@TOME V2.3
(Nov 2016)
Ref.
-
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : Wbm0304: (2015-11-30 )
MLKKIIISFSIALLLIFCFFIFFKGESPLEINISYINFYVKSKISKTFANSDVDIGSTSVILQKDGKDPYLVITNLKIVNSGFIIEAPNLFVHFKLSSLFRANVKISQVLADSVCAYVDQEKAGFKVVDFDLKNSLKAVREFFFDLNTGSRIEITNIAINKSTEGELFIDELYIGKREDFNVLDIRVHTKDEKGFLDDLSITIKNRNGLLNVYGIFYNLKLKLFSEFSTLIKNYNLGKNIGFKGNFSMRISGKNEIIDGNVYILNTENRVNKNLAITNVNINLTYSDGVIGVKNFHFNLNGTYLSLMGKMNFSANHALFRVNISKFAAKDLCTYVPDYIINSEFKSWYCDNIDGNILNVIVSFNGKINNLINNDLSDVIVVADIENGSVKFDEDFEQVRELSGDLVLKNDSLKITVNSAKFQNFTINGCNIEMNSLDREDSVLTINGQAVSDAYGLYEPIKFKLDDVIKVEKNKIGGAAKSVFNFRVFNINADDKEVNFSAKFHSEIDNLVIYDANLGRYDIKLDFGSDFIDLNGSGIVNNTQLLFDLKSSNKNESFTWSLTGDLPAQILNFNGGYFNANIESVINQDKTGYVNGNVDLSEFELRSSYLGWKNRFEDHNKILFSVKLKGANRLLIDRLDVIGSDLDIKFSGRVENGDLYLNTSSFKLPNNDLSIEIKSSKGKNIINVCGEKINLSDVLDLLGKNDSGLSNNVEVSMNVDNVIMKEGIVIKDASLNISCTKGNCNGSQFTGQFLEDNSNILAEYSEIGLEIHADNSGMLLRSLGISKSVKNGKLSFYLSPQRESGEHYGMLSIGNFYIKDAPLLTTLLSMSSLPGIVNTIKNEGVYFYKYNAPFSHKDGTVEIEESWLEGAELGISTSGKLDIRGYKFQVEGQVIPAYSINKSLLKIPIVGKLLTGGKSRGIISIDYKASGDDKNSNIFVNFISSLTPSLLKRLLGVFDRAMTKANEAITNSLKGGMKKKFSSV
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----.....-..740.--......750.......760.......770.......780.---......790.......800.----.......810.-..-..----------..820..---------.....830......--.-840.......850-........860..-------------.....870.......880.......890.......900.......-910.......-920.......930.......940.......950.......960.......970..--.....980.------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------ML
K
K
I
I
I
S
F
S
I
A
L
L
L
I
F
C
F
F
I
F
FKGES
P
L
E
I
N
I
S
-
Y
I
N
F
Y
V
K
S
K
I
S
-
K
T
FANSDVDIG
S
T
S
V
I
L
QK-DGKD
P
--------
Y
L
V
I
T
N
---
L
K
I
V
NS
G
F
I
I
EAP
N
L
F
V
H
--
F
K
L
S
------
S
L
F
RAN
V
K
I
-------
S
Q
V
L
A
D
S
V
C
A
Y
V
DQ-EKA----G
F
K
V
V
D
F
D
----
L
K
N
S
L
K
A
V
R
E
F
F
F
DLNTG
S
R
I
E
I
T
N
I
A
INKSTEG
E
L
F
-
I
----
D
--
E
LYIGKRED----F
N
V
L
D
I
R
V
H
TKD--EKG---FLDD
L
S
I
T
I
K---NRNG
L
L
N
V
Y
----------
G
I
F
Y
N
L
K
L
-------
K
L
F
S
E
F
--
S
T
L
I
-----KNYNLGKNIGFKG-
N
F
S
M
R
ISGKN
E
I
ID-------G
N
V
Y
I
L
NTE-N----------------RVN---K
N
L
A
I
T
N
V
N
I
N
L
T
YSD-
G
V
I
-
G
V
K
N
F
H
F
N---LN--G
T
Y
L
S
L
-
M
G------KMN----FSAN
H
A
L
F
---
R
V
N
I
S
-
K
F
A
A
K
-----------
D
L
C
T
Y
V
-
P
D
Y
I
-----INS--
E
F
K
S
W
YCDNIDG
N
I
L
N
V
I
V
SFN----------G
K
--------------
I
N
N
L
I
NN--D-----LS
D
V
I
V
V
A
DIENG
S
V
KF
D
--
E
D
F
E
Q
V
R
E
LSG
D
L
V
L
----K-ND
S
L
K
I
T
VNSA
K
F
Q
N
F
T
I
NG
C
N
I
E
MNS----------LDRED
S
V
L
T
INGQAVSDAYG------LYEP
I
K
F
KLD---
D
V
I
K
V
E---KNKIGGAA
K
S
V
F
N
F
---
R
V
F
N
INADDK
E
V
-
N
-
F
S
A
K
F
HSEID
N
L
V
I
Y
DANL--
G
R
Y
D
I
K
L
D-FGS
D
F
I
DLN-----G-SGIVNN
T
Q
L
L
F
D
LKSSNKNE
S
F
T
W
S
LTGDL
P
A
------
Q
ILN---FNG
G
Y
FN
A
N
I
E
S
V
INQDK
T
G
Y
VNGNV
D
L
S
E
F
E
L
R
S
S
YL
G
W
-----
K
NRFEDH
N
K
I
L
F
S
V
K
LKGA
N
R
L
L
I
D
R
L
D
VIGSD---
L
D
I
K
F
S
-
G
------------
R
V
EN
G
D
L
Y
L
NTSSFKLPNN
D
L
S
I
E
I
---------------KSSKGK
N
I
I
N
V
CGE-KI
N
L
S
------
D
V
L
D
L
LGKNDSGLSN
N
V
E
-------
V
S
M
NVD
N
V
I
M-K----E
G
I
V
I
K
DA----
S
L
N
I
S
-
C
TKGNC--NGS
Q
F
T
G
Q
F
L
EDN
S
N
I
L
A
E
Y
S
EI
G
L
E
I
HADNS
G
M
L
L
RSLG---ISKSVKNG
K
L
S
F
Y
LSPQR-E----SGEHY
G
M
L
S
IG-
N
F
-
Y
I----------KD
A
P
L
L
T
---------
T
L
L
S
M
SSL
P
G
I
V
N
T
--I-KNE
G
V
Y
F
Y
KYNA--PFSHKDG
T
V
E
I
E
E
-------------
S
WLE
G
A
ELGISTS
G
K
L
D
I
R
G
Y
K
F
Q
VE
G
Q
V
I
P
A
YSINKS
L
L
KIPI
V
-
G
K
LLTGGKSR-
G
I
I
S
I
D
Y
K
ASGDDKNS
N
I
F
V
N
F
I
S
S
L
T
P
S
L
L
K
R
L
L
G
V
F
D
R
A
M
T
K
A
N
E
A
I
T
N
S
L
K
G
--
G
M
K
K
KFSSV------------
65
Fugue
84.24
16%
-32
- C7 -
2EYQ
5
MFD_ECOLI
A:
[5-1150]
PEQYR
Y
T
L
P
V
K
A
G
E
Q
R
L
L
G
E
L
T
G
A
A
C
A
T
L
V
A
E
I
A
E
R
H
A
G
P
V
V
L
I
A
P
D
M
Q
N
A
L
R
L
H
D
E
I
-
S
Q
F
T
D
Q
M
V
M
N
L
A
D
W
E
T
L
P
Y
-
D
S
F
S
P
H
Q
D
I
I
S
S
R
L
S
T
L
Y
Q
---
L
P
T
M
Q
R
G
V
L
I
V
P
V
N
T
L
M
Q
R
V
C
P
H
S
------
F
L
H
G
H
A
L
V
M
-------
K
K
G
Q
R
L
S
R
D
A
L
R
T
Q
L
D
S
A
----
G
Y
R
H
V
D
Q
V
----
M
E
H
G
E
Y
A
T
R
G
A
L
L
D
L
F
P
M
G
S
E
L
P
Y
R
L
D
F
F
D
D
E
I
D
S
L
R
-
V
F
D
VD
S
--
Q
R
T
L
E
E
V
E
A
----
I
N
L
L
P
A
H
E
F
P
T
D
--
K
A
A
I
E
L
F
R
S
Q
W
R
D
T
F
E
---
V
K
R
D
P
E
H
I
Y
Q
Q
V
S
K
GTLPA
G
I
E
Y
W
Q
P
L
F
F
SEPLP
P
L
F
S
Y
F
PA
N
T
L
L
-----
V
N
T
G
D
L
E
T
S
A
E
R
F
-
Q
A
D
T
L
A
R
F
E
N
R
G
V
D
-------
P
M
R
P
L
L
P
P
Q
-
S
LWLR
V
D
E
L
F
S
E
L
K
N
W
P
R
V
Q
L
K
T
E
H
L
P
T
K
A
A
N
A
N
L
G
F
Q
K
L
P
D
L
-
A
V
Q
A
Q
Q
K
A
---
P
L
--
D
A
L
R
K
F
-
L
E
------
T
F
D
G
P
V
V
F
S
V
E
S
E
G
R
---
R
E
A
L
G
-
E
L
L
A
R
I
K
I
A
P
Q
R
I
MRL
D
E
A
S
D
R
-
G
R
Y
L
-----
M
I
G
--
A
A
E
H
G
F
V
D
T
V
R
N
L
A
L
I
C
E
S
D
L
L
----------
G
E
R
V
A
R
R
RQDSRRTIN
P
D
T
L
I
R
N
LA
E
-----
L
H
I
G
Q
P
V
V
H
L
E
H
G
V
G
R
Y
A
G
M
T
T
L
E
A
G
G
I
T
G
E
Y
L
M
L
----
T
Y
A
N
D
A
K
L
Y
V
P
V
S
S
L
H
L
I
S
R
Y
A
G
G
A
E
E
N
A
PLHKLGGD
A
W
S
R
A
R
Q
K
A
A
E
K
V
R
D
V
A
A
E
L
L
D
------
I
Y
A
Q
R
A
A
K
E
G
---
F
A
F
K
H
D
---
R
E
Q
Y
Q
L
F
C
D
S
F
P
F
E
---
T
T
P
D
Q
A
Q
A
I
N
A
V
-
L
-
S
D
M
C
Q
P
L
A
M
D
R
L
V
C
G
D
V
G
F
--
G
K
T
E
V
A
M
R
-
A
A
F
L
A
V
D
N
H
K
----
Q
-
V
A
V
L
V
P
T
T
L
L
A
Q
Q
H
Y
D
N
F
R
D
R
F
A
-----
N
W
P
V
------
R
I
E
M
I
SR
F
R
S
A
K
E
Q
T
Q
I
L
A
E
V
A
E
G
K
I
D
I
L
I
G
T
H
K
L
L
Q
S
D
V
K
F
K
D
L
G
L
L
I
V
D
E
E
H
R
F
G
V
R
H
K
E
R
I
K
A
M
R
A
N
V
D
I
L
T
L
T
A
T
P
I
P
-
R
T
---
L
N
M
A
M
S
-
G
M
R
D
L
S
I
IATPPA
R
R
L
A
V
K
T
F
V
R
E
Y
D
S
M
V
V
R
E
A
I
L
R
E
I
L
R
G
G
Q
V
Y
Y
L
Y
NDVEN
I
Q
K
A
A
E
R
L
A
E
L
V
P
E
A
R
I
A
I
G
H
G
QMR
E
R
E
L
E
R
V
M
N
D
F
H
H
Q
R
F
N
V
L
-------
V
C
T
T
I
I
E
T
G
I
-
D
IPTA
N
T
I
I
I
E
R
A
DHFG
L
A
Q
L
H
-
Q
L
R
G
R
V
G
R
S
H
H
Q
A
Y
A
W
L
L
T
P
H
P
K
A
M
T
T
D
A
Q
K
R
L
E
A
I
A
S
-----
L
E
D
L
G
---
A
G
F
A
L
A
T
H
D
L
E
I
R
G
A
G
E
L
L
G
----
E
E
Q
S
G
S
M
E
T
I
G
F
S
L
-
Y
M
----------
E
L
L
E
N
A
V
---------
D
A
L
K
A
G
R
E
P
S
L
E
D
L
--
T
-
S
Q
Q
T
E
--
V
E
L
R
M
--
P
S
L
L
P
D
D
F
I
P
D
V
N
-------------
T
R
L
S
F
Y
K
R
I
A
S
A
K
T
E
N
E
L
E
E
I
K
V
E
L
I
D
R
F
G
L
L
P
D
P
A
R
T
L
L
D
I
A
----
R
L
R
Q
Q
A
Q
K
L
-
G
I
----
R
K
L
E
G
N
E
K
G
G
V
I
E
F
A
E
K
N
H
V
N
P
A
W
L
I
G
L
L
Q
K
Q
P
Q
H
Y
R
L
D
G
P
T
R
L
K
F
I
Q
D
LS
E
R
K
T
R
I
E
W
V
R
Q
F
M
R
E
L
E
E
N
AI
68
Fugue
75.05
16%
-15
- C9 -
3W5N
12
?
A:
[3-1031]
------------
A
L
--
R
V
T
S
P
S
V
E
---------
Y
V
Q
R
P
L
G
L
D
A
A
H
P
-
R
L
S
W
P
M
A
S
A
A
P
G
R
R
Q
S
A
Y
Q
V
R
V
A
S
S
A
A
G
L
S
H
P
D
V
W
D
S
--------
G
K
V
V
S
D
DSV
L
V
P
Y
A
G
P
P
L
K
P
R
T
R
Y
F
W
S
--
V
R
V
W
D
ADGGA
S
E
W
S
A
P
S
W
W
E
T
G
LMGA
S
Q
W
S
A
K
W
I
S
A
P
A
P
L
-
T
E
A
PSLE
G
S
S
W
I
W
F
P
EGEP
A
N
S
A
P
A
A
T
R
W
F
R
R
T
V
D
L
P
D
D
I
T
G
A
T
L
A
I
S
A
D
N
V
Y
A
V
S
-
V
----
D
GA
E
V
A
R
T
D
L
E
A
----
D
N
E
G
W
R
R
P
A
V
I
D
VL
D
H
V
---
H
S
G
N
N
T
L
A
V
S
---
A
S
N
A
S
V
G
P
A
----------
G
W
I
C
V
L
V
L
-------
T
T
A
S
G
E
--
K
K
I
F
SDAS
W
K
S
T
D
H
E
P
A
D
G
W
R
E
P
D
F
D
D
S
G
W
P
A
A
K
V
A
A
AWGAGPW
G
R
V
A
P
V
A
S
A
A
N
----------------
Q
L
R
---
H
E
F
R
L
P
H
K
K
V
S
R
A
R
L
Y
-
A
T
A
L
G
L
Y
E
A
H
L
N
GRR
V
G
--
R
D
Q
L
A
P
G
W
T
------
D
Y
R
----
K
R
V
Q
Y
Q
T
Y
---
D
V
T
S
S
V
R
P
G
A
N
-----------
A
L
A
A
Y
V
A
P
G
W
Y
-----
A
G
N
VG
M
F
G
P
H
Q
Y
G
E
R
P
A
L
L
A
Q
L
E
V
E
Y
A
----------
D
G
--------------
T
S
E
R
I
T
S
--
G
PD
W
R
A
A
S
G
P
I
V
S
A
D
L
L
S
G
-
E
T
Y
D
--
A
R
K
E
T
A
G
W
T
S
P
G
F
--------
D
D
R
A
W
L
A
V
R
G
A
D
N
D
V
P
E
--------
Q
I
----------
V
A
Q
V
D
G
P
V
R
I
A
K
E
L
P
A
R
K
V
T
------
E
P
K
P
G
V
F
V
L
D
LGQ
N
M
V
G
S
V
---
R
L
R
V
S
G
D
A
G
T
T
V
R
L
---
R
H
A
E
V
L
N
P
D
G
T
I
Y
T
-
A
N
L
R
S
A
A
A
T
D
T
Y
T
L
K
G
Q
G
E
--
E
T
Y
E
P
R
F
T
F
H
G
F
R
Y
V
E
V
T
-----
G
F
P
G
K
P
S
T
T
S
V
T
G
R
V
M
H
T
S
A
P
F
T
F
E
F
E
T
--------------------
N
V
P
M
L
N
K
L
H
S
N
I
T
W
G
Q
R
G
N
F
L
S
V
P
T
D
T
P
A
R
D
E
R
L
G
W
T
G
D
-----
I
N
V
F
A
P
T
A
A
Y
T
M
E
-
S
A
R
F
L
T
K
W
L
V
D
L
R
D
A
Q
T
S
D
G
A
F
T
D
V
A
P
A
V
G
------------
N
L
G
N
G
V
A
G
W
G
D
A
G
V
T
V
P
W
A
L
Y
Q
A
Y
-------------------
G
D
R
Q
V
L
A
D
A
L
P
-
S
V
H
--------
A
W
L
R
Y
L
E
K
H
S
D
G
L
L
R
P
A
D
GYGDWLN
V
S
D
E
T
P
K
D
V
I
-
A
----
T
A
Y
F
A
H
S
A
----
D
L
A
A
R
M
A
T
E
L
G
K
--
D
A
A
P
Y
T
D
L
F
T
R
I
R
K
A
F
Q
T
A
Y
V
A
S
D
G
K
V
K
G
D
T
Q
S
A
Y
V
L
T
L
S
M
NL
V
P
D
A
L
R
K
A
A
A
D
R
L
V
A
L
I
E
-
A
----
K
D
W
H
---
L
S
T
G
-
F
L
G
T
P
----------
R
L
L
P
V
L
T
D
T
GH
T
D
V
A
Y
R
L
L
H
Q
R
T
F
P
S
W
G
Y
P
--
I
D
K
G
S
T
T
M
W
E
R
W
D
S
--
I
Q
P
--
D
G
G
F
Q
T
P
E
MNSFNHYAYGSV
G
E
W
M
Y
A
N
I
A
G
I
A
P
G
R
A
----
G
Y
R
-
Q
V
V
I
R
P
R
P
G
G
E
V
T
S
A
R
A
T
F
A
S
L
H
G
P
V
S
T
R
W
Q
Q
R
S
G
G
F
V
L
T
C
S
V
P
---
P
N
T
T
A
E
V
-
W
I
P
A
D
H
P
D
R
V
Q
H
T
H
G
T
F
V
R
A
E
---
D
G
C
A
V
F
E
V
G
S
--
G
-
S
H
R
F
T
V
K
------------
64
Fugue
58.78
10%
-32
- C6 -
1JJC
2
SYFB_THET8
B:
[1-785]
--------------------
M
R
V
P
F
S
W
L
K
A
Y
V
P
E
L
E
S
P
E
V
L
E
E
R
L
A
-
G
L
G
F
E
T
D
R
I
E
R
-
V
F
P
I
P
R
G
V
V
F
A
R
V
L
E
A
H
P
I
-
P
G
T
R
L
--------
K
R
L
V
L
D
---
A
G
-
R
T
V
E
V
V
S
G
A
E
N
A
-----------------------------------------------
R
K
----
G
I
G
V
A
L
A
L
----
P
G
T
E
L
P
---------
G
L
G
Q
K
V
G
E
R
V
I
Q
-
G
V
R
S
F
G
M
A
L
S
P
----
R
--
E
L
G
V
G
E
Y
G
G
GLLE
F
P
E
D
A
L
P
P
G
T
P
L
--
S
E
A
---
W
P
E
E
V
V
L
D
L
E
V
T
P
N
R
P
D
A
L
G
L
L
----------
G
L
A
R
D
L
H
A
-------
L
G
Y
A
L
V
--
E
P
E
A
-----
A
L
K
A
E
A
L
P
L
P
F
--------------------------
A
L
K
V
E
D
P
-
E
----------------
G
A
P
---
H
F
T
L
G
Y
A
F
G
L
R
V
A
P
S
P
-
L
W
M
-
Q
R
A
L
F
A
A
G
---
M
R
PI
N
N
V
V
D
V
-
T
N
------
Y
V
M
----
L
E
R
A
Q
P
M
H
---
A
F
D
L
R
-
F
V
G
E
G
-----------
I
A
V
R
R
A
-
R
E
--------
G
E
--
R
L
K
T
L
D
G
V
E
R
T
L
H
P
E
D
L
V
I
A
G
W
----------
R
---------------------
G
--
E
-----
E
S
F
P
L
G
L
A
G
V
M
G
G
A
-----------------
E
S
E
V
----
R
-
E
D
T
E
A
I
A
L
E
V
A
C
F
D
P
V
S
I
R
K
T
A
R
R
H
G
L
----------
R
T
E
A
S
H
R
F
E
R
G
V
D
P
--------------
L
G
Q
V
P
A
Q
R
---
R
A
L
S
L
L
---
Q
A
L
A
G
A
--
R
V
A
E
A
L
---
L
E
A
G
S
P
K
P
P
E
A
I
-
P
-
F
R
P
E
Y
A
N
R
L
L
G
T
S
Y
P
E
A
E
Q
--
I
A
I
L
K
R
L
G
-
C
--
R
V
E
G
E
G
-----
P
-
T
Y
R
V
T
P
P
S
H
R
L
D
L
R
L
-----------
E
E
D
L
V
E
------
E
V
A
R
---
I
Q
G
---
Y
E
T
I
P
L
A
L
P
A
F
F
P
A
P
D
N
R
G
V
E
--------------------------------
A
P
Y
R
K
E
Q
R
L
R
E
V
L
S
G
L
G
F
Q
---
E
V
Y
T
Y
S
-
F
------------
M
D
P
E
D
A
R
R
F
R
L
D
P
P
R
L
L
L
L
N
P
L
A
P
E
---------------
K
A
A
L
R
T
H
L
----------
F
P
------
G
L
V
R
V
L
K
E
N
L
D
L
D
R
P
E
R
A
-------
L
L
F
E
V
G
R
V
F
R
E
R
----
E
E
T
H
L
A
G
L
----
L
F
G
E
G
-
V
G
L
P
W
A
--
K
E
R
L
S
G
Y
F
L
L
K
G
Y
L
E
A
L
F
A
R
L
G
L
A
F
R
V
E
A
Q
A
F
P
F
L
H
P
G
V
S
---
G
R
V
L
V
E
G
E
E
V
G
F
L
G
A
L
H
P
-
E
----
I
A
Q
E
L
E
----------
L
----------
P
P
V
H
L
F
E
---------
L
R
L
P
L
P
D
K
P
L
A
F
Q
D
--
P
-
S
R
H
P
A
A
F
R
D
L
A
V
--
V
V
P
A
P
T
P
Y
G
E
V
E
A
-------------
L
V
R
E
A
A
-----------------------------
G
P
Y
L
E
S
L
A
L
F
-
D
L
Y
Q
G
P
P
L
P
E
-
G
H
K
S
L
A
F
H
L
R
F
R
H
P
K
R
T
--------
L
R
D
E
E
V
E
E
A
V
S
R
V
A
E
A
L
R
A
R
G
F
G
L
R
G
L
D
T
P
-----------------------
62
Fugue
47.88
16%
-7
- C9 -
4NFU
3
EDS1L_ARATH
A:
[15-633]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
F
E
A
L
-
T
G
IN
G
D
L
I
T
R
S
----
W
S
A
S
K
Q
A
Y
L
T
E
R
Y
H
K
E
-
E
A
G
A
V
-----------
V
I
F
A
F
Q
-
P
S
F
S
------
E
K
--
D
F
F
D
P
D
N
K
S
S
F
G
E
I
K
L
N
R
V
Q
F
P
CMRKIGKG
D
V
A
T
--------------
V
N
E
A
F
L
K
--
N
-----
L
E
A
V
I
------
D
P
R
T
S
F
Q
--
A
S
V
E
M
A
V
R
S
R
K
Q
I
V
F
T
GH
S
S
-
G
G
A
T
A
I
L
A
T
V
W
Y
L
E
K
Y
F
I
R
N
P
N
V
Y
L
E
P
----------
R
C
V
T
F
G
A
P
L
V
G
D
S
I
F
S
H
A
L
G
R
E
KWSR
F
F
V
N
F
V
T
R
F
D
---
I
V
P
R
I
T
LAR
K
A
S
V
E
E
T
L
P
H
V
L
A
Q
L
DP
R
N
S
S
V
Q
E
S
E
Q
R
I
-
T
E
F
Y
T
S
V
M
R
D
T
S
T
V
A
N
Q
A
V
C
E
L
T
G
S
A
E
A
I
L
E
-
T
L
S
S
F
L
E
L
S
P
Y
R
P
A
G
-
T
F
V
F
S
T
E
K
R
L
V
A
V
---
N
N
S
D
A
I
L
Q
M
L
F
Y
T
C
Q
A
SDEQEW
S
L
I
P
---
F
R
S
I
R
D
H
H
S
Y
E
E
L
V
Q
S
M
G
M
K
L
F
N
H
L
D
G
E
N
S
I
E
S
S
L
N
D
L
G
V
-----
S
T
R
G
R
Q
Y
V
Q
A
A
L
E
E
E
K
K
R
V
E
N
Q
K
-
K
I
I
Q
V
I
Q
Q
E
---
R
F
L
K
K
L
-
A
------------
W
I
E
D
E
----
Y
K
P
K
C
Q
A
H
K
N
G
Y
Y
D
S
F
---------------
K
V
S
N
E
E
N
D
F
K
A
N
V
K
-
R
A
E
L
A
------
G
V
F
D
E
V
L
G
L
L
K
K
C
Q
L
P
D
E
-------
F
E
G
D
I
D
W
I
K
L
-
A
----
T
R
Y
R
R
L
V
E
----
P
L
D
I
A
-
N
Y
H
R
H
---
L
K
N
E
D
T
G
P
Y
M
K
R
G
R
P
T
R
Y
I
Y
A
Q
R
G
Y
E
H
H
I
L
K
P
N
G
M
I
A
E
D
V
---
F
W
N
K
V
N
G
L
N
L
G
L
Q
L
E
E
I
Q
-
E
T
L
KN
S
G
S
E
C
G
S
C
F
W
A
-
E
V
-
E
E
L
KGKPYEEV
E
V
R
V
K
T
L
E
---------
G
M
L
R
E
W
I
T
A
G
E
V
D
E
KE
I
-
F
L
E
G
S
T
F
R
K
W
W
I
T
L
P
K
N
H
K
S
H
S
-
P
L
R
D
-------------
Y
M
M
D
E
I
---------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
46.06
37%
92
- C8 -
2ARX
4
?
B:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
HIGID
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
45.76
37%
88
- C8 -
1S1A
2
?
B:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
HIGID
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
45.17
37%
86
- C8 -
2AR6
3
?
B:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
HIGID
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
45.00
37%
82
- C8 -
2AR6
3
?
A:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
H
I
G
I
D
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
44.98
37%
86
- C8 -
1S1A
3
?
A:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
H
I
G
I
D
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
44.82
37%
90
- C8 -
1N3Q
3
?
A:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
H
I
G
I
D
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
44.72
37%
84
- C8 -
2ARX
3
?
A:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
H
I
G
I
D
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
44.56
37%
89
- C8 -
2ARB
3
?
A:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
H
I
G
I
D
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
44.54
37%
88
- C8 -
2ARB
3
?
B:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
HIGID
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
44.53
37%
84
- C8 -
1N3O
3
?
B:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
HIGID
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
44.48
37%
83
- C8 -
2ARE
3
?
B:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
HIGID
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
44.46
37%
87
- C8 -
2ARE
3
?
A:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
H
I
G
I
D
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
44.28
37%
86
- C8 -
1N3Q
3
?
B:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
HIGID
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
44.22
37%
86
- C8 -
1N3P
3
?
B:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
HIGID
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
44.16
37%
86
- C8 -
1N3O
3
?
A:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
H
I
G
I
D
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
44.11
37%
88
- C8 -
1N3P
3
?
A:
[118-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
----
T
S
A
N
Q
V
I
----
A
V
E
F
D
-
T
F
Y
A
Q
-----------
D
S
N
T
W
D
-
P
N
Y
P
H
I
G
I
D
V
N
S
IR
S
V
K
T
V
K
W
D
R
R
D
G
Q
S
L
N
V
L
V
T
F
N
----------
P
S
--------------
T
R
N
L
D
V
V
--
A
-----
T
Y
S
D
G
T
R
Y
E
V
S
Y
E
V
D
V
R
S
--
V
L
P
E
W
V
R
V
G
F
S
A
A
S
G
----
E
-
Q
Y
Q
T
H
T
L
E
S
W
S
F
T
S
T
L
L
Y
T
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------