Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVFNKLFKRRHSVSEEIKKDDLQEEVEATETEETVEEVIEEIPE-KSELELANERADEFENKYLRAHAEMQNIQRRSSEERQQLQRYRSQDLAKAILPSLDNLERALAVE-GLTDDVKKGLEMTRDSLIQALKEEGVEEVEV-D-SFDHNFHMAVQTLPADDEHPADSIAEVFQKGYKLHERLLRPAMVVVYN
3A6M Chain:A ((17-168))
--------------------------------------VGQEAQALEERLKAAEEELKGLKDKYLRLLADFDNYRKRMEEELKAREREGVLKALRALLPVLDDLDRALEFAEASPESIRQGVRAIRDGFFRILAGLGVEEVPGEGEAFDPRYHEAVGLLPG----EPGKVAKVFQRGFRMGEALVRPARVAVGE
General information:
TITO was launched using:
RESULT:
Template:
3A6M.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -15566 for 810 contacts (-19.2/contact) +
2D Compatibility (PS) -15531 + (NN) -1034 + (LL) 3608
1D Compatibility (HY) -8000 + (ID) 2600
Total energy: -39123.0 ( -48.30 by residue)
QMean score : 0.300
(partial model without unconserved sides chains):
PDB file :
Tito_3A6M.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A6M-query.scw
PDB file :
Tito_Scwrl_3A6M.pdb
: