Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEMRGGDLEAAALALWPDLARQMGEEAGLWRAAPLARREDARVARVLLRLDGPEGRRLVLKHQARPVVPDKFADGIAAHVAVQEVWPEGLPVLQAVDLERQACVMEYLPARPLSVLLEGAP-----LETQAALLRRAGAWMDGFHRALHGEARVFQ-----PKFTIHFLRSVMGELRAGERRVAEPERFLVCAEALCAMQPDFEGQETVTAQTHGDLHQRNLVLDE-TRCWGVDFAGGRVVPVGHDIARLLTDYAILHAPKEAIPKGQVLPPQAQSAFFEGYGLVGPGDPSVQLLLRNRVLAEWWGLPAREAERSRAQARRFGRLMALVDRVFG 5UXD Chain:A ((6-252)) -----------DLDALLDLAARHGLDLDGGTLRTE----EIGLDFRVAFARAHDGGDWVLRLPRRPDVLERAAVEGRLLAMLAPHLDVAVPDWRIS--TSELIAYPLLPGSPGLTVAADGEVSWHVDMASTVYARSLGSVVAQLHAVDAEAAAATGIEVRSPAQVRGAWRQDLARVGA------EFEIAPALRERWEAWLADDGCWPGHSVLTHGELYPAHTLVEDERITAVLDWTTAAVGDPAKDLMFHQVSAP--------S--------AIFEVALQAYAEGG------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5UXD.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 : 954 -64624 -67.74 -273.83 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -67.74 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.261

(partial model without unconserved sides chains): PDB file : Tito_5UXD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5uxd-query.scw PDB file : Tito_Scwrl_5UXD.pdb: