Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------MNELKDFFFLGKPIQTEIGEIDFIRLKDYPLYTKELSMLRMNKKSLIKEYSRFNEDGSLDPFIIEMKKRDLY--------EIVHSVLPDFHEAYFKVFSKVLINKDSLSLIGKHNFPRLRKLILDMHCITEDKVVDNDELQEFHDISKSLKQQDSQSDLKDIVSCVAAFNGYTYEEISEMTMYQLYLSFYRMAEV------MNYNTTTLFATVSPDVK-VSDWSSHINLYKEESYHLSTKDAKNI----EQLFGG- 1W5C Chain:D ((1-350)) MTIAIGRAPAERGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLLLLWGPEAQGDFTRWCQLG-GLWTFIALHGAFGLIGFMLRQFEIARLVGVRPYNAIAFS-APIAVFVSVFLIYPLGQSSWFFAPSFGVAAIFRFLLFF-QGFHNWTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTANRFWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMAPQDQPHENFVFPEEVLPRGN

General information: TITO was launched using: RESULT: Template: 1W5C.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 740 -38310 -51.77 -164.42 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain D : 0.55 3D Compatibility (PKB) : -51.77 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.067

(partial model without unconserved sides chains): PDB file : Tito_1W5C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W5C-query.scw PDB file : Tito_Scwrl_1W5C.pdb: