Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPLEIPTKYDSLLKKKVSLKTSFTFMLIIVLIIWSFIYTGFNFGDLMIGIPQIGDLFKQMIPPDFEYLQQITTPMLDTIRMAIVSTVLGSIVSIPIALLCASNIVHQKWISIPSRFILNIVRTIP---DLLLAAIFVAVFGIGQIP----GILALFILTICIIGKLLYESLETIDPGPMEAMTAVGANKIKWIVFGVVPQAISSFMSYVLYAFEVNIRASAVLGLVGAGGIGLFYDQTLGLFQYPKTATIILFTLVIVVVIDYISTKVRAHLA
4YMS Chain:D ((22-167))
-----------------------------------------------------------------------------TLKLTFLAVTIGVLMGLFIALMKMSSI---KPIKLVASSYIEVIRGTPLLVQLLLIYNGLMQFGM-NIPAFTAGVSALAINSSAYVAEIIRAGIQAVDPGQNEAARSLGMTHAMAMRYVIIPQAIKNILPALGNEFIVMLKESAIVSVIG----------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4YMS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125349 for 952 contacts (-131.7/contact) +
2D Compatibility (PS) -14315 + (NN) 2761 + (LL) 10504
1D Compatibility (HY) -11200 + (ID) 1850
Total energy: -139449.0 ( -146.48 by residue)
QMean score : 0.260
(partial model without unconserved sides chains):
PDB file :
Tito_4YMS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMS-query.scw
PDB file :
Tito_Scwrl_4YMS.pdb
: