Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFMTESRLTHLKQLEAESIHIIREVAAEFENPVMLYSIGKDSAVMLHLALKAFYPAKLPFPLLHVDTGWKFKDMIAFRDNMAKTHGFDLIVHQNKEGREAGINPFDHGSSKYTDIMKTQALKQALDKYQFDAAFGGARRDEEKSRAKERVYSFRDSKHRWDPKNQRPELWNLYNGKVNKGESIRVFPLSNWTELDIWQYIYLENIQIVPLYFSAVRPVVERSGTLIMVDDERMRLKEGEVPQMKSVRFRTLGCYPLTGAVESEADTLPEIIQEMLLATSSERQGRMIDHDEAGSMEKKKQEGYF 1ZUN Chain:A ((24-231)) ------KLTHLKQLEAESIHIIREVAAEFDNPVMLYSIGKDSAVMLHLARKAFFPGKLPFPVMHVDTRWKFQEMYRFRDQMVEEMGLDLITHIN--------------SAKHTDIMKTEGLKQALDKHGFDAAFGGARRDEEKSRAKERVYSFRDSKHRWDPKNQRPELWNVYNGNVNKGESIRVFPLSNWTELDIWQYIYLEGIPIVPLYFAA------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1ZUN.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 : 830 -87566 -105.50 -451.37 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -105.50 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_1ZUN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ZUN-query.scw PDB file : Tito_Scwrl_1ZUN.pdb: