Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEK-EGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERL-----PLAQVSAHPWVRANSRRVLPPSALQSVA 2F7Z Chain:E ((41-297)) -------------------------------------------------------------------------LDQFERIKTLGTGSFGRVMLVKHMETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQA-VNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKG-RTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKW------------------

General information: TITO was launched using: RESULT: Template: 2F7Z.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1247 -66436 -53.28 -264.68 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain E : 0.72 3D Compatibility (PKB) : -53.28 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_2F7Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2f7z-query.scw PDB file : Tito_Scwrl_2F7Z.pdb: