Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSTLRKDLIELFSQAGNEFISGQKISDALGCSRTAVWKHIEELRKEGYEVEAVRRKGYRLIKKPGKLSESEIRFGLKTEVMGQHLIYHDVLSSTQKTAHELANNNAPEGTLVVADKQTAGRGRMSRVWHSQEGNGVWMSLILRPDIPLQKTPQLTLLAAVAVVQGIEEAAGIQTDIKWPNDILINGKKTVGILTEMQAEEDRVRSVIIGIGINVNQQ-PNDFPDELKDIATSLSQAAGEKIDRAGVIQHILLCFEKRYRDYMTHGFTPIKLLWESYALGIGTNMRARTLNGTFYGKALGIDDEGVLLLETNEG-IKKIYSADIELG 2EJG Chain:B ((2-231)) --------------------------------------------------------------------------LGLKTSIIGRRVIYFQEITSTNEFAK---TSYLEEGTVIVADKQTMGHGALNRKWESPEG-GLWLSIVLSPKVPQKDLPKIVFLGAVGVVETLKEFS-IDGRIKWPNDVLVNYKKIAGVLVEGKGDK-----IVLGIGLNVNNKVPNG--------ATSMKLELGSEVPLLSVFRSLITNLDRLYLNFLKNPMDILNLVRDNMILGV----RVKI----FEGIAEDIDDFGRLIIRL---EVKKVIYGDVS--

General information: TITO was launched using: RESULT: Template: 2EJG.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 : 1247 -105610 -84.69 -480.04 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -84.69 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_2EJG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2EJG-query.scw PDB file : Tito_Scwrl_2EJG.pdb: