Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSYGIDGEVEQRYRILRHIGSGAYGVVWCALDRRTGKCVALKKVYDAFGNVQDAQRTYREVMLLQRLRHNPFIVGILDVIRAAN---DIDLYLVFELIETDLTAIIRK-NLLQRDHKRFLTYQLLRTVAQLHAQNIIHRDLKPANIFVSSDCSIKLGDFGLARTFRSGFDNEQEFLDLTDYIATRWYRSPEILVKSRAYSTAMDMWAIGCVIGEMLLGHPLFEGRNTLDQLRLIVEAIGVPSDADVRSLHSPELETLINSLPTPLIFSPLVGNKNLKDSEATDLMMKLIVFNPKRRLSAVEALQHPYVAPFVQPGELEKIQDLDPLVLPLVDEKVYTKEEYKANLYDEIGMRYRHHITDVY 5CI6 Chain:B ((37-368)) ------------YKPPIMPIGKGAYGIVCSAMNSETNESVAIKKIANAFDNKIDAKRTLREIKLLRHMD-HENIVAIRDIIPPPLRNAFNDVYIAYELMDTDLHQIIRSNQALSEEHCQYFLYQILRGLKYIHSANVLHRDLKPSNLLLNANCDLKICDFGLARVT-----------------VTRWYRAPELLLNSSDYTAAIDVWSVGCIFMELMDRKPLFPGRDHVHQLRLLMELIGTPS---LEFL-NENAKRYIRQLPPYP-RQSITDKFPTVHPLAIDLIEKMLTFDPRRRITVLDALAHPYLNSLHDISDEPECTI--PFNFDFE-NHALSEEQMKELIYREALAFNPEY-----

General information: TITO was launched using: RESULT: Template: 5CI6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1504 -63348 -42.12 -201.10 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -42.12 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_5CI6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CI6-query.scw PDB file : Tito_Scwrl_5CI6.pdb: