Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKE-FFSIGEVSKLFNVKISALRYYDEIGLLKPEYKDEQTNYRYYSTQQFERLDTIKYLRALGLPINKLLDFYNSQNTNTLLHLLKSQQVEIDRKKKELERIERKISRRITHIEDAVNMPLHQISKIKLPAMRVAYLQHEYVLGHDIEHSLAELRTHLNVNEDIFIGKIGLSISAANVKAKQFDKYSSIFMILEDENEKTSSEIIFPSREYLQIRFKGSHPEAEPYYKKLLAYMKEHHYEVAGDSIEITLIDYGITNNLDNYVTEILLPIK 3D6Y Chain:A ((2-69)) -KESYYSIGEVSKLANVSIKALRYYDKIDLFKPAYVDPDTSYRYYTDSQLIHLDLIKSLKYIGTPLEEM----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3D6Y.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 : 216 -34440 -159.44 -514.03 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -159.44 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.720

(partial model without unconserved sides chains): PDB file : Tito_3D6Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D6Y-query.scw PDB file : Tito_Scwrl_3D6Y.pdb: