Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKQVKISGKSKENMSLLKHLKGDVQGKELVIEDSIVNERWKQVLKEKIDIEHDLFNYQKNREISKVPFLPVDRLITNDEVEDILNTLTEVLPTGKFTSGPYLEQFEKVLSTYLHKRYVIATSSGTDAIMIGLLALGLNPGDEVIMPANSFSATENAVLASGGVPIYVDINPQTFCIDPDKIEEAITPYTKFILPVHLYGKHSDMQHIRQIANRYKLKVIEDACQGIGLTD----LGKYADITTLSFNPYKNFGVCGKAGAIATDNEELAKKCIQFSYHGFEVNVKNKKVINFGFNSKMDNLQAAIGLERMKYLSLNNFKRLFLADRYITQLAELQNKGYIELPELSEDHVWHLFPIKVRTEDRADIMTKLNEDFGVQTDVYYPILSHMQKTPLVQDKYAGLQLVHTEKAHSQVLHLPLYPSFTLEEQDRVMEGLFHVIKQEIGV 3UWC Chain:A ((19-371)) ---------------------------------------------------------------------------------EPYLNDLREFIKTADFTLGAELEKFEKRFAALHNAPHAIGVGTGTDALAMSFKMLNIGAGDEVITCANTFIASVGAIVQAGATPVLVDSE-NGYVIDPEKIEAAITDKTKAIMPVHYTGNIADMPALAKIAKKHNLHIVEDACQTILGRINDKFVGSWGQFACFSLHPLKNLNVWSDAGVIITHSDEYAEKLRLYRNHGLINR---DVCVEYGINCRMDTIQAVIANRLMNQLETITEKRRGIAHLYDQSFVDLSEFIDVPVRREGVYHVFHIYVLRVK--YRDQLFQYLKD-NGIEVKIHYPIAMHLQPAA-KSLGYQQGDFPMAEKHGEAVITLPAHPYLTEEEINYIIKKVREFYLEK---

General information: TITO was launched using: RESULT: Template: 3UWC.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 : 1982 -248738 -125.50 -712.72 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -125.50 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_3UWC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UWC-query.scw PDB file : Tito_Scwrl_3UWC.pdb: