Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTRGVNMANLVYSPKDILQQEFKTKMRGYDPVEVDEFLDNIIKDYETYSKELLALQEE--NDRLSAK----VAQ--LSKTQGAAQTRVQQTEAPKSAAVTNFDILKRLSNLEREVFGKKLDQQASAVKPAQPNPNNYTNADTSLDDNEKTRQF 1ASS Chain:A ((26-131)) ----------LIDSALEIKKTEIEAKVQISDPSKIQDFLN---QETNTFKQMVEKIKKSGANVVLCQKGIDDVAQHYLAKEGIYAVRRVKKSDMEKLAKATGAKIVTDLDDLTPSVLGE-----------------------------------

General information: TITO was launched using: RESULT: Template: 1ASS.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 : 301 -1768 -5.87 -18.04 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -5.87 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.361

(partial model without unconserved sides chains): PDB file : Tito_1ASS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ASS-query.scw PDB file : Tito_Scwrl_1ASS.pdb: