Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTEQTPWWKKAVVYQIYPKSFNDTTGNGVGDLNGIIEKLDYLKTLQVDVLWLTPIYDSPQHDNGYDIRDYYSIYPEYGTMEDFERLVSEAHKRDLKVVMDLVVNHTSTEHKWFREAISSIDSPYRDFYIWKKPQENGSVPTNWESKFGGSAWELDEASGQYYLHLFDVTQADLNWENEEVRKHVYDMMHFWFEKGIDGFRLDVINLISKDQRF---PNAEEGDGRSF-------YT--------DGPRVHEFLHEMNEKVFSHYDSMTVGEMS-STTVDHCIRYTNPDNKELDMTFSFHHLKVDYPNGEKWALAPFDFLKLKEILSDWQTGMHAGGGWNALFWCNHDQPRVVSRYGDDGAYRVKSAKMLATAIHMMQGTPYIYQGEELGMTNPKFTDISSYRDVESLNMYHAFKEKGMADQDITAILQAKSRDNSRTPVQWDATENGGFTTGTPWIPVAGNYREINAEAALRDQNSVFYHYQKLIQIRKMYDIVTEGTYEIIAKDDPNIFAYLRHGSNEKLLVINNFYGTEAAFTLPDSLAPDEWKAEVLLTNDEAREGLQNMTLRPYESIVYRLTKPC 3WY3 Chain:B ((7-538)) -------WWRGGVIYQIYPRSFLDSRGDGVGDLNGITEKLDYVASLNVDGIWLSPFFTSPMLDFGYDVSDYRDVDPMFGTLEDFKALLEKAHSLGLKVMIDQVISHTSDQHPWFQESRQNRTNPKADWFVWADPKPDGTPPNNWLSIFGGSAWTFDSRRQQYYLHNFLTSQPDVNFHHPEARQAQLDNMRFWLDLGVDGFRLNTVNFYFHDAELRDNPPVPKGEAKTLGAPEANPYTWQRHVYDLSRPENLDFLKDLRALMDEYPGTTTVGEIGDDNPLERMAEYTAGGDK-LHMAYTFDLLNM-----------PHSASYLREVIERFQR--LAGDAWPCWATSNHDVVRSATRWGADEDPHAYPKVMLAV-LFSLRGSVCLYQGEELGLPEAD-VPFERIQDPYGKVLWPEF----------------KGRDGCRTPMPWTDGEQGGFSPVEPWLPMEARHLELAVSRQQDDPNATLNTVRALLAFRRSHPALFDGDLSLVDVGD-DLLGFTRQKGDETLLCVFNLTGQEQQTTLPVEVASDLPVAHFTATRDGS-----TLTLPAYQAAFMQVA---

General information: TITO was launched using: RESULT: Template: 3WY3.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 : 3047 -212756 -69.82 -414.73 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -69.82 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3WY3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WY3-query.scw PDB file : Tito_Scwrl_3WY3.pdb: