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

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 C - contact count / total energy / energy per contact / energy per residue : 1599 -140883 -88.11 -541.86 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain C : 0.85 3D Compatibility (PKB) : -88.11 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.494

(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: