Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLSQRQRDELNRAIADYLRSNGYEEAYSVFKKEAELDMNEELDKKYAGLLEKKWTSVIRLQKKVMELESKLNEAKEEFTSGGPLGQKRDPKEWIPRPPEKYALSGHRSPVTRVIFHPVFSVMVSASEDATIKVWDYETGDFERTLKGHTDSVQDISFDHSGKLLASCSADMTIKLWDFQGFECIRTMHGHDHNVSSVAIMPNGDHIVSASRDKTIKMWEVQTGYCVKTFTGHREWVRMVRPNQDGTLIASCSNDQTVRVWVVATKECKAELREHEHVVECISWAPESSYSSISEATGSETKKSGKPGPFLLSGSRDKTIKMWDVSTGMCLMTLVGHDNWVRGVLFHSGGKFILSCADDKTLRVWDYKNKRCMKTLNAHEHFVTSLDFHKTAPYVVTGSVDQTVKVWECR 4YVD Chain:A ((58-352)) -----------------------------------------------------------------------------------------------------RVISGHLGWVRCIAVEPGNQWFVTGSADRTIKIWDLASGKLKLSLTGHISTVRGVIVSTRSPYLFSCGEDKQVKCWDLEYNKVIRHYHGHLSAVYGLDLHPTIDVLVTCSRDSTARIWDVRTKASVHTLSGHTNAVATVRCQAAEPQIITGSHDTTIRLWDLVAGKTRVTLTNHKKSVRAVVLHPR--------------------HYTFASG-SPDNIKQWKFPDGSFIQNLSGHNAIINTLTVNSDG-VLVSGADNGTMHLWDWRTGYNFQRVHA-ESGIFACAFDQSESRLLTAEADKTIKVYRED

General information: TITO was launched using: RESULT: Template: 4YVD.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 : 1829 -175477 -95.94 -613.56 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -95.94 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_4YVD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YVD-query.scw PDB file : Tito_Scwrl_4YVD.pdb: