Cucumber mosaic virus infection leads to mosaic symptoms on a broad range of crop plants. Mutation at positions 129 in the coat protein of virus causes alterations in the severity of symptoms caused by the viral infection. In our investigation, we performed long term molecular dynamics simulations to elucidate the effect of different amino acid substitutes (infectious and non-infectious) at position 129 in the coat protein of Cucumber mosaic virus using various structural parameters. We found that the contagious mutants displayed more flexibility at loops βE-αEF (129-136) and βF-βG loop (155-163) as compared to the non-infectious and native structures. This specific study at the atomic level yields innovative ideas for designing new therapeutic agents against the pathogen, which would further pave the path for researchers to control this devastating plant virus.

中文翻译：

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黄瓜花叶病毒外壳蛋白第 129 位氨基酸置换引起的结构变化。

黄瓜花叶病毒感染会导致多种作物出现花叶症状。病毒外壳蛋白第 129 位的突变会导致病毒感染引起的症状严重程度发生改变。在我们的研究中，我们进行了长期分子动力学模拟，以使用各种结构参数阐明黄瓜花叶病毒外壳蛋白 129 位不同氨基酸替代物（感染性和非感染性）的影响。我们发现，与非传染性和天然结构相比，传染性突变体在环 βE-αEF（129-136）和 βF-βG 环（155-163）处表现出更大的灵活性。这项原子水平的特定研究为设计针对病原体的新治疗剂提供了创新思路，