Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTYIVQTNGLTKTYQGKEVVSNVSMHIKKGEIYGFLGPNGAGKTTIMKMLTSLVKPTSGEIIILGNKFTHTSY---EVLGNIGSMIEYPIFYENLTAEENLDLHCEYMGYHNKKAIQEV-LDMVN----LKQIDKKPVKTFSLGMKQRLGIARAILTKPDLLILDEPVNGLDPLGIKKIRQLFQVLSKEYGMTLLISSHLLGEIEQIADTIGVIRDGRLLEEVSMEDV--RGQNTEYIELVTPNQTRACFVLEKELQLTNFKILNEKTIRIYEAEASQAAISKALILNDVDIESMNKKYTSLEDYFIKLINGNSISA 4YMW Chain:J ((4-237)) ------VNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIK-LSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE-GMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLS---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMW.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 : 1108 -119813 -108.13 -534.88 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain J : 0.72 3D Compatibility (PKB) : -108.13 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.497

(partial model without unconserved sides chains): PDB file : Tito_4YMW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMW-query.scw PDB file : Tito_Scwrl_4YMW.pdb: