Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRPDSKSMNYQLLKTFSRQPIQFGRFLARLLAGLVNTLKITRTSKSIELNLRIALPYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNSKNISRIHRIEGEHFFHEALAAKKGVVLIVPHFGTWEVMNAWCAQFTSMTILYKPVKNADADRFVREARSREQANLVPTDESGVRQIFKALKQGETTVILPDHTPNVGGDMVNYFGVPLASSNLSAKLIQKTKAKALFLYAIRNENDGFTIHIEPMDEKIYEGTADDGTYVIHQAIEQLIYQYPEHYHW----S-----YKRFKANPALDNIYNIDP-------------------TEALKIVDRLKAEALKTSTQPEPIQTSVM 5BOB Chain:E ((133-208)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NGFNSQWNWSAGQANPSETVNSWKSGNRLSKIYFINQITDTTELTYTLTAKVTEPNQQSFPLLAVMKSFTYTNSKS---------

General information: TITO was launched using: RESULT: Template: 5BOB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 56 -3453 -61.66 -71.94 target 2D structure prediction score : 0.23 Monomeric hydrophicity matching model chain E : 0.54 3D Compatibility (PKB) : -61.66 2D Compatibility (Sec. Struct. Predict.) : 0.23 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.258

(partial model without unconserved sides chains): PDB file : Tito_5BOB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BOB-query.scw PDB file : Tito_Scwrl_5BOB.pdb: