Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSASISAAADPRLQQAITWLNTLKTQFGLDLDSLQAASSDASFRRYFRLQAQNRSLILMDAPPATEDCKPFVQVTQLLAPTGIHVPDILAADT--------EQGFLLLSDLGQDNFQTALKTPMPQSELDKLYRSTLLTLVKLQQAD-TTGLP-PYNE-QRLLEELQVFP---EWYV---QKH---RQFELS----EK---DHNMLRKTFAELVQ-------ANVQSATVLVHRDFHSPNLMMPLPGQTEPGVIDYQDALAGPITYDIASLVMDARVT---WTEEQQLDWAIRYWQAAMEAGLDVPADFAVFHQQYEWMSLQRNLRILGVFARLSLRDGKHHYLDHMPRLLGYVHQVASRYESFNGLLRLLNRLEGRQTVLGMTV 2Q83 Chain:A ((18-289)) --------------KLTELAENVLQGWDVQAEKIDVIQ----AL-VWKVHTDSGAVCLKRIHRPEKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELT---------VKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGEN-E-QIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRA---------------------------------------------------------------------------------------

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 : 863 -29176 -33.81 -126.30 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -33.81 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.301

(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: