Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSLLACLALMIAGIATALFIGFHDHTGNKKIVYDDDQEGLQDQIVFKFSHVVAENTPKGLAANKFADLVNEKSGGKIKIEVFPNGSLYSDIEEIEALQNGDVQFIAPSTSKLGMLSPEWGVLDLPYAFTDYNAVKKGLNGSIGTQLFDSLKKNQLKGLAYWTNGFKQITTNQGPVKTPDDLKGQDLRIMQSDVIEDQFKLLGATPHQESFNSTFQLLENNVVDGEENTISNIYSKKFYNVQDYLTISSHGYLGYAVMTDEHFWKAQTPETRRILTEAMKETTEWNETYAEQMNKEQLEEIK----KNSAIHIYELSDKEKQEWMKRLDPVYRQYEPIFGRELIRELLELRKDS 4OVS Chain:A ((23-330)) -----------------------------------------MAEYTIKVTHVVSPNTPKGKGADFFAKRVGELTNGKVEVIVFPNSQLYGDGEEMKALKLGNAHIAMPSFSKFTSLVPEMQLFDLPFIFRDKDHLYKVLDGEVGQILKDKVSKKGFVALDYWDAGFKHLSSNKKPILLPEDAAGQKFRIMSSHVLEAQFKAVGANPQVLPFSEVYSALQQGVVDGAENPLSNFYTKKFNEVQTDLTLSNHGYLGYLVIMSESFWKKFPKDLKPMVLQAMKEATEYERKEAALDDEDMLAKISEYAKASGNLKIHTLTPEQKAAWQKAMEAIYPQFYKTIGEDLIKKVQA-----

General information: TITO was launched using: RESULT: Template: 4OVS.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 : 1686 67494 40.03 222.75 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 40.03 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.176

(partial model without unconserved sides chains): PDB file : Tito_4OVS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OVS-query.scw PDB file : Tito_Scwrl_4OVS.pdb: