@TOME V2.2
(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 : S39AA_HUMAN: (2015-12-10 )
MKVHMHTKFCLICLLTFIFHHCNHCHEEHDHGPEALHRQHRGMTELEPSKFSKQAAENEKKYYIEKLFERYGENGRLSFFGLEKLLTNLGLGERKVVEINHEDLGHDHVSHLDILAVQEGKHFHSHNHQHSHNHLNSENQTVTSVSTKRNHKCDPEKETVEVSVKSDDKHMHDHNHRLRHHHRLHHHLDHNNTHHFHNDSITPSERGEPSNEPSTETNKTQEQSDVKLPKGKRKKKGRKSNENSEVITPGFPPNHDQGEQYEHNRVHKPDRVHNPGHSHVHLPERNGHDPGRGHQDLDPDNEGELRHTRKREAPHVKNNAIISLRKDLNEDDHHHECLNVTQLLKYYGHGANSPISTDLFTYLCPALLYQIDSRLCIEHFDKLLVEDINKDKNLVPEDEANIGASAWICGIISITVISLLSLLGVILVPIINQGCFKFLLTFLVALAVGTMSGDALLHLLPHSQGGHDHSHQHAHGHGHSHGHESNKFLEEYDAVLKGLVALGGIYLLFIIEHCIRMFKHYKQQRGKQKWFMKQNTEESTIGRKLSDHKLNNTPDSDWLQLKPLAGTDDSVVSEDRLNETELTDLEGQQESPPKNYLCIEEEKIIDHSHSDGLHTIHEHDLHAAAHNHHGENKTVLRKHNHQWHHKHSHHSHGPCHSGSDLKETGIANIAWMVIMGDGIHNFSDGLAIGAAFSAGLTGGISTSIAVFCHELPHELGDFAVLLKAGMTVKQAIVYNLLSAMMAYIGMLIGTAVGQYANNITLWIFAVTAGMFLYVALVDMLPEMLHGDGDNEEHGFCPVGQFILQNLGLLFGFAIMLVIALYEDKIVFDIQF
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---------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------M
K
V
H
M
H
T
K
F
C
L
I
C
L
----------
L
T
F
I
F
H
H
C
N
H
C
H
E
EHDH
G
P
E
A
L
H
R
Q
HR----GMTEL
E
P
---
S
K
F
S
K
Q
A
AEN
E
K
K
Y
Y
I
E
K
L
F
E
R
Y----G---E--NGR
L
S
F
F
G
L
E
K
L
L
T
NLGLG
E
R
K
V
V
E
INHEDLGH
D
H
V
SH
L
D
I
L
A
VQEGKHFHSHNHQHSHNHLNSEN
Q
T
V
T
S
VSTK---RNHKCDPEK
E
T
V
E
V
S
VKSDDKHMHDH--
N
H
R
L
R
H
H
----
H
R
L
H
H
HLDHNNTHHFHND-SITPSERGE---------PSNEPSTETNKTQEQSDVKLPKGKRKKKGRKS----NENS
E
V
ITPGFPPN-------------------------HDQGEQYEHNRV----------HKPDRVHNPGHS
H
V
HLPERNGHDPGRGHQDLDPDNE
G
E
L
R
H
TRKREAPHVKN
N
A
I
I
S
L
R
K
DLNED--D
H
H
H
E
C
--------
L
N
V
T
Q
L
L
K
Y
YGHGANSPI-----
S
-----
T
D
L
F
T
---
Y
L
C
P
A
L
L
Y
--
Q
I
---
D
S
R
L
C
I
E
H
F
D
K
L
L
V
E
D
INKDKNLVPEDEANIG
A
S
A
W
I
C
G
I
I
S
I
T
V
I
S
L
L
S
L
L
G
----------
V
I
L
V
P
I
I-------NQ
G
C
F
K
F
L
L
T
F
L
V
A
L
A
V
GTMS
G
D
A
L
L
HLLPHSQGGHDHSHQHAHGHGHSHGH
E
S
N
K
F
L
E
E
Y
D
A
V
L
K
G
L
-------
V
A
L
G
G
I
Y
L
L
F
I
I
---------------------------
E
H
C
I
R
M
F
K
H
Y
K
Q
Q-------------------RGKQK
W
F
M
------------KQNTE
E
S
T
IGRKLSDHKLNNTPDSD------
W
L
Q
---LKPLA----GTDDSVVSEDRLNETELTDLEGQQESPPKN
Y
L
C
----------------
I
E
E
E
K
IIDHSHSDGL
H
T
I
H
E
H
D
L
H
A
A
AHNH-----------HGEN
K
T
V
L
R
KHNHQWHHKHSHHSH--GPCHSGS
D
L
K
ETGIA
N
I
A
W
M
V
I
MGDGIH-NFSDGL
A
I
G
A
A
F
S
AGL-TGGI
S
T
S
I
A
V
F
C
H
E
L
------------------
P
H
E
L
G
D
F
A
V
L
L
KAG
M
T
V
--------------
K
Q
A
I
V
Y
N
L
L
S
A
M
M
A
Y
I
G
----
M
L
I
G
T
A
V
G
Q
YAN
N
I
------------------
T
L
W
------------------
I
F
A
V
T
A
G
M
F
L
Y
V
A
L
V
D
M
L
-----
P
E
M
LHGDGDNEEHGFC
P
V
G
Q
F
I
L
Q
N
L
G
L
L
F
G
F
A
I
M
L
V
I
A
LY--------E
D
K
I
V
F
D
IQF----------------------------------------------------------------------------------------
30
Fugue
82.13
15%
-40
- C5 -
4MT1
-
?
A:
[2-1040]
A
K
F
F
I
D
R
P
I
F
A
W
V
I
S
I
F
I
I
A
A
G
I
F
G
I
K
S
L
PVSQYPSVA
A
P
T
I
T
L
H
A
I
Y
P
G
A
S
A
Q
V
M
E
G
S
V
L
S
V
I
E
R
----
N
M
N
G
V
E
G
---
L
D
Y
M
S
T
S
A
D
S
S
G
S
G
S
V
S
L
T
F
T
P
-----
D
---
T
--
D
E
N
L
A
Q
V
E
V
Q
N
K
L
S
E
V
L
S
T
L
P
A
T
V
Q
Q
Y
G
V
T
V
S
K
A
R
S
N
F
L
M
I
V
M
L
S
S
D
V
Q
S
T
E
E
M
N
D
Y
A
Q
R
N
V
V
P
E
L
Q
R
I
E
G
V
G
Q
V
---
R
L
F
G
---
A
Q
R
A
M
R
I
W
V
--
D
P
K
K
L
Q
N
Y
--
N
L
S
---
F
----
A
D
V
G
S
A
L
S
A
Q
N
I
Q
-
I
S
A
G
-
S
I
G
S
L
P
A
V
R
---------
G
Q
T
V
T
A
T
V
T
A
Q
G
Q
L
G
T
A
E
E
F
G
N
V
I
L
R
A
N
T
D
G
S
----
N
I
Y
L
K
D
V
A
K
V
G
L
G
M
-------------------------
E
D
Y
S
S
S
T
R
L
N
G
V
N
T
T
G
M
A
V
M
L
S
N
S
G
N
A
M
A
T
A
K
A
V
K
E
R
L
A
V
L
E
K
Y
F
P
-
Q
G
M
S
W
K
T
P
Y
D
T
S
K
F
V
E
I
S
I
E
K
V
I
H
T
L
I
E
A
M
V
L
V
F
V
V
M
Y
L
F
L
-
Q
N
I
R
Y
T
--------
L
I
P
T
I
V
V
P
I
S
L
L
G
G
F
A
F
I
-----
S
Y
M
GMS
I
N
V
L
T
---
M
F
A
M
I
L
V
I
--
G
I
VV
D
D
A
I
V
V
V
E
N
V
E
R
I
M
A
G
E
G
L
P
P
K
E
A
T
K
K
A
M
G
Q
I
S
G
A
V
I
G
I
T
A
V
L
I
S
V
F
V
P
L
A
M
F
S
----------
G
A
A
G
N
I
Y
-------
K
Q
----
F
A
L
T
M
A
S
S
I
A
F
S
A
F
L
A
L
T
L
T
P
A
L
C
A
T
-
G
F
F
G
W
F
N
K
K
F
D
S
W
T
H
G
Y
E
G
R
V
A
K
V
L
R
K
T
F
R
M
M
V
V
Y
-------
I
G
L
A
V
V
G
V
F
L
F
M
R
L
P
T
S
F
L
PTEDQG
F
V
M
V
S
V
Q
L
P
A
GAT
K
E
R
T
D
A
T
L
A
Q
V
T
Q
L
A
K
S
IPEIE
N
I
I
T
V
S
GFSFS
G
S
G
Q
N
M
A
M
G
F
AIFKDWNERT
A
S
G
S
D
A
V
A
V
A
G
K
L
T
G
M
M
M
G
T
L
K
D
G
F
------
G
I
A
---
V
V
P
P
P
ILEL
G
S
G
L
S
I
N
L
Q
D
R
-
N
N
T
G
H
T
A
L
L
A
K
R
N
E
L
I
Q
K
M
R
A
SGLFDPST
V
R
A
G
G
L
E
D
S
P
Q
L
K
I
D
I
N
R
A
A
A
A
A
Q
G
I
S
F
A
D
I
R
T
A
L
A
S
A
LS
S
S
Y
V
S
D
F
P
N
Q
G
R
L
Q
R
V
M
V
Q
A
D
E
D
A
R
M
Q
P
A
D
I
L
N
LT
V
P
N
K
S
G
V
A
V
P
L
S
T
I
A
T
V
S
W
E
N
G
T
E
Q
S
V
R
F
N
G
Y
P
S
M
K
L
S
A
S
P
A
T
G
V
S
T
G
Q
A
M
E
A
V
Q
K
M
V
D
E
L
GGG
Y
S
F
E
W
G
G
Q
S
S
E
E
A
K
G
G
S
Q
T
L
I
L
Y
G
L
A
V
A
A
V
F
L
--------------
V
L
A
A
L
Y
E
S
W
S
I
P
L
A
V
I
L
V
I
P
L
G
L
I
G
A
A
A
G
V
T
G
R
N
L
F
E
G
L
LGSVPSFAND
I
Y
F
Q
V
G
F
------------------
V
T
V
M
G
L
S
A
K
N
A
I
L
I
I
E
F
A
-----
K
D
L
Q
A
-
Q
G
K
S
A
V
E
A
A
L
E
A
A
R
L
R
F
R
P
I
I
M
T
S
F
A
F
I
L
G
V
V
P
L
Y
IAAGAS
S
A
S
Q
R
A
I
G
T
T
V
F
W
G
M
L
V
G
T
L
L
S
V
F
L
V
P
L
F
Y
V
V
V
R
K
F
F---------------------------------------------------------------
39
Fugue
71.74
11%
-22
- C1 -
3AYF
8
?
A:
[17-777]
------------TTN
S
F
L
K
S
I
L
I
F
T
I
L
I
S
----------
S
T
V
L
L
V
G
G
Y
W
I
F
K
E
M
A
P
R
P
K
E
V
R
S
E
S
G
----------
E
---
V
L
M
T
K
E
T
I
I
G
G
Q
A
V
F
Q
K
Y
G
L
M
D
Y
----
G
----------
T
V
L
G
H
G
S
Y
M
G
P
--------------
D
Y
T
A
E
A
L
K
V
Y
T
E
G
M
Q
D
Y
K
A
K
A
D
L
T
D
D
E
K
S
I
I
R
E
Q
V
I
K
E
M
----------
R
K
N
R
Y
N
P
V
T
D
V
L
V
L
T
-------
D
A
Q
V
--
Y
G
L
E
K
V
R
----
D
Y
Y
R
D
V
F
T
N
G
D
G
W
G
L
K
K
G
-
L
I
K
E
S
D
M
P
K
---------
A
N
R
A
W
V
A
D
S
D
Q
I
Q
Q
I
A
D
F
F
F
W
T
A
W
L
S
S
T
L
R
I
G
----
D
E
I
T
--
Y
T
N
N
W
P
Y
Y
-------------------------
E
D
A
G
----------------------------------------------
N
T
M
S
F
S
A
V
W
W
S
G
A
S
V
T
I
L
I
L
F
I
G
I
I
L
Y
V
F
Y
R
Y
Q
L
S
M
Q
--
E
A
Y
A
E
G
--------
K
F
P
V
I
D
L
R
R
Q
P
L
T
P
S
Q
V
K
-----
A
-----
G
K
Y
F
V
---
V
V
S
A
L
F
F
V
--
Q
T
---
M
F
G
A
L
L
A
H
Y
--
Y
T
E
P
D
S
F
F
G
I
N
W
I
Y
D
I
L
P
F
N
I
A
K
G
Y
H
L
Q
L
A
I
F
W
I
A
T
A
W
L
G
M
G
----------
I
F
I
A
P
L
V
GGQEPKK
Q
G
L
L
V
D
L
L
F
W
A
L
V
V
L
V
G
G
S
M
I
G
Q
W
L
G
V
N
G
Y
L
G
N
E
W
F
L
L
G
H
Q
---------
G
W
E
----
Y
I
E
L
G
R
I
W
Q
I
I
-------
L
V
V
G
M
L
L
W
L
F
I
V
---------------------------
F
R
G
V
K
R
G
L
K
R
E
S
D
-------------------
K
G
G
L
I
H
L
L
------------
F
Y
S
A
I
A
V
P
F
F
Y
I
F
A
F
F
I
Q
P
D
T
N
F
T
M
A
D
F
W
R
W
W
I
I
HLW
V
E
G
I
F
----
E
V
F
A
V
V
V
I
G
F
L
L
V
Q
L
R
L
V
T
K
K
S
T
V
R
A
L
Y
F
Q
F
T
I
----------------
L
L
G
S
G
V
I
G
I
G
H
H
Y
Y
Y
N
G
S
P
E
V
W
I
A
L
G
A
V
F
S
-----------
A
L
E
-
V
I
P
L
T
L
L
I
L
E
A
Y
E
Q
Y
K
M
M
R
D
--
G
G
A
N
F
P
Y
K
A
T
F
W
F
L
I
S
T
A
I
W
N
L
V
G
A
G
V
F
-
G
F
L
I
N
L
P
A
V
S
Y
F
E
H
G
Q
-
F
L
T
P
A
H
G
H
A
A
M
M
G
V
Y
------------------
G
M
F
A
I
A
V
L
L
Y
S
L
R
N
I
V
K
--------------
P
E
A
W
N
D
K
W
L
K
F
S
C
W
M
L
N
----
I
G
L
A
G
M
V
V
I
T
L
L
P
V
------------------
G
I
L
------------------
Q
M
K
E
A
F
I
H
G
Y
W
A
S
R
S
--------
P
S
F
L
Q
Q
D
V
V
Q
N
L
L
L
V
R
A
V
P
D
T
I
F
L
I
G
V
V
A
L
L
V
F
A
I
K
A
L
F
H
L
--------
R
K
P
T
H
G
E
G
E
E
----------------------------------------------------------------------------------------
36
Fugue
58.28
9%
-20
- C5 -
1IWG
-
ACRB_ECOLI
A:
[7-1036]
--------------D
R
P
I
F
A
W
V
I
A
I
I
I
M
L
----------
A
G
G
L
A
I
L
K
L
P
V
A
Q
Y
P
T
I
A
P
P
A
V
T
I
S
A
S
Y
P
GA
D
A
K
T
V
Q
D
TVT
Q
V
I
E
Q
N
M
N
G
I
D
N
L
M
Y
M
S
S
N
S
D
S
T
----
G
---
T
--
V
Q
I
T
L
T
F
E
S
G
T
D
A
D
I
A
Q
V
Q
V
Q
N
K
L
Q
L
A
M
P
L
L
-
P
Q
E
V
Q
Q
Q
G
V
S
V
E
K
S
S
S
S
F
L
M
V
V
G
V
I
N
T
D
G
T
M
T
Q
E
D
I
S
D
Y
V
A
A
N
---
M
K
D
A
I
S
R
T
S
G
V
G
D
V
Q
L
F
G
S
Q
Y
A
M
R
I
W
M
N
P
N
E
L
N
K
F
QLT
P
V
D
V
I
T
A
I
K
A
Q
N
A
Q
V
A
A
G
Q
L
G
G
T
P
P
V
K
G
Q
---------
Q
L
N
A
S
I
I
A
Q
T
R
L
T
S
T
E
E
F
G
K
I
L
L
K
V
N
Q
D
G
S
R
V
----
L
L
R
D
V
A
K
I
E
L
G
G
E
N
-------------------------
Y
D
I
I
A
E
F
N
G
Q
P
A
----------
S
G
L
G
I
K
L
A
T
G
A
N
A
L
D
T
A
A
A
I
R
A
E
L
A
K
M
E
P
F
F
P
S
G
L
K
I
V
Y
P
Y
D
T
T
P
F
V
K
I
S
I
H
E
V
V
K
T
L
V
E
A
I
I
L
V
--
F
L
V
M
Y
L
F
L
QN
F
R
A
T
L
I
P
T
I
A
V
P
V
V
L
L
G
T
F
A
V
L
A
A
F
GF
S
-----
I
N
T
L
T
---
M
F
G
M
V
L
A
I
--
G
L
L
V
D
D
A
I
V
V
V
E
N
V
E
R
V
M
A
E
E
G
L
P
P
K
E
A
T
R
K
S
M
G
Q
I
Q
G
A
L
V
G
I
A
M
V
L
S
A
V
F
V
P
M
A
F
F
G
GSTGAI
Y
R
Q
F
S
I
T
I
V
S
A
-------
M
A
L
S
V
L
V
A
L
I
L
T
P
A
L
C
A
T
M
L
K
F
G
W
F
N
R
M
F
E
K
S
T
H
H
Y
T
D
S
V
G
G
I
L
R
S
T
G
R
Y
L
V
L
Y
L
I
I
V
V
G
M
A
Y
L
F
V
R
L
P
S
S
F
L
P
D
E
D
Q
G
V
F
M
T
M
V
Q
L
---------------------------
P
A
G
A
T
Q
E
R
T
Q
K
V
L
-------------------
N
E
V
T
H
Y
Y
L
------------
T
K
E
K
N
N
V
E
S
V
F
A
V
N
G
F
G
F
A
G
R
G
Q
N
T
------
G
I
A
---
F
V
S
L
K
----
D
W
A
D
R
P
G
E
E
N
K
V
E
A
I
-
T
M
R
A
T
R
A
F
S
Q
I
K
D
A
M
V
F
----------------
A
F
N
L
P
A
I
V
E
L
G
T
A
T
G
F
D
F
E
L
I
D
Q
A
G
L
G
H
E
K
-----------
L
T
Q
A
R
N
Q
L
L
A
E
A
A
K
H
P
M
L
T
S
V
R
P
N
--
G
L
E
D
T
P
Q
F
K
I
D
I
D
Q
E
K
A
Q
A
L
G
V
S
I
N
D
I
N
-
T
T
L
G
A
A
W
G
G
S
Y
V
N
D
F
I
-
D
R
G
R
V
K
K
V
Y
V
M
S
E
A
K
YRML--------------
P
D
D
I
G
D
W
Y
V
R
A
A
D
G
Q
M
V
P
FSAF
S
S
S
R
W
E
Y
G
S
P
R
L
E
R
Y
N
G
L
P
S
M
E
I
L
G
Q
----
A
A
P
G
K
S
T
G
E
A
M
E
L
M
------------------
E
Q
L
A
SKLPTG
V
G
Y
D
WSGNQ
A
P
S
L
Y
A
I
S
L
I
V
V
F
L
C
L
A
A
L
Y
ESWSI
P
F
S
V
M
L
V
V
P
L
G
V
I
G
A
L
L
A
A
T
F
R
G
L
T
N
D
V
Y
F
Q
V
G
L
L
T
T
I
G
L
S
--------
A
K
N
A
I
L
I
V
E
F
A
K
D
L
M
DKEGKGL
I
E
A
T
L
D
A
V
R
M
R
L
R
P
I
L
M
T
S
L
A
F
I
L
G
V
M
P
L
V
ISTGAGSG
A
Q
N
A
V
G
T
G
V
M
G
G
M
V
T
A
TVLAIFFVPV
F
F
V
V
V
RRRFSRK
33
Fugue
34.77
14%
34
- C5 -
3WPA
-
?
A:
[65-410]
-----------------------------------------------------------------------------------------------------------------------------------------------
N
V
A
Q
G
N
Q
T
N
V
G
D
A
L
T
A
L
D
N
A
I
N
T
A
A
T
T
S
K
S
T
V
S
N
G
Q
N
I
V
V
S
K
S
K
N
A
DG
S
D
N
Y
E
V
S
T
A
K
D
L
T
V
D
S
V
K
A
G
D
T
V
L
N
N
A
--
G
I
T
I
G
N
N
----
A
---
V
V
L
N
N
T
G
L
T
I
S
G
G
P
-
S
V
T
L
A
G
I
D
A
GN
K
T
I
Q
NVA
N
A
V
N
A
T
D
A
V
N
K
G
Q
L
D
S
A
I
N
N
V
N
N
N
V
N
E
L
A
N
N
A
VKYD
D
A
S
K
D
K
I
T
L
G
G
G
A
T
G
T
T
I
T
NVKDGTVAQGSK
D
A
V
N
G
G
Q
L
W
N
V
Q
Q
Q
V
D
Q
N
T
T
----------
D
I
S
N
I
K
N
D
I
N
N
G
T
V
G
L
V
Q
Q
A
G
K
D
A
P
---
V
T
V
A
K
D
T
G
G
T
T
V
N
V
A
G
T
D
G
N
R
V
V
T
G
V
K
E
G
A
V
N
A
T
S
K
D
A
V
N
G
S
Q
L
N
--------
T
T
N
Q
A
V
V
N
Y
L
G
G
G
A
G
Y
D
N
-----
I
-----
T
G
S
F
T
A
P
S
Y
T
V
G
D
S
K
Y
NN
V
G
---
G
A
I
D
A
L
N
Q
A
D
Q
A
L
N
S
K
I
D
N
V
S
N
K
L
D
N
A
F
R
I
T
N
N
R
I
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
HHSearch
34.56
21%
101
- C6 -
3I5G
-
MLE_TODPA
C:
[6-43]
------------------------------------------------------------------------------------------
D
E
I
E
E
V
R
E
V
F
D
L
F
D
F
W
D
G
---
R
--
D
G
D
V
D
A
A
K
V
G
D
L
L
R
C
L
G
M
N
P
T
E
A
Q
V
H
Q
H
G
G
T
K
K
M
G
E
K
A
Y
K
L
E
E
I
L
P
I
Y
E
E
M
S
S
K
D
T
G
T
A
A
D
E
F
M
E
A
F
K
T
F
D
R
E
G
Q
---
G
L
I
S
S
A
E
I
R
N
V
L
K
M
L
G
E
R
I
T
E
D
Q
C
N
D
--
I
F
T
F
C
D
I
----
R
E
D
I
D
G
N
I
K
Y
E
D
L
M
K
K
V
M
-
A
G
P
F
P
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
33.26
15%
148
- C6 -
1W7J
-
B:
[11-41]
----------------------------------------------------------------------------------------------
E
F
K
E
A
F
E
L
F
----
D
RV-
G
--
D
G
K
I
L
Y
S
Q
C
G
D
V
M
R
A
L
G
Q
N
P
T
N
A
E
V
L
K
V
L
G
N
P
K
S
D
E
L
K
S
R
R
V
D
F
E
T
F
L
P
M
L
Q
A
V
A
K
D
Y
L
E
G
F
R
V
F
D
K
E
G
N
G
K
V
M
G
---
A
E
L
R
H
V
L
T
T
L
G
E
K
M
T
E
E
E
V
E
T
V
L
A
G
H
--
E
D
S
N
G
C
I
----
N
Y
E
A
F
L
K
H
I
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
HHSearch
31.95
24%
108
- C6 -
1WDC
-
MLE_ARGIR
C:
[5-42]
-----------------------------------------------------------------------------------------
Q
D
E
I
D
D
L
K
D
V
F
E
L
F
D
F
W
D
G
---
R
--
D
G
A
V
D
A
F
K
L
G
D
V
C
R
C
L
G
I
N
P
R
N
E
D
V
F
A
V
G
G
T
H
K
M
G
E
K
S
L
P
F
E
E
F
L
P
A
Y
E
G
L
M
D
C
E
Q
G
T
F
A
D
Y
M
E
A
F
K
T
F
D
R
E
G
Q
G
---
F
I
S
G
A
E
L
R
H
V
L
T
A
L
G
E
R
L
S
D
E
D
V
D
E
I
--
I
K
L
T
D
L
Q
----
E
D
L
E
G
N
V
K
Y
E
D
F
V
K
K
V
M
A
-
G
P
Y
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
HHSearch
31.89
19%
121
- C6 -
1GGW
-
MLR4_SCHPO
A:
[5-37]
--------------------------------------------------------------------------------------------
D
S
P
Y
K
Q
A
F
S
L
F
----
D
RH-
G
--
T
G
R
I
P
K
T
S
I
G
D
L
L
R
A
C
G
Q
N
P
T
L
A
E
I
T
E
I
E
S
T
L
P
A
E
V
D
M
E
Q
F
L
Q
V
L
N
R
P
N
G
F
D
M
P
G
D
P
E
E
F
V
K
G
F
Q
V
F
D
K
D
A
T
G
M
I
---
G
V
G
E
L
R
Y
V
L
T
S
L
G
E
K
L
S
N
E
E
M
D
E
L
L
K
--
G
V
P
V
K
D
G
----
M
V
N
Y
H
D
F
V
Q
M
I
L
A
N
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
30.58
24%
111
- C6 -
2OBH
-
CETN2_HUMAN
A:
[3-38]
------------------------------------------------------------------------------------------
E
Q
K
Q
E
I
R
E
A
F
D
L
F
----
D
---
A
DG
T
G
T
I
D
V
K
E
L
K
V
A
M
R
A
L
G
F
E
P
K
K
E
E
I
K
K
M
I
S
E
I
D
K
E
G
T
G
K
M
N
F
G
D
F
L
T
V
M
T
Q
K
M
S
E
K
D
T
K
E
E
I
L
K
A
F
K
L
F
D
D
D
E
T
G
---
K
I
S
F
K
N
L
K
R
V
A
K
E
L
G
E
N
L
T
D
E
E
L
Q
E
M
--
I
D
E
A
D
R
D
----
G
D
G
E
V
S
E
Q
E
F
L
R
I
M
K
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
HHSearch
30.36
24%
125
- C6 -
3BQ3
-
DCN1_YEAST
A:
[72-104]
-------------------------------------------------------------------------------------------
Y
P
K
E
L
T
Q
V
F
E
H
Y
----
I
---
N
--
N
N
L
F
D
I
D
S
L
V
K
F
I
E
E
L
G
Y
N
L
E
D
L
A
T
L
C
L
A
H
L
L
G
Y
K
K
L
E
E
P
L
K
R
E
D
F
L
S
T
W
F
M
Q
G
C
S
T
I
S
D
M
Q
E
C
I
K
T
L
D
V
K
L
H
E
D
---
L
Q
Y
F
T
Q
I
Y
N
Y
A
F
N
L
I
L
D
P
N
R
K
D
I
D
T
D
--
E
G
I
Q
Y
W
K
----
L
F
F
Q
P
E
Y
P
V
R
M
E
P
D
L
L
E
A
-
W
F
R
F
L
R
D
E
G
---------
K
T
T
I
S
K
D
T
W
R
M
L
L
L
F
F
K
R
Y
P
T
I
Q
K
I
I
S
D
Y
D
E
T
----
A
A
W
P
F
I
I
D
E
F
Y
E
C
L
-------------------------
Q
D
Q
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
Fugue
29.30
8%
84
- C2 -
2KRG
-
NHRF1_HUMAN
A:
[143-358]
--------------------------------------------------------------------------------------------------------------------------------------------
G
I
D
P
F
T
M
L
R
P
R
L
C
T
M
K
K
G
P
S
G
Y
G
F
N
L
H
S
D
K
S
K
P
G
Q
F
I
R
S
V
D
P
D
S
P
A
E
A
S
---
G
L
R
A
Q
D
R
I
V
E
V
N
G
V
C
M
E
G
K
Q
H
G
D
V
V
S
--
A
I
R
A
G
G
D
----
E
T
K
L
L
V
V
D
R
E
T
D
E
F
F
K
K
C
-
R
V
I
P
S
Q
E
H
L
---------
N
G
P
L
P
V
P
F
T
N
G
E
I
Q
K
E
N
S
R
E
A
L
A
E
A
A
L
E
S
P
R
P
----
A
L
V
R
S
--
A
S
S
D
T
S
E
-------------------------
E
L
N
S
Q
D
S
P
P
K
Q
D
----------
S
T
A
P
S
S
T
S
S
S
D
P
I
L
D
F
N
I
S
L
A
M
A
K
E
R
A
H
Q
K
R
S
S
K
R
A
P
Q
M
D
W
S
K
K
N
E
L
F
S
N
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
HHSearch
29.21
26%
148
- C6 -
3KEV
-
?
A:
[7-39]
---------------------------------------------------------------------------------------------
K
A
I
L
E
L
F
Q
T
Y
----
K
---
E
PL
G
N
Y
I
G
A
E
G
L
Q
R
L
F
E
D
I
Q
V
D
P
S
D
V
V
T
L
V
L
A
W
K
L
K
A
S
S
T
C
E
F
S
E
K
E
F
V
E
G
L
A
N
L
Q
V
D
S
L
E
K
L
K
R
K
L
S
S
L
R
K
E
I
E
D
P
S
---
K
F
R
A
F
Y
Q
F
V
F
Q
Y
S
K
E
P
S
Q
R
S
L
P
A
E
T
A
--
M
A
L
W
D
V
L
----
L
R
G
R
F
S
L
L
D
S
W
L
E
F
L
K
N
N
-
T
H
S
I
S
R
D
T
W
---------
N
L
L
Y
D
F
S
Q
L
K
D
L
S
D
Y
D
A
W
P
V
L
I
D
D
F
V
K
W
L
K
H
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
HHSearch
28.71
27%
146
* C6 *
1DTL
3
TNNC1_CHICK
A:
[12-51]
---------------------------------------------------------------------------------------
L
T
E
E
Q
K
N
E
F
K
A
A
F
D
I
F
V
LG-
A
---
E
--
D
G
S
I
S
T
K
E
L
G
K
V
M
R
M
L
G
Q
N
P
T
P
E
E
L
Q
E
M
I
D
E
V
D
E
D
G
S
G
T
V
D
F
D
E
F
L
V
M
M
V
R
S
M
K
K
S
E
E
E
L
S
D
L
F
R
M
F
D
K
N
A
D
G
Y
I
---
D
L
E
E
L
K
I
M
L
Q
A
T
T
I
T
E
D
D
I
E
E
L
M
K
D
G
--
D
K
N
N
D
G
R
----
I
D
Y
D
E
F
L
E
F
M
K
G
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
27.25
21%
150
- C6 -
2BL0
-
?
C:
[3-38]
------------------------------------------------------------------------------------------
D
Q
V
S
E
F
K
E
A
F
E
L
F
----
D
---
S
ER
T
G
F
I
T
K
E
G
L
Q
T
V
L
K
Q
F
G
V
R
V
E
P
A
A
F
N
E
M
F
N
E
A
D
A
T
G
N
G
K
I
Q
F
P
E
F
L
S
M
M
G
R
R
M
K
Q
T
T
S
E
D
I
L
R
Q
A
F
R
T
F
D
P
E
G
T
G
---
Y
I
P
K
A
A
L
Q
D
A
L
L
N
L
G
D
R
L
K
P
H
E
F
A
E
F
--
L
G
I
T
E
T
E
----
K
G
Q
I
R
Y
D
N
F
I
N
T
M
F
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
HHSearch
27.12
23%
172
- C6 -
3TDU
1
CUL1_HUMAN (first)
A:
[4-37]
---------------------------------------------------------------------------------------------
K
K
L
E
Q
L
Y
N
R
Y
----
K
DPQ
D
--
E
N
K
I
G
I
D
G
I
Q
Q
F
C
D
D
L
A
L
D
P
A
S
I
S
V
L
I
I
A
W
K
F
R
A
A
T
Q
C
E
F
S
K
Q
E
F
M
D
G
M
T
E
L
G
C
D
S
I
E
K
L
K
A
Q
I
P
K
M
E
Q
E
L
K
E
P
G
---
R
F
K
D
F
Y
Q
F
T
F
N
F
A
K
N
P
G
Q
K
G
L
D
L
E
M
A
--
I
A
Y
W
N
L
V
----
L
N
G
R
F
K
F
L
D
L
W
N
K
F
L
L
E
H
-
H
K
R
S
I
P
K
D
T
---------
W
N
L
L
L
D
F
S
T
M
I
A
D
D
M
S
N
Y
D
E
E
G
A
W
P
V
L
I
D
D
F
V
----
E
F
A
R
P
Q
I
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
26.42
21%
189
- C6 -
2ZND
1
PDCD6_HUMAN
A:
[6-38]
--------------------------------------------------------------------------------------------
Q
S
F
L
W
N
V
F
Q
R
V
----
D
K
D-
R
--
S
G
V
I
S
D
T
E
L
Q
Q
A
L
S
N
G
T
W
T
P
F
N
P
V
T
V
R
S
I
I
S
M
F
D
R
E
N
K
A
G
V
N
F
S
E
F
T
G
V
W
K
Y
I
T
D
W
Q
N
V
F
R
T
Y
D
R
D
N
S
G
M
I
D
K
N
E
---
L
K
Q
A
L
S
G
F
G
Y
R
L
S
D
Q
F
H
D
I
L
I
R
K
F
D
R
--
Q
G
R
G
Q
I
A
----
F
D
D
F
I
Q
G
C
I
V
L
Q
R
L
T
D
I
F
-
R
R
Y
D
T
D
Q
D
G
---------
W
I
Q
V
S
Y
E
Q
Y
L
S
M
V
F
S
I
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
Fugue
22.73
18%
232
- C5 -
1Y66
6
?
A:
[3-52]
------------------------------------------------
Q
W
S
E
E
V
E
R
K
L
K
E
F
V
R
R
H
Q
----
E
I
T
Q
E
T
L
---
H
E
Y
A
Q
K
L
G
L
N
Q
Q
A
--
I
E
Q
F
F
R
E
F
----
E
---
Q
--
R
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
20.68
27%
236
- C6 -
2OPO
-
POLC3_CHEAL
A:
[7-41]
-----------------------------------------------------------------------------------------
P
Q
D
I
A
D
R
E
R
I
F
K
R
F
----
D
---
T
NG
D
G
K
I
S
S
S
E
L
G
D
A
L
K
T
L
G
S
V
T
P
D
E
V
R
R
M
M
A
E
I
D
T
D
G
D
G
F
I
S
F
D
E
F
T
D
F
A
R
A
N
R
G
L
V
K
D
V
S
K
I
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
18.07
48%
216
- C3 -
2E67
-
YDJC_THET8
A:
[3-29]
-----------------------------------------------------------------------------------------------------------------------------
L
L
E
R
L
G
L
G
G
R
R
V
L
I
L
H
H
D
D
L
G
L
T
H
A
Q
N
G
A
Y
Q
A
L
G
L
P
T
G
S
V
M
V
P
G
A
W
A
S
G
V
K
G
E
D
L
G
V
H
L
V
L
T
S
E
---
W
P
A
P
R
M
R
P
L
T
E
G
E
S
L
R
D
E
A
G
Y
F
P
E
S
L
--
E
A
L
W
R
K
A
----
R
A
E
E
V
E
R
E
L
K
A
Q
I
Q
A
A
A
K
-
L
F
S
P
T
H
L
D
A
---------
H
Q
G
A
V
L
R
P
D
L
A
E
V
Y
L
R
L
A
E
A
Y
R
L
V
P
L
V
P
E
S
L
E
----
G
L
G
V
P
P
P
F
L
P
E
L
E
R
-------------------------
L
L
Y
E
T
P
F
P
Q
V
R
F
----------
L
D
P
Y
G
L
P
P
E
E
R
L
G
F
Y
L
D
L
A
H
L
P
P
G
L
Y
Y
L
V
H
H
S
A
L
P
T
P
E
G
R
A
L
P
D
W
P
T
R
E
A
D
Y
F
A
L
S
H
P
E
V
R
R
V
L
A
--
E
F
H
P
L
T
--------
W
R
A
V
R
E
A
L
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
17.48
40%
191
- C4 -
3U75
-
?
A:
[116-150]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
D
H
N
N
T
S
G
F
F
N
S
-
S
I
D
P
N
Q
R
I
V
---------
A
I
Y
T
N
N
I
P
D
N
Q
T
Q
D
I
A
F
S
L
D
G
G
Y
T
F
T
K
Y
E
N
N
P
----
V
I
D
V
S
S
N
Q
F
R
D
P
K
V
-------------------------
F
W
H
E
D
S
N
Q
W
I
M
V
----------
V
S
K
S
Q
E
Y
K
I
Q
I
F
G
S
A
N
L
K
N
W
V
L
N
S
N
F
S
S
G
Y
Y
G
N
Q
Y
A
C
P
G
L
I
E
V
P
I
E
N
S
D
K
S
K
W
V
M
F
L
A
I
N
P
G
S
P
L
--
G
G
S
I
N
Q
--------
Y
F
V
G
D
F
D
G
F
Q
F
V
P
D
D
S
Q
T
-----
R
-----
F
V
D
I
G
---
K
D
F
Y
A
F
Q
T
--
F
S
---
E
V
E
H
G
V
L
G
L
A
W
A
S
N
W
Q
Y
A
D
Q
V
P
T
N
P
W
R
S
S
T
S
L
A
R
N
Y
T
L
R
Y
V
H
T
N
A
E
T
K
Q
L
T
L
I
----------
Q
N
P
V
L
P
D
-------
S
I
N
V
V
D
K
L
K
K
K
N
V
K
L
T
N
K
K
P
I
K
T
N
F
K
G
S
T
G
L
F
D
F
N
I
T
F
K
V
L
N
L
N
V
S
P
G
K
T
H
F
D
I
L
I
N
S
Q
E
L
N
S
S
V
D
S
I
-------
K
I
G
F
D
S
S
Q
S
S
F
Y
---------------------------
I
D
R
H
I
P
N
V
E
F
P
R
K
-------------------
Q
F
F
T
D
K
L
A
------------
A
Y
L
E
P
L
D
Y
D
Q
D
L
R
V
F
S
L
Y
G
I
V
D
K
N
I
------
I
E
L
---
Y
F
N
D
G
----
T
V
A
M
T
N
T
F
F
M
G
E
G
K
Y
P
H
D
I
Q
I
V
T
D
T
E
E
P
L
F
E
L
E
----------------
S
V
I
I
R
E
L
N
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------