Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEPILHIEGLDKKIGSKQILKQISMDVMEGEIIGLLGPNGSGKTTLIRIIVGLLKQNSGSVTISGFQHD---TEFEKAMEAVGAIVENPEFYPYLTGWENLK----HFANMHKKIADERLDEVVERVGLTSAIHDKVKTYSLGMRQRLGIAQAILHRPKLLILDEPTNGLDPAGMKDFRDHIKELAEMEGTAVLFATHLLREVEDLCDRVIIIQKGEIKAEVSLQGTDQTTEKAIIEVQPQEKALNWLTGNQYQAESQDGTIVVEVAKENIPELNRSLVGQDLNVFSITPYTQSLEDEFIKATTAHQEEGEELV 4YMU Chain:J ((1-217)) ----MIFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLAN-EGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEE---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1090 -141661 -129.96 -674.57 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain J : 0.72 3D Compatibility (PKB) : -129.96 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.530

(partial model without unconserved sides chains): PDB file : Tito_4YMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMU-query.scw PDB file : Tito_Scwrl_4YMU.pdb: