Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMILQVNQLSKSFGADTILNNIKLEVRNRDRIAIVGRNGAGKSTLLKIIAGQLSYEKGEIIKPKDITMGYLAQHTGLDSKLTIKEELLTVFDHLKAMEKEMRAMEEK-----MAAADPGELESIMKTYDRLQQEFKDKGGYQYEADVRSVLHGLGFSHFDDSTQVQSLSGGQKTRLALGKLLLTQPDLLILDEPTNHLDID---TLTWLEHYLQGYSGAILIVSHDRYFLDKVVNQVYEVSRAESKKYHGNYSAYLDQKAAQYEKDLKMYEKQQDEIAKLQDFVDRNLARASTTKRAQSRR--KQLERMDVMSKPLGDEKSANFHFDITKQSGNEVLRVQDLTISYENQPPLLTEVSFMLTRGESAALVGPNGIGKSTLLKTLIDTLKPDQGTISYGSNVSVGYYDQE-QAELTSSKRVLDELWDEYPGLPEKEIRTCLGNFLFSGDDVLKP----------VHSLSGGEKARLALAKLMLQKANFLILDEPTNHLDLDSKEVLENALIDY----PGTLLFVSHDRYFINRIATRVLELSSSHIEEYLGDYDYYTEKKTEQLELEKMNQQEETDKTPATVKSDSKRSYEEEKEWKKKERQRLRRIEEIETTVQTIEENISRNDELLCDPEVYQDHEKVQAIHADNEKLNQELESLLSEWEELSTEED 3J15 Chain:B ((106-529)) -------------------------------VGIVGPNGTGKTTAVKILAGQLI---PNLCEDNDSWDNVIRAFRG--------NELQNYFERLK--NGEIRPVVKPQYVDLLPKAVKGKVRELLKKVDEV-------GKFEEVVKELELENVL-------DRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIHVV--------YGEPGVY------------GIFSKPKGTRNGINEFLQGYLKDENVRFRPYEIRFTKLSERVDVERETLVE------YPRLVKDYGSFKLEVEPGEIR----------------KGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEW--DLTVAYKPQYIKAEYEGT---VYELLSK--------IDSSKLNSNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLI----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3J15.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 : 1857 -154443 -83.17 -387.07 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -83.17 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.355

(partial model without unconserved sides chains): PDB file : Tito_3J15.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J15-query.scw PDB file : Tito_Scwrl_3J15.pdb: