Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKE-FFSIGEVSKLFNVKISALRYYDEIGLLKPEYKDEQTNYRYYSTQQFERLDTIKYLRALGLPINKLLDFYNSQNTNTLLHLLKSQQVEIDRKKKELERIERKISRRITHIEDAVNMPLHQISKIKLPAMRVAYLQHEYVLGHDIEHSLAELRTHLNVNEDIFIGKIGLSISAANVKAKQFDKYSSIFMILEDENEKTSSEIIFPSREYLQIRFKGSHPEAEPYYKKLLAYMKEHHYEVAGDSIEITLIDYGITNNLDNYVTEILLPIK 3IAO Chain:A ((1-73)) MKESYYSIGEVSKLANVSIKALRYYDKIDLFKPAYVDPDTSYRYYTDSQLIHLDLIKSLKYIGTPLEEM----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3IAO.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 : 199 -32637 -164.00 -479.95 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -164.00 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.671

(partial model without unconserved sides chains): PDB file : Tito_3IAO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IAO-query.scw PDB file : Tito_Scwrl_3IAO.pdb: