Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLAPLATVITPNLFEASQLSGMDELKTVDDMIEAAKKIHALGAQYVVITGGGKLKHEKAVDVLYDGETAEVLESEMIDTPYTHGAGCTFSAAVTAELAKGAEVKEAIYAAKEFITAAIKESFPLNQYVGPTKHSALRLNQQS 4C5M Chain:B ((2-264)) -ALKKVLTIAGSDTSAGAGMQADLKTFQELDTYGMVALTAIVTMD-KDTWSHDVTPLPMDVFEKQLETALS-IGPDAIKTGMLGTEEIIKRAGEVYEASNAQYFVVDPVMVCKGEDEVLNPGNTEAMIKYLLPKATVVTPNLFEAGQLSGLGKLNSIEDMKKAATIIFDKGAQHVIIKGGKALDQDKSYDLYYDGQTFYQLTTDMFQQSYNHGAGCTFAAATTAYLANGKSPKEAVISAKAFVASAIKNGWKMNDFVGPVDHGAYN-----

General information: TITO was launched using: RESULT: Template: 4C5M.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 : 1611 -140328 -87.11 -533.57 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -87.11 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_4C5M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C5M-query.scw PDB file : Tito_Scwrl_4C5M.pdb: