Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLSSLGFVRPIFLIIIIILVSLPMGFYGMYLYIAPTLPEMSSLKKAPLLKPLQVYTADNQLIAEYGGKLSIPVEYKQIPPNFIHAFLAAEDSSFFEHSGISFKGLGRALSESVTGSDVQTGGSTITMQVAKNYYLSPERTLKRKLTEIFLARKIEQNLSKEDILSLYVNKIFLGKNAYGIAAAAKIYYNKSINELSIAQMAMIAGLPKAPSKYNPVVNPERTLERRNWILGRMLQLGYISQAEYQKAVAEPINLNMPNRDLNNIHPYAGEMVRSELVKHFGEQA---IDSGYKVYTTINAKRQAIAEKAVQDGLEAYDRRHGWRGAEAHDKPLSEFRAYANTYPAQVTKVNSSSFEALMQDGSTVTVQWSGMSWARPYRNANSVGAAPSRASQIVKVKDIVRLRPNEAKTAWSLVQVPKVQGQLIAINPNDGSIEAIVGGYNFYQSKFNRALQGWRQPGSTIKPFLYALALERGMTPYSMVNDSPITIGKWTPKNSDGRYLGMIPLRRALYLSRNTVSVRLLQTV--GIERTRQLFMDFGLQEDQ--I-----------PRNYTIALGTPQVLPIQMATGYATFANGGYRVQPHFIQRIEDAYGKVIYEAKPEYACIPCINAPETTDDAQVTTPDDQVVEVTNKELEQKEKATKQLNLKQTDKNNSQYRQAQRILKSSSAYDMANILRDVIEHGTGRAALKIGRSDLGGKTGTTN-----DAKDAWFAGFNGKLVTVTWVGFDQPT-TL----GRREYGGIAALPIWINFMGQALQGTPAAWVRLEKDAQAPISRDKQEVTTEVGDKKTYRAAPPLARPLYRPAPPQPKTTNNDFDDLPGEEIVIPSKTTPPAMKPSQGAAPKREKDELENLINQIE 5CRF Chain:B ((5-372)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GLIERQVTRELLELFNIDEQTLNTQGLVVTTTIDPQAQRAAEKAVAKYLDGQ---------------------------------------------------------------------------------------------------DPDMRAAVVSIDPHNGAVRAYYGGDNAN--GFDFA-QAGLQTGSSFKVFALVAALEQGIGLGYQVDSSPLTVDGIKITNVE-EGCGTCNIAEALKMSLNTSYYRLMLKLNGGPQAVADAAHQAGIASSFPGVAHTLSEDGKGGPPNNGIVLGQYQTRVIDMASAYATLAASGIYHPPHFVQKVVSANGQVLFDASTADN------------------------------------------------------TGDQRIPKAVADNVTAAMEPIAGYSRGHNLA--GGRDSAAKTGTTQFGDTTANKDAWMVGYTPSLSTAVWVGTVKGDEPLVTASGAAIYGSGLPSDIWKATMDGALKGT----SN--ETFPKPTEV----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5CRF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1899 21648 11.40 64.24 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : 11.40 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_5CRF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CRF-query.scw PDB file : Tito_Scwrl_5CRF.pdb: