Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTGLNLL-NNPFLNKGT-AFTKEERAK-YGITGMLPSTVQTLEQQSVQAYGQYLSK-QTDLEKRIFLM-NLFNTNRTLFYKLMGEHLVEFM-PVVYDPVVADSIEQYNEIFLKPQDAAFLSIDEPENIKASLKNAADGRDIRLIVVTDAEGILGMGDWGVNG-VDIAIGKLMVYTAAAGINPAQVLPVSIDAGTNNEELLNNPLYL-GNRHARVEGETYYEFIDQF-VQSATELFPELLLHWEDFGRGNAAAILEKYEDQITTFNDDIQGTGIVVLAGVLGGLNISGEQLKDQIILTFGAGTAGVGIANILLDEMIRQGVPEEEARQHFYQVDKQGLLFEDTEGLTPGQIPFARKRSDFTNADELTNLEAVVKAIHPTIMIGTSTQPGAFTEEIVKEMAAHTPRPIIMPLSNPTKLAEAKAKDLIEWTDGKALVGTGIPAADVEYNGVTYQIGQANNALMYPGLGLGLIASTATRVNAEIISQASRALGGIVDVTKPGAAILPPVAKITEFSQTIAETVAKSVVAQNLNREEITDIKEAVESAKWVPEYKSLED 1QR6 Chain:A ((23-279)) --EKGKPLMLNPRTNKG-MAFTLQER-QMLGLQGLLPPKIETQDIQALRFHRNLK-KMTSPLEKYIYI-MGIQERNEKLFYRILQDDI-ESLMPIVYTPTVGLACSQYGHIFRRPK-GLFISISDRGHVRSIVDNWPE-NHVKAVVVTDGERILGLGDLGVYGMG-IPVGKLCLYTACAGIRPDRCLPVCIDVGTDNIALLKDPFY-MGLYQKRDRTQQYDDLIDEFMKAITDRYGRNTLIQFEDFGNHNAFRFLRKYREKYCTFNDD-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1QR6.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 : 1195 27975 23.41 112.80 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 23.41 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_1QR6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QR6-query.scw PDB file : Tito_Scwrl_1QR6.pdb: