Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPEHKSGFVAIVGRPNVGKSTLLNRIVGQKIAIMSDKAQTTRNKIQGVYTTPEAQLIFIDTPGIHKPK-HRLGDFMVEAAYSALKEVDAVLFMISADQKRGRGDDFIIERLKNVHSPVYLIINKIDKIHPD-ELLGIIEDYSTQMPFAQVIPISATEGNNVERLMDVLVSEMPEGPQYFPDDQVTDHPEYFIVSELIREKVLFLTRDEVPHSVAVVVDSMKRNENDKIHIQATIIVERDSQKGIIIGKGGKMLKQVGTKARKDIENLLGDKVFLELWVKVQKDWRDKKVYLQDFGYRKDEY 1EGA Chain:B ((4-296)) -DKSYCGFIAIVGRPNVGKSTLLNKLLGQKISITSRKAQTTRHRIVGIHTEGAYQAIYVDTPGLHMEEKRAINRLMNKAASSSIGDVELVIFVVEGTRWT-PDDEMVLNKLREGKAPVILAVNKVDNVQEKADLLPHLQFLASQMNFLDIVPISAETGLNVDTIAAIVRKHLPEATHHFPEDYITDRSQRFMASEIIREKLMRFLGAELPYSVTVEIERFVSNERGGYDINGLILVEREGQKKMVIGNKGAKIKTIGIEARKDMQEMFEAPVHLELWVKVKSGWADDERALRSLG------

General information: TITO was launched using: RESULT: Template: 1EGA.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 : 1400 -18104 -12.93 -62.21 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -12.93 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_1EGA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1EGA-query.scw PDB file : Tito_Scwrl_1EGA.pdb: