This figure comes from an article about predicting protein structures with a multiplayer online ame and is titled, “Puzzles in which human predictors significantly outperformed the Rosetta ebuild and refine protocol". It is given the following description:
This figure comes from an article about predicting protein structures with a multiplayer online ame and is titled, “Puzzles in which human predictors significantly outperformed the Rosetta ebuild and refine protocol". It is given the following description:
This figure comes from an article about predicting protein structures with a multiplayer online ame and is titled, “Puzzles in which human predictors significantly outperformed the Rosetta ebuild and refine protocol". It is given the following description:
In addition to in the information given in the pictures, researchers provide further descriptions for the figure stating:
Players were also able to restructure b-sheets to improve hydrophobic burial and hydrogen bond quality. Automated methods have difficulty performing major protein restructuring operations to change b-sheet hydrogen-bond patterns, especially once the solution has settled in a local low-energy basin. Players were able to carry out these restructuring operations in such scenarios as strand swapping (Fig. 3) and register shifting. In one strand-swap puzzle, Foldit players were able to get within
1.1 A° of the native structure, with the top-scoring Foldit prediction being 1.4 A° away. A superposition between the starting Foldit puzzle, the top-scoring Foldit solution, and model 1 of the native NMR structure 2kpo (Protein Data Bank) are shown in Fig. 3b. Rosetta's rebuild and refine protocol, however, was unable to get within 2 A ° of the native structure (Fig. 3a, yellow points). This example highlights a key difference between humans and computers. As shown in Fig. 3c, solving the strand-swap problem required substantially unraveling the structure (Fig.
3c, bottom), with a corresponding unfavorable increase in energy (Fig. 3c, top). Players persisted with this reconfiguration despite the energy increase because they correctly recognized that the swap could ultimately lead to lower energies. In contrast, although the Rosetta rebuild and refine protocol did sample some partially swapped conformations (Fig. 3a, leftmost yellow point), these were not retained in subsequent generations owing to their relatively high energies, resulting in the top-scoring Rosetta prediction being further from the native than the starting structure. Human players are also able to distinguish which starting point will be most useful to them. Figure 3d, e shows a case where players were given ten different Rosetta predictions to choose from. Players were able to identify the model closest to the native structure, and to improve it further. Given the same ten starting models, the Rosetta rebuild and refine protocol was unable to get as close to the native structure as the top-scoring Foldit predictions.
1. Based on these descriptions, describe the trends and patterns shown in the figure. (10 sentences minimum) and explain how those trends are relevant to predicted experimental outcomes. (4 sentences minimum)
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