Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIKEYDYIIIGAGSAGNVLAARLTEDKDTTVLLLEAG--------GPDYRLDFRTQMPAALAYPLQGRRYNWAYLT----DPEPHMNNRRMECGRGKGLGGSSLINGMCYIRGNAMDLEQWATHKGLENWTYADCLPYYKKAE-TRDIGGNDYHGDSGPVSVATPKNGNNVLFH-AMVEAGVQAGYPRTDDLNGYQQEGFGPMDRTVTPKGR-RSSTARGYLDMA-KGRPNLTILTHATTNKILFNQKQAIGVEYIIGADQNNLQRALVKREVLLCAGAIASPQILQRSGVGQSTFLKSMDIDVVHDLPGVGENLQDHLEMYLQYKCKQPVSLYPALKWYNQPAIGAEWLFNGTGIGASNQFEAGGFIRSSDEFKWPNIQYHFLPVAINYNGSNAVKEHGFQAHVGSMRSPSR-GRIKLKSKDPFAHPSILFNYMSTEQDWREFRDAIRITREIMHQPALDPY-------RGDEISPG-----KHLQTDAELDDFVRNHAETAYHPSCSCKMG--EDEMAVVDGQGRVHGMNGLRVVDASIMPLIITGNLNATTIMIAEKIADQIRGREALPRSTAPFYVAS 4UDR Chain:B ((5-527)) ----IFDYVIVGGGTAGSVLANRLSARPENRVLLIEAGIDTPENNIPPEIHDGLRPWLPR-----LSGDKFFWPNLTIHRAAEHPGITREPQFYEQGRLLGGGSSVNMVVSNRGLPRDYDEWQA-LGADGWDWQGVLPYFIKTERDADYGDDPLHGNAGPIPIGRVDSRHWSDFTVAATQALEAAGLPNIHDQNARFDDGYFPPAFTL--KGEERFSAARGYLDASVRVRPNLSLWTESRVLKLLTTGNAITGVSVLRGRETLQVQ----AREVILTAGALQSPAILLRTGIGPAADLHALGIPVLADRPGVGRNLWEHSSIGVVAPLTE--------QARADASTGKAGSRHQLGIRASSGVDPA---TPSDLF------LHI--------GADPVS--GLASAVFWVNKPSSTGWLKLKDADPFSYPDVDFNLLSDPRDLGRLKAGLRLITHYFAAPSLAKYGLALALSRFAAPQPGGPLLNDLLQDEAALERYLRTNVGGVWAASGTARIGRADDSQAVVDKAGRVYGVTGLRVADASIMPTVPTANTNLPTLMLAEKIADAI-----------------

General information: TITO was launched using: RESULT: Template: 4UDR.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 : 2943 20976 7.13 42.63 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 7.13 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_4UDR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UDR-query.scw PDB file : Tito_Scwrl_4UDR.pdb: