Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSTLRKDLIELFSQAGNEFISGQKISDALGCSRTAVWKHIEELRKEGYEVEAVRRKGYRLIKKPGKLSESEIRFGLKTEVMGQHLIYHDVLSSTQKTAHELANNNAPEGTLVVADKQTAGRGRMSRVWHSQEGNGVWMSLILRPDIPLQKTPQLTLLAAVAVVQGIEEAAGIQTDIKWPNDILINGKKTVGILTEMQAEEDRVRSVIIGIGINVNQQ-PNDFPDELKDIATSLSQAAGEKIDRAGVIQHILLCFEKRYRDYMTHGFTPIKLLWESYALGIGTNMRARTLNGTFYGKALGIDDEGVLLLETNEG-IKKIYSADIELG 2DXU Chain:B ((2-226)) --------------------------------------------------------------------------LGLKTSIIGRRVIYFQEITSTNEFAK---TSYLEEGTVIVADKQTMGHGALNRKWESPEG-GLWLSIVLSPKVPQKDLPKIVFLGAVGVVETLKEFS-IDGRIKWPNDVLVNYKKIAGVLVEGKGDK-----IVLGIGLNVNNKVPNG--------ATSMKLELGSEVPLLSVFRSLITNLDRLYLNFLKNPMDILNLVRDNMILGV----RVK----SFEGIAEDIDDFGRLIIRLDSGEVKKVI-------

General information: TITO was launched using: RESULT: Template: 2DXU.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 : 1181 -93198 -78.91 -427.51 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -78.91 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_2DXU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DXU-query.scw PDB file : Tito_Scwrl_2DXU.pdb: