Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDVEAIRKDFPILDQIVNDEPLVYLDNAATTQKPLVVLKAINSYYEQDNANVHRGVHTLAERATASYEAARETIRKFINAGSTKEVLFTRGTTTSLNWVAR-FAEEILTEGDQVLISVMEHHSNIIPWQEACRKTGAELVYVYLK-DGALDMEGLRAKLTDKVKFVSLAHASNVLGVVNPIKEITQLAHQVGAIMVVDGAQSTPHMKIDVQDLDLDFFAFSAHK-MAGPTGIGVLYGKEKYLEQMSPVEFGGEMIDFVYEQSASWKELPWKFEAGTPNMAGAIGLATAVDYLEKIGMDAIEAHEQELIAYVYPKLQAIEGLTIYGSQDLAQRSGVIAFNLGDLHPHDLATALDYEGVAVRAGHHCAQPLLQYLEVPATARASFYIYNTKADCDKLVDALQKTKEFFNGTF 5B89 Chain:B ((25-417)) ----EDVRKDIPLTN------EVIYFDNTATSLTPKPVVEAMDEYYLKYRANVHRGVHRLSQMATHKYEESRKIVADFIGAK-FEEIVFTKNTSESLNLVALGLGHI-FKRGDKIVTTPYEHHSDLLPWQRLATKLGLKLEFIEGDDEGNLDLSDAEKKIK-GAKLVAVQHVSNALGVIHEVEELGKIAKDEGAIFVVDAAQSAGHMEVNVKKLHADFLAFSGHKGPMGPTGIGVLYIREEFFDTFEPPLIGGGTIEDVSLDGYKLTEPPERFEAGTPNIGGAIGLAAGIRYIERIGLGRIERQEHKLVKRTTEGLDEL-EVPWYGPRNLKKHAGVVSFNVPGLHPHDVAAILDDHSIMVRSGHH-ALPVMKKLGINGTVRASFHVYNSLEEVETFLGVMEELVKGL----

General information: TITO was launched using: RESULT: Template: 5B89.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2309 -51597 -22.35 -132.64 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -22.35 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_5B89.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5B89-query.scw PDB file : Tito_Scwrl_5B89.pdb: