Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTNRKDEHILYA----LEQKSSYNSFDEVELIHSSLPLYNLDEIDLSTEFAGRKWDFPFYINAMTGGSNKGREINQKLAQVAETCGILFVTGSYSAAL-KNPTDDSFS-VKSSHPNLLLGTNIGLDKPVE-LGLQTVEEMNPVL----LQVHVNVMQELLMPEGERKFRSWQ-SHLADYSKQIPVPIVLKEVGFGMDAKTIERAYEFGVRTVDLSGRGGTSFAYIENRRSGQR---------DYLNQWGQSTMQALLNAQEWKDKVELLVSGGVRNPLDMIKCLVFGAKAVGLSRTVLELVETYTVEEVIGIVQGWKA---DLRLIMCSLNCATIADLQKVDYLLYGKLKEANDQMKKA 3VKJ Chain:A ((5-349)) --VNRKVEHVEIAAFENVDGLSSSTFLNDVILVHQGFPGISFSEINTKTKFFRKEISVPVMVTGMTGGRNELGRINKIIAEVAEKFGIPMGVGSQRVAIEKAEARESFAIVRKVAPTIPIIANLGMPQLVKGYGLKEFQDAIQMIEADAIAVHLNPAQEVFQPEGEPEYQIYALEKLRDISKELSVPIIVKESGNGISMETAKLLYSYGIKNFDTSGQGGTNWIAIEMIRDIRRGNWKAESAKNFLD-WGVPTAASIMEVRYSVPDSFLVGSGGIRSGLDAAKAIALGADIAGMALPVLK----SAIEGKESLEQFFRKIIFELKAAMMLTGSKDVDALKKTSIVILGKLKE--------

General information: TITO was launched using: RESULT: Template: 3VKJ.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 : 1939 28560 14.73 88.97 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 14.73 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_3VKJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VKJ-query.scw PDB file : Tito_Scwrl_3VKJ.pdb: