Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHDKAFTFQTLRPDTIIDGLFDLGMRVDSGLTPLNSYENRVYQFQDEERHRYVVKFYRPERWSAEQILEEHQFALQLVEDE-VPVAAPLLFNDSTLHQHQGFYFAVFPSLGGRQFEADNLDQMEWVG-RYLGRLHQTGR----KQRFTARPEIGVQEYLLEPRQVF-EQATL-IPSGLKADFLKATDKLIAAVMEQWHGRGNTLR-----------------LHGDCHAGNILWRDGP--LFVDLDDARTGPAIQDLWM-LLNG--DKAEQRMQLETI-VEAYEEFSPFNSDEIAL-IE----PLRAMRLVYYLAWLLRRWDDPAFPVNFPWLTGEDYWRGQTSTFLEQVKVLQEPPLQLTPMY 2Q83 Chain:A ((11-346)) -------LSAEDAKKLTELAENVLQGWDVQAEKIDVIQALVWKVHTDSGAVCLKRIHRP----EKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEF-IMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLFPYELYDVIREKYVRKSALP--------------------KEELESAFEYERIKANALRQLI

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 : 1237 -14422 -11.66 -48.72 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -11.66 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.365

(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: