Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------MRKFKIFLFIEACL--LTGALILMVSEHFSRFLLILFLFLLLI------------RYYTGKEGNNLLLVAATILFFFIVMLNPFVILAIFVAVIYSLFLLY-PMMNQEKEQTNLVFEEVVTVKKEKNRWFGNLHHFSSYQT--CQFDDINLFRFMGKDTIHLERVILT-NHDNVIILRKIV--------------GTTKIIVPVDVEVSLSVNCLYGDLTFFNQPKRALRN--EHYHQETKDYLKSNKSVKIFLTTMIGDVEVVRG-------------------- 5KNK Chain:B ((10-333)) PDSKSMNYQLLKTFSRQPIQFGRFLARLLAGLVNTLKITRTSKSIELNLRIALPYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNSKNISRIHRIEGEHFFHEALAAKKGVVLIVPHFGTWAVMNAWCAQFTSMTILYKPVKNADADRFVREARSREQANLVPTDESGVRQIFKALKQGETTVILPDHTPNVGGDMVNYFGVPLASSNLSAKLIQKTKAKALFLYAIRNENDGFTMHIEPMDEKIYEG-TADDGTYVIHQAIEQLIYQYPEHYHWSYKRFKANPALDNIYNIDPTEALKIVDRLKAEALKTSTQPEPIQTSVM

General information: TITO was launched using: RESULT: Template: 5KNK.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 : 718 3446 4.80 14.92 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : 4.80 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.098

(partial model without unconserved sides chains): PDB file : Tito_5KNK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KNK-query.scw PDB file : Tito_Scwrl_5KNK.pdb: