Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNALTQELVELLTLEKLEENIYRGISRNLVGKRVFGGQVLGQALRAASYTTDRPAHSLHAYFLYGGDINAPIIYEVDRLRDGKSFVSRQVRAIQHGRVIFSAMVSFANPEEGLNYQHPEPDYPAPEALKSESELKEGILNFVPENVRASFMRERHVEIRPIDPVNPFQPQPEAPFNAHYIRTHDRIPKQLEDISLHQAIVAFYSDFTLMTTALRPHGLSYISPSLQCASIDHAIYFHRPLRADEWMLYDMEATVSAASRGLNFGRMWQNGQLVCSTVQEGLMRLREIETQ 3BBJ Chain:A ((31-123)) ----------------------------LIGTAMNGGYLMTVLQRSALAESDHLHAVSSSYHFHRPASSGPAEIETRVLKRGRTVTTVQTTLFQEGRTILTGTLATATLDP-----HAEPRYAAPQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BBJ.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 : 357 -33444 -93.68 -359.61 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -93.68 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_3BBJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BBJ-query.scw PDB file : Tito_Scwrl_3BBJ.pdb: