Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSHWVYKLIVYSKLKNKLMLTYDKNEFSLPSYQPELAHVAIVGHINAFVKEHFQLKTTVLRCCRQLENIRIYEVEILEEESVQFANHVWLTLSQPSDLKKLNSDDQTILKSWIDTQRSVGIPWFHVGWRNQMERWAANVLSNSSLTFAQIRSWERSALFRIISDTQNYYFKAVPDVFNHEPLLSDYLFQHYPLYVPEIVQVEPNKNWYIMREIQGSLLGQTGKIAYWRQAIEQLAVMQKQSTRHIDELKKRNCPVRPVAKVIKSYVKCSFDDLYESHHISRETYQKLNTSIPTIINICDKIEKSNIPLALEHGDFFGGNIMVQNGQPVIYDWSDCTLSHPFLSIMVILKEVEQFFSEEVAQSLLNDYLEKWSGFDSKPHLIEEYNWLKVIAPVYYLT-IYQTFIFPAFNDNWDKQQIIEGYITEWLTMPML------------ 1ZYL Chain:A ((4-328)) -------------------------SAFTFQTLHPDTIMDALFEH----------------------------------------------GIRVDSGLTPLNSYENRVYQFQDEDRRRFVVKFYRPE------RWTADQILEEHQFALQLVNDE--------------------------------------VPVAAPVA-FNGQTLLNHQGFYFAVFPSVGGRQFEADNIDQMEAVGRYLGRMHQTGRKQLFIHRPTIG-LNEYLIEPRKLFEDATLIPSGLKAAFLKATDELIAAVTAHWREDFTVLRLHGDCHAGNILW-RDGPMFVDLDDARNGPAVQDLWMLLNG-DKAEQRMQLETIIEAYEEFSEFDTAEIGLIEPLRAMRLVYYLAWLMRRWADPAFPKNFPWLTGEDYWLRQTATFIEQAKVLQEPPLQLTPMY

General information: TITO was launched using: RESULT: Template: 1ZYL.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 : 1458 -159896 -109.67 -512.49 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -109.67 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.251

(partial model without unconserved sides chains): PDB file : Tito_1ZYL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1zyl-query.scw PDB file : Tito_Scwrl_1ZYL.pdb: