Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRSTLRKDLIELFSQAGNEFISGQKISDALGCSRTAVWKHIEELRKEGYEVEAVRRKGYRLIKKPGKLSESEIRFGLKTEVMGQHLIYHDVLSSTQKTAHELANNNAPEGTLVVADKQTAGRGRMSRVWHSQEGNGVWMSLILRPDIPLQKTPQLTLLAAVAVVQGIEEAAGIQTDIKWPNDILINGKKTVGILTEMQAEEDRVRSVIIGIGINVNQQPNDFPDELKDIATSLSQAAGEKIDRAGVIQHILLCFEKRYRDYMTHGFTPIKLLWESYALGIGTNMRARTLNGTFYGKALGIDDEGVLLLETNEG-IKKIYSADIELG-- 1WNL Chain:A ((1-235)) -------------------------------------------------------------------------MLGLKTSIIGRRVIYFQEITSTNEFAKT---SYLEEGTVIVADKQTMGHGRLNRKWESPEG-GLWLSIVLSPKVPQKDLPKIVFLGAVGVVETLKEF-SIDGRIKWPNDVLVNYKKIAGVLVEGKGD-----KIVLGIGLNVNNKV-------PNGATSMKLELGSEVPLLSVFRSLITNLDRLYLNFLKNPMDILNLVRDNMILGVRVKILG---DGSFEGIAEDIDDFGRLIIRLDSGEVKKVIYGDVSLRFL

General information: TITO was launched using: RESULT: Template: 1WNL.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 : 1282 -140004 -109.21 -603.46 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -109.21 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_1WNL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WNL-query.scw PDB file : Tito_Scwrl_1WNL.pdb: