Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARLEQLGYHARAARRGSEIDAEAATAIVRRHLGHLGDGLTVIRQRKLYGGSINRVIEWTVRDATGRDRPLVAKVNNLR-SAKLFRREMASLEVYRTQTDLPVPRPLAYLEDEPEFDGSGLLMQRIDGVNLSEA--KVT-----PAGMRLLQRDLAGHVVALHSHHRSAYGTALEP----TGP-RRWLDSFGPVIGEEFFRVRDAIPSATREVIDDIVKNLEVWLPEQSTPTLVHGDLWSNNILVDDRHPDRPEILAFIDVS-ASYCDPEYELAYLRMFQ--TADDSFFERYRRRHPLR-SGFSRRCRVYWLNTMMMHVRVFGDRYLPQLEDIVRQIRTLG 5UXD Chain:A ((4-270)) ------------------PEDLDALLDLAARHGLDL----DGGTLRTEEIGLDFRVAFARAHD----GGDWVLRLPRRPDVLERAAVEGRLLAMLAPHLDVAVPDWRIST-------SELIAYPLLPGSPGLTVAADGEVSWHVDMASTVYARSLGSVVAQLHAVDAEAAAATGIEVRSPAQVRGAWRQDLARVGA------EFEIAPALRERWEAWLAD---DGCWPGHSVLTHGELYPAHTLVEDE-----RITAVLDWTTAAVGDPAKDLMFHQVSAPSAIFEVALQAYAEGGGRPWPGLAR--HCTEMFSAA-------------------------

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 : 1057 -35414 -33.50 -141.65 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -33.50 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.281

(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: