Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIGIPTETVVGENRVAATPETVKKLISAGHSVVIERGAGVKAAYIDSAYEQVGATITD-DAYTGSQIILKVRAPQGGEIQKLAANTTVVAMFDPYRNTELDQ-FANQQVSAFALELLPRTLSRAQNMDVLSSQANLAGYKSVLLAAAEYQRMFPMLMTAAGTVKPARVVIMGVGVAGLQAVATAKRLGAIVEATDLRPTAKDQVESLGGKWLDVPMSEEEQQRAADAAKNGYGWMPGEQYIKDQAAIVDKAVSNADIVITTALLPGRDAPRLIKAETVAKMKPGSVILDMAVETGGNVEGSKVGETVVTENGVKILGIPNIPATVATEASALYARNVFNFVETLF-DKEKNFAINQEDEIQKALLVTHGGQVLLKRG 2BRU Chain:B ((9-373)) -RIGIPRERLTNETRVAATPKTVEQLLKLGFTVAVESGAGQLASFDDKAFVQAGAEIVEGNSVWQSEIILKVNAPLDDEIALLNPGTTLVSFIWPAQNPELMQKLAERNVTVMAMDSVPR-ISRAQSLDALSSMANIAGYRAIVEAAHEFGRFFTGQITAAGKVPPAKVMVIGAGVAGLAAIGAANSLGAIVRAFDTRPEVKEQVQSMGAEFLELD--------------------MSDAFIKAEMELFAAQAKEVDIIVTTALIPGKPAPKLITREMVDSMKAGSVIVDLAAQNGGNCEYTVPGEIFTTENGVKVIGYTDLPGRLPTQSSQLYGTNLVNLLKLLCKEKDGNITVDFDDVVIRGVTVIRAGEI-----

General information: TITO was launched using: RESULT: Template: 2BRU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2187 -52710 -24.10 -151.47 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -24.10 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_2BRU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BRU-query.scw PDB file : Tito_Scwrl_2BRU.pdb: