Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEVKEQLKLKELLFIMKQMPKTFKLIFTLERSLFLKLIRFSIITGILPIVSLYISQELINSLVTIRKEVSIVITIFLTYLGVSFFSELISQISEFYNGKFQLNIGYKLNYKVMKKSSN----LALKDFENPEIYDKLERVTKEISYKPYQIIQAIITMTTSFVTLLSSIAFLMSWNPKVSLL-LLVIPVISLFYFLKIGQEEFFIHWKRAGKERKSWYI---SYILTHDFSFKELKLYNLKDYLLNKYWDIKKSFIEQDTKILRKKT----LLNLIYEIAVQLVGAVIIFIAIMSAFAGKIMVGNVMSYIRSVSLVQNHSQSIMTSIYSIYNSNLYMNQLYEFLELKEEKSQG-HKKPIVEPIHSVVFQNVSFIYPNQGEQTLKHINVSLHKGERVAIVGPNGSGKKTFIKLLTGLYEVHEGDILINGINIKELDMDSYMNQIAALFQDFMKYEMTLKENIGFGQIDKLHQTNKMHEVLDIVRA----DFLKSHSSYQFDTQLGLWFDEGRQLSGGQWQKIALARAYFREASLYILDEPSSALDPIAEKETFDTFFSLSKDKIGIFISHRLVAAKLADRIIVMDKGEIVGIGTHEELLKTCPLYKKMDESENYMNPLEEEGSKWKEALYQG 2ONJ Chain:A ((91-577)) ----------------------------------------------------------------------------------------------------------KILYDIRKKLYNHLQALSARFYANNQVGQVISRVINDVEQTKDFILTGLMNIWLDCITIIIALSIMFFLDVKLTLAALFIFP----FYILTV--YVFFGRLRKLTRERSQALAEVQGFLHERVQGISVVKSFAIEDNEAKNFDKKNTNFLTRALKHTRWNAYSFAAINTVTDIGPIIVIGVGAYLAI----SGSITVGTLAAFVGYLELLFGPLRRLVASFTTLTQSFASMDRVFQLIDEDYDIKNGVGAQPIEIKQGRIDIDHVSFQYNDNEAPILKDINLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTSGQILIDGHNIKDFLTGSLRNQIGLVQQDNILFSDTVKENILLGR-----PTATDEEVVEAAKMANAHDFIMNLPQ-GYDTEVG---ERGVKLSGGQKQRLSIARIFLNNPPILILDEATSALDLESESIIQEALDVLSKDRTTLIVAHRLSTITHADKIVVIENGHIVETGTHRELIAKQGAYEHLYSIQN-------------------

General information: TITO was launched using: RESULT: Template: 2ONJ.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 : 2059 34491 16.75 73.39 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 16.75 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_2ONJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ONJ-query.scw PDB file : Tito_Scwrl_2ONJ.pdb: