Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDRNIDQELVSIIIPTHNRYESLIRAVKSCLHQSYKN---IEVIIIDDNYSNVNLRNKIIH--Q-FGYTN--HRIKLILSNEDLGATNARNIGIKNS----RGKYISFLDDDDEYMPDRILKLMACFKKSRMKNLALVYSYGIIIYPNGTREE----EKT---------------DFVGNP---------LFVQM-VHNIAGTSFWLCKKEVLELINGFEK-IDSHQDGVVLLKLLAQGYQIDIVREFLVNYYAHSKENGITGVTQKTINADEEYYNYCRKYFNLLSFNERILVTKKYYSLNIKRLLLIGDKCKALKVIKKAREEKIFNEFLFLKYMLLYNFSFFYCIYDNYVQLKFRK 4FIX Chain:A ((176-422)) ---APGTANIAVGIPTFNRPADCVNALRELTADPLVDQVIGAVIVPDQGERKV-----RDHPDFPAAAARLGSRLSI-HDQPNLGGSGGYSRVMYEALKNTDCQQILFMDDDIRLEPDSILRVLAMHRFAK--APMLVGGQMLNLQEPSHLHIMGEVVDRSIFMWTAAPHAEYDHDFAEYPLNDNNSRSKLLHRRIDVDYNGWWTCMIPRQVAEELGQPLPLFIKWDDADYGLRAAEHGYPTVTLPGAAIWHMAWSDK-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FIX.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 : 958 -33586 -35.06 -163.83 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -35.06 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_4FIX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FIX-query.scw PDB file : Tito_Scwrl_4FIX.pdb: