Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKEAVTVSNVTKHFQRKTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEI-----KLFNRVPDDQQVREKIGVMLQEVSVMPGLKVDEILELFRSYYPNPLSMKEL-------VSLTALTKEDLKTRAE----KLSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSDQGKTIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQIRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM 4YMT Chain:J ((2-230)) -----IFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITL------APVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNE-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMT.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 : 1107 -51572 -46.59 -242.12 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain J : 0.73 3D Compatibility (PKB) : -46.59 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_4YMT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMT-query.scw PDB file : Tito_Scwrl_4YMT.pdb: