Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDQAFTFQTLHPDTIMDALFE-QGIRVDSGLTPL-NSYENRVYQFQDEDRQRFVVKFYRPQRWSAEQIQEEHQFAHDLLDDDVPVAAPLKF-NNQTLLTHEGFYYAVFPSLGGRQFEADNIDQMEWVARYLGRIHQTGRKEDFIAR-PTIG-IQEYLLEP---RQVFETS---------ALIPKALKD---NFLNATDKLIDAVKT-----C-WRDEISVLRLHGDCHAGNILWRD--GPLFVDLDDARMGPAVQDLWMLLNGDKAE----QRMQLETIIEAYEEFSPFNSDEIVLIEPLRAMRFVYYLAWLIRRWDDPAFPRNFPWLTGEDYWRSQISTFTEQVKVLKEPPLQLTPMY 2Q83 Chain:A ((20-301)) -------------TELAENVLQGWDVQAE-KIDVIQ----ALVWKVHTDSG-AVCLKRIHRP---EKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFI------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 964 11948 12.39 48.57 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 12.39 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: