Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIDFLTLFPEMFEGVLGSSILQKAQEKDAVQFQVVNFREYSDNKHNTVDDYPYGGGAGMVLKPQPVFDAVEDLTS----KAAAAPRIILVCPQGERFTQKKAEQLAKEEHLLFICGHYEGYDERIREHLVTDEISIGDFVLTGGELPAMMIADSVVRLLPGVLGKEASHIEDSFSTGLLEHPHYTRPADYKGLKVPETLLSGNHAKIEEWRNKESIRRTYLRRPDLL----KDHPLTEQQRKWISEWEKE 4H3Z Chain:B ((22-272)) MQFDIVTLFPDMFRALTDWGITSRAAKQERYGLRTWNPRDFTTDNYRTIDDRPYGGGPGMVMLARPLEDAINAAKAAQAEQGIGGARVVMMSPQGATLNHDKVMRFAAEPGLILLCGRYEAIDQRLIDRVVDEEVSLGDFVLSGGELPAMALIDAVVRHLPGVLNDAQSAVQDSFVDGLLDCPHYTRPEEYDGVRVPDVLLGGHHAEIEQWRRREALRNTWLKRPDLIVQARKNKLLSRADEAWLASLAKD

General information: TITO was launched using: RESULT: Template: 4H3Z.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 : 1000 -151856 -151.86 -624.92 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -151.86 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_4H3Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4H3Z-query.scw PDB file : Tito_Scwrl_4H3Z.pdb: