Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNSAFTFQTLHPDTIMDALFE-QGIRVDSGLTPL-NSYENRVYQFQDEDRRRFVVKFYRPERWTADQILEEHQFALQLVNDEVPVAAPVAFN-GQTLLNHQGFYFAVFPSVGGRQFEADNIDQMEAVGRYLGRMHQTGRKQLFIHR-PTIG-LNEYLIEP---RKLFEDA---------TLIPSGLKAA---FLKATDELIAAVTA-----H-WREDFTVLRLHGDCHAGNILWRD--GPMFVDLDDARNGPAIQDLWMLLNGDKAE----QRMQLETIIEAYEEFSEFDTAEIGLIEPLRAMRLVYYLAWLMRRWADPAFPKNFPWLTGEDYWLRQTATFIEQAKVLQDPPLQLTPMY 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 9577 9.93 38.93 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 9.93 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.342

(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: