Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAAEAGADTDAALLALAQRLAAQAGKATPTALTRLAGGRNNQVFRVDTEAGPLVLKRYFTDARDSRDRLGAEWSFISHAWSRGVRVVPEPMACDR--------AVQAGLYSFVEGRKLTAAELAPAHVDAAIDFVLAVNAPPRPTLAPGSEACFS-LAEHIATVERRVARLATLDADV--PHVSEARQFVATRL---QPAWAEVKATILRG-AAAEGLALDAAIPADQVCLSPSDFGFHNALIDDQGKLTFLDFEYAGRDDPAKLVSDFFCQPEV---PVPLAAHEHFIDRLADGLGLDAASVARCRLLLDAYQVKWTCIILNDFLPLGAVRRAFADTGAWAQRCAVQLAKAEAQLGLIGATSD 2Q83 Chain:A ((21-301)) ----------------ELAENVLQGWDVQAEKIDVIQ----ALVWKVHTDSGAVCLKRIHRP----EKKALFSIFAQDYLAKKGMN-VPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFEL--TVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVP----WT-EQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFI--------------------------------------------------------

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 : 1005 -18694 -18.60 -72.18 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -18.60 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.267

(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: