Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKQVKISGKSKENMSLLKHLKGDVQGKELVIEDSIVNERWKQVLKEKIDIEHDLFNYQKNREISKVPFLPVDRLITNDEVEDILNTLTEVLPTGKFTSGPYLEQFEKVLSTYLHKRYVIATSSGTDAIMIGLLALG--------LNPGDEVIMPANSFSATENAVLASGGVPIYVDINPQTFCIDPDKIEEAITPYTKFILPVHLYGKHSDMQHIRQIANRYKLKVIEDACQGIGLT----DLGKYADITTLSFNPYKNFGVCGKAGAIATDNEELAKKCIQFSYHGFEVNV----------KNKKVINFGFNSKMDNLQAAIGLERMKYLSLNNFKRLFLADRYITQLAELQNKGYIELPEL--SEDHVWHLFPIKVRT---EDRADIMTKLNEDFGVQTDVYYPILSHMQKTPLVQDKYAGLQLVHTEKAHSQVLHLPLYPSFTLEEQDRVMEGLFHVIKQEIGV 3BB8 Chain:A ((43-435)) ---------------------------------------------------------------------------------TKELQLMVEASLDGWLTTGRFNDAFEKKLGEYLGVPYVLTTTSGSSANLLALTALTSPKLGVRALKPGDEVITVAAGFPTTVNPTIQNGLIPVFVDVDIPTYNVNASLIEAAVSDKTKAIMIAHTLGNLFDLAEVRRVADKYNLWLIEDCCDALGSTYDGKMAGTFGDIGTVSFYPAKHITMG-EGGAVFTQSAELKSIIESFRDWGRDC--QLGSLPFGYDHKYTYSHLGYNLKITDMQAACGLAQLERIEEFVEKRKANFKYLKDALQSCADF--IELPEATENSDPSWFGFPITLKEDSGVSRIDLVKFLDE-AKVGTRLLFAGNLTRQPYFHDVKYRVVGELTNTDRIMNQTFWIGIYPGLTHDHLDYVVSKFEEFFGL----

General information: TITO was launched using: RESULT: Template: 3BB8.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 : 2112 -225727 -106.88 -644.93 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -106.88 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_3BB8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BB8-query.scw PDB file : Tito_Scwrl_3BB8.pdb: