Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMYAIITYLLTRFTAIFHYVKTCQDMGKAKEKNSLAETPYNPSSPYSSTKAGSDLLVKAWVRSFGLRATISNCSNNYGPYQHIEKFIPRQVTNILSGIRPKLYGEGKNVRDWIHTNDHSSAVWLILTKGRIGETYLIGADGEEDNKTVMELILEMMGQPKDAYDHVNDRAGHDLRYAIDSTKLREELGWKPEFTNFRDGLADTIKWYEEHEDWWKKEKEAVEAAYAKNGQ 1R66 Chain:A ((124-322)) ------------------HVSTDEVYGSIDSGSWTESSPLEPNSPYAASKAGSDLVARAYHRTYGLDVRITRCCNNYGPYQHPEKLIPLFVTNLLDGGTLPLYGDGANVREWVHTDDHCRGIALVLAGGRAGEIYHIGGGLELTNRELTGILLDSLGADWSSVRKVADRKGHDLRYSLDGGKIERELGYRPQVS-FADGLARTVRWYRENRGWWEPLK------------

General information: TITO was launched using: RESULT: Template: 1R66.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 : 947 -30987 -32.72 -155.71 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -32.72 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.361

(partial model without unconserved sides chains): PDB file : Tito_1R66.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1R66-query.scw PDB file : Tito_Scwrl_1R66.pdb: