Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLAPLATVITPNLFEASQLSGMDELKTVDDMIEAAKKIHALGAQYVVITGGGKLKHEKAVDVLYDGETAEVLESEMIDTPYTHGAGCTFSAAVTAELAKGAEVKEAIYAAKEFITAAIKESFPLNQYVGPTKHSALRLNQQS 4C5J Chain:B ((2-264)) -ALKKVLTIAGSDTSAGAGMQADLKTFQELDTYGMVALTAIVTMD-KDTWSHDVTPLPMDVFEKQLETALS-IGPDAIKTGMLGTEEIIKRAGEVYEASNAQYFVVDPVMVCKGEDEVLNPGNTEAMIKYLLPKATVVTPNLFEAGQLSGLGKLNSIEDMKKAATIIFDKGAQHVIIKGGKALDQDKSYDLYYDGQTFYQLTTDMFQQSYNHGAGCTFAAATTAYLANGKSPKEAVISAKAFVASAIKNGWKMNDFVGPVDHGAYN-----

General information: TITO was launched using: RESULT: Template: 4C5J.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 : 1602 -139093 -86.82 -528.87 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -86.82 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_4C5J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C5J-query.scw PDB file : Tito_Scwrl_4C5J.pdb: