKELYQVEFGSYGKNISQETKQNIEADMKKEGVAGLYFVDHQARMYPNGVFSSHFIGYAVPDKDENGLVGKLGLESAYNDILSGKDGKIIYQKDNFQNPLPGTVAEEEKAVDGQDIYTTLDSRLQSYLETLMDQVNEEYQPEELTAVLMKAKTGEILAMGQRPTFNPETMEGLTGKDAIWRNFLVQDSYEPGSTMKVFTTAAAIEEGEFNENETFQSGKIQVEDATINDHDFGEKGVLTMRQALSWSSNVGMVILEQRLGGRWYNYLQKLGFGQSTHSGLDDEVNGALPTSNIVDRAMSAYGQAVGVTNFQMMKAFTSIANNGTMIQPRYISKVVDPQTGEERTTQTEVLGQPFSKETTEKVREYMRDVVESENYGSAYGVYSVPGYNVSAKTGTAQIASDTGGYQTGDTAYLYSIVEMVPSEDPDYVLYLTMKHPKTYDRMALAKIANPLMKRAMDFKETEEDSDTETKTEKVSVADYRNLEADVAAADAQKSGLQPVVIGNGKKVQKQSTANGDQLISGEKLILYTGGDKLMPDVTGWSKADIMKLGKILGIEVSFDGDGYCVKQELAPYEKITEDKLSFTLEE
Atome Classification :
(20 SA)
.........10........20........30........40........50........60........70........80........90........100.....-..-110........120.......130.......140...-....150.......160.......170.......180.......190.......200......----.210--.---........220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......--360..-......370....----..----.----380........390.......400.-.-.----.-...410.......420.......430....---...440.......450.......460.......470.......480...-.-...490.......500.......510.......520----...------.------.-------....530.......540..-.-.-...550.......560.......570..----.....580----.----......590....--...600....------...610--.......------620.......630.......640.......650.......660.......670.......680.......690.......700..--..-...710.......720-........730
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
S
L
K
N
K
I
R
R
F
M
E
KKNLNPMNNR
K
K
V
G
I
I
L
F
A
T
S
I
G
L
F
F
L
F
A
V
R
F
S
Y
I
V
I
GGHVAG
T
S
L
A
E
K
T
K
Q
L
YQGS
E
V
V
KAKR
G
T
I
YDRNG
V
A
LAEDASS
Y
S
I
K
A
I
L
S
K
TYTSG-D
K
-
K
-
L
Y
V
EEK
N
F
D
K
I
A
E
I
L
H
K
NLSI
D
K
K
D
A
L
N
I
L
EDGAK-K
E
L
Y
Q
V
EFGSYGKNI
S
Q
E
T
K
Q
N
I
E
A
D
M
K
KEGV
A
G
L
Y
F
VDHQARMYPNGVFSSHFI
G
Y
AVPDKD----EN----G---
L
V
GKLG
L
E
S
A
Y
N
D
I
LSGKD
G
K
I
I
Y
QKDNFQNPLPGTV
A
E
E
EKAVDG
Q
D
I
Y
T
T
L
D
S
R
L
Q
S
Y
L
E
T
L
M
D
Q
VNEEY
Q
P
E
E
L
T
A
V
L
M
KAKTG
E
I
L
AMGQRPTF
N
P
E
T
MEGLTG
K
D
A
I
W
R
N
F
L
VQDSYEPGS
T
M
K
V
F
T
T
A
A
AIEEGEFNENETF--QS-G
K
-
I
Q
V
E
DATINDHDF----GE----
K
----
G
-
V
L
T
M
R
Q
A
LSWSSNV
G
M
V
I
L
E
Q
RL-G-
G
----
R
-
W
Y
N
Y
L
Q
K
LGFGQSTHSGLDDEVNGALP
T
S
N
---
I
V
D
R
A
M
S
A
YGQAVGV
T
N
F
Q
M
M
K
A
F
T
S
IANN
G
T
M
I
Q
P
R
Y
I
S
K
VVDPQTGE-E-RT
T
Q
T
E
VLGQPF
S
K
E
T
T
E
K
V
R
E
Y
M
R
D
V
V
ESENYG------SAY------G------V-------YSVPG
Y
N
V
SAKTG
T
A
Q
IAS-D-T-GGYQTG
D
T
A
Y
L
Y
S
I
V
E
MVPSEDP
D
Y
V
L
Y
----
L
T
MKHPK
T
----
Y
----
D
R
M
A
L
A
K
I
A
N
P
L
M
--
K
R
A
MDFKETE------EDSDTE--TKT
E
K
V
S
------VADYRNLE
A
D
V
AAA
D
A
Q
KSGLQ
P
V
V
IGNG
K
K
V
Q
KQSTANGDQLISG
E
K
L
I
L
Y
TGGDKLMPDVTGW
S
K
A
D
I
M
K
L
G
K
I
L
G
I
E
V
S
FDG--D
G
-
Y
C
V
K
Q
ELA
P
Y
E
K
I
T
E
--
D
K
L
S
F
TLEE
4
PsiBlast_PDB
84.63
40%
-
- C1 -
-
1PMD
-
PBPX_STRPN
A:
[76-730]
---------------------------------------------------------------------------
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
S
Y
N
V
Y
A
V
I
D
E
N
Y
K
S
A
-
T
G
-
K
I
L
Y
V
E
K
T
Q
F
N
K
V
A
E
V
F
H
K
Y
L
D
M
E
E
S
---
Y
V
R
E
Q
L
S
Q
-
P
N
L
K
Q
V
S
F
G
A
K
G
N
G
I
T
Y
A
N
M
M
S
I
K
K
E
L
E
A
A
E
V
K
G
I
D
F
T
T
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
----
E
D
----
G
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
I
I
T
Y
E
K
D
R
L
G
N
I
V
P
G
T
E
Q
V
S
Q
R
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
E
GLTG
G
----
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
-
E
K
N
-
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
L
------
N
L
Q
T
T
A
--
K
A
L
E
Q
V
S
Q
Q
S
P
Y
P
M
P
S
V
K
D
I
S
P
G
D
L
A
E
E
L
R
R
N
L
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
L
A
K
W
L
N
I
E
L
E
F
Q
G
--
S
G
-
S
T
V
Q
K
Q
--------------------
1
PsiBlast_PDB
84.29
40%
58
- C1 -
-
1RP5
-
PBPX_STRPN
A:
[16-682]
---------------------------------------------------------------
K
V
H
Q
T
T
R
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
S
Y
N
V
Y
A
V
I
D
E
N
Y
K
S
A
-
T
G
-
K
I
L
Y
V
E
K
T
Q
F
N
K
V
A
E
V
F
H
K
Y
L
D
M
E
E
S
---
Y
V
R
E
Q
L
S
Q
-
P
N
L
K
Q
V
S
F
G
A
K
G
N
G
I
T
Y
A
N
M
M
S
I
K
K
E
L
E
T
A
E
V
K
G
I
D
F
T
T
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
----
E
D
----
G
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
I
I
T
Y
E
K
D
R
L
G
N
I
V
P
G
T
E
Q
V
S
Q
Q
T
V
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
E
GLTG
G
----
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
M
S
A
F
G
Q
G
I
S
V
T
Q
T
Q
M
L
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
L
Y
D
P
N
D
Q
S
-
V
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
E
A
A
S
V
T
R
D
H
M
V
M
V
G
T
D
P
T
Y
G
------
T
M
Y
NHSTGK
A
------
T
-------
V
N
V
P
G
Q
N
V
A
L
K
S
G
T
A
E
I
A
D
-
E
K
N
-
G
G
Y
L
T
G
S
T
N
N
I
F
S
V
V
S
M
H
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
E
S
L
------
N
L
Q
T
T
A
--
K
A
L
E
Q
V
S
Q
Q
S
P
Y
P
M
P
S
V
K
D
I
S
P
G
D
L
A
E
E
L
R
R
N
L
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
F
A
K
W
L
N
I
E
L
E
F
E
G
--
S
G
-
S
T
V
Q
K
Q
--------------------
5
PsiBlast_PDB
83.09
39%
64
- C1 -
-
5U47
-
?
A:
[24-705]
-------------------------------------------------------------------
T
K
T
I
V
A
A
K
R
G
T
I
Y
D
R
N
G
N
V
L
A
E
D
S
T
S
Y
S
I
Y
A
I
V
S
T
S
Y
V
S
P
-
T
R
E
K
-
L
Y
V
Q
E
S
Q
F
D
K
V
A
D
I
L
K
D
K
L
G
I
K
K
S
Y
T
L
A
Q
L
R
---
T
-
K
G
A
Y
Q
V
S
F
G
L
K
G
K
G
I
T
Y
S
V
K
E
D
L
E
K
T
F
K
D
A
G
I
K
G
M
A
F
E
A
T
T
S
R
M
Y
P
N
G
T
F
A
S
E
F
L
G
R
A
E
P
I
E
N
----
K
K
DG
S
Y
S
---
L
I
G
Q
T
G
L
E
R
S
L
N
S
L
L
T
G
T
D
G
E
A
I
Y
E
K
D
K
D
G
N
T
L
L
G
T
E
T
I
T
K
E
A
I
D
G
K
N
I
Y
T
T
L
S
A
P
L
Q
T
F
L
E
T
Q
M
D
T
F
M
E
Q
T
K
G
I
N
A
S
A
T
V
V
N
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
Y
N
S
D
T
L
E
G
Q
A
K
K
G
Y
D
W
V
N
R
L
Y
E
A
Q
Y
E
P
G
S
T
M
K
V
M
L
L
S
A
A
I
N
N
G
S
F
N
P
N
A
T
Y
--
S
N
-
A
N
G
I
K
V
G
D
V
E
I
N
D
W
S
I
----
N
E
GIS-
K
----
G
R
T
M
S
F
A
Q
G
F
S
Y
S
S
N
V
G
M
T
M
L
E
Q
A
M
-
G
-
D
----
K
V
W
S
N
Y
L
S
L
Y
K
F
G
I
P
T
R
F
G
M
V
G
E
S
S
G
-
I
V
S
Q
N
---
S
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
V
Q
M
L
R
A
F
T
A
I
S
N
N
G
I
M
L
E
P
Q
F
I
K
Q
V
A
D
T
N
K
G
T
-
V
-
R
T
A
K
K
E
V
I
G
K
P
V
S
K
Q
A
A
S
E
T
R
N
Y
M
I
S
V
G
T
D
P
E
F
G
------
T
L
Y
------
N
KSEGSP
I
-------
I
Q
V
G
N
N
D
V
T
V
K
S
G
T
A
Q
V
P
D
-
E
K
T
-
G
T
Y
K
V
G
T
N
E
T
L
N
S
V
V
A
M
V
P
S
E
D
P
E
Y
I
M
Y
----
V
T
V
Q
E
P
K
T
----
W
----
N
N
N
F
F
A
T
V
V
N
P
V
L
--
E
E
A
M
S
M
G
A
T
L
------
D
T
S
V
S
E
GS
G
K
T
E
E
T
S
Y
Q
----
T
G
D
I
I
G
K
T
P
G
E
T
A
N
T
L
R
Q
N
L
V
H
P
I
V
L
G
V
G
N
K
I
E
K
V
S
V
D
A
K
E
N
I
K
A
N
E
Q
I
L
I
M
T
N
E
F
T
E
L
P
D
M
Y
G
W
T
K
K
N
V
E
T
F
A
K
W
K
G
I
K
I
T
Y
K
G
GK
S
G
-
T
V
T
K
Q
S
V
A
A
G
E
A
L
S
K
T-
K
K
I
T
I
T
L
--
25
HHSearch
82.07
39%
47
- C1 -
-
5U47
-
?
A:
[24-707]
-------------------------------------------------------------------
T
K
T
I
V
A
A
K
R
G
T
I
Y
D
R
N
G
N
V
L
A
E
D
S
T
S
Y
S
I
Y
A
I
V
S
T
S
Y
V
S
P
T
R
E
-
K
-
L
Y
V
Q
E
S
Q
F
D
K
V
A
D
I
L
K
D
K
L
G
I
K
K
S
Y
T
L
A
Q
L
R
T
K
G
A
Y
Q
V
S
F
G
----
L
K
G
K
G
I
T
Y
S
V
K
E
D
L
E
K
T
F
K
D
A
G
I
K
G
M
A
F
E
A
T
T
S
R
M
Y
P
N
G
T
F
A
S
E
F
L
G
R
A
E
P
I
E
N
KKDG
S
Y
----
S
---
L
I
G
Q
T
G
L
E
R
S
L
N
S
L
L
T
G
T
D
G
E
A
I
Y
E
K
D
K
D
G
N
T
L
L
G
T
E
T
I
T
K
E
A
I
D
G
K
N
I
Y
T
T
L
S
A
P
L
Q
T
F
L
E
T
Q
M
D
T
F
M
E
Q
T
K
G
I
N
A
S
A
T
V
V
N
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
Y
N
S
D
T
L
E
G
Q
A
K
K
G
Y
D
W
V
N
R
L
Y
E
A
Q
Y
E
P
G
S
T
M
K
V
M
L
L
S
A
A
I
N
N
G
S
F
N
P
N
A
T
Y
--
S
N
A
N
G
-
I
K
V
G
D
V
E
I
N
D
W
S
I
N
E
GI
S
K
----
G
----
R
-
T
M
S
F
A
Q
G
F
S
Y
S
S
N
V
G
M
T
M
L
E
Q
A
M
-
G
D
K
----
V
-
W
S
N
Y
L
S
L
Y
K
F
G
I
P
T
R
F
G
M
V
G
E
S
S
G
I
V
S
Q
-
N
---
S
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
V
Q
M
L
R
A
F
T
A
I
S
N
N
G
I
M
L
E
P
Q
F
I
K
Q
V
A
D
T
N
-
K
G
T
V
-
R
T
A
K
K
E
V
I
G
K
P
V
S
K
Q
A
A
S
E
T
R
N
Y
M
I
S
V
G
T
D
P
E
F
G
------
T
--------
L
Y-----
N
KSEGSPI
I
Q
V
G
N
N
D
V
T
V
K
S
G
T
A
Q
V
P
D
E
K
-
T
-
G
T
Y
K
V
G
T
N
E
T
L
N
S
V
V
A
M
V
P
S
E
D
P
E
Y
I
M
Y
----
V
T
V
Q
E
P
K
T
WNNN
F
----
F
A
T
V
V
N
P
V
L
E
E
A
M
--
S
M
G
A
T
L
-
D
T
S
------
V
S
E
G
S
G
K-
T
E
E
T
S
Y
Q
------
T
G
D
I
I
G
K
T
P
G
E
T
A
N
T
L
R
Q
N
L
V
H
P
I
V
L
G
V
G
N
K
I
E
K
V
S
V
D
A
K
E
N
I
K
A
N
E
Q
I
L
I
M
T
N
E
F
T
E
L
P
D
M
Y
G
W
T
K
K
N
V
E
T
F
A
K
W
K
G
I
K
I
T
Y
K
G
GK
S
G
-
T
V
T
K
Q
S
V
A
A
G
E
A
L
S
K
T-
K
K
I
T
I
T
L
G
D
3
PsiBlast_PDB
80.89
40%
32
- C1 -
-
1PYY
1
PBPX_STRR6
A:
[25-682]
------------------------------------------------------------------------
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
S
Y
N
V
Y
A
-----------------------
N
K
V
A
E
V
F
H
K
Y
L
D
M
E
E
S
---
Y
V
R
E
Q
L
--------
V
S
F
G
A
K
G
N
G
I
T
Y
A
N
M
M
S
------------------
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
----
E
D
----
G
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
-------------------------
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
A
F
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
E
GLTG
G
----
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
-
E
K
N
-
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
L
------
N
L
Q
T
T
A
--
K
A
L
E
Q
V
S
Q
Q
S
P
Y
P
M
P
S
V
K
D
I
S
P
G
D
L
A
E
E
L
R
R
N
L
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
L
A
K
W
L
N
I
E
L
E
F
Q
G
--
S
G
-
S
T
V
Q
K
Q
--------------------
50
Fugue
79.20
41%
35
- C1 -
-
1QME
-
PBPX_STRPN
A:
[23-702]
----------------------------------------------------------------------
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
------------------------------------------------------------------------------------------------
P
I
A
E
D
A
T
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
----
E
D
----
G
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
R
---------------------
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
E
----
G
LTG
G
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
-
D
A
---
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
-
E
-
K
N
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
-----------
L
N
--
L
Q
Q
S
P
Y
P
------
M
P
S
V
K
D
I
S
P
G
D
L
A
E
E
L
R
R
N
L
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
L
A
K
W
L
N
I
E
L
E
F
Q
G
--
S
G
-
S
T
V
Q
K
Q
D
V
R
A
N
T
A
I
K
DI
K
K
I
T
L
T
L
G
D
2
PsiBlast_PDB
77.87
40%
34
- C1 -
-
1QME
-
PBPX_STRPN
A:
[23-682]
----------------------------------------------------------------------
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
------------------------------------------------------------------------------------------------
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
----
E
D
----
G
S
K
S
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
---------------------
R
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
E
GLTG
G
----
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
-
E
K
N
-
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
L
------
N
L
Q
------------
Q
S
P
Y
P
-
M
P
S
V
K
D
I
S
P
G
D
L
A
E
E
L
R
R
N
L
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
L
A
K
W
L
N
I
E
L
E
F
Q
G
--
S
G
-
S
T
V
Q
K
Q
--------------------
26
HHSearch
76.32
40%
38
- C1 -
-
1QME
-
PBPX_STRPN
A:
[23-702]
----------------------------------------------------------------------
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
------------------------------------------------------------------------------------------------
S
P
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
EDG-
S
K
----
S
---
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
---------------------
R
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
N
E
GL
T
G
----
G
----
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
-
D
Q
T
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
TMYNHS
T
--------
G
K-----
P
T------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
E
K
-
N
-
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
S
G
I
Q
L
G
E
F
A
N
P
I
L
E
R
A
S
A
M
K
D
S
L
N
L
Q
-------------------
Q
S
P
Y
P
------
M
P
S
V
K
D
I
S
P
G
D
L
A
E
E
L
R
R
N
L
V
Q
P
I
V
V
G
T
G
T
K
I
K
N
S
S
A
E
E
G
K
N
L
A
P
N
Q
Q
V
L
I
L
S
D
K
A
E
E
V
P
D
M
Y
G
W
T
K
E
T
A
E
T
L
A
K
W
L
N
I
E
L
E
F
Q
G
--
S
G
S
T
V
Q
K
Q
D
V
R
A
N
T
A
I
K
D
I-
K
K
I
T
L
T
L
G
D
49
Fugue
71.10
42%
51
- C1 -
-
1K25
-
?
A:
[67-750]
------------------------------------------------------------------
Q
I
T
R
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
S
Y
N
V
Y
A
V
T
T
S
P
---------------------------------------------------------------------------------------
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
----
E
D
----
G
SKS
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
I
I
T
Y
G
-----
N
I
V
P
G
T
E
L
V
S
Q
Q
T
V
D
G
K
D
V
Y
T
T
L
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
L
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
N
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
A
M
K
V
M
T
L
A
S
S
I
D
N
N
T
F
P
S
G
E
Y
F
--
N
S
-
S
E
-
L
---------------------------------------
S
S
N
V
G
M
S
L
L
E
Q
K
M
-
G
-
D
A
---
T
-
W
L
D
Y
L
K
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
S
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
L
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
T
N
N
Q
S
-
V
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
E
A
A
S
T
T
R
N
H
M
I
L
V
G
T
D
P
-------------------L-----
I
-------
I
T
V
P
G
Q
N
V
A
V
K
S
G
T
A
Q
I
A
D
-
E
-
K
N
G
G
Y
L
V
G
S
T
N
Y
I
F
S
A
V
T
M
N
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
T
P
I
L
--
E
R
A
S
A
M
K
E
S
L
NLQSPA
K
N
L
D
K
V
--
T
T
E
S
S
Y
A
------
M
P
S
I
K
D
I
S
P
G
E
L
A
E
A
L
R
R
N
I
V
Q
P
I
V
V
G
T
G
T
K
I
K
E
T
S
V
E
E
G
T
N
L
A
P
N
Q
Q
V
L
L
L
S
D
K
V
E
E
I
P
D
M
Y
G
W
K
K
E
T
A
E
T
F
A
K
W
L
D
I
E
L
E
F
E
G
--
S
G
-
S
V
V
Q
K
Q
D
V
R
T
N
T
A
I
K
NI
K
K
I
K
L
T
L
G
D
51
Fugue
70.66
42%
57
- C1 -
-
1K25
-
?
A:
[67-750]
------------------------------------------------------------------
Q
I
T
R
T
V
P
A
K
R
G
T
I
Y
D
R
N
G
V
P
I
A
E
D
A
T
S
Y
N
V
Y
A
V
T
T
S
P
---------------------------------------------------------------------------------------
N
R
S
Y
P
N
G
Q
F
A
S
S
F
I
G
L
A
Q
L
H
E
N
----
E
D
----
G
SKS
L
L
G
T
S
G
M
E
S
S
L
N
S
I
L
A
G
T
D
G
I
I
T
Y
G
-----
N
I
V
P
G
T
E
L
V
S
Q
Q
T
V
D
G
K
D
V
Y
T
T
L
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
L
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
N
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
A
M
K
V
M
T
L
A
S
S
I
D
N
N
T
F
P
S
G
E
Y
F
--
N
S
-
S
E
----------------------------------------
L
S
S
N
V
G
M
S
L
L
E
Q
K
M
-
G
-
D
A
---
T
-
W
L
D
Y
L
K
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
S
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
L
R
A
F
T
A
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A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
T
N
N
Q
S
-
V
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
E
A
A
S
T
T
R
N
H
M
I
L
V
G
T
D
P
L
I
-------------------------------
I
T
V
P
G
Q
N
V
A
V
K
S
G
T
A
Q
I
A
D
E
K
-
N
-
G
G
Y
L
V
G
S
T
N
Y
I
F
S
A
V
T
M
N
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
T
P
I
L
--
E
R
A
S
A
M
K
E
S
L
NLQSPA
K
N
L
D
K
V
--
T
T
E
S
S
Y
A
------
M
P
S
I
K
D
I
S
P
G
E
L
A
E
A
L
R
R
N
I
V
Q
P
I
V
V
G
T
G
T
K
I
K
E
T
S
V
E
E
G
T
N
L
A
P
N
Q
Q
V
L
L
L
S
D
K
V
E
E
I
P
D
M
Y
G
W
K
K
E
T
A
E
T
F
A
K
W
L
D
I
E
L
E
F
E
G
--
S
G
-
S
V
V
Q
K
Q
D
V
R
T
N
T
A
I
K
NI
K
K
I
K
L
T
L
G
D
28
HHSearch
69.50
34%
59
- C1 -
-
5TRO
-
?
B:
[26-554]
-----------------------------------------------------------------------
Q
Q
P
E
R
G
K
I
Y
D
R
N
G
K
V
L
A
E
D
V
E
R
Y
K
L
V
A
V
I
D
K
K
A
S
A
N
S
K
K
-
P
-
R
H
V
V
--
D
K
K
E
T
A
K
K
L
S
T
V
I
N
M
K
P
E
E
I
E
K
R
L
S
Q
----
K
K
A
F
Q
I
E
F
G
R
K
G
T
N
L
T
Y
Q
D
K
L
K
I
----
E
K
M
N
L
P
G
I
S
L
L
P
E
T
E
R
F
Y
P
N
G
N
F
A
S
H
L
I
G
R
A
Q
K
N
P
D
----
T
G
----
E
---
L
K
G
A
L
G
V
E
K
I
F
D
S
Y
L
S
G
S
K
------------------------
K
R
G
D
D
V
H
L
T
I
D
S
N
I
Q
V
F
V
E
E
A
L
D
G
M
V
E
R
Y
Q
P
K
D
L
F
A
V
V
M
D
A
K
T
G
E
I
L
A
Y
S
Q
R
P
T
F
N
P
E
T
G
K
D
F
G
K
---
K
W
A
N
D
L
Y
Q
N
T
Y
E
P
G
S
T
F
K
S
Y
G
L
A
A
A
I
Q
E
G
A
F
D
P
D
K
K
Y
--
K
S
-
G
H
-
R
D
I
M
G
S
R
I
S
D
W
N
R
----
V
G
----
W
----
G
-
E
I
P
M
S
L
G
F
T
Y
S
S
N
T
L
M
M
H
L
Q
D
L
V
-
G
A
D
----
K
-
M
K
S
W
Y
E
R
F
G
F
G
K
S
T
K
G
M
F
D
G
E
A
P
G
Q
I
G
W
S
N
---
E
L
Q
Q
K
T
S
S
F
G
Q
S
T
T
V
T
P
V
Q
M
L
Q
A
Q
S
A
F
F
N
D
G
N
M
L
K
P
W
F
V
N
S
V
E
N
P
V
-
S
K
R
Q
F
Y
K
G
Q
K
Q
I
A
G
K
P
I
T
K
D
T
A
E
K
V
E
K
Q
L
D
L
V
V
N
S
K
-
K
S
------
H
--------
A
A-----
N
-------
Y
R
I
D
G
Y
E
V
E
G
K
T
G
T
A
Q
V
A
A
P
N
-
G
-
G
G
Y
V
K
G
P
N
P
Y
F
V
S
F
M
G
D
A
P
K
K
N
P
K
V
I
V
Y
----
A
G
M
S
L
A
Q
K
N
D
Q
E
A
----
Y
E
L
G
V
S
K
A
F
K
P
I
M
--
E
N
T
L
K
Y
L
N
V
G
------
K
----------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
67.91
44%
4
- C1 -
-
2ZC4
1
?
E:
[14-377]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
------LTG
G
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
-
E
K
N
-
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
67.67
32%
68
- C1 -
-
5TRO
-
?
A:
[26-555]
-----------------------------------------------------------------------
Q
Q
P
E
R
G
K
I
Y
D
R
N
G
K
V
L
A
E
D
V
E
R
Y
K
L
V
A
V
I
D
K
K
A
S
A
N
-
S
K
-
K
P
R
H
V
V
D
K
K
-----
E
T
A
K
K
L
S
T
V
I
N
M
K
P
E
E
I
E
K
R
L
S
Q
-
K
K
A
F
Q
I
E
F
G
R
K
G
T
N
L
T
Y
Q
D
K
L
K
I
E
----
K
M
N
L
P
G
I
S
L
L
P
E
T
E
R
F
Y
P
N
G
N
F
A
S
H
L
I
G
R
A
Q
K
N
P
D
----
T
G
----
E
---
L
K
G
A
L
G
V
E
K
I
F
D
S
Y
L
S
G
--------------------------
K
R
G
D
D
V
H
L
T
I
D
S
N
I
Q
V
F
V
E
E
A
L
D
G
M
V
E
R
Y
Q
P
K
D
L
F
A
V
V
M
D
A
K
T
G
E
I
L
A
Y
S
Q
R
P
T
F
N
P
E
T
G
K
D
F
G
K
K
---
W
A
N
D
L
Y
Q
N
T
Y
E
P
G
S
T
F
K
S
Y
G
L
A
A
A
I
Q
E
G
A
F
D
P
D
K
K
Y
--
K
S
-
G
H
-
R
D
I
M
G
S
R
I
S
D
W
N
R
----
V
G
----
W
----
G
-
E
I
P
M
S
L
G
F
T
Y
S
S
N
T
L
M
M
H
L
Q
D
L
V
-
G
-
A
D
K
M
K
S
-
W
Y
---
E
R
F
G
F
G
K
S
T
K
G
M
F
D
G
E
A
P
G
Q
I
G
W
S
N
---
E
L
Q
Q
K
T
S
S
F
G
Q
S
T
T
V
T
P
V
Q
M
L
Q
A
Q
S
A
F
F
N
D
G
N
M
L
K
P
W
F
V
N
S
V
E
N
P
V
S
K
R
-
Q
F
Y
K
G
Q
K
Q
I
A
G
K
P
I
T
K
D
T
A
E
K
V
E
K
Q
L
D
L
V
V
N
S
K
K
S
H
------
A
A
N
---------------------
Y
R
I
D
G
Y
E
V
E
G
K
T
G
T
A
Q
V
A
A
P
N
-
G
-
G
G
Y
V
K
G
P
N
P
Y
F
V
S
F
M
G
D
A
P
K
K
N
P
K
V
I
V
Y
A
G
M
S
L
A
Q
K
N
D
Q
E
----
A
----
Y
E
L
G
V
S
K
A
F
K
P
I
M
--
E
N
T
L
K
Y
L
N
V
G
------
K
S
---------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
67.62
44%
7
- C1 -
-
2Z2M
1
?
E:
[14-377]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
-----------GG--
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
-
E
K
N
-
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
67.05
44%
6
- C1 -
-
2ZC3
1
?
E:
[14-377]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
E
----
G
LTGG
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
-
E
K
N
-
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
66.65
44%
3
- C1 -
-
2ZC3
1
?
B:
[14-377]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
E
----
G
LTG
G
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
-
E
K
N
-
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
65.93
44%
3
- C1 -
-
2Z2L
-
?
B:
[14-377]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
E
----
G
LTG
G
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
-
E
K
N
-
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
65.87
44%
-8
- C1 -
-
2Z2M
1
?
B:
[14-377]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
E
----
G
LTG
G
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
------
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
------------------------------------------------------------------------------------------------------------------------------------------------
53
Fugue
65.81
28%
1
- C1 -
-
3OC2
-
?
A:
[35-545]
---------------------------------------------------------------
A
R
S
V
R
H
I
A
I
P
A
H
R
G
L
I
T
D
R
N
G
E
P
L
A
V
S
T
P
V
T
T
L
W
A
--------
N
-
P
K
-
E
-
L
M
T
A
K
E
R
W
P
Q
L
A
A
A
L
G
Q
----
D
T
K
L
F
A
D
R
I
E
Q
N
A
E
-
R
E
F
I
Y
L
V
R
G
---------
L
T
P
E
Q
G
E
G
V
I
A
L
K
V
P
G
V
Y
S
I
E
E
F
R
R
F
Y
P
A
G
E
V
V
A
H
A
V
G
F
T
D
V
D
D
R
----------------
G
R
E
G
I
E
L
A
F
D
E
W
L
A
G
V
P
G
K
R
Q
V
L
K
D
R
-
R
G
R
V
I
K
D
V
Q
V
T
K
N
A
K
P
G
K
T
L
A
L
S
I
D
L
R
L
Q
Y
L
A
H
R
E
L
R
N
A
L
L
E
N
G
A
K
A
G
S
L
V
I
M
D
V
K
T
G
E
I
L
A
M
T
N
Q
P
T
Y
N
P
N
N
R
R
N
L
--
Q
P
A
A
M
R
N
R
A
M
I
D
V
F
E
P
G
S
T
V
K
P
F
S
M
S
A
A
L
A
S
G
R
W
K
P
S
D
I
V
D
V
Y
P
-
G
T
-
L
Q
I
G
R
Y
T
I
R
D
V
S
R
-----
N
----
S
----
R
-
Q
L
D
L
T
G
I
L
I
K
S
S
N
V
G
I
S
K
I
A
F
D
I
G
A
-
E
----
S
-
I
Y
S
V
M
Q
Q
V
G
L
G
Q
D
T
G
L
G
F
P
G
E
R
V
G
N
L
P
N
H
R
KWP
K
A
E
T
A
T
L
A
Y
G
Y
G
L
S
V
T
A
I
Q
L
A
H
A
Y
A
A
L
A
N
D
G
K
S
-
V
P
L
S
M
T
R
V
D
R
V
P
D
G
V
-
Q
-----------
V
I
S
P
E
V
A
S
T
V
Q
G
M
L
Q
Q
V
V
E
A
Q
G
G
V
------
F
R
A
----------------------
Q
V
P
G
Y
H
A
A
G
K
S
G
T
A
R
---------------
K
A
Y
R
S
L
F
A
G
F
A
P
A
T
D
P
R
I
A
M
V
----
V
V
I
D
E
P
------
F
----
G
G
L
V
S
A
P
V
F
S
K
V
M
--
A
G
A
L
R
L
M
N
V
P
------
P
D
N
L
-------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
65.81
44%
5
- C1 -
-
2ZC4
1
?
B:
[14-377]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
T
M
D
G
K
D
V
Y
T
T
I
S
S
P
L
Q
S
F
M
E
T
Q
M
D
A
F
Q
E
K
V
K
G
K
Y
M
T
A
T
L
V
S
A
K
T
G
E
I
L
A
T
T
Q
R
P
T
F
D
A
D
T
K
E
G
I
T
-
E
D
F
V
W
R
D
I
L
Y
Q
S
N
Y
E
P
G
S
T
M
K
V
M
M
L
A
A
A
I
D
N
N
T
F
P
G
G
E
V
F
--
N
S
-
S
E
-
L
K
I
A
D
A
T
I
R
D
W
D
V
----
N
E
----
G
LTG
G
R
-
M
M
T
F
S
Q
G
F
A
H
S
S
N
V
G
M
T
L
L
E
Q
K
M
-
G
D
A
----
T
-
W
L
D
Y
L
N
R
F
K
F
G
V
P
T
R
F
G
L
T
D
E
Y
A
G
Q
L
P
A
D
N
---
I
V
N
I
A
Q
S
S
F
G
Q
G
I
S
V
T
Q
T
Q
M
I
R
A
F
T
A
I
A
N
D
G
V
M
L
E
P
K
F
I
S
A
I
Y
D
P
N
D
Q
T
-
A
-
R
K
S
Q
K
E
I
V
G
N
P
V
S
K
D
A
A
S
L
T
R
T
N
M
V
L
V
G
T
D
P
V
Y
G
------
T
M
Y
------
N
HSTGKP
T
-------
V
T
V
P
G
Q
N
V
A
L
K
S
G
T
A
Q
I
A
D
-
E
K
N
-
G
G
Y
L
V
G
L
T
D
Y
I
F
S
A
V
S
M
S
P
A
E
N
P
D
F
I
L
Y
----
V
T
V
Q
Q
P
E
H
----
Y
----
S
G
I
Q
L
G
E
F
A
N
P
I
L
--
E
R
A
S
A
M
K
D
S
------------------------------------------------------------------------------------------------------------------------------------------------