Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLLVKQELFKLIKKKSTAVLSVLLVVLLIGTALLAKKYTTIIDPVEMTAQLFSATSWIVFIMIAAASTIISM-EAQYGTLKNLLYRKYSRGEILVSKWITL------VIYSVYLYLL--AIIVTVLMKLILFPSIS-FTE-KVSTGQTLIQSLFTYTLGSYIGLWLILSLVLMIACF-INSSG---ASISAGIVFYFASSIISG-IL---IALI-QKWEWIKW-NPISMLNLQNQIGNEEIMKQLTHLSTNQMLFGNLAYIVLFLALGYLVFKRKNV------- 4JYJ Chain:A ((27-296)) ---------DGVRLEEGDAIDWIVFDRPQAANSF----SATLLEQFSALVKDRQANGAPVLGIRGSGRGFSSGMDLGEYNATSGPTSDVLRLSSYVERWLDLWRHPKPVIVAVHGYCIGVAAQLASFADILVVAEDAMISEPTIPIGGGFIAPTWVSHVGSRHAKEFAFLPGNRIDGRMAAAWGWANCAVPASEVIACCESLAQRMKLMPPAVLAMKKRSINRAMEAAGFHAAASAIAESDALLHLE--PEVTAIRNRLRTEDLKAVVGSYAGESSQEIFQRHGG

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 : 1243 -149652 -120.40 -618.40 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -120.40 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.157

(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: