Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEGPKKAGVLGSPIAHSRSPQLHLAAYRALGLHDWTYERIECGAAELPVVVGGFGPEWVGVSVTMPGKFAALRFADERTARADLVGSANTLVRTPHG-WRADNTDIDGVAGALGAAAGHALVLGSGGTAPAAVVGLAELGVTDITVVARNSDKAARLVDLGTRVGVATRFCAFDSGGLADAVAAAEVLVSTIPAEVAAGYAGTLAAIPVLLDAIYDPWPTPLAAAVGSAGGRVISGLQMLLHQAFAQVEQFTGLPAPREAMTCALAALD
4XIJ Chain:A ((14-274))
-----RKAAVLGSPITHSRSPQLHLAAYRALGLPSWTYERIECTAEQLPGLVSALGPEWVGLSVTMPGKFAALEFADQRTDRAQLVGSANTLVRMPTGGWRADNTDVDGVTGALGTAGDSALVIGSGGTAPAAVVALAELGVQRITIVARDEGKASRLVDLARRCGAQGGWCDIGGAALADAVASADAAVSTIPADAAAVYADALARVPRVLDAIYDPWPTPLAQAVEAAGGEAINGLQMLLNQAFAQVEQFTGMPAPKEAMRAAL----
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) -228379 for 2364 contacts (-96.6/contact) +
2D Compatibility (PS) -28951 + (NN) -17010 + (LL) 360
1D Compatibility (HY) -26800 + (ID) 9350
Total energy: -310130.0 ( -131.19 by residue)
QMean score : 0.546
(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
: