Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLPRYKITMLALSLGVASAFVGCSSNPSKKEVVDTGPQSSEQAYFDKAQKALDRGQYLDATKSLEAIDTYYPTGQYAQQAQLELLYSKFKQKDYEGAIALAERFIRLNPQHPNVDYAYYVRGVSNMEMNYDSLLRYTSLQQSHRDVSYLKVAYQNFVDLIRRFPSSQYSVDAAQRMKFIGQELAESEMNAARFNVKRKAWIAAAERSQWVIEHYPQTPQVPEALATLAYSYDQLGDKATSQQYIEVLKLNYPSLVNKNGTVNMRAARKEGNWINRATLGILGRESKSVTPDTTTSSEAEPKRSLLNRVSFGLIGNSGKEETEETTNTPVEAPKSERSWTNRLSFGLLDKPELKAAEGATIAPATSSSEAPSASPADNEADDSAQ 5AYW Chain:D ((22-241)) -------------------------G--SKEEVPDNPPNE----IYATAQQKLQDGNWRQAITQLEALDNRYPFGPYSQQVQLDLIYAYYKNADLPLAQAAIDRFIRLNPTHPNIDYVMYMRGLTNMALDDS----------SDRDPQHARAAFSDFSKLVRGYPNSQYTTDATKRLVFLKDRLAKYEYSVAEYYTERGAWVAVVNRVEGMLRDYPDTQATRDALPLMENAYRQMQMNAQAEKVAKIIAAN--------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5AYW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 822 -46771 -56.90 -222.72 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain D : 0.70 3D Compatibility (PKB) : -56.90 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.666

(partial model without unconserved sides chains): PDB file : Tito_5AYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYW-query.scw PDB file : Tito_Scwrl_5AYW.pdb: