Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLSSLGFVRPIFLIIIIILVSLPMGFYGMYLYIAPTLPEMSSLKKAPLLKPLQVYTADNQLIAEYGGKLSIPVEYKQIPPNFIHAFLAAEDSSFFEHSGISFKGLGRALSESVTGSDVQTGGSTITMQVAKNYYLSPERTLKRKLTEIFLARKIEQNLSKEDILSLYVNKIFLGKNAYGIAAAAKIYYNKSINELSIAQMAMIAGLPKAPSKYNPVVNPERTLERRNWILGRMLQLGYISQAEYQKAVAEPINLNMPNRDLNNIHPYAGEMVRSELVKHFGEQA-IDSGYKVYTTINAKRQAIAEKAVQDGLEAYDRRHGWRGAEAHDKPLSEF----RAY-----A----NTYPAQVTKVNSSSFEALMQDGSTVTVQWSGMSWARPYRNANSVGAAPSRASQIVKVKDIVRLRPNEAKTAWSLVQVPKVQGQLIAINPNDGSIEAIVGGYNFYQSKFNRALQGWRQPGSTIKPFLYALALERGMTPYSMVNDSPITIG-----KWTPKNSDGRYLGMIPLRRALYLSRNTVSVRLLQTVGIERTRQLFMDFGLQEDQIPRNYTIALGTPQVLPIQMATGYATFANGGYRVQPHFIQRIEDAYGKVIYEAKPEYACIPCINAPETTDD-------AQVTTPDDQVVEVTNKELEQKEKATKQLNLKQTDKNNSQYRQAQRILKSSSAYDMANILRDVIEH-------GTGRAAL-KIGRSDLGGKTGTTNDAKDAWFAGFNGKLVTVTWVGFDQPTTL-GRREYGGIAALPIWINFMGQALQGTPAAWVRLEKDAQAPISRDKQEVTTEVGDKKTYRAAPPLARPLYRPAPPQPKTTNNDFDDLPGEEIVIPSKTTPPAMKPSQGAAPKREKDELENLINQIE 5U2G Chain:B ((14-805)) ---------------------------------------------KTVELQQPMQIYTADGKLIGEVGEQRRIPVKLADVPQRLIDAFLATEDSR-----------------------------------------------------------------NKQEILELYLNKIFLGYRSYGVAAAAQTYFGKSLNELTLSEMAIIAGLPKAPSTMNPLYSLKRSEERRNVVLSRMLDEKYISKEEYDAALKEPIVASY--AKFEFRADYVTEMVRQEMVRRFGEENAYTSGYKVFTTVLSKDQAEAQKAVRNNLIDYDMRHGYRGGAPLWQKNEAAWDNDRIVGFLRKLPDSEPFIPAAVIGIVKGGADILLASGEKMTLSTNAMRWTG--RS------------NPVKVGEQIW-IHQRANGEWQLGQIPAANSALVSLNSDNGAIEAVVGGFSYEQSKFNRATQSLVQVGSSIKPFIYAAALEKGLTLSSVLQDSPISIQKPGQKMWQPKNSPDRYDGPMRLRVGLGQSKNIIAIRAIQTAGIDFTAEFLQRFGFKRDQYFASEALALGAASFTPLEMARAYAVFDNGGFLIEPYIIEKIQDNTGKDLFIANPKIACIECNDIPVIYGETKDKINGFA-------------------------------S---SKIEYAPRVISGELAFLIRSALNTAIYGEQGLDWKGTSWRIAQSIKRSDIGGKTGTTNSSKVAWYAGFGANLVTTTYVGFDDNKRVLGRGEAGAKTA-PAWITY-KTALSDK----PE--RKLSLPPKIVEKNIDTLTGLLSPN-----GGRKEYFIAGTEPTRTYL--------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 3520 -8388 -2.38 -13.25 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -2.38 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.425

(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: