Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFQFQEVFPAERTAAINVAIETAFGGAKLEDVNLLTGGLSTAPVYKLTV-DNRPYVMKLDVLHVAAT-V-DLSEKVALAAQ-AGI-APALLYRNVESGITISDFVENKPIRSIFT-----------GEVLADRLAGAVKKIHAVPYTIPGDD---------LKATIDHILTGFRQTNILSGEIPDECLRRYAEVREIYPWQDTDKVFSHNDLNPSNILCDG-QDIWVIDWNTAFVNDRYVDLAGVANFFIHMPEQEAVFLKAYFGDELDEYKKARFYVMRQISRIIYALMMLHLAAKAKPADYKHDQDVAGVLLRDVGPAIGAGKLSLATYEGQFMYGKALMHEAVQQMRTARFEASLAMLKG 5UXD Chain:A ((5-253)) -----------EDLDALLDLAARHGLDLDGGTLRTEEIGLDF-RVAFARAHDGGDWVLRLPRRPDVLERAAVEGRLLAMLAPHLDVAVPDWRIST--SELIAYPLLPGSPGLTVAADGEVSWHVDMASTVYARSLGSVVAQLHAVDAEAAAATGIEVRSPAQVRGAWRQDLARVGAEFEI----APALRERWEAWLADDGCWPGHSVLTHGELYPAHTLVEDERITAVLDWTTAAVGDPAKDLMFHQVS--APSAIFEVALQAYAEGGG-----------------------------------------------------------------------------------------------

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 : 862 -54639 -63.39 -245.02 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -63.39 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.230

(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: