Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVGLVGWRGMVGSVLMQRMVEENDFAHIEPFYFSTSNAGGEAPSFGGKTAPALMEATDITSLKQMDVIITCQGGDYTSEVFPKLKATGWDGYWIDAASTLRMTDDAIIVLDPVNLNVIKDGLAKGTKTFVGGNCTVSLMLMGVGALFQNNLVEWMTAMTYQAASGAGAQNMRELLTGMGYLYNNTKTLLDDPKSAILDIDRQVAELQRGEGFPSANFGVPLAGSLIPYIDKQLESGQSKEEWKGLVETNKILGN-SQIVPIDGHCVRIGAMRCHSQALNIKLKKDVPLDEIEDMIRNSNQWAKVVPNTREASMTDLTPVAVTGTLTVPVGRLRKLNMGKEYLGAFTVGDQLLWGAAEPLRRMLRILVEYKSS 5BNT Chain:B ((11-377)) -RVGLIGWRGMVGSVLMQRMLEERDFDLIEPVFFTTSNVGGQGPEVGKDIAP-LKDAYSIDELKTLDVILTCQGGDYTSEVFPKLREAGWQGYWIDAASSLRMEDDAVIVLDPVNRKVIDQALDAGTRNYIGGNCTVSLMLMALGGLFDAGLVEWMSAMTYQAASGAGAQNMRELLKQMGAAHASVADDLANPASAILDIDRKVAETLRSEAFPTEHFGAPLGGSLIPWIDKELPNGQSREEWKAQAETNKILARFKNPIPVDGICVRVGAMRCHSQALTIKLNKDVPLTDIEGLISQHNPWVKLVPNHREVSVRELTPAAVTGTLSVPVGRLRKLNMGSQYLGAFTVGDQLLWGAAEPLRRMLRILLE----

General information: TITO was launched using: RESULT: Template: 5BNT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1999 -137447 -68.76 -375.54 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -68.76 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_5BNT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BNT-query.scw PDB file : Tito_Scwrl_5BNT.pdb: