Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKGPDMQAIILDTETHTLNG-----L-PIEIAYAPIEINAGKLTLDK--SKLFDQLYQVGT--PISYAAMAVHHILESDLENQPHYKTFK----LPDT-------TTYIIGHNIDYDIAAIAR-C----GVDV--SHIKPICTLALTRKTWPDA------EAHNISALIYMISQGSSKARELLKGAHRADADIILTANILMHIVYHLNIHDIEELYRVSEEARIPTTINFGKHKGTAIAELPKDYIQWLLRQDELDVYLRKALESAF 3CG7 Chain:A ((15-217)) --HCPFDTLLILDFETTSDAANQDYPCEVIQFAIVAYDVP----NDKIREDISFNKYVKPVLNRTLTKNCVDFTGIPQRSIDTADTFDVVYEQFQQWLITLGLEEGKFAFVCDS-RQDLWRIAQYQMKLSNIQMPAFFRQYINLYKIFTNEMDRMGPKELSATTNIGKMNEYYDLPT------IGRAHDAMDDCLNIATILQRMINMGAKVTVNEL----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CG7.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 : 657 -20481 -31.17 -121.19 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -31.17 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_3CG7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CG7-query.scw PDB file : Tito_Scwrl_3CG7.pdb: