Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLNQRQERIIDIIKQFQPITGELIAEKLGVTRAALRSDLAVLSMLGIIDAKPKVGYFYLGQYHASIGTSHFEKMTVSEIMGIPLTVHQKDSVYDVIVHIFMEDAGCAFILDDDDFLCGVVSRKDLLKTSIGGGDLSKMPIGMVMTRMPHVTTVLENESLFAAADKLVSRKVDSLPVVRHDKQYPEKFKVIGKLSKTILASLFLEIRDY
3FWR Chain:A ((7-147))
----------------------------------------------------------------TQLLADKLKKLQVKDFQSIPVVIHENVSVYDAICTMFLEDVGTLFVVDRDAVLVGVLSRKDLLRASIGQQELTSVPVHIIMTRMPNITVCRREDYVMDIAKHLIEKQIDALPVI---KDTDKGFEVIGRVTKTNMTKILVSLSEN
General information:
TITO was launched using:
RESULT:
Template:
3FWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88845 for 1007 contacts (-88.2/contact) +
2D Compatibility (PS) -15041 + (NN) -3566 + (LL) 5692
1D Compatibility (HY) -18400 + (ID) 2500
Total energy: -122660.0 ( -121.81 by residue)
QMean score : 0.430
(partial model without unconserved sides chains):
PDB file :
Tito_3FWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FWR-query.scw
PDB file :
Tito_Scwrl_3FWR.pdb
: