Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPINSFENYPMSWKPSIDKAEKPIYKALAGQLEQDILNGVLLPGTKLPPQRELADYLDLNVSTISKAFKVCELKGLLSATVGSGTFVSYDALSNAYLLEDTKPTHLIEMGAILPDHASYEP--LLYQLKNMVHEEDYEKWFSYGRAGESLWQKDAAVKLIQR-GGFETSVDHILFANGGQNAIAATLASLCKPGDRIGVDHHTYPGLKTVASLLSVQIVPIKSENDEMSPESLEYACKN-----ENIKGLYLIPDYHNPTTSFMSVENRRMVADIVKKYNLFVIEDASYHLLNKNP--LPALASFA-PQQVIHIASLSKSLAPGLRLAYVAVPRQYKEPISKALYNLNITVSPLLAELTARTIVSNQFEVLIESHREQTIRRNQLVNRYVAGY-----TCLGVETGIFRWLLLPGKMSGAEFEELAARLGVQVYAAERFVVGNSCPERAVRVSVCAPKTLEELEQGLMILRRLLDDLT 3AOW Chain:A ((75-445)) ------------------------------------------------------------------------------------------------------TSDIISLAGGLPNPKTFPKEIIRDILVEIMEKY-ADKALQYGTTKGFTPLRETLMKWLGKRYGISQD-NDIMITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLDDEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLELASEYDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPGFRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPEIRKFYKPRRDAMLEALEEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLERAIKKGVAYVPGEAFYAH-RDVKNTMRLNFTY-VDEDKIMEGIKRLAETIKEE-

General information: TITO was launched using: RESULT: Template: 3AOW.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 : 2057 -210938 -102.55 -594.19 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -102.55 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3AOW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AOW-query.scw PDB file : Tito_Scwrl_3AOW.pdb: