Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSYGIDGEVEQRYRILRHIGSGAYGVVWCALDRRTGKCVALKKVYDAFGNVQDAQRTYREVMLLQRLRHNPFIVGILDVIRAAN---DIDLYLVFELIETDLTAIIRKNLLQRDHKRFLTYQLLRTVAQLHAQNIIHRDLKPANIFVSSDCSIKLGDFGLARTFRSGFDNEQEFLDLTDYIATRWYRSPEILVKSRAYSTAMDMWAIGCVIGEMLLGHPLFEGRNTLDQLRLIVEAIGVPSDADVRSLHSPELETLINSLPTPLIFSPLVGNKNLKDSEATDLMMKLIVFNPKRRLSAVEALQHPYVAPFVQPGELEKIQDLDPLVLPLVDE-KVYTKEEYKANLYDEIGMRYRHHITDVY 4XNE Chain:A ((10-345)) --------DVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFE-HQTYCQRTLREIKILLRFR-HENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDH---TGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKN-KVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIA----EAPFKFDMELDDLPKEKLKELIFEETARFQ--------

General information: TITO was launched using: RESULT: Template: 4XNE.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 : 1623 -66527 -40.99 -200.38 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -40.99 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_4XNE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XNE-query.scw PDB file : Tito_Scwrl_4XNE.pdb: