Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLNQRQERIIDIIKQFQPITGELIAEKLGVTRAALRSDLAVLSMLGIIDAKPKVGYFYLGQYHASIGTSHFEKMTVSEIMGIPLTVHQKDSVYDVIVHIFMEDAGCAFILDDDDFLCGVVSRKDLLKTSIGGGDLSKMPIGMVMTRMPHVTTVLENESLFAAADKLVSRKVDSLPVVRHDKQYPEKFKVIGKLSKTILASLFLEIRDY
3FWS Chain:A ((7-147))
----------------------------------------------------------------TQLLADKLKKLQVKDFQSIPVVIHENVSVYDAICTMFLEDVGTLFVVDRDAVLVGVLSRKDLLRASIGQQELTSVPVHIIMTRMPNITVCRREDYVMDIAKHLIEKQIDALPVI---KDTDKGFEVIGRVTKTNMTKILVSLSEN
General information:
TITO was launched using:
RESULT:
Template:
3FWS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89778 for 1014 contacts (-88.5/contact) +
2D Compatibility (PS) -15188 + (NN) -4441 + (LL) 5692
1D Compatibility (HY) -18400 + (ID) 2500
Total energy: -124615.0 ( -122.89 by residue)
QMean score : 0.448
(partial model without unconserved sides chains):
PDB file :
Tito_3FWS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FWS-query.scw
PDB file :
Tito_Scwrl_3FWS.pdb
: