Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIILQANKIERSFAGEVLFDNINLQVDERDRIALVGKNGAGKSTLLKILVGEEEPTSGEINKKKDISLSYLAQDSRFESENTIYDEMLHVF--NDLRRTERQLRQMELEMGEKSGEDLDKLMSDY-DRLSENFRQAGGFTYEADIRAILNGFKFDESMWQMKIAELSGGQNTRLALAKMLLEKPNLLVLDEPTNHLDIE---TIAWLENYLVNYSGALIIVSHDRYFLDKVATITLDLTKHSLDRYVGNYSRFVELKEQK--LVTEAKNYEKQQKEIAALEDFVNRNLVRASTTKRAQSRRKQLEKMERLDKPEAGKKSANMTFQSEKTSGNVVLTVENAAVGYDGEVLSQPINLDLRKMNAVAIVGPNGIGKSTFIKSIVDQIPFIKGEKRFGANVEVGY--------YDQTQSKLTPSNTVLDELWNDFKLTPEVEIRNRLGAFLFSGDDVKKSVGMLSGGEKARLLLAKLSMENNNFLILDEPTNHLDIDSKEVLENALIDF----DGTLLFVSHDRYFINRVATHVLELSENGSTLYLGDYDYYVEKKATAEMSQTEEASTSNQAKEASPVNDYQAQKESQKEVRKLMRQIESLEAEIEELESQSQAISEQMLETNDADKLMELQAELDKISHRQEEAMLEWEELSEQV 1YQT Chain:A ((44-469)) -------------------------VKEGMVVGIVGPNGTGKSTAVKILAGQLIPN--------------LCGD------NDSWDGVIRAFRGNELQNYFEKLKNGEIRPVVKP-QYVDLIPKAVKGKVIELLKKA---DETGKLEEVVKALEL-ENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDII-----HVVYGEPGVYGIFSQPKGTRNGINEFLRGYLKDENV-----RFRPYEIKFTKTGERVEIERETLVTYPRL----------------VKDYGSFRLEVEPG---------------EIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEW--DLTVAYKPQYIKADYEGTVYELL-SKIDASKLNSNFYKT---ELLKPLGII----DLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVS------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1YQT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1929 58231 30.19 143.43 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 30.19 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.359

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: