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

General information: TITO was launched using: RESULT: Template: 2DKG.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 : 1239 -99503 -80.31 -436.41 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -80.31 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_2DKG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DKG-query.scw PDB file : Tito_Scwrl_2DKG.pdb: