Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNWYRLTVEDVLKNYQTS-TEGLSQEERQKRLTDQGYNEIKARQQTKRWKKIAKHFTDLLMIVLIIASFLKFASSEYIEGS-------IILFVVIVNGLVSYWQERKAEESLNGLKQL---MGQEAIVLSNGMQEKIPAKELVKGDVIVLRAGDVVPADIRL--IEAHDLLVEESILTGESEASEKSHAVLTEEESIG-DQKNMGFSGTLVQSGSAVGVVVETGNTTEIGKINQALQSVEQQTTPLIKKINRLNKQIFQ--GILCLSLFLVIFTTFR---YGMDWH----ILLSATIALVVSMVPEGLPAVLTMILSVGVHEMAKEKAIIKGLPSVETLGSMTVICSDKTGTLTKNEMTVVDV----AAKEEACVLS--------------IMKN---------------------CQE--LKTKEEQKTENLSGNPTEVAL--------IRHTETANLP--------------LKKIEAKIPFSSEYKYMATMHAEEK------GAVIYVKGAPEVLFAKST----------LSSAEQEAWSQTAAEF--ARKGQRVLGFAYKKVDSKQE--------LTHETLTQLTFAGIAGLIDPPKESAVKAVKECQQAGISVKMITGDHKDTAKAIAEQIGL-----KHTAKVLEGIDLDLMSDEELIQQVPIVDVFARTTPEHKLRIVKALQKNGEIVGMTGDGVNDAPALKRSDVGIAMGIKGSEVSKQAADMVLGDDNFHTIAKAVKEGRRILDNLQKTINFFLPTALAQGLILIWALMLNRPLPLSPVQILWVNMVTTITLSYALGFESPDPEIMKRPPRDPKQGILSGYHLFRIIYVSLLIMVPAYLLAMQFEGQSLQQTILLQNIVLAQAVYMINCRELSKPSLNQGLLQNKALFLSLGILALLQGMVIFLPVGQQLIGTVSLTMTQQLLIGANVILLFLVVEIEKGIMNKLFRKKEKTAREYSR 4H1W Chain:A ((8-843)) ------STEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFE---TAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQ-RIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMG-SGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAI---------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4H1W.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 : 3365 79005 23.48 111.27 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 23.48 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_4H1W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4H1W-query.scw PDB file : Tito_Scwrl_4H1W.pdb: