Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESTDEPGDTVDTELFTRVVRHGLPDVTVETVTPGGPSWNPVTEVARVGFADRDPVYCKAAPGDHEGDLRAEAGTLDYVGATL-RVRVPSVVR-----VTTEPVAALLTEPVAGRAVADEWFETTPERRATLA-ERLGRTLATVHTERFDRAGEITGGDPDGLALDHAPWPE-VLRAG-VTETQRRAPTDRFDPECARLLDAIDDSRDRLA-----------DPPARLLHRDPATPNCFDTGDDRLTLLDWGNSVVGDPVCDLVR-AREQVLAPSREPAPDRLVAPLRRGYRAVAGG-VPSAADREPVYEAAITL-STA-GFVDRLAEWREESVAELTAWFRAELDGRLSAVE---------- 2Q83 Chain:A ((11-346)) LSAEDAKKLTELAENVLQGWDVQAEKIDVIQ-----------ALVWKVHTDSGAVCLKRIHRP--EKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPF-----ELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNV-------------MLNAYESRAPLTEEQKQVMFIDMLFPYELYDVIREKYVRKSALPKEELESAFEYERIKANALRQLI

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 : 1243 14427 11.61 48.41 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 11.61 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.197

(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: