Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRPDSKSMNYQLLKTFSRQPIQFGRFLARLLAGLVNTLKI-TRTSKSIELNLRIALPYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNS-KNISRIHRIEGEHFFHEALAAKKGVVLIVPHFGTWEVMNAWCAQFTSMTILYKPVKNADADRFVREARSREQANLVPTDESGVRQIFKALKQGETTVILPDHTPNVGGDMVNYFGVPLASSNLSAKLIQKTKAKALFLYAIRNENDGFTIHIEPMDEKIYEGTADDGTYVIHQAIEQLIYQYPEHYHWSYKRFKANPALDNIYNIDPTEALKIVDRLKAEALKTSTQPEPIQTSVM 5KNK Chain:B ((10-333)) ---PDSKSMNYQLLKTFSRQPIQFGRFLARLLAGLVN-TLKITRTSKSIELNLRIALPYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNSKNISRI-HRIEGEHFFHEALAAKKGVVLIVPHFGTWAVMNAWCAQFTSMTILYKPVKNADADRFVREARSREQANLVPTDESGVRQIFKALKQGETTVILPDHTPNVGGDMVNYFGVPLASSNLSAKLIQKTKAKALFLYAIRNENDGFTMHIEPMDEKIYEGTADDGTYVIHQAIEQLIYQYPEHYHWSYKRFKANPALDNIYNIDPTEALKIVDRLKAEALKTSTQPEPIQTSVM

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 : 1357 -19781 -14.58 -61.43 target 2D structure prediction score : 0.81 Monomeric hydrophicity matching model chain B : 0.97 3D Compatibility (PKB) : -14.58 2D Compatibility (Sec. Struct. Predict.) : 0.81 1D Compatibility (Hydrophobicity) : 0.97 QMean score : 0.555

(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: