Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSYDYHQNWGRDGGPRSSGGGYGGGPAGGHGGNRGSGGGGGGGGGGRGGRGRHPGHLKGREIGMWYAKKQGQKNKEAERQERAVVHMDERREEQIVQLLNSVQAKNDKESEAQISWFAPEDHGYGTEVSTKNTPCSENKLDIQEKKLINQEKKMFRIRNRSYIDRDSEYLLQENEPDGTLDQKLLEDLQKKKNDLRYIEMQHFREKLPSYGMQKELVNLIDNHQVTVISGETGCGKTTQVTQFILDNYIERGKGSACRIVCTQPRRISAISVAERVAAERAESCGSGNSTGYQIRLQSRLPRKQGSILYCTTGIILQWLQSDPYLSSVSHIVLDEIHERNLQSDVLMTVVKDLLNFRSDLKVILMSATLNAEKFSEYFGNCPMIHIPGFTFPVVEYLLEDVIEKIRYVPEQKEHRSQFKRGFMQGHVNRQEKEEKEAIYKERWPDYVRELRRRYSASTVDVIEMMEDDKV-DLNLIVALIRYIVLEEEDGAILVFLPGWDNISTLHDLLMSQVMFKS----DKFLIIPLHSLMPTVNQTQVFKRTPPGVRKIVIATNIAETSITIDDVVYVIDGGKIKETHFDTQNNISTMSAEWVSKANAKQRKGRAGRVQPGHCYHLYNGLRASLLDDYQLPEILRTPLEELCLQIKILRLGGIAYFLSRLMDPPSNEAVLLSIRHLMELNALDKQEELTPLGVHLARLPVEPHIGKMILFGALFCCLDPVLTIAASLSFKDPFVIPLGKEKIADARRKELAKDTRSDHLTVVNAFEGWEEARRRGFRYEKDYCWEYFLSSNTLQMLHNMKGQFAEHLLGAGFVSSRNPKDPESNINSDNEKIIKAVICAGLYPKVAKIRLNLGKKRKMVKVYTKT--DG-LVAVHPKSVNVEQTDFHYNWLIYHLKMRTSSIYLYDCTEVSPYCLLFFGGDISIQKDNDQETIAVDEWIVFQSPARIAHLVKELRKELDILLQEKIESPHPVDWNDTKSRDCAVLSAIIDLIKTQEKATPRNFPPRFQDGYYS 5N96 Chain:A ((52-909)) ----------------------------------------------------------------------------------------------IRLGCNVSAPSGVLERVKELM----EDYS--------RAP---------DAKFQQQFRHLLSVNFEEFVAETKERNADLDWVNPKLDERLQLELGQRQLEENAKKRLEARKKLPTMKYADDIIQAVRENQVILIVGSTGCGKTTQVPQILLDDAISRGCASSCRIICTQPRRISAIAIAEWVSYERCESLG--NSVGYQIRLESRKARERASITYCTTGVLLQQLQSDPLMHNLSVLILDEIHERSVETDLLMGLLKVILPHRPDLKVILMSATVREQDFCDYFNNCPMFRIEGVMFPVKMLYLEDVLSKTNY---------EFQK---------------RMKHEAMIEPYLRRIRNSYDSRVLDKLRLPESEGCEDIDFIADLVYYICENEPEGAILVFLPGYDKISQLYNILDKPKTSKGQRWRDHMAVFPLHSLMQSGEQQAVFRRPPAGQRKVIISTIIAETSVTIDDVVYVINSGRTKATNYDIETNIQSLDEVWVTKANTQQRRGRAGRVRPGICYNLFSRAREDRMDDIPTPEILRSKLESIILSLKLLHIDDPYRFLQTLINAPNPEAIKMGVELLKRIEALDQTGTLTPLGMHLAKLPIDPQMGKMILMSALFCCLDPITSAAAALSFKSPFYSPLGKESRVDEIKRRMARNMRSDHLMVHNTIIAYRDSRYS--HAERDFCYKNFLSSMTLQQLERMKNQFSELLYNYKFLASSNCKDAASNKNSEKIPLLRAIIGAGLYPNMAHLRKSR------RAIHTMATDDGRRVNFHPSSVNSGESGFDSAYFVYFQRQKSTDLFLLDSTMVFPMALIIFGDGVEAGVTQNTPYLCVAKTYYFKCNRETADVVIQLRSNLEKLLLKKALYPAPIEEN--------------------------------------

General information: TITO was launched using: RESULT: Template: 5N96.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 : 4324 -194809 -45.05 -237.28 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -45.05 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_5N96.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5n96-query.scw PDB file : Tito_Scwrl_5N96.pdb: