Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTVSDVSLRFSDRKLFDDVNIKFTEGN-TYGLIGANGAGKSTFLKILAGDIEPTTGHISLGPDERLSVLRQNHFDYEDERAIDVVIMGNEKLYSIMKEKDAIYMKEDFSDEDGVRAAELEGEFAELGGWEAESEASQLLQNLNIPEELHYQNMSELANGEKVKVLLAKALFGKPDVLLLDEPTNGLDIQSITWLEDFLIDFDN---TVIVVSHDRHFLNKVCTHMADLDFGKIKLYVGNYDFWKESSELAAKLLADRNAKAEEKIKQLQEFVARFSANASKSRQATSRKKMLDKIELEEIVPSSRKYPFINFKAEREIGNDLLTVENLTVKIDGETILDNISFILRPDDKTALIGQNDIQTTALIR-AIMGDIDYEGTVKWGVTTSQSYLPKDNSADFAGGESILDWLRQFASKEEDDNTFLRGFLGRMLFSGDEVNKPVNVLSGGEKVRVMLSKLMLLKSNVLVLDDPTNHLDLESISSLNDGLKNF-KE---SIIFASHDHEF-IQTLANHI-IVLSKNGVIDR---I-D-ETY-DEFLENAEVQAKVKELWKD------------------------ 1YQT Chain:A ((24-538)) ---EEDCVHRYGVNAF-VLYRLPVVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRGNE--------------LQNYFEKLKNGEIRPVVKPQYVDLI--PKAVKGKVIELLKKADETGKLEEVVKALELEN-VLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDIIHVVYGEPGV---------YGIFSQPKGTRNGINEFLRGYLKDENVRFRPYEIKFTKTGERVEIER-----------------------------ETLVTYPRLVKDY-GSFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWDLT----VAYKPQYIKADYEGTVYELLSKIDASKLNSNFYKTELLKPLGI-IDLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHD-VLMIDYVSDRLMVFEGEPGKYGRALPPMGMREGMNRFLASIGITFRRDPDTGRPRANKEGSVKDREQKEKGEYYYIA

General information: TITO was launched using: RESULT: Template: 1YQT.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 : 2646 93422 35.31 197.09 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 35.31 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.307

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: