Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLEPWLHRYWNIGPARMQALASGHTNKTYLVECDAGRAVLRVSWSGKPVGQVDREAAILGHLGETRAAPMLPALPRLRPTVDAQSGVRLPDGSWLHLFEHIDGSP-GLPPEAETGAIDAMRALAHLHAALAAIPVTES----APLAWLSARHA----RVAARA-------APPL----PGNLSDRYGTMIRRIGAHLD----AAARWLTGTVHWLHGDYHAGNLLYVGGAVNGVLDFDDVGQGAQWLEAAFALFALSRDAGRDDRFVFDARRWDAGLQAYAATRPDAVPDWMHDHRDALMALFCADQTLIHLEAAQRGLWVPGPGIGFLGGWRQLLDGAAP 2Q83 Chain:A ((24-290)) ----ENVLQGWDVQ-AEKIDVIQ----ALVWKVHTDSGAVCLKRIHRP--EKKALFSIFAQDYLAK----KGMN-VPGILPNKKGSLYSKH-GSFLFVVYDWIEGRPFELTVKQDLEFI--MKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTG-----VWDDETFNVMLNAYESRAP--------------------------------------------------------

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 : 938 -23895 -25.47 -99.98 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -25.47 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.284

(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: