Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDVEAIRKDFPILDQIVNDEPLVYLDNAATTQKPLVVLKAINSYYEQDNANVHRGVHTLAERATASYEAARETIRKFINAGSTKEVLFTRGTTTSLNWVARFAEEILTEGDQVLISVMEHHSNIIPWQEACRKTGAELVYVYLKD-GALDMEGLRAKLTDKVKFVSLAHASNVLGVVNPIKEITQLAHQVGAIMVVDGAQSTPHMKIDVQDLDLDFFAFSAHKMA-GPTGIGVLYGKEKYLEQMSPVEFGGEMIDFVYEQSASWKELPWKFEAGTPNMAGAIGLATAVDYLEKIGMDAIEAHEQELIAYVYPKLQAIEGLTIYGSQDLAQRSGVIAFNLGDLHPHDLATALDYEGVAVRAGHHCAQPLLQYLEVPATARASFYIYNTKADCDKLVDALQKTKEFFNGTF 5B7U Chain:A ((25-412)) ----EDVRKDIPLTNEVI------YFDNTATSLTPKPVVEAMDEYYLKYRANVHRGVHRLSQMATHKYEESRKIVADFIGA-KFEEIVFTKNTSESLNLVALGLGHIFKRGDKIVTTPYEHHSDLLPWQRLATKLGLKLEFIEGDDEGNLDLSDAEKKIKG-AKLVAVQHVSNALGVIHEVEELGKIAKDEGAIFVVDAAQSAGHMEVNVKKLHADFLAFSGHKGPMGPTGIGVLYIREEFFDTFEPPLIGGGTIEDVSLDGYKLTEPPERFEAGTPNIGGAIGLAAGIRYIERIGLGRIERQEHKLVKRTTEGLDELE-VPWYGPRNLKKHAGVVSFNVPGLHPHDVAAILDDHSIMVRSGHH-ALPVMKKLGINGTVRASFHVYNSLEEVETFLGVMEE---------

General information: TITO was launched using: RESULT: Template: 5B7U.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 : 2295 -25135 -10.95 -65.28 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -10.95 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_5B7U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5B7U-query.scw PDB file : Tito_Scwrl_5B7U.pdb: