Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSYGIDGEVEQRYRILRHIGSGAYGVVWCALDRRTGKCVALKKVYDAFGNVQDAQRTYREVMLLQRLRHNPFIVGILDVIRAAN---DIDLYLVFELIETDLTAIIRK-NLLQRDHKRFLTYQLLRTVAQLHAQNIIHRDLKPANIFVSSDCSIKLGDFGLARTFRSGFDNEQEFLDLTDYIATRWYRSPEILVKSRAYSTAMDMWAIGCVIGEMLLGHPLFEGRNTLDQL-----------------RLIVEAIGVPSDADVRSLHSPELETLINSLPTPLIFSPLVGNKNLKDSEATDLMMKLIVFNPKRRLSAVEALQHPYVAPFVQPGELEKIQDLDPLVLPLVDEKVYTKEEYKANLYDEIGMRYRHHITDVY 3N9X Chain:B ((22-411)) -------VHVPDNYIIKHLIGRGSYGYVYLAYDKNTEKNVAIKKVNRMFEDLIDCKRILREITILNRLK-SDYIIRLYDLIIPDDLLKFDELYIVLEIADSDLKKLFKTPIFLTEEHIKTILYNLLLGENFIHESGIIHRDLKPANCLLNQDCSVKVCDFGLARTIN-------------SHVVTRWYRAPELILLQENYTKSIDIWSTGCIFAELLNMLQSHINDPTNRFPLFPGSSCFHEKSNRDQLNIIFNIIGTPTEDDLKNI-KPEVIKYIKLFPHRKP-INLKQKYPSISDDGINLLESMLKFNPNKRITIDQALDHPYLKDVRKKKLE---T--KKIILPFDDWMVLSETQLRYIFLKEVQSFHPEL-----

General information: TITO was launched using: RESULT: Template: 3N9X.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 : 1584 -44757 -28.26 -137.71 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -28.26 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_3N9X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N9X-query.scw PDB file : Tito_Scwrl_3N9X.pdb: