Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------MDFNCDLVWMNSMSALLRFTQFVQKTFAL-WVIIFAALAL--------------WQPEFFVWLKAYIPWILGIIMLGMGMTMTVDDFKG----VLQSPKAVLIG----VVAQFVVMPGLAFILCKLFN--LPPEIAVGVILVGCCP------GGTASNVIT---------YMAKGNVALSVAC-----TSVSTLLAPVLTPAIFY-------------LLASQWLKIDAASMFISILQVVLLPIVIGLILRTWLKRQVE------------------SYIQVMPLVSVIAIVAIVAAIIGGSKAAILQSGLLILAVVILHNGLGY---------LLGFAAARFFKLPYADSKAIAV----EVGMQNSGLGVALAAVHFA---------ASPITAVPSAIFSLWHNISGPALATYWASKHKQE-- 1HBN Chain:B ((1-442)) AKFEDKVDLYDDRGNLVEEQVPLEALSPLRNPAIKSIVQGIKRTVAVNLEGIENALKTAKVGGPACKIMGRELDLDIVGNAESIAAAAKEMIQVTEDDDTNVELLGGGKRALVQVPSARFDVAAEYSAAPLVTATAFVQAIINEFDVSMYDANMVKAAVLGRYPQSVEYMGANIATMLDIPQKLEGPGYALRNIMVNHVVAATLKNTLQAAALSTILEQTAMFEMGDAVGAFERMHLLGLAYQGMNADNLVFDLVKANGKEGTVGSVIADLVERALEDGVIKVEKELTDYKVYGTDDLAMWNAYAAAGLMAATMVNQGAARAAQGVSSTLLYYNDLIEFETGLPSVDFGKVEGTAVGFSFFSHSIYGGGGPGIFNGNHIVTRHSKGFAIPCVAAAMALDAGTQMFSPEATSGLIKEVFSQVDEFREPLKYVVEAAAEIKNEI

General information: TITO was launched using: RESULT: Template: 1HBN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1479 -141358 -95.58 -436.29 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -95.58 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_1HBN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HBN-query.scw PDB file : Tito_Scwrl_1HBN.pdb: