Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDKKTDILLAARKLFSEKDFTSVSMQAIAEECKMSKASIYKLFQSKEDLLLELLSFNQKQMVAAASRLQE-NTALTPEERLTQKVKMEL--EGFRRNQQFFNMLTYG----NPK---LHNDRVKQHIHQTRSTIICWHRDSLIQAYGETILPFVWDLVIILHGMMREFLMLIKIEEKPLELDPIAEFIISTLNQIIKNRETRQSLLPPEAIELYIHSASSYKPKDKSVLLSESLKELHKGISSLSAADYDVDELTSAAAMLEEEAKKEEPRAFLLKSLIGYLEQTGVLTQPVSMLKTLLIT 4JNN Chain:A ((8-120)) -------ILETAWRLIARRGYHNVRIHDIASELGTSNATIHYHFPSKKDILLEALRRNVK--LAFDRQVAELHTIADARERLVRLVELQLPTPGLLRDEWSVWLQVWTESTLNPKIRDLYND------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4JNN.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 : 305 -40620 -133.18 -394.37 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -133.18 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.596

(partial model without unconserved sides chains): PDB file : Tito_4JNN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JNN-query.scw PDB file : Tito_Scwrl_4JNN.pdb: