Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MECSMNLADRDGFIWQDGQLIDWRDAKIHVLTHTLHYSMGVFEGVRAYETPKG-TAIFRLQDHTKRLLNSAKIYQMKVPYDQAALEQAQIDVVRENKLASCYLRPLIWIGSEKLGIAATNNTIHAAVAAWAWGAYLGDEAMAKGIRVKTSSFTHHHPNVTMCKAKASGNYTLSILAHQEVAHSGYDEAMLMDPQGYVCQGSGENVFLIKDGVLHTPDIAGGALDGITRQTVMTIAKDLGYEVVERRITRDEFYIADEAFFTGTAAEVTPIREYDDRQIGAGCRGPITTEIQKTFFDAVQGKKPKYEHWLTYVK 3U0G Chain:A ((22-328)) ----MSMADRDGKIWMDGKLIEWRDAKIHVLTHTLHYGMGVFEGVRAYKTADGGTAIFRLKEHTKRLLNSAKIFQMDVPFDQETLEAAQRDVVRENKLESCYLRPIIWIGSEKLGVSAKGNTIHVAIAAWPWG----EEGLAKGIRVKTSSFTRHHVNVSMVRAKASGWYVNSILANQEATADGYDEALLLDVDGYVSEGSGENFFLVNRGKLYTPDLA-SCLDGITRDTVITLAKEAGIEVIEKRITRDEVYTADEAFFTGTAAEVTPIRELDNRTIGGGARGPITEKLQSAFFDVVNGKSAKHADWLTKI-

General information: TITO was launched using: RESULT: Template: 3U0G.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 : 1616 -12684 -7.85 -42.00 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.92 3D Compatibility (PKB) : -7.85 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_3U0G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U0G-query.scw PDB file : Tito_Scwrl_3U0G.pdb: