Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSFEDRLMKKLWRNCHIATMQN--GQYSYIEDAAIVTEGHLIHWIGKQQQLPADTYSETVDLNDAWVTPGFIDCHTHSVFGGNRSVEFEKRLQGVSYAEIAASGGGIASTVRATREASEEQLLNSALKRIRRMQQDGVTTIEIKSGYGLNYENERKMLRVIRQIGEKLPMTVKSTCLAAHALPPEYKDQSDAYIEHICTEMLPKLHAEGLVDAVDAFCEHLAFSPAQVERVFKTAQSLGLPVKLHAEQLSSLGGSSLAARYHALSADHLEYMTEDDVKAMAASGTVAVLLPGAFYLLRETQYPPIESLIKHGVRIALSSDLNPGTSPALSLRLMLNMGSTLFRLTPEQALAGVTIHAAQALGLEQTHGSLEQGKVADFVAWDIEHPSEIVYWLGGD-LPKRVVQHGQEVIF 2OOF Chain:A ((6-406)) ---------ERVWLNVTPATLRSDLADYGLLEPHALGVHEGRIHALVPMQDLK--YPAHWQDMKGKLVTPGLIDCHTHLIFAGSRAEEFELRQKGVPYAEIARKGGGIISTVRATRAASEDQLFELALPRVKSLIREGVTTVEIKSGYGLTLEDELKMLRVARRLGEALPIRVKTTLLAAHAVPPEYRDDPDSWVETICQEIIPAAAEAGLADAVDVFCEHIGFSLAQTEQVYLAADQYGLAVKGHMDQLSNLGGSTLAANFGALSVDHLEYLDPEGIQALAHRGVVATLLPTAFYFLKETKLPPVVALRKAGVPMAVSSDINPGTAPIVSLRMAMNMACTLFGLTPVEAMAGVTRHAARALGEQEQLGQLRVGMLADFLVWNCGHPAELSYLIGVDQLVSRVV-NGEETL-

General information: TITO was launched using: RESULT: Template: 2OOF.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 : 2475 -18805 -7.60 -47.49 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -7.60 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_2OOF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OOF-query.scw PDB file : Tito_Scwrl_2OOF.pdb: