Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MQQACIAIIIILLTVAAYLAMVKLYKRFPLPFLIPVLTTTILIVAALMMFHVSYEGYMIG-GKW-INSLLGPAVVALAYPLY-KQWHIIVKHCVPILGGVL-----VGLCMGMISGLIFA--EA-FG-----IDHDLLLSILPKSITTPVAIQIAAGLG----------------GVPSMTVVFVMIAGFSG-VI-LGPLFL-KWLRIRSS-LGQGIALGSASHALGTSKALEYGELAVSMSSVSMT---LCAVLGSFFGPLVVWLFHI--- 4JYJ Chain:A ((27-296)) DGVRLEEGDAIDWIVFDRPQAANSFSATLLEQFSALVKDRQANG-----APVLGIRGSGRGFSSGMDLGEYNATSGPTSDVLRLSSYVERWLDLWRHPKPVIVAVHGYCIGVAAQLASFADILVVAEDAMISEPTIPIGGGFIAPTWVSHVGSRHAKEFAFLPGNRIDGRMAAAWGWANCAVPASEVIACCESLAQRMKLMPPAVLAMKKRSINRAMEAAG--FHAAASAIAESDALLHLEPEVTAIRNRLRTEDLKAVVGSYAGESSQEIFQRHGG

General information: TITO was launched using: RESULT: Template: 4JYJ.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 : 1120 -79334 -70.83 -355.76 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -70.83 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.153

(partial model without unconserved sides chains): PDB file : Tito_4JYJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JYJ-query.scw PDB file : Tito_Scwrl_4JYJ.pdb: