Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKTAFLFAGQGAQYLGMGRDFYDQYPIVKETIDRASQVLGYDLRYLIDTEEDKLNQTRYTQPAILATSVAIYRLLQEKGYQPDMVAGLSLGEYSALVASGALDFEDAVALVAKRGAYMEEAAPADSGKMVAVLNTPVEVIEEACQKASELGVVTPANYNTPAQIVIAGEVVAVDRAVELLQEAGAKRLIPLKVSGPFHTSLLEPASQKLAETLAQVSFSDFTCPLVGNTEAAVMQKEDIAQLLTRQVKEPVRFYESIGVMQEAGISNFIEIGPGKVLSGFVKKIDQTAHLAHVEDQASLVALLEK 4AMO Chain:A ((146-368)) --------------------------------------------------------DTAVAQPAIIADSLAGIRWLDRLGARPVGALGHSLGELAALSWAGALDADDTLALARARGEAMSVATEAPSGMLSLRAD-----LAAARELAAGTGAVV-AVDNGERHVVVAGTRPELDRVAEAARHAGIE-ATPLAVSHAFHSPLMAPAAEALRRAAGRLPWRRPERPVASTVTGAWWADEDPVEVLVRQLTGPVRFREALGLLD---ADLLVEVGPGRMLSALAEAAGRTA-----------------

General information: TITO was launched using: RESULT: Template: 4AMO.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 : 1170 -114438 -97.81 -513.17 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -97.81 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_4AMO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AMO-query.scw PDB file : Tito_Scwrl_4AMO.pdb: