Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLAPLATVITPNLFEASQLSGMDELKTVDDMIEAAKKIHALGAQYVVITGGGKLKHEKAVDVLYDGETAEVLESEMIDTPYTHGAGCTFSAAVTAELAKGAEVKEAIYAAKEFITAAIKESFPLNQYVGPTKHSALRLNQQS 4C5N Chain:D ((2-264)) -ALKKVLTIAGSDTSAGAGMQADLKTFQELDTYGMVALTAIVTMD-KDTWSHDVTPLPMDVFEKQLETALS-IGPDAIKTGMLGTEEIIKRAGEVYEASNAQYFVVDPVMVC-------NPGNTEAMIKYLLPKATVVTPNLFEAGQLSGLGKLNSIEDMKKAATIIFDKGAQHVIIKGGKALDQDKSYDLYYDGQTFYQLTTDMFQQSYNHGAGCTFAAATTAYLANGKSPKEAVISAKAFVASAIKNGWKMNDFVGPVDHGAYN-----

General information: TITO was launched using: RESULT: Template: 4C5N.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1600 -148048 -92.53 -578.31 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain D : 0.85 3D Compatibility (PKB) : -92.53 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.503

(partial model without unconserved sides chains): PDB file : Tito_4C5N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C5N-query.scw PDB file : Tito_Scwrl_4C5N.pdb: