Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKSYLITGGAGFIGLTFTKLMLRETDARI--TVLDKLTYASHPEEMEKLKQNSRFRFVKGDISVQEDIDRAFDETYDGVIHFAAESHVDRSISQAEPFITTNVMGTYRLAEAVLKGKAKKLIHISTDEVYGDLKAD----------DPAFTETTPLSPNNPYSASKASSDLLVLSYVKTHKLPAIITRCSNNYGPYQHSEKMIPTIIRHAKQGLPVPLYGDGLQIRDWLFAEDHCRAIKLILEKGTDGEVYNIGGGNERTNKELASVILKHLGCEEL-FAHVEDRKGHDRRYAINASKLKNELGWRQEV-TFEEGIARTIQWYTDNDR 1OC2 Chain:A ((3-326)) QFKNIIVTGGAGFIGSNFVHYVYNN-HPDVHVTVLDKLTYAGNKANLEAI-LGDRVELVVGDIADAELVDKLAA-KADAIVHYAAESHNDNSLNDPSPFIHTNFIGTYTLLEAARKYDI-RFHHVSTDEVYGDLPLREDLPGHGEGPGEKFTAETNYNPSSPYSSTKAASDLIVKAWVRSFGVKATISNCSNNYGPYQHIEKFIPRQITNILAGIKPKLYGEGKNVRDWIHTNDHSTGVWAILTKGRMGETYLIGADGEKNNKEVLELILEKMGQPKDAYDHVTDRAGHDLRYAIDASKLRDELGWTPQFTDFSEGLEETIQWYTDNQ-

General information: TITO was launched using: RESULT: Template: 1OC2.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 : 1816 44744 24.64 144.34 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 24.64 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_1OC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OC2-query.scw PDB file : Tito_Scwrl_1OC2.pdb: