Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHKGWSGHFFCAQNEKGSEKMAEITLEFDTIAAISTPPGEGAISIVRLSGDQAVQLADKVYQSGNKRLSEVPSHTIHYGHIVDPKSNQLVDEVMVSVMRAPKTFTREDVVEINCHGGIVVVNQILQLLLREGARLAEPGEFTKRAFLNGRVDLSQAEAVMDLIRAKTDKAMGLALNQLDGNLSALIRSLRQEILETLAQVEVNIDYPEYDDVEELTTKLLLEKAQMIQQRIQALLATSKQGKVLREGLSTAIIGRPNVGKSSLLNHLLREEKAIVTDIAGTTRDVIEEYVNVRGVPLKLIDTAGIR-ETEDVVERIGVERSRKALAEADLILLVLNQSEPLTAEDEQLLEATSGLKRIILLNKTDLPAQLEQEKLK-KLIENEPVFSISVAKNDGLDRLESAI----SDLFFSGETGERDATYVSNTRHIALLEKASLSLEEVIAGIDSGMPVDLVQIDMTRCWDYLGEVVGDSVQDELITQLFSQFCLGK 1XZP Chain:A ((27-482)) ---------------------SSVDKLMDTIVAVATPPGKGAIAILRLSGPDSWKIVQKHLRTRSKI---VPRKAIH-GWI--HENGEDVDEVVVVFYKSPKSYTGEDMVEVMCHGGPLVVKKLLDLFLKSGARMAEPGEFTKRAFLNGKMDLTSAEAVRDLIEAKSETSLKLSLRNLKGGLRDFVDSLRRELIEVLAEIRVELDYP--DEIETNTGEVVT-RLERIKEKLTEELKKADAGILLNRGLRMVIVGKPNVGKSTLLNRLLNEDRAIVTDIPGTTRDVISEEIVIRGILFRIVDTAGVRSETNDLVERLGIERTLQEIEKADIVLFVLDASSPLDEEDRKILERIKNKRYLVVINKVDVVEKINEEEIKNKLGTDRHMVKISALKGEGLEKLEESIYRETQEIFERGSD-----SLITNLRQKQLLENVKGHLEDAIKSLKEGMPVDMASIDLERALNLLDEVTGRSFREDLLDTIFSNFCVGK

General information: TITO was launched using: RESULT: Template: 1XZP.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 : 2158 -53078 -24.60 -117.95 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -24.60 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_1XZP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XZP-query.scw PDB file : Tito_Scwrl_1XZP.pdb: