Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLSSLGFVRPIFLIIIIILVSLPMGFYGMYLYIAPTLPEMSSLKKAPLLKPLQVYTADNQLIAEYGGKLSIPVEYKQIPPNFIHAFLAAEDSSFFEHSGISFKGLGRALSESVTGSDVQTGGSTITMQVAKNYYLSPERTLKRKLTEIFLARKIEQNLSKEDILSLYVNKIFLGKNAYGIAAAAKIYYNKSINELSIAQMAMIAGLPKAPSKYNPVVNPERTLERRNWILGRMLQLGYISQAEYQKAVAEPINLNMPN-RDLNNIHPYAGEMVRSELVKHFGE--QA-IDSGYKVYTTINAKRQAIAEKAVQDGLEAYDRRHGWRGAEAHDKPLSEFRAYANTYPAQVTKVNSSSFEALMQDGSTVTVQWSGMSWARPYRNANSVGAAPSRASQIVKVKDIVRLRPNEAKTAWSLVQVPKVQGQLIAINPNDGSIEAIVGGYNFYQ-SKFNRALQGWRQPGSTIKPFL-YALALERGMTPYSMVNDSPITI-GKWTPKNSDGRYLGMIPLRRALYLSRNTVSVRLLQTVGIERTRQLFMDFGLQEDQIPRNYTIALGT--PQVLPIQMATGYATFANGGYRVQPHFIQRIEDAYGKVIYEAKPEYACIPCINAPETTDDAQVTTPDDQVVEVTNKELEQKEKATKQLNLKQTDKNNSQYRQAQRILKSSSAYDMANILRDVIEHGTGRAALKIGRSDLGGKTGTTN-------DAKDAWFAGFNGKLVTVTWVGFDQPTTLG-RREYGGIAALPIWINFMGQALQGTPAAWVRLEKDAQAPISRDKQEVTTEVGDKKTYRAAPPLARPLYRPAPPQPKTTNNDFDDLPGEEIVIPSKTTPPAMKPSQGAAPKREKDELENLINQIE 3ZG9 Chain:B ((9-464)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------KDEIMEMYLNRSYFGNGEWGVENASLKYFGKSAADLNIPEAATIAGLLQAPSAYDPYQHIDKATNRRNMVLNAMVETGTISKAEGDKYKATKIVLNDQSKDPLANKYPWYVDAVINEAVNEADITQDEIMQKGYKIYTELDQNYQTSLENVYNNDGLFPSN-------------------------------------------------------------------A---------------------------NDGTLVQSGAVLMDPATGGIRALVGGRGEHVFRGFNRATQMKAQPGSTMKPLAVYTPALQSGYDVDSMLKDEKITYKGNYTPTNVGGVYSGEVPMYKAVANSINAPAVWLLDQIGIDKGVKSVEKFGITVPEKDRTLGLALGGMSKGASPVEMATAYATFANNGAKPESHIITKIVDPSGNTVYENVPKT---------------------------------------------------------KQIISETVSNEMTSMLLDVINTGTGQSAAVS-GHEMAGKTGSTQVPFDDTSGTKDQWFVGYTPNLVGAVWMGYDKTDKEHYLTTTSSAGVSSLAHYVMNSGLQYQ---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZG9.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 : 2434 11653 4.79 26.54 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : 4.79 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_3ZG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZG9-query.scw PDB file : Tito_Scwrl_3ZG9.pdb: