Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIILQANKIERSFAGEVLFDNINLQVDERDRIALVGKNGAGKSTLLKILVGEEEPTSGEINKKKDISLSYLAQDSRFESENTIYDEMLHVF--NDLRRTERQLRQMELE--MGEKSGEDLDKLMSDYDR-LSENFRQAGGFTYEADIRAILNGFKFDESMWQMKIAELSGGQNTRLALAKMLLEKPNLLVLDEPTNHLDIE---TIAWLENYLVNYSGALIIVSHDRYFLDKVATITLDLTKHSLDRYVGNYSRFVELKEQK--LVTEAKNYEKQQKEIAALEDFVNRNLVRASTTKRAQSRRKQLEKMERLDKPEAGKKSANMTFQSEKTSGNVVLTVENAAVGYDGEVLSQPINLDLRKMNAVAIVGPNGIGKSTFIKSIVDQIPFIKGEKRFGANVEVGY--------YDQTQSKLTPSNTVLDELWNDFKLTPEVEIRNRLGAFLFSGDDVKKSVGMLSGGEKARLLLAKLSMENNNFLILDEPTNHLDIDSKEVLENALIDF----DGTLLFVSHDRYFINRVATHVLELSENGSTLYLGDYDYYVEKKATAEMSQTEEASTSNQAKEASPVNDYQAQKESQKEVRKLMRQIESLEAEIEELESQSQAISEQMLETNDADKLMELQAELDKISHRQEEAMLEWEELSEQV 5LW7 Chain:B ((106-529)) -------------------------------VGIVGPNGTGKTTAVKILAGQLIPN--------------LCED------NDSWDNVIRAFRGNELQNYFERLKNGEIRPVVKPQYVDLLPKAVKGKVRELLKKVDEVGKFEEVVKELELEN-------VLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVI-----HVVYGEPGVYGIFSKPKGTRNGINEFLQGYLKDENV-----RFRPYEIRFTKLSERVDVERETLVEYPRL----------------VKDYGSFKLEVEPG---------------EIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEW--DLTVAYKPQYIKAEYEGTVYELL-SKIDSSKLNSNFYKT---ELLKPLGII----DLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLI--------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5LW7.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 : 1801 58500 32.48 145.52 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 32.48 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_5LW7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LW7-query.scw PDB file : Tito_Scwrl_5LW7.pdb: