Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSLLACLALMIAGIATALFIGFHDHTGNKKIVYDDDQEGLQDQIVFKFSHVVAENTPKGLAANKFADLVNEKSGGKIKIEVFPNGSLYSDIEEIEALQNGDVQFIAPSTSKLGMLSPEWGVLDLPYAFTDYNAVKKGLNGSIGTQLFDSLKKNQLKGLAYWTNGFKQITTNQGPVKTPDDLKGQDLRIMQSDVIEDQFKLLGATPHQESFNSTFQLLENNVVDGEENTISNIYSKKFYNVQDYLTISSHGYLGYAVMTDEHFWKAQTPETRRILTEAMKETTEWNETYAEQMNKEQLEEIKKNSAIHIYELSDKEKQEWMKRLDPVYRQYEPIFGRELIRELLELRKDS 4NF0 Chain:G ((28-313)) --------------------------------------------VVIKFSHVVSDDTPKGKGALLFKKLAEERLPGKVKVEVYPNSTLFGDADEIEALRANKVQMLATSLSKFEPYTKQLQVFDLPFLFDDLEALKRFQKRDKSRELLRSMAKHGIYGLAYWNNGMKQLSATR-ELHRPDDAKGLVFRIQPSSVLEAQFAMLGATAKQLSYAETLKAMQAGSVQGTENTWSNLAGQKIDSVQPYITETNHGALSYMLITSSAFWTGIPYQTRTELESIVDEVTLVVNKEAEALNQKEREHLLAAGKSRLVSLSAEEHEAWRNAMKPLWKNY-------------------

General information: TITO was launched using: RESULT: Template: 4NF0.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 1598 -59557 -37.27 -208.24 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain G : 0.77 3D Compatibility (PKB) : -37.27 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_4NF0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NF0-query.scw PDB file : Tito_Scwrl_4NF0.pdb: