Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHIAIIGAGISGLMSALELVEQGCTISIFDQQQAGQAASWAGGGILSPMYPWRYVHAVNQLAQFGKASYQAWNQKLYPVTGIDFEIHDTGM--LIFDEEDFDVGLSYAEQHQEPIQRCEYLQRDALEQVNPHISEQFQEAIYFPELSNIRNPRVLQSLISYLKQHPNVEFFEHAAVKKLIQQGDVIQALQTEDGRKHTADHFVITSGAWSHYWNSQLKLEIPVEPVQGQMLLFKTPAHWLPTMCMNRVMYLIPRMDGHIVCGSSMAHRGFDTSTDETTQHNILEACLEMVPELADFPIVHRWAGLRPSSPNGVPYIGKMPEMDNLWANFGHFRNGLCMGAGSAQLLRQLMLGQPTLVDAKAYSPERLQNKILA 1NG3 Chain:A ((44-370)) ------------------LAKENKNTALFESGTMGGRTTSAAAGMLGAHAECEERDAFFDFAMHSQRLYKGLGEELYALSGVDIRQHNGGMFKLAFSEEDV-----LQLRQMDDLDSVSWYSKEEVLEKEPYASGDIFGASFIQDDVHVEPYFVCKAYVKAAKM-LGAEIFEHTPVLHVERDGEAL-FIKTPSGDV-WANHVVVASGVWSGMFFKQLGLNNAFLPVKGECLSVWNDDIPLTKTLYHDHCYIVPRKSGRLVVGATMKPGDWSETPDLGGLESVMKKAKTMLPPIQNMKVDRFWAGLRPGTKDGKPYIGRHPEDSRILFAAGHFRNGILLAPATGALISDLIMNK--------------------

General information: TITO was launched using: RESULT: Template: 1NG3.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 : 1771 -7601 -4.29 -23.39 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -4.29 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_1NG3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NG3-query.scw PDB file : Tito_Scwrl_1NG3.pdb: