Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MNFIKKWSVGLLSMLPV-LAMAHPGHDHVHSGFMAGFIHPFTGLDHLIMALGFGVLLWSAAKQWKIAGVITLSITLVIGFLVGAQGLVPANVAEYGIVTSLIITAIAL--WTKSNRILPIAAALLASFH-GMAHGVELAHAGHIVALVTGMVAGMALIYCGGLALGAVFTRYVPYGKKIVGACAALVAVIGLS--- 5KCI Chain:A ((16-199)) GWKWEQIKEIIESGELARLKRSRQMTDKYHEHKKRT------AGLDMNQYVLQKLG-----WSLDEP-QLENAAAKAFSSSTLYAVRANDF-PYNF-EPGVVHLVLWSKVALPVHSPDKAVREAARARMNAFLQAQPLLRPLLSSGHVAWFVN--YPELQSVARIFHAHVLLFFPRERYSAEQVKTTVDDILSHGFEPLA

General information: TITO was launched using: RESULT: Template: 5KCI.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 : 648 -27924 -43.09 -161.41 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -43.09 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.064

(partial model without unconserved sides chains): PDB file : Tito_5KCI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KCI-query.scw PDB file : Tito_Scwrl_5KCI.pdb: