Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVGLVGWRGMVGSVLMQRMVEENDFAHIEPFYFSTSNAGGEAPSFGGKTAPALMEATDITSLKQMDVIITCQGGDYTSEVFPKLKATGWDGYWIDAASTLRMTDDAIIVLDPVNLNVIKDGLAKGTKTFVGGNCTVSLMLMGVGALFQNNLVEWMTAMTYQAASGAGAQNMRELLTGMGYLYNNTKTLLDDPKSAILDIDRQVAELQRGEGFPSANFGVPLAGSLIPYIDKQLESGQSKEEWKGLVETNKILGN-SQIVPIDGHCVRIGAMRCHSQALNIKLKKDVPLDEIEDMIRNSNQWAKVVPNTREASMTDLTPVAVTGTLTVPVGRLRKLNMGKEYLGAFTVGDQLLWGAAEPLRRMLRILVEYKSS 5BNT Chain:C ((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 C - contact count / total energy / energy per contact / energy per residue : 2009 -142844 -71.10 -390.28 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.90 3D Compatibility (PKB) : -71.10 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.543

(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: