Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNKQLKKKAQEIGNVPTHYELEIEDYDQKQKKYGQAYFIWKDPKDPEKHITVELRNDGALLTFSTTVHSETD------KKLPDAELKLTALQFAAANHPGTFMNFHFQGKEERGQHIRFVYTKMELGLPIP-NSGFLIDMTRSGQIVHFLYYGEGHKAEVPTEFVAKEKVVSHYLNT-MSFELMYDVIDGEQEPRLVYEPILPGYSYPAD-VDEIVPDQHIADERIENTAPLPPLQNKEEVDIFALLGFTSDMQKVSERDFGEQIGSTWRRGAAPE-RKDLSIGSYFETRNKNTIKMKTDKRTGKLKAALSFMDWRNNLQCSTEECQEIALQFLYALYPRA------AEFFRVNPVRIDERGRVRNHFSVWYKGVPLRFGAARIIVNPETGLIDAFMAPDIEPEQLEAINHRPDVSAEEAKEAFLAAFDVKLEWQPDFTAGSDQHCKLVYKPVYPSYIDAHIRKKKRL 2BBD Chain:A ((1-323)) ---------------------------GEIYTETLQQTYAWT----AGTNIPIKIPRNNFIRKIRVQLIGSISNSGTAAVTLPSAPFPYNLVQTFNLSYEGS----------------KTLYSVSGTGLGILMY------YTTKGQNPAYPAPGT----SVPAS-------GSVNLNVMWEFDL---------------------ARFPATMVQNIILSILTG-------------QAPSGVSINASFYITITYERVTAQEILSEGG----LGADGEMPLATVLPKVIEIPTFNVPASSAPIHVAYLQPG-----------------QIYKRQLVYVINSTSGINNTDPTEYELKIVRGVPTDKIKVSWAALQAENQAEYQVAPY--SGASAIIDFRKYFNGDLD----LTHAPSDS---------IEYDLALQ------------NQDNVYSLYVSYVLPYYDQLAAL

General information: TITO was launched using: RESULT: Template: 2BBD.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 : 1664 -123521 -74.23 -402.35 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -74.23 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.248

(partial model without unconserved sides chains): PDB file : Tito_2BBD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BBD-query.scw PDB file : Tito_Scwrl_2BBD.pdb: