Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHPTPSPDTILFASHTTATAASVAQWVERHYDLPVQQCYLIRRNLNDNYAVRAADGSRYVARLCAIRPRGPFNVDFEVALLAHLEAQGVGVASPVLAANGATSVALPFPEGPRVLVLFRHCEGSVPD--TPEDLHLTGATLAQIHSAAQSYTGPASRYVL----DGHHLAGRTLDYLAAHPEL------AP------SVLDAYRELIHRLLGELA-----NV--EDTLTRVMCHGDTHGFNNHVYSDAEGARRAAFFDFDDAGPGFLAYDLCVWLWSNLPRKAPMEPDEALLQRWQQYLAGYRAGGGHVTDADLAALPLFVQLRHLWNMGEGVARIHHWGANMMSVDWIKKQLEVMAAWARLDLPA 2Q83 Chain:A ((18-307)) ------------------KLTELAENVLQGWDVQAEKIDVIQ---ALVWKVH-TDSGAVCLKRIHRP---EKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKH----GSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENE----QIWVIDLDTVSFDLPIRDLRKMIIPLLDTT-----GVWDDETFNVMLNAYESR-APLTEEQKQVMFIDMLFPY-----------------------------------------

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 : 1014 -56149 -55.37 -215.13 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -55.37 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.341

(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: