Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDGPGSDPIDRALAAAFPDREVDRLTGVGPSWNGANETVDVAFADGGRAFLKVALAD-ESNRLARARAVLRYVGAHGQLPVPEVLAADPDGDPAYLATAPAPGRGLLDVYEAAS-----DDERERLLRRVGRVLAALHADRFASHGEIVGAGTERGSVAEGAATAGPDAQTGLAIEFAPWTDVLLATVERTREIGTSERLADHYDAVVDCVRANRDLLDDAPAALLHGDVTKPNLFVTAEGDGADATDGPGVAAIDWELSHVGDPARDLVRAEDQLLNGFDSTGPERFAAALREGYRERAGGLPAGFERRRPVYEVVRMLGRSGFVDQWVPYLDEPLDALVDRADAELRARLDAV 5UXD Chain:A ((3-254)) -MPEDLDALLDLAARHGLDLDGGTLRTE--EIGLDFRVAFARAHDGGDWVLRLPRRPDVLERAAVEGRLLAMLAPHLDVAVPDWRIST----SELIAYPLLPGSPGLTVAADGEVSWHVDMASTVYARSLGSVVAQLHAVDAEAAAATGIEV------------------RSPAQVRGAWRQDLARVGAEF------EIAPALRERWEAWLADDG--CWPGHSVLTHGELYPAHTLVEDER---------ITAVLDWTTAAVGDPAKDLMFHQVSA----P----SAIFEVALQAYAEGGGR-----------------------------------------------------

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 : 1027 7462 7.27 30.33 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 7.27 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.190

(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: