Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKQEIKLLDEAFALPENTKWSSFGEGHANETWLGEIDGDEPVVLRRHNPNRTEEQILSEFKCLDLLHDLIGYEVPKALYGVNQERVTEVEGAHYSLFELIEGETPPLDKVETCKQSGQALANLHIKLWEERDAFKFAE-EE----RPGVSKETLK---SGAELLEALSSMEASKNIDGKYLTSEYWTDVEASLNDALGAL---------AKLNETKHLIHGDFGPPNTLISENSGELVGILDWDECRWDLPVYDVAGVYPFLCE----IDKSLGEAFVDAYFAGLKGSSHPLAARENETRDLMGAVQYVATYKEFELMVENHLDEPEYLAQLLEQLA 2Q83 Chain:A ((22-301)) ----LAENVLQGWDVQA-EKIDVIQ----ALVWKVHTD-SGAVCLKRIHRP--EKKALFSIFAQDYLAK-KGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTAS---VG-YQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPF-SQLYLQE--IDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGE--NEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAY-----ESRAPLTEEQKQVMFI-----------------------------------

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 : 986 -26321 -26.69 -103.22 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -26.69 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.323

(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: