Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIAAQPPVQADQTVYLKDYQKPVFLVESINLDIQVYDDKTIVDSTLVMKRQTAGD--LVLLGRDLELQSIQLNGQDLTPAQYSLDSEQLVITDAPDEVILQTQVIIHPETNTQLEGLYKAGDLFVTQNEPEGFRKITFYPDRPDVLSVFTTRVEADK-KYPVLLANGNLLETGEVGENRHFAIWQDPTKKPSYLFACVIGDLAVLKDRYTTSEGREVALEIYAIEKDIPKCHIAMEALKHSMRWDEEHYGRAYDLDNYMIVAVSQFNMGAMENKGLNIFNTSCVLADEEYTTDAAIMRVQSVIAHEYFHNWTGNRITCRDWFQLCLKEGLTVFRDQSFSEDLQSAAVQRIDDVAVLKSHQFPEDAGPLSHPPRPDHFVEINNFYTATVYEKGAEINRMMSTLLGKEKFRQGTDEYFRRHDGQAVTVEDWVAALSAGSGVDLSAFLTWYNQPGTPKVEAKGEYDAAAQTYRLSFKQSLKAHPKYPNLKAVPIPVALALFNAKTGEQYTLQSESLFVNGVKDGVYLFDQDEATIEFTGVTEQPVVSLLRNFSAPVNLVFDYTDEELAFLIQHETNGFNQWQATQTLL--------------ERILLEDHSADAYIQAIQSTLPELVSRAPLLASRLFDVPTEGYLGSRIDQNYAPADIHVKREALLNRLAQELGSFWKDTYLTL-DPDLQKEFSLA---MGVRALKNIMLMMMARQGDQSAFELAYEQYQSTGNMSERLGALRVLVWQSAPQAQEALADFYNRFKDEALSLDQWFMIQAANPNATV-ETIEYLTQHPDYDLTTPNRIRAVSGGLSNNPENTW----GFGVAHFINLAEYLDEKNPILGSRLLQVLSRWYTLAEPQRTQVQQALQALQPKVKSKNVSETLNSMLSI 4XNB Chain:A ((2-848)) ------------QAKYRHDYRAPDYQITDIDLTFDLDAQKTVVTAVSQAVRHGASDAPLRLNGEDLKLVSVHINDEPWTA--WKEEEGALVISNLPERFTLKIINEISPAANTALEGLYQSGDALCTQCEAEGFRHITYYLDRPDVLARFTTKIIADKIKYPFLLSNGNRVAQGELENGRHWVQWQDPFPKPCYLFALVAGDFDVLRDTFTTRSGREVALELYVDRGNLDRAPWAMTSLKNSMKWDEERFGLEYDLDIYMIVAVDFFNMGAMENKGLNIFNSKYVLARTDTATDKDYLDIERVIGHEYFHNWTGNRVTCRDWFQLSLKEGLTVFRDQEFSSDLGSRAVNRINNVRTMRGLQFAEDASPMAHPIRPDMVIEMNNFYTLTVYEKGAEVIRMIHTLLGEENFQKGMQLYFERHDGSAATCDDFVQAMEDASNVDLSHFRRWYSQSGTPIVTVKDDYNPETEQYTLTISQRTPATPDQAEKQPLHIPFAIELYDNE-GKVIPLQKGGHPVNSVLN----VTQAEQTFVFDNVYFQPVPALLCEFSAPVKLEYKWSDQQLTFLMRHARNDFSRWDAAQSLLATYIKLNVARHQQGQPLSLPVHVADAFRAVL---LDEKID--PALAAEILTLPSVNEMAELFDI-IDPIAIAEVREALTRTLATELA----DELLAIYNANYQSEYRVEHEDIAKRTLRNACLRFLAFGETHLADVLVSKQFHEANNMTDALAALSAAVAAQLPCRDALMQEYDDKWHQNGLVMDKWFILQATSPAANVLETVRGLLQHRSFTMSNPNRIRSLIGAFAGSNPAAFHAEDGSGYLFLVEMLTDLNSRNPQVASRLIEPLIRLKRYDAKRQEKMRAALEQLK------------------

General information: TITO was launched using: RESULT: Template: 4XNB.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 : 4698 75278 16.02 91.69 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 16.02 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_4XNB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XNB-query.scw PDB file : Tito_Scwrl_4XNB.pdb: