Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------MSYDYHQNWGRDGGPRSSGGGYGGGPAGGHGGNRGSGGGGGGGGGGRGGRGRHPGHLKGREIGMWYA-----KKQGQKNKEAERQERAVVHMDERREEQIVQLLNSVQAKNDKESEAQISWFAPEDHGYGTEVSTKNTPCSENKLDIQEKKLINQEKKMFRIRNRSYIDRDSEYLLQENEPDGTLDQKLLEDLQKKKNDLRYIEMQHFREKLPSYGMQKELVNLIDNHQVTVISGETGCGKTTQVTQFILDNYIERGKGSACRIVCTQPRRISAISVAERVAAERAESCGSGNSTGYQIRLQSRLPRKQGSILYCTTGIILQWLQSDPYLSSVSHIVLDEIHERNLQSDVLMTVVKDLLNFRSDLKVILMSATLNAEKFSEYFGNCPMIHIPGFTFPVVEYLLEDVIEKIRYVPEQKEHRSQFKRGFMQGHVNRQEKEEKEAIYKERWPDYVRELRRRYSASTVDVIEMMEDDKVDLNLIVALIRYIVLEEEDGAILVFLPGWDNISTLHDLLMSQVMF-KSDKFLIIPLHSLMPTVNQTQVFKRTPPGVRKIVIATNIAETSITIDDVVYVIDGGKIKETHFDTQNNISTMSAEWVSKANAKQRKGRAGRVQPGHCYHLYNGLRASLLDDYQLPEILRTPLEELCLQIKILRLGGIAYFLSRLMDPPSNEAVLLSIRHLMELNALDKQEELTPLGVHLARLPVEPHIGKMILFGALFCCLDPVLTIAA-SLSFKDPFVIPLGKEKIADARRKELAKDTRSDHLTVVNAFEGWEEARRRGFRYEKDYCWEYFLSSNTLQMLHNMKGQFAEHLLGAGFVSSR-NPKDPESNINSDNEKI--IKAVICAGLYPKVAKIRLNLGKKRKMVKVYTKTDGLVAVHPKSVNVE--QTDFHYNWLIYHLKMRTSSIYLYDCTEVSPYCLLFFGGD-ISIQKDNDQETIAVDEWIVFQSPARIAHLVKELRKELDILLQEKIESPHPVDWNDTKSRDCAVLSAIIDLIKTQEKATPRNFPPRFQDGYYS 5AOR Chain:A ((119-1158)) LGEAYRPLEQRDMNEAEAFDVNAAIHGNWTIENAKERLNIYKQTNNIRDDYKYTPVGPEHARSFLAELSIYVPALNRTVTARESGSNKKSASKSCALSLVRQLFHLNVIEPFSGTLKKDEQLKPYPVKLSPNLINKIDEVIKGLDLPVVNPRNIKI------------ELDGPPIPLIVNLSRI-ESSVIPWAPPQANWNTWHACNIDEGELATTSIDDLSMDYER-SLRDRRQNDNEYRQFLEFREKLPIAAMRSEILTAINDNPVVIIRGNTGCGKTTQIAQYILDDYICSGQGGYANIYVTQPRRISAISVAERVARERCEQ--LGDTVGYSVRFESVFPRPYGAILFCTVGVLLRKLEAG--LRGVSHIIVDEIHERDVNSDFLLVILRDMVDTYPDLHVILMSATIDTTKFSKYFGICPVLEVPGRAFPVQQFFLEDIIQMTDFVP-SAESRRKRKEVEDEEQLLSEDKDEAE-------INYNKVCEDKYSQKTRNAMAMLSESDVSFELLEALLMHIKSKNIPGAILVFLPGWNLIFALMKFLQNTNIFGDTSQYQILPCHSQIPRDEQRKVFEPVPEGVTKIILSTNIAETSITIDDIVFVIDICKARMKLFTSHNNLTSYATVWASKTNLEQRKGRAGRVRPGFCFTLCSRARFQALEDNLTPEMFRTPLHEMALTIKLLRLGSIHHFLSKALEPPPVDAVIEAEVLLREMRCLDANDELTPLGRLLARLPIEPRLGKMMVLGAVFGCADLMAIMASYSSTFSEVFSLDIGQRRLA-NHQKALSGTKCSDHVAMIVASQMWRREKQRGEHMEARFCDWKGLQMSTMNVIWDAKQQLLDLLQQAGFPEECMISHEVDERIDGDDPVLDVSLALLCLGLYP-------NICVHKEKRKVLTTESKAALLHKTSVNCSNLAVTFPYPFFVFGEKIRTRAVSCKQLSMVSPLQVILFGSRKIDLAANN---IVRVDNWLNFDIEPELAAKIGALKPALEDLITVACDNPSDIL------RLEEPYAQLVKVVKDLCVKSAGDFGLQR------

General information: TITO was launched using: RESULT: Template: 5AOR.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 : 5222 111621 21.38 116.39 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 21.38 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_5AOR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5aor-query.scw PDB file : Tito_Scwrl_5AOR.pdb: