Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------MKKMRKRSFHELVMENKKELMTNTEYLNQLEEKLEQRFKQK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 1HZ4 Chain:A ((3-368)) EIKDIREDTMHAEFNALRAQVAINDGNPDEAERLAKLALEELPPGWFYSRIVATSVLGEVLHCKGELTRSLALMQQTEQMARQHDVWHYALWSLIQQSEILFAQGFLQTAWETQEKAFQLINEQHLEQLPMHEFLVRIRAQLLWAWARLDEAEASARSGIEVLSSYQPQQQLQCLAMLIQCSLARGDLDNARSQLNRLENLLGNGKYHSDWISNANKVRVIYWQMTGDKAAAANWLRHTAKPEFANNHFLQGQWRNIARAQILLGEFEPAEIVLEELNENARSLRLMSDLNRNLLLLNQLYWQAGRKSDAQRVLLDALKLANRTGFISHFVIEGEAMAQQLRQLIQLNTLPELEQHRAQRILREIN

General information: TITO was launched using: RESULT: Template: 1HZ4.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 : 83 4054 48.84 98.87 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : 48.84 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.060

(partial model without unconserved sides chains): PDB file : Tito_1HZ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HZ4-query.scw PDB file : Tito_Scwrl_1HZ4.pdb: