Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTEYAIRLKDITKSYNMYAKPSDRFREALNPFKKSYHDVFYALKNVNVEIKKGEMIGFVGENGSGKSTMLKIITGVLTPTSGTMEIEGKISA---------------LLELGSGFNPEYSGYENIYLNGMVLGFSREEVDEMVDDIIEFADIGDHIYQPVKTYSSGMFVRLAFAVAINVNPDILIVDEALAVGDLEFQLKCMEKFTEIKNS-GKTILFVSHDISSIRRFCDRSYWLKNGEVVEYGDTMEVTTNYENFLKKKSVKTVDRNKNQVERFAAPDIVDVTKAELLDKDKNPVDMLEQGEKLYVKVTYEVKDDTIKNPVLGIALRTVDNFYVCGLNTLLDGIKIPWKKGENIFYLEYEKLGLLAGEYYFDVAVFEENATVPLVYKTKYMNLFVSGSYIGEGIVVLDHKWEEGTHSNEI 1OXS Chain:C ((1-352)) --MVRIIVKNVSKVFK--------------------KGKVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKLIVPPEDRKIGMVFQTWALYPNLTAFENIAFPLTNMKMSKEEIRKRVEEVAKILDIHHVLNHFPRELSGGQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRLGVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDLYDNPVS------------------IQVASLI----------GEINELEGKVTNEGVVIG-SLRFPVSV-SSDRAIIGIRPED--------VKLSKDVIKDDSWILVGKGKVKVIGYQGGLFRITITPLDSEEEIFTYSDHPIH--------SGEEVLVYVRKDKIKVFEK--

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 : 1707 -36359 -21.30 -108.21 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain C : 0.68 3D Compatibility (PKB) : -21.30 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.405

(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: