Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCYGSMSCNPVEQRGEELKYMEKLIELYAQWAGEKP-STIEKLEGAGSNRVYYRFGNKSGQSVIAVIGTS---RDENHAFIYLTEHFTDK-QLPVPQILAVSDDELRYLQTDLGHTSLFDMLKSARDAGGRYTQKEKQLLTKTLQALSEMQVRGAVGLDFQQCYPQPEFNVESVL-FDLNYFKYCFLKATGIDFHELMLEANFRMFAKD-LTAEPAECFLYRDFQARNVMLDN-DGNPYFIDYQGGRKGPYYYDLASFLWQASAKYPFKLRRDLVSAYYESLKQYTEVPSSRHFVERLNLFVLFRTLQVLGAYGFRGYFERKKHFIQSIPAAMQNLRELIKLGEHVFPYPYMMSVLKEMTELPQFANKEERKVKRTDGFKITDNNIFKANPVDGPATFSKYDDKGELIVRVNSFSYHKGIPEDPTGNGGGYVFDCRSTHNPGRYEPYKNLTGLDEPVIRFLEDDGEILVFLESVYQLADRHVARYIERGFTSLIFSFGCTGGQHRSVYCAQHLAEHIHDKFGIEVRINHREQKIEQTLEAK 5IGH Chain:A ((6-256)) -----------------TADTSQLYALAAR-HGLKLHGPLTVNELGLDYRIVI-ATVDDGRRWVLRIPRRAEVSAKVEPEARVLAMLKNRLPFAVPDWRVANA--ELVAYPMLEDSTAMVIQPGSSTPDWVVPQDSEVFAESFATALAALHAVPISAAVDA---GMLIRTPTQARQKVADDVDR-VRREFV-V-NDKRLHR-WQRWLDDDSSWPDFSVVVHGDLYVGHVLIDNTERVSGMIDWSEARVDDPAIDMAAHLMVF----GEEGLAKLLLTYEAAGG------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IGH.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 : 964 -12686 -13.16 -52.20 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -13.16 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_5IGH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igh-query.scw PDB file : Tito_Scwrl_5IGH.pdb: