Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEGPKKAGVLGSPIAHSRSPQLHLAAYRALGLHD-WTYERIECGAAELPVVVGGFGPEWVGVSVTMPGKFAALRFADERTARADLVGSANTLVRT-PHGWRADNTDIDGVAGALGAAAGHALVLGSGGTAPAAVVGLAELGVTDITVVARNSDKAARLV-DLGTRVGVATRFCAFDSGGLADAVAAAEVLVSTIPAEVAAGYAGTLAAIPVLLDAIYDPWPTPLAAAVGSAGGRVISGLQMLLHQAFAQVEQFTGLPAPREAMTCALAALD
4XIJ Chain:A ((9-274))
MVPDSRKAAVLGSPITHSRSPQLHLAAYRALGL-PSWTYERIECTAEQLPGLVSALGPEWVGLSVTMPGKFAALEFADQRTDRAQLVGSANTLVRMPTGGWRADNTDVDGVTGALGTAGDSALVIGSGGTAPAAVVALAELGVQRITIVARDEGKASRLVDLARRC-GAQGGWCDIGGAALADAVASADAAVSTIPADAAAVYADALARVPRVLDAIYDPWPTPLAQAVEAAGGEAINGLQMLLNQAFAQVEQFTGMPAPKEAMRAAL----
General information:
TITO was launched using:
RESULT:
Template:
4XIJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -221405 for 2375 contacts (-93.2/contact) +
2D Compatibility (PS) -29101 + (NN) -15759 + (LL) 624
1D Compatibility (HY) -26000 + (ID) 9200
Total energy: -300841.0 ( -126.67 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_4XIJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4XIJ-query.scw
PDB file :
Tito_Scwrl_4XIJ.pdb
: