Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSTLRKDLIELFSQAGNEFISGQKISDALGCSRTAVWKHIEELRKEGYEVEAVRRKGYRLIKKPGKLSESEIRFGLKTEVMGQHLIYHDVLSSTQKTAHELANNNAPEGTLVVADKQTAGRGRMSRVWHSQEGNGVWMSLILRPDIPLQKTPQLTLLAAVAVVQGIEEAAGIQTDIKWPNDILINGKKTVGILTEMQAEEDRVRSVIIGIGINVNQQ-PNDFPDELKDIATSLSQAAGEKIDRAGVIQHILLCFEKRYRDYMTHGFTPIKLLWESYALGIGTNMRARTL-NGTFYGKALGIDDEGVLLLETNEG-IKKIYSADIELG 2DJZ Chain:A ((2-232)) --------------------------------------------------------------------------LGLKTSIIGRRVIYFQEITSTNEFAK---TSYLEEGTVIVADKQTMGHGRLNRKWESPEG-GLWLSIVLSPKVPQKDLPKIVFLGAVGVVETLKEFS-IDGRIKWPNDVLVNYKAIAGVLVEGKGDK-----IVLGIGLNVNNKVPNG--------ATSMKLELGSEVPLLSVFRSLITNLDRLYLNFLKNPMDILNLVRDNMILGV----RVKILGDGSFEGIAEDIDDFGRLIIRLDSGEVKKVIYGDVSL-

General information: TITO was launched using: RESULT: Template: 2DJZ.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 : 1226 -101725 -82.97 -446.16 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -82.97 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_2DJZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DJZ-query.scw PDB file : Tito_Scwrl_2DJZ.pdb: