Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRKPFIAGNWKMNKNPEEAKAFVEAV-ASKLPSSDLVEAGIAAPALDLTTVLAVAKGSNLKVAAQNCYFENAGAFTGETSPQVLKEIGTDYVVIGHSERRDYFHETDEDINKKAKAIFANGMLPIICCGESLETYEAGKAAEFVGAQVSAALAGLTAEQVAASVIAYEPIWAIGTGKSASQDDAQKMCKVVRDVVAADFGQEVADKVRVQYGGSVKPENVASYMACPDVDGALVGGASLEAESFLALLDFVK 3YPI Chain:B ((1-238)) -ARTFFVGGNFKLNGSKQSIKEIVERLNTASIPEN--VEVVICPPATYLDYSVSLVKKPQVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGQSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLE--EVKDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPE----------

General information: TITO was launched using: RESULT: Template: 3YPI.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 : 1246 -6036 -4.84 -25.47 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -4.84 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.497

(partial model without unconserved sides chains): PDB file : Tito_3YPI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3YPI-query.scw PDB file : Tito_Scwrl_3YPI.pdb: