Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLQTTNLSKTYYSNKGTISYQALSAFDLSVSKGEFVGIMGPSGSGKTTLLNLLATIDKPTQGEMMINGIQPKTLKDQELALFRRRELGFVFQDFNLLDTLTIRENILLPLALDKVKLREMEARLDELADTLQIKHILDHRTYEVSGGQQQRAACARAIIHNPALILADEPTGNLDSKSAKQVMNTLAQLNEEKEATILLVTHDAT-AASFCKRIVFIKDGRFFSEIHRGTNRQVFYQSILDTLSVLGGDFHEFENYRP---------------------------------------------------------------------------------------------------- 1OXS Chain:C ((1-352)) MVRIIVKNVSKVFKKGK----VVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVAS-NGKLIVPPEDRKIGMVFQTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDIHHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQV---GKPEDLYDNPVSIQVASLIGEINELEGKVTNEGVVIGSLRFPVSVSSDRAIIGIRPEDVKLSKDVIKDDSWILVGKGKVKVIGYQGGLFRITITPLDSEEEIFTYSDHPIHSGEEVLVYVRKDKIKVFEK

General information: TITO was launched using: RESULT: Template: 1OXS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1311 -135295 -103.20 -539.02 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain C : 0.71 3D Compatibility (PKB) : -103.20 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_1OXS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OXS-query.scw PDB file : Tito_Scwrl_1OXS.pdb: