Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLEKWIEEKFNTTKYTLEKTDKGISNHNYILTINDTKYMIRVPKKNHESLGLQHEHEKKILTL--VSDLDVPTVLFDEKEGIKVTHYIEDV-KTFNECKDKDKFARCANLMKSLHTKKAPL-FIFNPFGKIEFYKSQIKECI-----VSFPNEENFLEALKKE-YKPNTLCHNDFVQGNILYSD-TKDYLIDYEYAAKNDYRFDIASFFSENNIHYIDQRDQFYQTYFDG-EIDPMIDVQVQAFERMEDILWGYWANMLYEQRGEQIYFDIAKDKEKHYRG 4R78 Chain:A ((38-297)) -------------EVLSVEQL-GGMTNQNYLAKTTNKQYIVKFFGKGTEKL-INRQDEKYNLELLKDLGLDVKNYLFDIEAGIKVNEYIESAITLDST-SIKTKFDKIAPILQTIHTSAKELRGEFAPFEEIKKYESLIEEQIPYANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFTSQEE-ETFLSHYESDQTP--VSHEKIAIYKILQDTIWSLWTVYKEEQ--GEDFGDYGVNRYQRAV-

General information: TITO was launched using: RESULT: Template: 4R78.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 : 1128 25429 22.54 102.54 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 22.54 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.344

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: