Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPEHKSGFVAIVGRPNVGKSTLLNRIVGQKIAIMSDKAQTTRNKIQGVYTTPEAQLIFIDTPGIHKPKHRLGDFMVEAAYSALKEVDAVLFMISADQKRGRGDDFIIERLKNVHSPVYLIINKIDKIHPDELLGIIEDYSTQMPFAQVIPISATEGNNVERLMDVLVSEMPEGPQYFPDDQVTDHPEYFIVSELIREKVLFLTRDEVPHSVAVVVDSMKRNENDKIHIQATIIVERDSQKGIIIGKGGKMLKQVGTKARKDIENLLGDKVFLELWVKVQKDWRDKKVYLQDFGYRKDEY 5X4B Chain:A ((5-159)) --------VAIVGRPNVGKSTIFNRIAGER----------TRDRIYSSAEWLNYDFNLIDTGGIDIGDEPFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKILYRTKKPVVLAVNKLDNT---EMRANIYDFYS-LGFGEPYPISGTHGLGLGDLLDAVA------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5X4B.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 : 770 -118732 -154.20 -818.84 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -154.20 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.593

(partial model without unconserved sides chains): PDB file : Tito_5X4B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X4B-query.scw PDB file : Tito_Scwrl_5X4B.pdb: