Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLENIDKSIQKQDILQGISLEVSPQKLTAFIGPNGAGKSTLLSIMSRLTKKDRGVLSIKGREIESWNSQELAQELTILKQKINYQAKLTVEELVSFGRFPYSRGRLRSEDWEKIRETLNYLELTNLKDRYINSLSGGQLQRVFIAMVLAQDTD-------FILLDEPLNNLDIKQSVSMMQILRRLVEELGKTIIIVLHDINMASQYADEIVAFKDGQVFSKGRTDQIMQADLLSQLYEIPITLADINDKKICIYS 4FI3 Chain:C ((5-246)) MQLQDVAESTR----LGPLSGEVRAGEILHLVGPNGAGKSTLLARMAGMTS-GKGSIQFAGQPLEAWSATKLALHRAYLSQQQTPPFATPVWHYLTLHQHDKTRTEL-------LNDVAGALALDDKLGRSTNQLSGGEWQRVRLAAVVLQITPQANPAGQLLLLDQPMCSLDVAQQSALDKILSALSQQ-GLAIVMSSHDLNHTLRHAHRAWLLKGGKMLASGRREEVLTPPNLAQAYGMNFRRLDIEGHRMLI--

General information: TITO was launched using: RESULT: Template: 4FI3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1175 -72724 -61.89 -309.46 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.78 3D Compatibility (PKB) : -61.89 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.506

(partial model without unconserved sides chains): PDB file : Tito_4FI3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FI3-query.scw PDB file : Tito_Scwrl_4FI3.pdb: