Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCTSITYVTSDHYFGRNFDYEISYNEVVTVTPRNYK-LNFRKVNDLDTHYAMIGIAAGIADYPLYYDATNEKGLSMAGLNFSGYADY-KEIQEGKDNVSPFEFIPWILGQCSTVGEAKKLLKNINLANINYSDELPLSPLHWLLAD-KEKSIVIESMKDGLHIYDNPVGVLTNNPSFDYQLFNLNNYRVLS-SETPKNNFSNQISLNAYSRGMGGIGLPGDLSSVSRFVKATFTKLNSVSGDSESESISQFFHILGSVEQQKGLCDVGDGKYEYTIYSSCCNVDKGIYYYRTYEDSQITAIDMNKEDLDSHKLISYPIIEKQQIKYIN 2RG2 Chain:A ((13-328)) -----------HLFGLNMDIEYSFNQSIIFIPRNFKCVNKSNKKELTTKYAVLGMGTIFDDYPTFADGMNEKGLGCAGLNFPVYVSYSKEDIEGKTNIPVYNFLLWVLANFSSVEEVKEALKNANIVDIPISENIPNTTLHWMISDITGKSIVVEQTKEKLNVFDNNIGVLTNSPTFDWHVANLNQYVGLRYNQVPEFKLGDQ-SLTALGQGTGLVGLPGDFTPASRFIRVAFLRDAMIKNDKDSIDLIEFFHILNNVAMVRGSTRTVEEKSDLTQYTSCMCLEKGIYYYNTYENNQINAIDMNKENLDGNEIKTYKYNKTLSINHVN

General information: TITO was launched using: RESULT: Template: 2RG2.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 : 1614 36238 22.45 116.15 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 22.45 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_2RG2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RG2-query.scw PDB file : Tito_Scwrl_2RG2.pdb: