@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 : Lmo1769: (2016-03-28 )
MPNMEPTTKEIKEQKIYQEMGLTDSEYELVCSILGREPNYTETGLFSVMWSEHCSYKNSKPVLRKFPTEGKQVLQGPGEGAGIVDIGDGLGVAFKVESHNHPSYVEPYQGAATGVGGIIRDVFSMGARPIAMLNSLRFGELDTPHAKYLVSEVVAGIAGYGNSIGIPTVGGEIQFDPCYTKNPLVNAMCVGLIEAKDIQKGQAKGIGNPVMYVGAKTGRDGIHGATFASVEFSEEGEQQRSAVQVGDPFMEKLLLEACLDVIRDHSDILVGIQDMGAAGLVSSSSEMASKAGAGLELIMDDVPQRELHMTPYEMLLSESQERMLLCVKKGHVEEIQALFERYGLEAVVIGQVTDDKMYKIIHHGEVVANVPVDALAEDAPVYHKPSKEPTRYQAFQEEEAFVPAMDDVVGVWKELLAQPTIASKRHIYEQYDYQVRTDTAVVPGSDAAIVRVRGTEKAIAMTTDCNSRYLYLDPEVGGAIAVAEAARNIVCSGGKPLAITDGLNFGNPEKPEIFWEIEKAADGISAACLELDTPVISGNVSLYNETDGTGIYPTPVIGMVGLVEDLAHITTQDFKNSGDVIFLIGETKAEYSGSELQKLQQGKISGRAPELDLVTEKKYQQLLLTAIQEGLVASSHDLAEGGFGVALAEATFKAGLGAEVEVPFALNQLFSESQSRFLVSVKPENEAAFAQLMELEKVYRLGVVTEDDTIRVKHKEDQVTAKTTELRSIWEGAIPCLLK
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)
(Ligand)
(Uniprot)
MPNME
P
T
T
K
E
I
K
E
Q
K
I
Y
Q
E
MGLT
D
S
E
Y
E
L
V
C
S
I
LG-------REPNYT
E
T
G
L
F
S
V
M
W
S
EHCSYK--------NSK
P
--------
V
L
R
K----FP-----T------E
G
K
Q
V
LQGP--GEGA
G
I
V
D
IGDGL
G
V
A
F
-------------------
K
V
ESHNHPSYVEPYQGAAT
G
V
G
G
I
I
R
D
--
V
F
SMGA
R
P
I
A
M
L
-----
N
SLRFGELDT
P
H
------------
A
K
Y
L
V
S
E
V
V
A
G
I
AGYGNSIGIPTVGG
E
I
Q
F--DPCYTK--N---------P
L
V
N
A
M
C
V
G
L
I
E
A
K
DIQKGQAKGIGNP
V
M
Y
---
V
GAKTGRDGIHG
A
T
F
A
S
V
E
FSEE
G
E
--
Q
Q
R--SA---VQVG
D
P
F
M
--
E
K
L
---
L
L
E
A
C
L
D
V
I
RDHS
D
-
I
L
V
G
I
Q
DMGAAGLVS
S
S
S
E
M
A
S
KAGAG
L
E
L
I
M
DDVP--------------------QRE--------L---------------------------HM
T
----------------
P
Y
E
M
L
--
L
SE-------------SQ-
E
R
M
L
----------
L
C
VKKG
H
V
E
E
I
Q
A
L
F
E
RY-G
L
E
A
V
V
I
G
QVTD
D
K
M
Y
K
I
I
HH
G
E
V
V
A
NV
P
V
D
A
LA---EDAPVYHKPSKEP
T
R
Y
Q
A
F
Q
--EEEAFV
P
A
M
D
----
D
V
V
G
V
W
K
E
L
LAQPTIA
S
K
--
R
H
I
Y
E
QY
D
Y
Q
V
R----TD
T
A
V----VPG-S-
D
A
A
I
V
R
VR-GTE
K
A
I
A
M
TTDCNS
R
Y
L
Y
LDPEVGG
A
I
A
V
A
E
A
A
R
N
IVCSG-G
K
P
L
A
I
TDGLNF----GNPEK
P
E
I
F
W
E
I
E
K
AADGIS
A
A
C
LELDT
P
V
ISG
N
V
S
L
---
Y
NETDGTGIYPT
P
---
V
I
G
M
V
G
L
V
E
D
L
A
H
I
T
T
Q
D
FKNSG
D
V
I
F
L
IGE-T-KAEYS
G
S
E
L
Q
K
L
Q
QGKISGRAPE--
L
--
D
L
V
T
E
K
K
Y
Q
Q
L
L
L
T
A
I
Q
E
G
L
VASSHDLAEGGF
G
V
A
L
A
E
A
T
F
KAGLGA
E
V
E
V-
P
F
---------
A
L
N
Q
L
F
S
ESQ
S
R
F
L
V
S
VKPE
N
----
E
A
A
F
A
Q
L
M
E
L
-
E
-
K
V
Y
RLGVVTED
D
T
I
R
V
K
H--KEDQV
T
A
K
T
-
T
E
L
R
S
I
W
E
G
AIPCLLK
26
HHSearch
97.97
48%
-79
- C4 -
3VIU
4
PURL_THET8
A:
[2-724]
-------------
E
A
L
A
K
E
I
G
I
P
E
G
E
Y
R
E
I
V
Q
R
L
G
-------
R
E
P
N
R
V
E
L
L
L
F
K
V
M
W
S
E
H
C
A
Y
K
--------
N
S
R
P
--------
L
L
K
A
----
L
P
-----
K
------
E
G
E
A
V
L
Q
G
P
--
G
E
N
A
G
V
V
R
V
G
E
G
W
A
V
A
F
-------------------
K
I
E
S
H
N
H
P
S
A
V
E
P
F
Q
G
A
A
T
G
V
G
G
I
L
R
D
--
I
M
S
M
G
A
R
P
I
A
L
L
-----
D
S
L
R
F
G
P
P
E
E
A
R
------------
S
R
Y
L
L
K
G
V
V
S
G
I
A
F
Y
G
N
A
I
G
V
P
T
V
G
G
D
L
Y
F
--
H
E
G
Y
R
E
--
N
---------
P
L
V
N
A
M
C
L
G
L
L
R
E
E
H
L
K
R
S
R
A
-
S
L
G
R
P
I
Y
Y
---
A
G
A
K
T
G
R
D
G
I
-----------------------------
V
G
D
P
F
L
--
G
K
L
---
L
M
E
A
T
L
E
A
I
E
--
L
D
-
L
V
E
G
V
Q
D
M
G
A
A
G
L
T
S
S
L
S
E
L
A
H
K
S
G
L
G
V
E
L
H
L
D
L
V
P
--------------------
T
R
E
--------
E
---------------------------
G
M
T
----------------
P
E
E
L
L
--
L
S
E
-------------
S
Q
-
E
R
M
V
----------
L
V
P
K
E
G
K
E
K
A
L
E
E
V
F
G
R
W
-
G
L
D
C
V
P
V
A
R
T
I
P
E
R
V
F
R
V
L
F
R
G
E
V
V
A
E
V
P
T
E
A
L
A
----
E
A
P
T
Y
V
R
V
G
R
E
D
P
E
V
R
R
L
R
E
T
P
I
P
P
---
L
E
A
----
D
P
Q
E
V
L
R
R
L
L
A
S
P
N
L
A
S
R
--
E
A
V
Y
E
R
Y
D
H
Q
V
G
----
T
R
T
A
L
----
L
P
G
K
G
-
D
A
A
V
L
W
I
K
-
G
T
R
L
G
V
A
A
K
V
D
Q
N
P
R
Y
S
R
L
H
P
R
L
G
A
M
H
A
L
A
E
A
C
R
N
V
S
V
V
G
-
A
K
P
L
A
Y
T
D
G
L
N
L
----
G
S
P
E
T
P
E
G
Y
H
E
L
A
E
T
I
A
G
L
K
E
A
S
E
A
L
G
V
P
V
V
S
G
N
V
S
L
---
Y
N
E
S
G
G
K
R
I
P
P
T
A
---
M
V
G
V
V
G
V
L
E
-
V
D
K
R
A
E
M
G
F
R
R
P
G
E
V
L
L
L
I
G
E
-
E
-
R
G
E
L
G
A
S
E
V
L
Y
L
L
T
G
K
E
F
G
H
P
P
R
--
L
--
D
L
G
R
E
K
A
V
Q
E
A
I
R
D
L
I
Q
R
G
L
T
R
T
A
H
D
V
A
E
G
G
L
L
L
A
L
A
E
M
T
F
P
Y
G
V
G
A
T
V
E
V
-
R
E
E--------
G
L
E
A
L
F
G
E
A
P
S
R
V
L
F
T
V
E
K
T
R
----
L
Q
E
A
T
L
L
L
E
E
R
G
L
P
Y
R
V
L
G
E
T
G
G
K
S
-
L
T
V
L
T
--
P
G
G
V
L
E
W
S
L
-
E
E
L
L
S
A
W
K
A
P
L
R
E
V
L
D
1
PsiBlast_PDB
94.73
49%
-76
- C4 -
3VIU
4
PURL_THET8
A:
[2-666]
-------------
E
A
L
A
K
E
I
G
I
P
E
G
E
Y
R
E
I
V
Q
R
L
G
-------
R
E
P
N
R
V
E
L
L
L
F
K
V
M
W
S
E
H
C
A
Y
K
--------
N
S
R
P
--------
L
L
K
A
----
L
P
-----
K
------
E
G
E
A
V
L
Q
G
P
--
G
E
N
A
G
V
V
R
V
G
E
G
W
A
V
A
F
-------------------
K
I
E
S
H
N
H
P
S
A
V
E
P
F
Q
G
A
A
T
G
V
G
G
I
L
R
D
--
I
M
S
M
G
A
R
P
I
A
L
L
-----
D
S
L
R
F
G
P
P
E
E
A
R
------------
S
R
Y
L
L
K
G
V
V
S
G
I
A
F
Y
G
N
A
I
G
V
P
T
V
G
G
D
L
Y
F
--
H
E
G
Y
R
E
--
N
---------
P
L
V
N
A
M
C
L
G
L
L
R
E
E
H
L
K
R
S
R
A
S
-
L
G
R
P
I
Y
Y
---
A
G
A
K
T
G
R
D
G
I
-----------------------------
V
G
D
P
F
L
--
G
K
L
---
L
M
E
A
T
L
E
A
I
--
E
L
D
-
L
V
E
G
V
Q
D
M
G
A
A
G
L
T
S
S
L
S
E
L
A
H
K
S
G
L
G
V
E
L
H
L
D
L
V
P
--------------------
T
R
E
--------
E
---------------------------
G
M
T
----------------
P
E
E
L
L
--
L
S
E
-------------
S
Q
-
E
R
M
V
----------
L
V
P
K
E
G
K
E
K
A
L
E
E
V
F
G
R
W
-
G
L
D
C
V
P
V
A
R
T
I
P
E
R
V
F
R
V
L
F
R
G
E
V
V
A
E
V
P
T
E
A
L
A
---
E
-
A
P
T
Y
V
R
V
G
R
E
D
P
E
V
R
R
L
R
---
E
T
P
I
P
P
L
E
A
----
D
P
Q
E
V
L
R
R
L
L
A
S
P
N
L
A
S
R
--
E
A
V
Y
E
R
Y
D
H
Q
V
G
----
T
R
T
A
L
----
L
P
G
-
K
G
D
A
A
V
L
W
I
K
-
G
T
R
L
G
V
A
A
K
V
D
Q
N
P
R
Y
S
R
L
H
P
R
L
G
A
M
H
A
L
A
E
A
C
R
N
V
S
V
V
G
-
A
K
P
L
A
Y
T
D
G
L
N
L
----
G
S
P
E
T
P
E
G
Y
H
E
L
A
E
T
I
A
G
L
K
E
A
S
E
A
L
G
V
P
V
V
S
G
N
V
S
L
---
Y
N
E
S
G
G
K
R
I
P
P
T
A
---
M
V
G
V
V
G
V
L
E
-
V
D
K
R
A
E
M
G
F
R
R
P
G
E
V
L
L
L
I
G
E
-
E
-
R
G
E
L
G
A
S
E
V
L
Y
L
L
T
G
K
E
F
G
H
P
P
R
--
L
--
D
L
G
R
E
K
A
V
Q
E
A
I
R
D
L
I
Q
R
G
L
T
R
T
A
H
D
V
A
E
G
G
L
L
L
A
L
A
E
M
T
F
P
Y
G
V
G
A
T
V
E
V
R
E
E
---------
G
L
E
A
L
F
G
E
A
P
S
R
V
L
F
T
V
E
------------------------------------------------------------------
9
PsiBlast_PDB
78.90
24%
-43
- C4 -
3UGJ
8
PUR4_SALTY
A:
[205-993]
---------------------------------
L
G
-------
R
N
P
N
D
I
E
L
Y
M
F
A
Q
A
N
S
E
H
C
R
H
K
IFN
A
D
W
I
I
D
G
K
P
QPKS
L
F
K
M
I
K
N
T
----
F
E
-----
T
------
T
P
D
Y
V
L
S
A
Y
--
K
D
N
A
A
V
M
E
-
G
S
A
V
G
R
Y
F
A
D
HNTG
R
Y
D
F
H
QEPA
H
I
L
M
K
V
E
T
H
N
H
P
T
A
I
S
P
W
P
G
A
A
T
G
S
G
G
E
I
R
D
E
G
A
T
G
R
G
A
K
P
K
A
G
L
V
G
F
S
V
S
N
L
R
I
P
G
F
E
Q
P
W
EEDFGKPERIVT
A
L
D
I
M
T
E
G
P
L
G
G
A
A
F
N
N
E
F
G
R
P
A
L
T
G
Y
F
R
T
Y
E
E
K
V
N
S
H
--
N
G
E
E
L
R
G
Y
HK
P
I
M
L
A
G
G
I
G
N
I
R
A
D
H
V
Q
K
G
E
I
V
-
V
G
A
K
L
I
V
---
L
G
G
P
A
M
N
I
G
L
------------------
D
F
--
A
S
---
V
Q
R
D
N
P
E
M
--
E
R
R
C
Q
E
V
I
D
R
C
W
Q
-
L
G
D
A
N
P
-
I
L
F
-
I
H
D
V
G
A
G
G
L
S
N
A
M
P
E
L
V
S
D
G
G
R
G
G
K
F
E
L
R
D
I
L
--------------------
S
D
E
--------
P
---------------------------
G
M
S
----------------
P
L
E
I
W
--
C
N
E
-------------
S
Q
-
E
R
Y
V
----------
L
A
V
A
A
D
Q
L
P
L
F
D
E
L
C
K
R
E
-
R
A
P
Y
A
V
I
G
D
A
T
E
E
Q
H
L
S
L
--
H
D
N
H
F
D
N
Q
P
I
--------
D
L
P
L
D
V
L
L
G
K
T
P
K
M
T
R
D
V
Q
--
T
L
K
A
K
G
D
A
L
N
RADI
T
I
A
D
A
V
K
R
V
L
H
L
P
T
V
A
E
K
--
T
F
L
V
T
I
G
D
R
T
V
T
GMVA
R
D
Q
M
V
GPWQ
V
P
V
-
A
-
D
C
A
V
T
T
A
S
L
D
S
Y
Y
G
E
A
M
S
I
G
E
R
A
P
V
A
L
L
D
F
A
A
S
A
R
L
A
V
G
E
A
L
T
N
I
A
A
T
Q
I
G
D
I
K
R
I
K
L
S
A
N
W
M
A
AA
G
H
P
G
E
D
A
G
L
Y
D
A
V
K
A
V
G
E
E
L
C
P
Q
L
G
L
T
I
P
V
G
K
D
S
M
S
M
K
T
R
W
Q
E
G
--
Q
R
E
M
T
S
P
L
S
L
V
I
S
A
F
A
R
V
E
D
V
R
H
T
L
T
P
Q
L
S
T
E
D
N
A
L
L
L
I
D
L
-
G
-
K
G
H
N
A
L
G
A
T
A
L
A
Q
V
Y
R
Q
L
G
D
K
P
A
D
V
R
--
D
V
A
Q
L
K
G
F
Y
D
A
M
Q
A
L
V
A
A
R
K
L
L
A
W
H
D
R
S
D
G
G
L
L
V
T
L
A
E
M
A
F
A
G
H
C
G
V
Q
V
D
I
-
A
A
LGDD-----
H
L
A
A
L
F
N
E
E
L
G
G
-
V
I
Q
V
R
A
E
D
R
D
A
V
E
A
L
L
A
Q
Y
G
L
A
-
D
-
C
V
H
Y
L
G
Q
A
L
A
G
D
R
F
V
I
T
A
--
N
D
Q
T
V
F
S
E
S
R
T
T
L
R
V
W
W
---------
10
PsiBlast_PDB
78.71
24%
-42
- C4 -
1T3T
5
PUR4_SALTY
A:
[205-991]
---------------------------------
L
G
-------
R
N
P
N
D
I
E
L
Y
M
F
A
Q
A
N
S
E
H
C
R
H
K
IFN
A
D
W
I
I
D
G
K
P
QPKS
L
F
K
M
I
K
N
T
----
F
E
-----
T
------
T
P
D
Y
V
L
S
A
Y
--
K
D
N
A
A
V
M
E
-
G
S
A
V
G
R
Y
F
A
D
HNTG
R
Y
D
F
H
Q
E
PA
H
I
L
M
K
V
E
T
H
N
H
P
T
A
I
S
P
W
P
G
A
A
T
G
S
G
G
E
I
R
D
E
G
A
T
G
R
G
A
K
P
K
A
G
L
V
G
F
S
V
S
N
L
R
I
P
G
F
E
Q
P
W
EEDFGKPERIVT
A
L
D
I
M
T
E
G
P
L
G
G
A
A
F
N
N
E
F
G
R
P
A
L
T
G
Y
F
R
T
Y
E
E
K
V
N
S
H
--
N
G
E
E
L
R
G
Y
HK
P
I
M
L
A
G
G
I
G
N
I
R
A
D
H
V
Q
K
G
E
I
V
-
V
G
A
K
L
I
V
---
L
G
G
P
A
M
N
I
G
--------------------
F
--
A
S
---
V
Q
R
D
N
P
E
M
--
E
R
R
C
Q
E
V
I
D
R
C
W
Q
-
L
G
D
A
N
P
-
I
L
F
-
I
H
D
V
G
A
G
G
L
S
N
A
M
P
E
L
V
S
D
G
G
R
G
G
K
F
E
L
R
D
I
L
--------------------
S
D
E
--------
P
---------------------------
G
M
S
----------------
P
L
E
I
W
--
C
N
E
-------------
S
Q
-
E
R
Y
V
----------
L
A
V
A
A
D
Q
L
P
L
F
D
E
L
C
K
R
E
-
R
A
P
Y
A
V
I
G
D
A
T
E
E
Q
H
L
S
L
--
H
D
N
H
F
D
N
Q
P
I
--------
D
L
P
L
D
V
L
L
G
K
T
P
K
M
T
R
D
V
Q
--
T
L
K
A
K
G
D
A
L
N
RADI
T
I
A
D
A
V
K
R
V
L
H
L
P
T
V
A
E
K
--
T
F
L
V
T
I
G
D
R
T
V
T
GMVA
R
D
Q
M
V
GPWQ
V
P
V
-
A
-
D
C
A
V
T
T
A
S
L
D
S
Y
Y
G
E
A
M
S
I
G
E
R
A
P
V
A
L
L
D
F
A
A
S
A
R
L
A
V
G
E
A
L
T
N
I
A
A
T
Q
I
G
D
I
K
R
I
K
L
S
A
N
W
M
A
AA
G
H
P
G
E
D
A
G
L
Y
D
A
V
K
A
V
G
E
E
L
C
P
Q
L
G
L
T
I
P
V
G
K
D
S
M
S
M
K
T
R
W
Q
E
G
N
E
Q
R
E
M
T
S
P
L
S
L
V
I
S
A
F
A
R
V
E
D
V
R
H
T
L
T
P
Q
L
S
T
E
D
N
A
L
L
L
I
D
L
-
G
-
K
G
H
N
A
L
G
A
T
A
L
A
Q
V
Y
R
Q
L
G
D
K
P
A
D
V
R
--
D
V
A
Q
L
K
G
F
Y
D
A
M
Q
A
L
V
A
A
R
K
L
L
A
W
H
D
R
S
D
G
G
L
L
V
T
L
A
E
M
A
F
A
G
H
C
G
V
Q
V
D
I
-
A
A
LGDD-----
H
L
A
A
L
F
N
E
E
L
G
G
-
V
I
Q
V
R
A
E
D
R
D
A
V
E
A
L
L
A
Q
Y
G
L
A
-
D
-
C
V
H
Y
L
G
Q
A
L
A
G
D
R
F
V
I
T
A
--
N
D
Q
T
V
F
S
E
S
R
T
T
L
R
V
W
W
---------
13
PsiBlast_PDB
78.31
24%
-41
- C4 -
4MGH
16
PUR4_SALTY
A:
[205-991]
---------------------------------
L
G
-------
R
N
P
N
D
I
E
L
Y
M
F
A
Q
A
N
S
E
H
C
R
H
K
IFN
A
D
W
I
I
D
G
K
P
QPKS
L
F
K
M
I
K
N
T
----
F
E
-----
T
------
T
P
D
Y
V
L
S
A
Y
--
K
D
N
A
A
V
M
E
-
G
S
A
V
G
R
Y
F
A
D
HNTG
R
Y
D
F
H
QEPA
H
I
L
M
K
V
E
T
H
N
H
P
T
A
I
S
P
W
P
G
A
A
T
G
S
G
G
E
I
R
D
E
G
A
T
G
R
G
A
K
P
K
A
G
L
V
G
F
S
V
S
N
L
R
I
P
G
F
E
Q
P
W
EEDFGKPERIVT
A
L
D
I
M
T
E
G
P
L
G
G
A
A
F
N
N
E
F
G
R
P
A
L
T
G
Y
F
R
T
Y
E
E
K
V
N
S
H
--
N
G
E
E
L
R
G
YHK
P
I
M
L
A
G
G
I
G
N
I
R
A
D
H
V
Q
K
G
E
I
V
-
V
G
A
K
L
I
V
---
L
G
G
P
A
M
N
I
G
--------------------
F
--
A
S
---
V
Q
R
D
N
P
E
M
--
E
R
R
C
Q
E
V
I
D
R
C
W
Q
-
L
G
D
A
N
P
-
I
L
F
-
I
H
D
V
G
A
G
G
L
S
N
A
M
P
E
L
V
S
D
G
G
R
G
G
K
F
E
L
R
D
I
L
--------------------
S
D
E
--------
P
---------------------------
G
M
S
----------------
P
L
E
I
W
--
C
N
E
-------------
S
Q
-
E
R
Y
V
----------
L
A
V
A
A
D
Q
L
P
L
F
D
E
L
C
K
R
E
-
R
A
P
Y
A
V
I
G
D
A
T
E
E
Q
H
L
S
L
--
H
D
N
H
F
D
N
Q
P
I
--------
D
L
P
L
D
V
L
L
G
K
T
P
K
M
T
R
D
V
Q
--
T
L
K
A
K
G
D
A
L
N
RADI
T
I
A
D
A
V
K
R
V
L
H
L
P
T
V
A
E
K
--
T
F
L
V
T
I
G
D
R
T
V
T
GMVA
R
D
Q
M
V
GPWQ
V
P
V
-
A
-
D
C
A
V
T
T
A
S
L
D
S
Y
Y
G
E
A
M
S
I
G
E
R
A
P
V
A
L
L
D
F
A
A
S
A
R
L
A
V
G
E
A
L
T
N
I
A
A
T
Q
I
G
D
I
K
R
I
K
L
S
A
N
W
M
AAA
G
H
P
G
E
D
A
G
L
Y
D
A
V
K
A
V
G
E
E
L
C
P
Q
L
G
L
T
I
P
V
G
K
D
S
M
S
M
K
T
R
W
Q
E
G
N
E
Q
R
E
M
T
S
P
L
S
L
V
I
S
A
F
A
R
V
E
D
V
R
H
T
L
T
P
Q
L
S
T
E
D
N
A
L
L
L
I
D
L
-
G
-
K
G
H
N
A
L
G
A
T
A
L
A
Q
V
Y
R
Q
L
G
D
K
P
A
D
V
R
--
D
V
A
Q
L
K
G
F
Y
D
A
M
Q
A
L
V
A
A
R
K
L
L
A
W
H
D
R
S
D
G
G
L
L
V
T
L
A
E
M
A
F
A
G
H
C
G
V
Q
V
D
I
-
A
A
LGDD-----
H
L
A
A
L
F
N
E
E
L
G
G
-
V
I
Q
V
R
A
E
D
R
D
A
V
E
A
L
L
A
Q
Y
G
L
A
-
D
-
C
V
H
Y
L
G
Q
A
L
A
G
D
R
F
V
I
T
A
--
N
D
Q
T
V
F
S
E
S
R
T
T
L
R
V
W
W
---------
14
PsiBlast_PDB
77.95
24%
-42
- C4 -
4LGY
17
PUR4_SALTY
A:
[207-993]
---------------------------------
L
G
-------
R
N
P
N
D
I
E
L
Y
M
W
A
Q
A
N
S
E
H
C
R
H
K
IFN
A
D
W
I
I
D
G
K
P
QPKS
L
F
K
M
I
K
N
T
----
F
E
-----
T
------
T
P
D
Y
V
L
S
A
Y
--
K
D
N
A
A
V
M
E
-
G
S
A
V
G
R
Y
F
A
D
HNTG
R
Y
D
F
H
Q
E
PA
H
I
L
M
K
V
E
T
H
N
H
P
T
A
I
S
P
W
P
G
A
A
T
G
S
G
G
E
I
R
D
E
G
A
T
G
R
G
A
K
P
K
A
G
L
V
G
F
S
V
S
N
L
R
I
P
G
F
E
Q
P
W
EEDFGKPERIVT
A
L
D
I
M
T
E
G
P
L
G
G
A
A
F
N
N
E
F
G
R
P
A
L
T
G
Y
F
R
T
Y
E
E
K
V
N
S
H
--
N
G
E
E
L
R
G
Y
HK
P
I
M
L
A
G
G
I
G
N
I
R
A
D
H
V
Q
K
G
E
I
V
-
V
G
A
K
L
I
V
---
L
G
G
P
A
M
N
I
G
L
------------------
D
F
--
A
S
---
V
Q
R
D
N
P
E
M
--
E
R
R
C
Q
E
V
I
D
R
C
W
Q
-
L
G
D
A
N
P
-
I
L
F
-
I
H
D
V
G
A
G
G
L
S
N
A
M
P
E
L
V
S
D
G
G
R
G
G
K
F
E
L
R
D
I
L
--------------------
S
D
E
--------
P
---------------------------
G
M
S
----------------
P
L
E
I
W
--
C
N
E
-------------
S
Q
-
E
R
Y
V
----------
L
A
V
A
A
D
Q
L
P
L
F
D
E
L
C
K
R
E
-
R
A
P
Y
A
V
I
G
D
A
T
E
E
Q
H
L
S
L
--
H
D
N
H
F
D
N
Q
P
I
--------
D
L
P
L
D
V
L
L
G
K
T
P
K
M
T
R
D
V
Q
--
T
L
K
A
K
G
D
A
L
N
RADI
T
I
A
D
A
V
K
R
V
L
H
L
P
T
V
A
E
K
--
T
F
L
V
T
I
G
D
R
T
V
T
GMVA
R
D
Q
M
V
GPWQ
V
P
V
-
A
-
D
C
A
V
T
T
A
S
L
D
S
Y
Y
G
E
A
M
S
I
G
E
R
A
P
V
A
L
L
D
F
A
A
S
A
R
L
A
V
G
E
A
L
T
N
I
A
A
T
Q
I
G
D
I
K
R
I
K
L
S
A
N
W
M
A
AA
G
H
P
G
E
D
A
G
L
Y
D
A
V
K
A
V
G
E
E
L
C
P
Q
L
G
L
T
I
P
V
G
K
D
S
M
S
M
K
T
R
W
Q
E
G
N
E
Q
R
E
M
T
S
P
L
S
L
V
I
S
A
F
A
R
V
E
D
V
R
H
T
L
T
P
Q
L
S
T
E
D
N
A
L
L
L
I
D
L
-
G
-
K
G
H
N
A
L
G
A
T
A
L
A
Q
V
Y
R
Q
L
G
D
K
P
A
D
V
R
--
D
V
A
Q
L
K
G
F
Y
D
A
M
Q
A
L
V
A
A
R
K
L
L
A
W
H
D
R
S
D
G
G
L
L
V
T
L
A
E
M
A
F
A
G
H
C
G
V
Q
V
D
I
-
A
A
LGDD-----
H
L
A
A
L
F
N
E
E
L
G
G
-
V
I
Q
V
R
A
E
D
R
D
A
V
E
A
L
L
A
Q
Y
G
L
A
-
D
-
C
V
H
Y
L
G
Q
A
L
A
G
D
R
F
V
I
T
A
--
N
D
Q
T
V
F
S
E
S
R
T
T
L
R
V
W
W
---------
12
PsiBlast_PDB
77.32
24%
-41
- C4 -
3UMM
6
PUR4_SALTY
A:
[205-991]
---------------------------------
L
G
-------
R
N
P
N
D
I
E
L
Y
M
F
A
Q
A
N
S
E
H
C
R
H
K
IFN
A
D
W
I
I
D
G
K
P
QPKS
L
F
K
M
I
K
N
T
----
F
E
-----
T
------
T
P
D
Y
V
L
S
A
Y
--
K
D
N
A
A
V
M
E
-
G
S
A
V
G
R
Y
F
A
D
HNTG
R
Y
D
F
H
Q
E
P
A
H
I
L
M
K
V
E
T
H
N
H
P
T
A
I
S
P
W
P
G
A
A
T
G
S
G
G
E
I
R
D
E
G
A
T
G
R
G
A
K
P
K
A
G
L
V
G
F
S
V
S
N
L
R
I
P
G
F
E
Q
P
W
EEDFGKPERIVT
A
L
D
I
M
T
E
G
P
L
G
G
A
A
F
N
N
E
F
G
R
P
A
L
T
G
Y
F
R
T
Y
E
E
K
V
N
S
H
--
N
G
E
E
L
R
G
Y
HK
P
I
M
L
A
G
G
I
G
N
I
R
A
D
H
V
Q
K
G
E
I
V
-
V
G
A
K
L
I
V
---
L
G
G
P
A
M
N
I
G
-------------------
D
F
--
A
S
---
V
Q
R
D
N
P
E
M
--
E
R
R
C
Q
E
V
I
D
R
C
W
Q
-
L
G
D
A
N
P
-
I
L
F
-
I
H
D
V
G
A
G
G
L
S
N
A
M
P
E
L
V
S
D
G
G
R
G
G
K
F
E
L
R
D
I
L
--------------------
S
D
E
--------
P
---------------------------
G
M
S
----------------
P
L
E
I
W
--
C
N
E
-------------
S
Q
-
E
R
Y
V
----------
L
A
V
A
A
D
Q
L
P
L
F
D
E
L
C
K
R
E
-
R
A
P
Y
A
V
I
G
D
A
T
E
E
Q
H
L
S
L
--
H
D
N
H
F
D
N
Q
P
I
--------
D
L
P
L
D
V
L
L
G
K
T
P
K
M
T
R
D
V
Q
--
T
L
K
A
K
G
D
A
L
N
RADI
T
I
A
D
A
V
K
R
V
L
H
L
P
T
V
A
E
K
--
T
F
L
V
T
I
G
D
R
T
V
T
GMVA
R
D
Q
M
V
GPWQ
V
P
V
-
A
-
D
C
A
V
T
T
A
S
L
D
S
Y
Y
G
E
A
M
S
I
G
E
R
A
P
V
A
L
L
D
F
A
A
S
A
R
L
A
V
G
E
A
L
T
N
I
A
A
T
Q
I
G
D
I
K
R
I
K
L
S
A
N
W
M
A
AA
G
H
P
G
E
D
A
G
L
Y
D
A
V
K
A
V
G
E
E
L
C
P
Q
L
G
L
T
I
P
V
G
K
D
S
M
S
M
K
T
R
W
Q
E
G
N
E
Q
R
E
M
T
S
P
L
S
L
V
I
S
A
F
A
R
V
E
D
V
R
H
T
L
T
P
Q
L
S
T
E
D
N
A
L
L
L
I
D
L
-
G
-
K
G
H
N
A
L
G
A
T
A
L
A
Q
V
Y
R
Q
L
G
D
K
P
A
D
V
R
--
D
V
A
Q
L
K
G
F
Y
D
A
M
Q
A
L
V
A
A
R
K
L
L
A
W
H
D
R
S
D
G
G
L
L
V
T
L
A
E
M
A
F
A
G
H
C
G
V
Q
V
D
I
-
A
A
LGDD-----
H
L
A
A
L
F
N
E
E
L
G
G
-
V
I
Q
V
R
A
E
D
R
D
A
V
E
A
L
L
A
Q
Y
G
L
A
-
D
-
C
V
H
Y
L
G
Q
A
L
A
G
D
R
F
V
I
T
A
--
N
D
Q
T
V
F
S
E
S
R
T
T
L
R
V
W
W
---------
7
PsiBlast_PDB
77.28
24%
-43
- C4 -
4L78
17
PUR4_SALTY
A:
[205-991]
---------------------------------
L
G
-------
R
N
P
N
D
I
E
L
Y
M
F
A
Q
A
N
S
E
H
C
R
H
K
IFN
A
D
W
I
I
D
G
K
P
QPKS
L
F
K
M
I
K
N
T
----
F
E
-----
T
------
T
P
D
Y
V
L
S
A
Y
--
K
D
N
A
A
V
M
E
-
G
S
A
V
G
R
Y
F
A
D
HNTG
R
Y
D
F
H
Q
E
PA
H
I
L
M
K
V
E
T
H
N
H
P
T
A
I
S
P
W
P
G
A
A
T
G
S
G
G
E
I
R
D
E
G
A
T
G
R
G
A
K
P
K
A
G
L
V
G
F
S
V
S
N
L
R
I
P
G
F
E
Q
P
W
EEDFGKPERIVT
A
L
D
I
M
T
E
G
P
L
G
G
A
A
F
N
N
E
F
G
R
P
A
L
T
G
Y
F
R
T
Y
E
E
K
V
N
S
H
--
N
G
E
E
L
R
G
Y
HK
P
I
M
L
A
G
G
I
G
N
I
R
A
D
H
V
Q
K
G
E
I
V
-
V
G
A
K
L
I
V
---
L
G
G
P
A
M
N
I
G
-------------------
D
F
--
A
S
---
V
Q
R
D
N
P
E
M
--
E
R
R
C
Q
E
V
I
D
R
C
W
Q
-
L
G
D
A
N
P
-
I
L
F
-
I
H
D
V
G
A
G
G
L
S
N
A
M
P
E
L
V
S
D
G
G
R
G
G
K
F
E
L
R
D
I
L
--------------------
S
D
E
--------
P
---------------------------
G
M
S
----------------
P
L
E
I
W
--
C
N
E
-------------
S
Q
-
E
R
Y
V
----------
L
A
V
A
A
D
Q
L
P
L
F
D
E
L
C
K
R
E
-
R
A
P
Y
A
V
I
G
D
A
T
E
E
Q
H
L
S
L
--
H
D
N
H
F
D
N
Q
P
I
--------
D
L
P
L
D
V
L
L
G
K
T
P
K
M
T
R
D
V
Q
--
T
L
K
A
K
G
D
A
L
N
RADI
T
I
A
D
A
V
K
R
V
L
H
L
P
T
V
A
E
K
--
T
F
L
V
T
I
G
D
R
T
V
T
GMVA
R
D
Q
M
V
GPWQ
V
P
V
-
A
-
D
C
A
V
T
T
A
S
L
D
S
Y
Y
G
E
A
M
S
I
G
E
R
A
P
V
A
L
L
D
F
A
A
S
A
R
L
A
V
G
E
A
L
T
N
I
A
A
T
Q
I
G
D
I
K
R
I
K
L
S
A
N
W
M
A
AA
G
H
P
G
E
D
A
G
L
Y
D
A
V
K
A
V
G
E
E
L
C
P
Q
L
G
L
T
I
P
V
G
K
D
S
M
S
M
K
T
R
W
Q
E
G
N
E
Q
R
E
M
T
S
P
L
S
L
V
I
S
A
F
A
R
V
E
D
V
R
H
T
L
T
P
Q
L
S
T
E
D
N
A
L
L
L
I
D
L
-
G
-
K
G
H
N
A
L
G
A
T
A
L
A
Q
V
Y
R
Q
L
G
D
K
P
A
D
V
R
--
D
V
A
Q
L
K
G
F
Y
D
A
M
Q
A
L
V
A
A
R
K
L
L
A
W
H
D
R
S
D
G
G
L
L
V
T
L
A
E
M
A
F
A
G
H
C
G
V
Q
V
D
I
-
A
A
LGDD-----
H
L
A
A
L
F
N
E
E
L
G
G
-
V
I
Q
V
R
A
E
D
R
D
A
V
E
A
L
L
A
Q
Y
G
L
A
-
D
-
C
V
H
Y
L
G
Q
A
L
A
G
D
R
F
V
I
T
A
--
N
D
Q
T
V
F
S
E
S
R
T
T
L
R
V
W
W
---------
3
PsiBlast_PDB
77.14
38%
-71
- C4 -
2HS3
2
PURL_THEMA
A:
[13-502]
---------------------------------
L
G
-------
R
E
P
T
F
V
E
L
Q
A
F
S
V
M
W
S
E
H
C
G
Y
S
--------
H
T
K
K
--------
Y
I
R
R
----
L
P
-----
K
------
T
G
---
F
E
G
-----
N
A
G
V
V
N
L
D
D
Y
Y
S
V
A
F
-------------------
K
I
E
S
H
N
H
P
S
A
I
E
P
Y
N
G
A
A
T
G
V
G
G
I
I
R
D
--
V
L
A
M
G
A
R
P
T
A
I
F
-----
D
S
L
--------
H
------------
M
S
R
I
I
D
G
I
I
E
G
I
A
D
Y
G
N
S
I
G
V
P
T
V
G
G
E
L
R
I
--
S
S
L
Y
A
H
--
N
---------
P
L
V
N
V
L
A
A
G
V
V
R
N
D
M
L
V
D
S
K
A
S
R
P
G
Q
V
I
V
I
---
F
G
G
A
T
G
R
D
G
I
H
G
A
S
F
A
S
E
D
L
T
G
D
-
K
--
A
T
K
--
L
S
---
I
Q
V
G
D
P
F
A
--
E
K
M
---
L
I
E
A
F
L
E
M
V
E
E
--
G
-
L
V
E
G
A
Q
D
L
G
A
G
G
V
L
S
A
T
S
E
L
V
A
K
G
N
L
G
A
I
V
H
L
D
R
V
P
--------------------
L
R
E
--------
P
---------------------------
D
M
E
----------------
P
W
E
I
L
--
I
S
E
-------------
S
Q
-
E
R
M
A
----------
V
V
T
S
P
Q
K
A
S
R
I
L
E
I
A
R
K
H
-
L
L
F
G
D
V
V
A
E
V
I
E
E
P
V
Y
R
V
M
Y
R
N
D
L
V
M
E
V
P
V
Q
L
L
A
N
A
P
E
E
D
I
V
E
Y
T
P
G
K
I
P
-
E
F
K
R
V
E
--
F
E
E
--------------------------
V
N
A
--
R
E
V
F
E
Q
Y
D
H
M
V
G
----
T
D
T
V
V
----
P
P
G
-
F
-
G
A
A
V
M
R
I
K
--
R
D
G
G
Y
S
L
V
T
H
S
R
A
D
L
A
L
Q
D
T
Y
W
G
T
L
I
A
V
L
E
S
V
R
K
T
L
S
V
G
-
A
E
P
L
A
I
T
N
C
V
N
Y
----
G
D
P
D
V
D
P
V
--
G
L
S
A
M
M
T
A
L
K
N
A
C
E
F
S
G
V
P
V
A
S
G
N
A
S
L
---
Y
N
T
Y
Q
G
K
P
I
P
P
T
L
---
V
V
G
M
L
G
K
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
76.84
24%
-42
- C4 -
3UJN
5
PUR4_SALTY
A:
[205-991]
---------------------------------
L
G
-------
R
N
P
N
D
I
E
L
Y
M
F
A
Q
A
N
S
E
H
C
R
H
K
IFN
A
D
W
I
I
D
G
K
P
QPKS
L
F
K
M
I
K
N
T
----
F
E
-----
T
------
T
P
D
Y
V
L
S
A
Y
--
K
D
N
A
A
V
M
E
-
G
S
A
V
G
R
Y
F
A
D
HNTG
R
Y
D
F
H
Q
E
P
A
H
I
L
M
K
V
E
T
H
N
H
P
T
A
I
S
P
W
P
G
A
A
T
G
S
G
G
E
I
R
D
E
G
A
T
G
R
G
A
K
P
K
A
G
L
V
G
F
S
V
S
N
L
R
I
P
G
F
E
Q
P
W
EEDFGKPERIVT
A
L
D
I
M
T
E
G
P
L
G
G
A
A
F
N
N
E
F
G
R
P
A
L
T
G
Y
F
R
T
Y
E
E
K
V
N
S
H
--
N
G
E
E
L
R
G
Y
HK
P
I
M
L
A
G
G
I
G
N
I
R
A
D
H
V
Q
K
G
E
I
V
-
V
G
A
K
L
I
V
---
L
G
G
P
A
M
N
I
G
L
------------------
D
F
--
A
S
---
V
Q
R
D
N
P
E
M
--
E
R
R
C
Q
E
V
I
D
R
C
W
Q
-
L
G
D
A
N
P
-
I
L
F
-
I
H
D
V
G
A
G
G
L
S
N
A
M
P
E
L
V
S
D
G
G
R
G
G
K
F
E
L
R
D
I
L
--------------------
S
D
E
--------
P
---------------------------
G
M
S
----------------
P
L
E
I
W
--
C
N
E
-------------
S
Q
-
E
R
Y
V
----------
L
A
V
A
A
D
Q
L
P
L
F
D
E
L
C
K
R
E
-
R
A
P
Y
A
V
I
G
D
A
T
E
E
Q
H
L
S
L
--
H
D
N
H
F
D
N
Q
P
I
--------
D
L
P
L
D
V
L
L
G
K
T
P
K
M
T
R
D
V
Q
--
T
L
K
A
K
G
D
A
L
N
RADI
T
I
A
D
A
V
K
R
V
L
H
L
P
T
V
A
E
K
--
T
F
L
V
T
I
G
D
R
T
V
T
GMVA
R
D
Q
M
V
GPWQ
V
P
V
-
A
-
D
C
A
V
T
T
A
S
L
D
S
Y
Y
G
E
A
M
S
I
G
E
R
A
P
V
A
L
L
D
F
A
A
S
A
R
L
A
V
G
E
A
L
T
N
I
A
A
T
Q
I
G
D
I
K
R
I
K
L
S
A
N
W
M
A
AA
G
H
P
G
E
D
A
G
L
Y
D
A
V
K
A
V
G
E
E
L
C
P
Q
L
G
L
T
I
P
V
G
K
D
S
M
S
M
K
T
R
W
Q
E
G
N
E
Q
R
E
M
T
S
P
L
S
L
V
I
S
A
F
A
R
V
E
D
V
R
H
T
L
T
P
Q
L
S
T
E
D
N
A
L
L
L
I
D
L
-
G
-
K
G
H
N
A
L
G
A
T
A
L
A
Q
V
Y
R
Q
L
G
D
K
P
A
D
V
R
--
D
V
A
Q
L
K
G
F
Y
D
A
M
Q
A
L
V
A
A
R
K
L
L
A
W
H
D
R
S
D
G
G
L
L
V
T
L
A
E
M
A
F
A
G
H
C
G
V
Q
V
D
I
-
A
A
LGDD-----
H
L
A
A
L
F
N
E
E
L
G
G
-
V
I
Q
V
R
A
E
D
R
D
A
V
E
A
L
L
A
Q
Y
G
L
A
-
D
-
C
V
H
Y
L
G
Q
A
L
A
G
D
R
F
V
I
T
A
--
N
D
Q
T
V
F
S
E
S
R
T
T
L
R
V
W
W
---------
8
PsiBlast_PDB
76.84
24%
-41
- C4 -
4R7G
6
PUR4_SALTY
A:
[205-991]
---------------------------------
L
G
-------
R
N
P
N
D
I
E
L
Y
M
F
A
Q
A
N
S
E
H
C
R
H
K
IFN
A
D
W
I
I
D
G
K
P
QPKS
L
F
K
M
I
K
N
T
----
F
E
-----
T
------
T
P
D
Y
V
L
S
A
Y
--
K
D
N
A
A
V
M
E
-
G
S
A
V
G
R
Y
F
A
D
HNTG
R
Y
D
F
H
QEPA
H
I
L
M
K
V
E
T
H
N
H
P
T
A
I
S
P
W
P
G
A
A
T
G
S
G
G
E
I
R
D
E
G
A
T
G
R
G
A
K
P
K
A
G
L
I
G
F
S
V
S
N
L
R
I
P
G
F
E
Q
P
W
EEDFGKPERIVT
A
L
D
I
M
T
E
G
P
L
G
G
A
A
F
N
N
E
F
G
R
P
A
L
T
G
Y
F
R
T
Y
E
E
K
V
N
S
H
--
N
G
E
E
L
R
G
Y
HK
P
I
M
L
A
G
G
I
G
N
I
R
A
D
H
V
Q
K
G
E
I
V
-
V
G
A
K
L
I
V
---
L
G
G
P
A
M
N
I
G
--------------------
F
--
A
S
---
V
Q
R
D
N
P
E
M
--
E
R
R
C
Q
E
V
I
D
R
C
W
Q
-
L
G
D
A
N
P
-
I
L
F
-
I
H
D
V
G
A
G
G
L
S
N
A
M
P
E
L
V
S
D
G
G
R
G
G
K
F
E
L
R
D
I
L
--------------------
S
D
E
--------
P
---------------------------
G
M
S
----------------
P
L
E
I
W
--
C
N
E
-------------
S
Q
-
E
R
Y
V
----------
L
A
V
A
A
D
Q
L
P
L
F
D
E
L
C
K
R
E
-
R
A
P
Y
A
V
I
G
D
A
T
E
E
Q
H
L
S
L
--
H
D
N
H
F
D
N
Q
P
I
--------
D
L
P
L
D
V
L
L
G
K
T
P
K
M
T
R
D
V
Q
--
T
L
K
A
K
G
D
A
L
N
RADI
T
I
A
D
A
V
K
R
V
L
H
L
P
T
V
A
E
K
--
T
F
L
V
T
I
G
D
R
T
V
T
GMVA
R
D
Q
M
V
GPWQ
V
P
V
-
A
-
D
C
A
V
T
T
A
S
L
D
S
Y
Y
G
E
A
M
S
I
G
E
R
A
P
V
A
L
L
D
F
A
A
S
A
R
L
A
V
G
E
A
L
T
N
I
A
A
T
Q
I
G
D
I
K
R
I
K
L
S
A
N
W
M
A
AA
G
H
P
G
E
D
A
G
L
Y
D
A
V
K
A
V
G
E
E
L
C
P
Q
L
G
L
T
I
P
V
G
K
D
S
M
S
M
K
T
R
W
Q
E
G
N
E
Q
R
E
M
T
S
P
L
S
L
V
I
S
A
F
A
R
V
E
D
V
R
H
T
L
T
P
Q
L
S
T
E
D
N
A
L
L
L
I
D
L
-
G
-
K
G
H
N
A
L
G
A
T
A
L
A
Q
V
Y
R
Q
L
G
D
K
P
A
D
V
R
--
D
V
A
Q
L
K
G
F
Y
D
A
M
Q
A
L
V
A
A
R
K
L
L
A
W
H
D
R
S
D
G
G
L
L
V
T
L
A
E
M
A
F
A
G
H
C
G
V
Q
V
D
I
-
A
A
LGDD-----
H
L
A
A
L
F
N
E
E
L
G
G
-
V
I
Q
V
R
A
E
D
R
D
A
V
E
A
L
L
A
Q
Y
G
L
A
-
D
-
C
V
H
Y
L
G
Q
A
L
A
G
D
R
F
V
I
T
A
--
N
D
Q
T
V
F
S
E
S
R
T
T
L
R
V
W
W
---------
4
PsiBlast_PDB
76.38
38%
-70
- C4 -
2HS4
6
PURL_THEMA
A:
[13-502]
---------------------------------
L
G
-------
R
E
P
T
F
V
E
L
Q
A
F
S
V
M
W
S
E
H
C
G
Y
S
--------
H
T
K
K
--------
Y
I
R
R
----
L
P
-----
K
------
T
G
---
F
E
G
-----
N
A
G
V
V
N
L
D
D
Y
Y
S
V
A
F
-------------------
K
I
E
S
H
N
H
P
S
A
I
E
P
Y
N
G
A
A
T
G
V
G
G
I
I
R
D
--
V
L
A
M
G
A
R
P
T
A
I
F
-----
D
S
L
--------
H
------------
M
S
R
I
I
D
G
I
I
E
G
I
A
D
Y
G
N
S
I
G
V
P
T
V
G
G
E
L
R
I
--
S
S
L
Y
A
H
--
N
---------
P
L
V
N
V
L
A
A
G
V
V
R
N
D
M
L
V
D
S
K
A
S
R
P
G
Q
V
I
V
I
---
F
G
G
A
T
G
R
D
G
I
H
G
A
S
F
A
S
E
D
L
T
G
D
-
K
--
A
T
K
--
L
S
---
I
Q
V
G
D
P
F
A
--
E
K
M
---
L
I
E
A
F
L
E
M
V
E
E
--
G
-
L
V
E
G
A
Q
D
L
G
A
G
G
V
L
S
A
T
S
E
L
V
A
K
G
N
L
G
A
I
V
H
L
D
R
V
P
--------------------
L
R
E
--------
P
---------------------------
D
M
E
----------------
P
W
E
I
L
--
I
S
E
-------------
S
Q
-
E
R
M
A
----------
V
V
T
S
P
Q
K
A
S
R
I
L
E
I
A
R
K
H
-
L
L
F
G
D
V
V
A
E
V
I
E
E
P
V
Y
R
V
M
Y
R
N
D
L
V
M
E
V
P
V
Q
L
L
A
N
A
P
E
E
D
I
V
E
Y
T
P
G
K
I
P
-
E
F
K
R
V
E
--
F
E
E
--------------------------
V
N
A
--
R
E
V
F
E
Q
Y
D
H
M
V
G
----
T
D
T
V
V
----
P
P
G
-
F
-
G
A
A
V
M
R
I
K
--
R
D
G
G
Y
S
L
V
T
H
S
R
A
D
L
A
L
Q
D
T
Y
W
G
T
L
I
A
V
L
E
S
V
R
K
T
L
S
V
G
-
A
E
P
L
A
I
T
N
C
V
N
Y
----
G
D
P
D
V
D
P
V
--
G
L
S
A
M
M
T
A
L
K
N
A
C
E
F
S
G
V
P
V
A
S
G
N
A
S
L
---
Y
N
T
Y
Q
G
K
P
I
P
P
T
L
---
V
V
G
M
L
G
K
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
75.68
38%
-74
- C4 -
2HRU
4
PURL_THEMA
A:
[13-502]
---------------------------------
L
G
-------
R
E
P
T
F
V
E
L
Q
A
F
S
V
M
W
S
E
H
C
G
Y
S
--------
H
T
K
K
--------
Y
I
R
R
----
L
P
-----
K
------
T
G
---
F
E
G
-----
N
A
G
V
V
N
L
D
D
Y
Y
S
V
A
F
-------------------
K
I
E
S
A
N
H
P
S
A
I
E
P
Y
N
G
A
A
T
G
V
G
G
I
I
R
D
--
V
L
A
M
G
A
R
P
T
A
I
F
-----
D
S
L
--------
H
------------
M
S
R
I
I
D
G
I
I
E
G
I
A
D
Y
G
N
S
I
G
V
P
T
V
G
G
E
L
R
I
--
S
S
L
Y
A
H
--
N
---------
P
L
V
N
V
L
A
A
G
V
V
R
N
D
M
L
V
D
S
K
A
S
R
P
G
Q
V
I
V
I
---
F
G
G
A
T
G
R
D
G
I
-----------------------------
V
G
D
P
F
A
--
E
K
M
---
L
I
E
A
F
L
E
M
V
E
E
--
G
-
L
V
E
G
A
Q
D
L
G
A
G
G
V
L
S
A
T
S
E
L
V
A
K
G
N
L
G
A
I
V
H
L
D
R
V
P
--------------------
L
R
E
--------
P
---------------------------
D
M
E
----------------
P
W
E
I
L
--
I
S
E
-------------
S
Q
-
E
R
M
A
----------
V
V
T
S
P
Q
K
A
S
R
I
L
E
I
A
R
K
H
-
L
L
F
G
D
V
V
A
E
V
I
E
E
P
V
Y
R
V
M
Y
R
N
D
L
V
M
E
V
P
V
Q
L
L
A
N
A
P
E
E
D
I
V
E
Y
T
P
G
K
I
P
-
E
F
K
R
V
E
--
F
E
E
--------------------------
V
N
A
--
R
E
V
F
E
Q
Y
D
H
M
V
G
----
T
D
T
V
V
----
P
P
G
-
F
-
G
A
A
V
M
R
I
K
--
R
D
G
G
Y
S
L
V
T
H
S
R
A
D
L
A
L
Q
D
T
Y
W
G
T
L
I
A
V
L
E
S
V
R
K
T
L
S
V
G
-
A
E
P
L
A
I
T
N
C
V
N
Y
----
G
D
P
D
V
D
P
V
--
G
L
S
A
M
M
T
A
L
K
N
A
C
E
F
S
G
V
P
V
A
S
G
N
A
S
L
---
Y
N
T
Y
Q
G
K
P
I
P
P
T
L
---
V
V
G
M
L
G
K
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
75.45
38%
-78
- C4 -
2HRY
4
PURL_THEMA
A:
[13-502]
---------------------------------
L
G
-------
R
E
P
T
F
V
E
L
Q
A
F
S
V
M
W
S
E
H
C
G
Y
S
--------
H
T
K
K
--------
Y
I
R
R
----
L
P
-----
K
------
T
--------------
G
V
V
N
L
D
D
Y
Y
S
V
A
F
-------------------
K
I
E
S
A
N
H
P
S
A
I
E
P
Y
N
G
A
A
T
G
V
G
G
I
I
R
D
--
V
L
A
M
G
A
R
P
T
A
I
F
-----
D
S
L
--------
H
------------
M
S
R
I
I
D
G
I
I
E
G
I
A
D
Y
G
N
S
I
G
V
P
T
V
G
G
E
L
R
I
--
S
S
L
Y
A
H
--
N
---------
P
L
V
N
V
L
A
A
G
V
V
R
N
D
M
L
V
D
S
K
A
S
R
P
G
Q
V
I
V
I
---
F
G
G
A
T
G
R
D
G
I
-----------------------------
V
G
D
P
F
A
--
E
K
M
---
L
I
E
A
F
L
E
M
V
E
E
--
G
-
L
V
E
G
A
Q
D
L
G
A
G
G
V
L
S
A
T
S
E
L
V
A
K
G
N
L
G
A
I
V
H
L
D
R
V
P
--------------------
L
R
E
--------
P
---------------------------
D
M
E
----------------
P
W
E
I
L
--
I
S
E
-------------
S
Q
-
E
R
M
A
----------
V
V
T
S
P
Q
K
A
S
R
I
L
E
I
A
R
K
H
-
L
L
F
G
D
V
V
A
E
V
I
E
E
P
V
Y
R
V
M
Y
R
N
D
L
V
M
E
V
P
V
Q
L
L
A
N
AP
E
E
D
I
V
E
Y
T
P
G
K
I
P
-
E
F
K
R
V
E
--
F
E
E
--------------------------
V
N
A
--
R
E
V
F
E
Q
Y
D
H
M
V
G
----
T
D
T
V
V
----
P
P
G
-
F
-
G
A
A
V
M
R
I
K
--
R
D
G
G
Y
S
L
V
T
H
S
R
A
D
L
A
L
Q
D
T
Y
W
G
T
L
I
A
V
L
E
S
V
R
K
T
L
S
V
G
-
A
E
P
L
A
I
T
N
C
V
N
Y
----
G
D
P
D
V
D
P
V
--
G
L
S
A
M
M
T
A
L
K
N
A
C
E
F
S
G
V
P
V
A
S
G
N
A
S
L
---
Y
N
T
Y
Q
G
K
P
I
P
P
T
L
---
V
V
G
M
L
G
K
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
74.58
38%
-78
- C4 -
2HS0
4
PURL_THEMA
A:
[13-502]
---------------------------------
L
G
-------
R
E
P
T
F
V
E
L
Q
A
F
S
V
M
W
S
E
H
C
G
Y
S
--------
H
T
K
K
--------
Y
I
R
R
----
L
P
-----
K
------
T
G
---
F
E
G
-----
N
A
G
V
V
N
L
D
D
Y
Y
S
V
A
F
-------------------
K
I
E
S
H
N
H
P
S
A
I
E
P
Y
N
G
A
A
T
G
V
G
G
I
I
R
D
--
V
L
A
M
G
A
R
P
T
A
I
F
-----
D
S
L
--------
H
------------
M
S
R
I
I
D
G
I
I
E
G
I
A
D
Y
G
N
S
I
G
V
P
T
V
G
G
E
L
R
I
--
S
S
L
Y
A
H
--
N
---------
P
L
V
N
V
L
A
A
G
V
V
R
N
D
M
L
V
D
S
K
A
S
R
P
G
Q
V
I
V
I
---
F
G
G
A
T
G
R
D
G
I
---------------------------
I
Q
V
G
D
P
F
A
--
E
K
M
---
L
I
E
A
F
L
E
M
V
E
E
--
G
-
L
V
E
G
A
Q
D
L
G
A
G
G
V
L
S
A
T
S
E
L
V
A
K
G
N
L
G
A
I
V
H
L
D
R
V
P
--------------------
L
R
E
--------
P
---------------------------
D
M
E
----------------
P
W
E
I
L
--
I
S
E
-------------
S
Q
-
E
R
M
A
----------
V
V
T
S
P
Q
K
A
S
R
I
L
E
I
A
R
K
H
-
L
L
F
G
D
V
V
A
E
V
I
E
E
P
V
Y
R
V
M
Y
R
N
D
L
V
M
E
V
P
V
Q
L
L
A
N
A
P
E
E
D
I
V
E
Y
T
P
G
K
I
P
-
E
F
K
R
V
E
--
F
E
E
--------------------------
V
N
A
--
R
E
V
F
E
Q
Y
D
---
G
----
T
D
T
V
V
----
P
P
G
-
F
-
G
A
A
V
M
R
I
K
--
R
D
G
G
Y
S
L
V
T
H
S
R
A
D
L
A
L
Q
D
T
Y
W
G
T
L
I
A
V
L
E
S
V
R
K
T
L
S
V
G
-
A
E
P
L
A
I
T
N
C
V
N
Y
----
G
D
P
D
V
D
P
V
--
G
L
S
A
M
M
T
A
L
K
N
A
C
E
F
S
G
V
P
V
A
S
G
N
A
S
L
---
Y
N
T
Y
Q
G
K
P
I
P
P
T
L
---
V
V
G
M
L
G
K
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
57.91
22%
-68
- C4 -
3VIU
3
PURL_THET8
A:
[26-360]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
N
----
R
V
E
L
L
L
F
K
V
M
W
S
E
H
C
A
Y
K
NS
R
P
L
L
K
A
L
P
K
E
G
-----
E
A
V
L
Q
----
G
P
G
-
E
-
N
A
G
V
V
R
V
G
-
E
G
-
W
A
V
A
F
K
I
E
S
H
N
H
P
S
A
V
E
P
F
Q
G
A
A
T
G
V
G
G
I
L
R
D
I
M
S
M
G
-
A
R
P
I
A
L
L
D
S
L
R
F
----
G
P
P
E
E
A
R
S
R
Y
L
L
K
G
V
V
S
G
I
A
F
Y
G
N
A
I
G
V
P
T
V
G
G
D
L
Y
F
---
H
E
G
Y
R
---
E
N
P
L
V
---
N
A
M
C
L
G
L
L
R
E
E
-
H
L
K
R
S
R
A
S
-
L
G
R
P
I
Y
Y
A
G
A
K
T
G
R
D
G
I
----------------------VG
D
P
F
L
G
K
L
L
M
E
A
T
L
E
A
I
E
L
D
L
V
E
G
V
Q
D
M
G
A
A
G
L
T
S
S
L
S
E
L
A
H
K
S
G
L
G
V
E
L
H
L
-
D
L
VPTREEGMT
P
E
E
L
L
L
S
E
S
Q
E
R
M
V
L
V
P
K
E
G
K
----
E
K
A
L
E
E
V
F
G
R
W
G
L
D
C
V
P
V
A
R
T
I
P
E
R
V
F
R
-
V
L
F
R
G
E
V
V
A
E
V
P
T
-
E
A
L
-------------
28
HHSearch
51.73
21%
-45
- C4 -
3U0O
1
SELD_ECOLI
A:
[29-339]
--------------------------------------------------------------------------------------------
I
L
-----
H
SEQA
K
F
V
D
P
N
L
L
V
G
N
ET
R
D
D
A
A
V
Y
D
L
G
N
G
T
S
V
I
S
-------------------
T
T
D
F
-
F
M
P
I
V
D
N
P
F
D
F
G
R
I
A
A
T
N
A
I
S
D
--
I
F
A
M
G
G
K
P
I
M
A
I
-----
A
I
L
G
W
P
I
N
K
--
L
------------
S
P
E
I
A
R
E
V
T
E
G
G
R
Y
A
C
R
Q
A
G
I
A
L
A
G
G
H
S
I
D
--
A
P
------
E
---------
P
I
F
G
L
A
V
T
G
I
V
P
T
E
R
V
K
K
N
S
T
A
Q
A
G
C
K
L
F
L
---
T
K
----
P
L
G
I
G
V
L
T
T
A
E
K
---
K
S
L
L
---
K
P
--
E
H
---
Q
G
L
A
T
E
V
M
--
C
R
----
M
N
I
A
G
A
S
F
A
N
--
I
E
-
G
V
K
A
M
T
D
V
T
G
F
G
L
L
G
H
L
S
E
M
C
Q
G
A
G
V
Q
A
R
V
D
Y
E
A
I
P
--------------------
K
L
P
--------
G
---------------------------
V
E
E
Y
I
KLGAVP
G
G
T
E
R
N
F
A
S
Y
G
H
L
--
M
G
E
MP
R
E
V
R
D
L
L
C
DPQ
T
S
-
G
G
L
L
----------
L
A
V
M
P
E
A
E
N
E
V
K
A
T
A
A
E
F
-
G
I
E
L
T
A
I
G
E
L
V
P
A
R
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
50.47
17%
-68
- C4 -
2ZOD
1
SELD_AQUAE
A:
[12-344]
--------------------------------------------------
E
L
L
K
L
V
R
------------------
G
--------
D
L
Q
E
ILKG
F
N
-----
I
Y-----
T
-----------
D
D
A
G
V
Y
E
H
N
-
G
I
I
W
V
Y
-------------------
T
V
D
I
I
-
T
P
V
V
N
D
P
Y
L
W
G
A
I
S
T
A
N
A
L
S
D
--
V
Y
A
M
G
G
I
P
V
N
A
L
-----
A
I
S
C
F
N
N
C
E
--
L
------------
D
I
E
I
F
R
E
V
I
R
G
A
L
D
K
L
R
E
A
K
T
V
L
L
G
G
H
T
I
D
--
D
K
------
E
---------
P
K
F
G
L
S
V
A
G
I
C
P
E
G
K
Y
I
T
Q
S
G
A
Q
V
G
Q
L
L
I
L
---
T
K
----
P
I
G
T
--
G
I
L
I
K
G
-
L
K
E
G
I
---
L
K
E
--
E
D
---
I
N
E
A
I
E
N
M
--
L
A
----
L
N
D
K
A
R
N
L
M
L
--
S
L
-
D
A
T
A
C
T
D
V
T
G
F
G
L
L
G
H
A
W
N
I
C
K
N
S
N
I
G
A
R
I
F
F
E
K
V
P
--------------------
Y
Y
Q
--------
L
S
E
N
L
V
K
K
KIYP
K
G
A
I
E
N
L
N
F
V
KNYLKS
N
L
D
----------------
N
W
K
L
I
L
L
S
D
P
V------------
T
S
-
G
G
L
L
----------
F
T
I
N
K
E
K
L
E
K
I
D
E
T
A
K
E
L
-
E
V
N
Y
W
I
I
G
E
T
I
A
E
N
V
L
E
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
49.57
16%
-51
- C4 -
2YYE
8
SELD_AQUAE
A:
[3-345]
---------------------------------------------
G
G
I
M
V
E
L
L
K
L
V
R
S
S
G
C
A
A
K
--------
V
G
P
G
--------
D
L
Q
E
----
I
L
K
G
FNI
Y
------
T
D
E
S
T
L
V
S
I
--
G
D
D
A
G
V
Y
E
H
N
G
--
I
I
W
V
-------------------
Y
T
V
D
I
I
T
P
V
V
N
D
P
Y
L
W
G
A
I
S
T
A
N
A
L
S
D
--
V
Y
A
M
G
G
I
P
V
N
A
L
-----
A
I
S
C
F
N
N
C
E
L
D
--------------
I
E
I
F
R
E
V
I
R
G
A
L
D
K
L
R
E
A
K
T
V
L
L
G
G
H
T
I
D
--
D
K
------
E
---------
P
K
F
G
L
S
V
A
G
I
C
P
E
G
K
Y
I
T
Q
S
G
A
Q
V
G
Q
L
L
I
L
T
K
P
I
G
T
G
I
L
I
K
G
L
K
E
G
I
L
K
E
E
D
I
N
E
A
I
E
--
N
M
L
--
A
L
---
N
D
K
A
R
N
L
M
--
L
S
L
---
D
A
T
A
C
T
D
V
T
---------------
G
F
G
L
L
G
H
A
W
N
I
C
K
N
S
N
I
G
A
R
I
F
F
E
K
V
P
Y
Y
Q
L
S
E
N
L
V
K
K
K
I
Y
P
K
G
A
I
E
N
L
N
--------
F
---------------------------
V
K
N
----------------
Y
L
K
S
N
--
L
D
N
-------------
W
K
-
L
I
L
L
S
DPVTS
G
G
L
L
F
T
I
N
K
E
K
L
E
K
I
D
E
T
A
K
E
L
-
E
V
N
Y
W
I
I
G
E
T
I
A
E
N
V
L
E
V
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
HHSearch
48.52
18%
-57
- C4 -
3M84
13
?
A:
[7-349]
--------------
L
K
Y
E
D
A
G
V
N
I
E
A
G
N
Q
A
V
E
R
M
K
Q
H
V
K
K
T
F
T
Q
D
V
L
T
G
L
G
S
F
G
S
L
Y
S
L
K
N
I
I
N
-----------------------
N
----
Y
D
-----
D
------
P
---
V
L
V
Q
S
--
I
D
G
-----
V
G
T
K
T
K
V
A
V
-------------------
M
C
G
--------
K
F
E
N
L
G
Y
D
L
F
S
A
A
T
N
D
--
I
V
V
M
G
A
K
P
I
T
F
L
-----
D
Y
V
A
H
D
K
L
----------------
D
P
A
I
M
E
E
L
V
K
G
M
S
K
A
C
A
E
C
G
V
S
L
V
G
G
E
T
A
E
--
M
P
G
V
Y
Q
AG
E
---------
I
D
M
V
G
V
I
T
G
I
V
D
R
K
R
I
I
N
G
E
N
I
K
E
G
D
I
V
F
G
---
L
S
-
S
S
G
L
H
T
N
G
Y
S
F
A
-
R
K
L
F
F
D
V
A
G
NK
H
T
D
TY
P
E
LEG
K
T
I
G
D
V
L
L
EP
H
I
N
---
Y
T
N
I
I
H
D
F
L
D
--
N
G
V
D
I
K
G
M
A
H
I
T
G
G
G
F
I
E
N
I
P
R
V
L
P
Q
-
G
L
G
A
Q
I
D
K
D
S
F
A
--------------------
T
P
A
I
F
K
L
M
Q
R
I
G
---------------------------
D
I
S
----------------
E
F
E
M
Y
--
R
S
F
-------------
N
M
G
I
G
M
T
----------
I
I
A
S
Q
D
Q
F
D
K
M
Q
E
L
A
K
K
H
T
N
T
K
L
Y
Q
I
G
K
I
T
N
S
G
K
V
E
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------