Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDMENRYRPPSPLDDSVLDSALFVRGMEELRDISQSMDEDALSSFEMTENQSGLGSGSESSTELDALTPASSPSSGVYGCPVGQDEFTSTSLNLECRVCSDRASGYHYGVHACEGCKGFFRRTIRLKLEYDKCERRCKIQKKNRNKCQYCRFQKCLSVGMSHNAIRFGRMPQSEKLRLKAEILTGERDVEDDQKTLAKQIYEAYVKNFNMNKSKARTILTGKTS-TPPFVIHDMETLQLAEQTFVAKMMGSCGGLLNKDPEVRIFHCCQCTSVETVTELTEFAKSVPGFSNLDLNDQVTLLKYGVHEALFAMLASCMNKDGLLVAYGSGFITREFLKSLRRPFSDMMEPKFQFAMKFNSLELDDSDLALFVAAIICCGDRPGLVNVPHIERMQESIVNVLHLHLKSNHPDHGFLFPKLLQKLVDLRQLVTEHAQLIQEIKKTE-DTSLHPLLQEIYRDMY 3SP9 Chain:B ((14-281)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DLKAFSKHIYNAYLKNFNMTKKKARSILTGK--HTAPFVIHDIETLWQAEKGLVWKQLVN-GLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDMY

General information: TITO was launched using: RESULT: Template: 3SP9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1170 -82365 -70.40 -311.99 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -70.40 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.310

(partial model without unconserved sides chains): PDB file : Tito_3SP9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3sp9-query.scw PDB file : Tito_Scwrl_3SP9.pdb: