Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSTLRKDLIELFSQAGNEFISGQKISDALGCSRTAVWKHIEELRKEGYEVEAVRRKGYRLIKKPGKLSESEIRFGLKTEVMGQHLIYHDVLSSTQKTAHELANNNAPEGTLVVADKQTAGRGRMSRVWHSQEGNGVWMSLILRPDIPLQKTPQLTLLAAVAVVQGIEEAAGIQTDIKWPNDILINGKKTVGILTEMQAEEDRVRSVIIGIGINVNQQ-PNDFPDELKDIATSLSQAAGEKIDRAGVIQHILLCFEKRYRDYMTHGFTPIKLLWESYALGIGTNMRARTL-NGTFYGKALGIDDEGVLLLETNEG-IKKIYSADIELG 2E41 Chain:A ((2-232)) --------------------------------------------------------------------------LGLKTSIIGRRVIYFQEITSTNEFAK---TSYLEEGTVIVADKQTMGHGALNRKWESPEG-GLWLSIVLSPKVPQKDLPKIVFLGAVGVVETLKEFS-IDGRIKWPNDVLVNYKAIAGVLVEGKGDK-----IVLGIGLNVNNKVPNG--------ATSMKLELGSEVPLLSVFRSLITNLDRLYLNFLKNPMDILNLVRDNMILGV----RVKILGDGSFEGIAEDIDDFGRLIIRLDSGEVKKVIYGDVSL-

General information: TITO was launched using: RESULT: Template: 2E41.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 : 1222 -103225 -84.47 -452.74 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -84.47 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_2E41.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2E41-query.scw PDB file : Tito_Scwrl_2E41.pdb: