Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MGVKTQLSLHELNQLFPSYGFTEIKPTISGIIDTTYIIHNETTGYILKRYERDITRKIELDIKLLNELKSVG-L---------NVPACLDSNYGWYIYEKLEGKQPTNTKSYHIQALG-RFLAKMHSQTSKMRCDSN-------------------------------------RIIEDEVTQSLKYVKENFFAYYK-RFEFLKNFTHKHEAIIHGDIFKDNTIFN-GRKIGVIDFIDSSCGTFAYDVAV-TLVGFDARERHDYYINLF-LKNYNQHAP-KKLSKKV-VKEKM-KFAANFFALKRVHEYKNTSRAKELLK----------------- 2Q83 Chain:A ((11-346)) LSAEDAKKLTELAENVLQGWDVQ--AEKIDVIQALVWKVHTDSGAVCLKRIHRP-EKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPF-ELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFI--DMLFPYELYDVIREKYVRKSALPKEELESAFEYERIKANALRQLI

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 : 979 23114 23.61 89.24 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 23.61 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.448

(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: