Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLSSLGFVRPIFLIIIIILVSLPMGFYGMYLYIAPTLPEMSSLKKAPLLKPLQVYTADNQLIAEYGG-KLSIPVEYKQIPPNFIHAFLAAEDSSFFEHSGISFKGLGRALSESVTGSDVQTGGSTITMQVAKNYYLSPERTLKRKLTEIFLARKIEQNLSKEDILSLYVNKIFLGKNAYGIAAAAKIYYNKSINELSIAQMAMIAGLPKAPSKYNPVVNPERTLERRNWILGRMLQLGYISQAEYQKAVAEPINLNMPN----------RDLNNIHPYAGEMVRSELVKHFG--E----QAIDSGYKVYTTINAKRQAIAEKAVQDGLEAYDRRHGWRGAEAHDKPLSEFRAYANTYPAQVTKVNSSSFEALMQDGSTVTVQWSGMSWARPYRNANSVGAAPSRASQIVKVKDIVRLRPNEAKTAWSLVQVPKVQGQLIAINPNDGSIEAIVGGYNFYQS-KFNRALQGWRQPGSTIKPFL-YALALERG-MTPYSMVNDSP-ITIGKWTPKNSDGRYLGMIPLRRALYLSRNTVSVRLLQTV----GIERTRQLFMDFGLQEDQIPRNYTIALGT--PQVLPIQMATGYATFANGGYRVQPHFIQRIEDAYGKVIYEAKPEYACIPCINAPETTDDAQVTTPDDQVVEVTNKELEQKEKATKQLNLKQTDKNNSQYRQAQRILKSSSAYDMANILRDVIE-HGTGRAALKIGRSDLGGKTGTT--------------NDAKDAWFAGFNGKLVTVTWVGFDQPTTLGR----REYGGIAALPIWINFMGQALQGTPAAWVRLEKDAQAPISRDKQEVTTEVGDKKTYRAAPPLARPLYRPAPPQPKTTNNDFDDLPGEEIVIPSKTTPPAMKPSQGAAPKREKDELENLINQIE 3DWK Chain:C ((4-615)) -------------------------------------------------DPIPAKIYDKNGELVKTLDNGQRHEHVNLKDVPKSMKDAVLATEDNRFYEHGALDYKRLFGAIGKNLTGGFGSEGASTLTQQVVKDAFLSQHKSIGRKAQEAYLSYRLEQEYSKDDIFQVYLNKIYYSDGVTGIKAAAKYYFNKDLKDLNLAEEAYLAGLPQVPNNYNIYDHPKAAEDRKNTVLYLMHYHKRITDKQWEDAKKIDLKANLVNRTPEERQNIDTNQDSEYNSYVNFVKSELMNNKAFKDENLGNVLQSGIKIYTNMDKDVQKTLQNDVDNGSFY---------------------------------------------------------------------------------------------------KNKDQQVGATILDSKTGGLVAISGGRDFKDVVNRNQAT-DPHPTGSSLKPFLAYGPAIENMKWATNHAIQDESSYQVDGSTFRNYDTKSHGTVSIYDALRQSFNIPALKAWQSVKQNAGNDAPKKFAAKLGLNYE-GDIGPSEVLGGSASEFSPTQLASAFAAIANGGTYNNAHSIQKVVTRDGETIEYD-HTS---------------------------------------------------------HKAMSDYTAYMLAEMLKGTFKPYGSAYGHGVS-GVNMGAKTGTGTYGAETYSQYNLPDNAAKDVWINGFTPQYTMSVWMGFSKVKQYGENSFVGHSQQEYPQFLYENVMSKISSR-----DG--EDFKRPSSV--------SGSIPSINVSGSQ-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3DWK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 3244 150659 46.44 266.18 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.68 3D Compatibility (PKB) : 46.44 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_3DWK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DWK-query.scw PDB file : Tito_Scwrl_3DWK.pdb: