Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILKIEDLVMSIISTDLTPFQIDDTLKAALREDVHSEDYSTNAIFDHHGQAKVSLFAKEAGVLAGLTVFQRVFTLFDAEVTFQNPHQFKDGDRLT-----SGDLVL-EIIGSVRSLLTCERVALNFLQHLSGIASMTAAYVEALGDDCIK--VFDTRKTTPNLRLFEKYAVRVGGGYNHRFNLSDAIMLKDNHIAAVGSVQKAIAQARAYAPFVKMVEVEVESLAAAEEAAAAGADIIMLDNMSLEQIEQAITLIAGRSR---IECSGNIDMTTISRFRGLAIDYVSSGSLTHSAKSLDFSMKGLTYLDV 3C2R Chain:A ((22-292)) -----------------------------LSEDVPSFDFGGYVVGSDLKEA--NLYCKQDGMLCGVPFAQEVFNQCELQVEWL----FKEGSFLEPSKNDSGKIVVAKITGPAKNILLAERTALNILSRSSGIATASHKIISLARSTGYKGTIAGTRKTTPGLRRLEKYSMLVGGCDTHRYDLSSMVMLKDNHIWATGSITNAVKNARAVCGFAVKIEVECLSEDEATEAIEAGADVIMLDN------------------HFLLECSGGLNL------LCDDIDIYSTSSIHQGTPVIDFSLK-------

General information: TITO was launched using: RESULT: Template: 3C2R.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 : 1112 -19075 -17.15 -81.87 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -17.15 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_3C2R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C2R-query.scw PDB file : Tito_Scwrl_3C2R.pdb: