Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------MIKKIYPIFTILLGAAIYAFGLTYFVVPHH----------LFEGGATGITLITFYL-------FKIPVSLMNLLINIPLFILAWKIFGAKSL---YSSLLGTLALSAWLAFFEHIPLHIDLQGDLLITALIA---------------GILLGIGLGIIFNAGGTTGGTDILARILNKY--------THISIGKL----------LFILDFCILMLILLIFKDLRLVSYTLLFDFIVSRVIDLIGEG---------------GYAGKGFMIITKRPDQLAKAINDDLGRGVTFISGQGYYSKENLKIIYCIVGRNEIVKTK--------------------EMIHRIDPQAFITITEAHEILGEG----FTFEKE 4YTB Chain:A ((1-422)) AFQETNPPAGPVRAIAEYERSAAVLVRYPFGIPMELIKELAKNDKVITIVASESQKNTVITQYTQSGVNLSNCDFIIAKTDSYWTRDYTGWFAMYDTNKVGLVDFIYNRPRPNDDEFPKYEAQYL-GIEMFGMKLKQTGGNYMTDGYGSAVQSHIAYTENSSLSQAQVNQKMKDYLGITHHDVVQDPNGEYINHVDCWGKYLAPNKILIRKVPDNHPQHQALEDMAAYFAAQTCAWGTKYEVYRALATNEQPYTNSLILNNRVFVPVNGPASVDNDALNVYKTAMPGYEIIGVKGASGTPWLGTDALHCRTHEVADKGYLYIKHYPIL-GEQAGPDYKIEADVVSCANA-TISPVQCYYRINGSGSFKAADMTMESTGHYTYSFTGLNKNDKVEYYISAADNSGRKETYPFIGEPDPFKFTCMNE

General information: TITO was launched using: RESULT: Template: 4YTB.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 : 1463 -52280 -35.73 -187.38 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -35.73 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.177

(partial model without unconserved sides chains): PDB file : Tito_4YTB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YTB-query.scw PDB file : Tito_Scwrl_4YTB.pdb: