Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKNELPIEQIEKINFAVRKGLGTNNWELMSLLSGGLTGIPVYRIIVENKSYAIKLEDVNDKDFDLQRSYKILETVSSQGI-APLVYFTD--------ADQGIVLMKYIESKPRPEASPETIQKFSSLIRELHAKNSFPK---WKSVIEILELVYQRLTL---EYK---------KSKL--------IK---ESMHEINKMIN-----V--LFDQNDIRSCHCDLNPVNILFDG-EKYFFVDWQAASPQSFYFDLAYCSNWFYF----YNEDLCALFLKSYFG-REVTEEENAKYYLMRIFTYIYLGIGFISLPFKENQNIPILSDENIEKLPSYLKFMQSLGSGVVDLENADVQQQFGFIFLKTAIKMMDQRYKHAYEFLLNKKTIN 2Q83 Chain:A ((19-311)) ----------LTELAENVLQGWDVQ-AEKIDVIQ-----ALVWKVHTDSGAVCLKRIHRPE--KKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLFPYELYD---------------------------------------------------------------------------------

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 : 960 -18522 -19.29 -76.85 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -19.29 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.319

(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: