Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLSSLGFVRPIFLIIIIILVSLPMGFYGMYLYIAPTLPEMSSLKKAPLLKPLQVYTADNQLIAEYGGKLSIPVEYKQIPPNFIHAFLAAEDSSFFEHSGISFKGLGRALSESVTGSDVQTGGSTITMQVAKNYYLSPERTLKRKLTEIFLARKIEQNLSKEDILSLYVNKIFLGKNAYGIAAAAKIYYNKSINELSIAQMAMIAGLPKAPSKYNPVVNPERTLERRNWILGRMLQLGYISQAEYQKAVAEPINLNMPNRDLNNIHPYAGEMVRSELVKHFGEQ-AIDSGYKVYTTINAKRQAIAEKAVQDGLEAYDRRHGWRG----------AEAHDKPLSEFRAYANT---YPAQVTKVNSSSFEALMQDGSTVTVQWSGMSWARPYRNANSVGAAPSRASQIVKVKDIVRLRPNEAKTAWSLVQVPKVQGQLIAINPNDGSIEAIVGGYNFYQSKFNRALQGWRQPGSTIKPFLYALALERGMTPYSMVNDSPITIGK-----WTPKNSDGRYLGMIPLRRALYLSRNTVSVRLLQTVGIERTRQLFMDFGLQEDQIPRNYTIALGTPQVLPIQMATGYATFANGGYRVQPHFIQRIEDAYGKVIYEAKPEYACIPCINAP----ET--------TDDAQVTTPDDQVVEVTNKELEQKEKATKQLNLKQTDKNNSQYRQAQRILKSSSAYDMANILRDVI--EHG------TGRAALKIGRSDLGGKTGTTNDAKDAWFAGFNGKLVTVTWVGF-DQPTTLGRREYGGIAALPIWINFMGQALQGTPAAWVRLEKDAQAPISRDKQEVTTEVGDKKTYRAAPPLARPLYRPAPPQPKTTNNDFDDLPGEEIVIPSKTTPPAMKPSQGAAPKREKDELENLINQIE 5U2G Chain:A ((14-762)) ---------------------------------------------KTVELQQPMQIYTADGKLIGEVGEQRRIPVKLADVPQRLIDAFLATEDSR-----------------------------------------------------------------NKQEILELYLNKIFLGYRSYGVAAAAQTYFGKSLNELTLSEMAIIAGLPKAPSTMNPLYSLKRSEERRNVVLSRMLDEKYISKEEYDAALKEPIVAS----KFEFRADYVTEMVRQEMVRRFGEENAYTSGYKVFTTVLSKDQAEAQKAVRNNLIDYDMRHGYRGGAPLWQKNEAAWDNDRIVGFLRKLPDSEPFIPAAVIGIVKGGADILLASGEKMTLSTNAMRW--------------TGRSNPVKVGEQIWIH-QRANGEWQLGQIPAANSALVSLNSDNGAIEAVVGGFSYEQSKFNRATQSLVQVGSSIKPFIYAAALEKGLTLSSVLQDSPISIQKPGQKMWQPKNSPDRYDGPMRLRVGLGQSKNIIAIRAIQTAGIDFTAEFLQRFGFKRDQYFASEALALGAASFTPLEMARAYAVFDNGGFLIEPYIIEKIQDNTGKDLFIANPKIACIECNDIPVIYGETKDKINGFA---------------------------------------SSKIEYAPRVISGELAFLIRSALNTAIYGEQGLDWKGTSWRIAQSIKRSDIGGKTGTTNSSKVAWYAGFGANLVTTTYVGFDDNKRVLGRGEAGAKTAMPAWITYMKTALSDKP--------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5U2G.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 : 3055 -58974 -19.30 -100.81 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -19.30 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_5U2G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5U2G-query.scw PDB file : Tito_Scwrl_5U2G.pdb: