Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRASTVTIKTEQDLEKLRVSGRLAAQVLEMIGEYVKPGVTTEYLDNICNDYIVNTLKVIPANVGYHGFTKTICISVNEVVCHGIPSQNKILKDGDIINIDVAIIKDGYFGDTSRMYYVGNVNPHAKKLVETTYEAMVAGIHAVKPGATLGDIGYAIQSVAHREGYSIVREYCGHGIGKVYHEQPNILHYGQRGQGLVLKKGMVFTIEPMVNAGKPQVKELNDGWTVITQDHSLSAQWEHMVAVTDTGFELLTPWPEGVGNYPEI 3PKC Chain:A ((41-283)) -------VQTPEVIEKMRVAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYLVDN-GAYPSTLGYKGFPKSCCTSLNEVICHGIP-DSTVITDGDIVNIDVTAYIGGVHGDTNATFPAGDVADEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYANRFGYNVVRDFTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWDDGWTVVTKDRKWTAQFEHTLLVTDTGVEILT------------

General information: TITO was launched using: RESULT: Template: 3PKC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1473 -160188 -108.75 -659.21 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -108.75 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_3PKC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PKC-query.scw PDB file : Tito_Scwrl_3PKC.pdb: