Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEIVKVTHLKKSFGRFEALKDVSFTVHSGEVVGFIGPNGSGKSTTIRTLLGIIKKDGGTATIFGQDVWEDSLSIH---ERLSYVPGDISLWGNLTGGAIIDL----FMKLHGKGSAQKKDELIQRFSLDPKKKAK--NYSKGNRQKVGLIAALAVDSDLYLFDEPTSGLDPLMETIFQEEVEKLKEQGKSILLSSHILSEVERLADKVVIIREGTLDEEGTLDELRHLTRSTITIETEAENSHLAQLNGVHDFVQKGHLAQFAADNEAFDVILAEASKLGVKKFESIPPTLEDLFMRHYEG 4YMV Chain:J ((4-234)) ------VNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTRE-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1147 -6526 -5.69 -29.39 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain J : 0.72 3D Compatibility (PKB) : -5.69 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_4YMV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMV-query.scw PDB file : Tito_Scwrl_4YMV.pdb: