Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGLWSNNLTCGYDEKIILENINIKIPEEKISVIIGSNGCGKSTLIKTLSRLIKPL------EGEVLLDNKSINSYKEKDLAKHIAILPQSPIIPESITVADLVSRGRFPYRKPFKSLGKDDLEIINRSMVKANVEDLANNLVEELSGGQRQRVWIALALAQ-----DTSILLLDEPTTYLDISYQIELLDLLTDLNQKYKTTICMILHDINLTARYADYLFAIKEGKLVAEGKPEDILNDKLVKDIFNLEAKIIRDPISNSPLMIPIGKHHVNS 5B57 Chain:C ((1-272)) --MLTAHHLDVA--HGTILRDLSLSIEPGRVTALLGRNGAGKSTLLKTFAGELTGSVAGVRVTGDVTLNGEPLARIDAPRLACLRAVLPQAAQPAFPFSVDEIVLLGRYPHARRSGATSHRDRDIAWRALERAGADALVGRDVTTLSGGELARVQFARVLAQLWPDH-PRYLLLDEPTAALDLAHQHRLLDTVRAVAREWQLGVLAIVHDPNLAARHADAIAMLADGTIVAHGAPRDVMTPAHIAQCYGFAVKMVETG---PPVMVP--------

General information: TITO was launched using: RESULT: Template: 5B57.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1288 -40642 -31.55 -163.88 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -31.55 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.366

(partial model without unconserved sides chains): PDB file : Tito_5B57.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5B57-query.scw PDB file : Tito_Scwrl_5B57.pdb: