Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------MKTLEPWLHRYWNIGPARMQALASGHTNKTYLVECDAGRAVLRVSWSGKPVGQVDREAAILGHLGETR-AAPMLPALPRLRPTVDAQSGVRLPDGSWLHLFEHIDGSPGLPPEAETGAIDAM-RALAHLHAALAAIPVTESAPL---------AWLSARHA-RVAAR-AAPPLPGNLSDRYGTMIRRIGAHLDAAARWLT------------GTVHWLHGDYHAGNLLYVGGAVNGVLDFDDVGQGAQWLEAAF-ALFALSRDAGRDDRFVFDARRWDAG-LQAYAATRPDAVPDWMHDHRDA-LMA-LFCADQTLIHLEAAQRGLWVPGPGIGFLGGWRQLLDGAAP----- 2Q83 Chain:A ((11-346)) LSAEDAKKLTELAENVLQGW-DVQAEKIDVI----QALVWKVHTDSGAVCLKRI--HRPEKKALFSIFAQDYLAKKGMN------VPGILPNKKGSLYSKH-GSFLFVVYDWIEGRPFELTVKQDLEF--IMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWD-------DETFNVMLNAYESRAP-----LTEEQKQVMFIDMLFPYELYDVIREKYVRK--SALPKEELESAFEYERIKANALRQLI

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 : 1178 37349 31.71 129.23 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 31.71 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.310

(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: