Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDQKDFRENLELKPVTQEHIDQFNELLSYVFQVTEADIEESGFENKRAFIRSKKPILEVSKVFGWFHENKLISQIAIYPCEVNIHGARYKMGGVTGVGTYPEYANHGLMQDLIIVALDNMRKNKQWISYLYPYSIPYYRRKGWEIMSDKLSFKIRDTQLPKQIPVSGMVERLPVD-HPD-VFSVYDKFAQQNHGALFRSDFHWEEYWRFENEDERTAAVYYDSNHEPRGVLFYWVAEEIFHVKEMFYLDQEARNGLWNFISAHFSMIYWVHGDIYKNEPLAFLIEDSQIKEQIEPYFMARIVDVKEFLQRFPF---VGTADAFHFIIEDPVAPWNNGVFALTWDEQGQVRVLNEPIGKSVRLDIQTLTCLMMNYRRASYLARIERLETDEETLKSLERIIPNMEAYFSDYF 3N7Z Chain:A ((43-388)) ---------------------------------------------------------ESHEVYGIMEGENLAAKLHLIPFHIYIGKEKFKMGGVAGVATYPEYRRSGYVKELLQHSLQTMKKDGYTVSMLHPFAVSFYRKYGWELCANLLVCHMTKSDLVMKKQVNGTVKRFNKESHPEEVEKLYETFAELFSGMLVRN----EKWWLQAVYDDLTLAIYYDENQTAAGYMLYKIENYKMTVEEFVPLHNEARNGLWNFICQHDSMIKDLEMTVSENEPLLYTLQEPRVKTEIKPYFMGRIVDVEQFLKQYELNWN-QQEVILH--ITDSFAQWNNITVRIANHE---ITIIEEPIDKGIKLDINALSTILFGYRRPLELNELELISGSEEEIRAFESVVPVRKPFIYDFF

General information: TITO was launched using: RESULT: Template: 3N7Z.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 : 1748 -73680 -42.15 -217.35 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -42.15 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_3N7Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N7Z-query.scw PDB file : Tito_Scwrl_3N7Z.pdb: