Huynen M A, Perelson A, Vieira W A, Stadler P F
Theoretical Division and Center for Non-Linear Studies, Los Alamos Natl. Lab. NM 87545, USA.
J Comput Biol. 1996 Summer;3(2):253-74. doi: 10.1089/cmb.1996.3.253.
We have calculated the base pair probability distribution for the secondary structure of a full length HIV-1 genome using the partition function approach introduced by McCaskill (1990). By analyzing the full distribution of base pair probabilities instead of a restricted number of secondary structures, we gain more complete and reliable information about the secondary structure of HIV-1. We introduce methods that condense the information in the probability distribution to one value per nucleotide in the sequence. Using these methods we represent the secondary structure as a weighted average of the base pair probabilities, and we can identify interesting secondary structures that have relatively well-defined base pairing. The results show high probabilities for the known secondary structures at the 5'-end of the molecule that have been predicted on the basis of biochemical data. The Rev response element (RRE) appears as a distinct element in the secondary structure. It has a meta-stable domain at the high affinity site for the binding of Rev. The overall structure decomposes into fairly small independent structures in the first 4,000 bases of the molecule. The remaining 5,000 bases (excluding the terminal repeat) form a single, large structure, on top of which the RRE is located.
我们使用麦卡斯基尔(1990年)提出的配分函数方法,计算了全长HIV-1基因组二级结构的碱基对概率分布。通过分析碱基对概率的完整分布,而非数量有限的二级结构,我们获得了关于HIV-1二级结构更完整、可靠的信息。我们引入了一些方法,将概率分布中的信息浓缩为序列中每个核苷酸的一个值。利用这些方法,我们将二级结构表示为碱基对概率的加权平均值,并且能够识别出具有相对明确碱基配对的有趣二级结构。结果表明,基于生化数据预测的分子5'端已知二级结构具有高概率。Rev反应元件(RRE)在二级结构中表现为一个独特的元件。它在Rev结合的高亲和力位点有一个亚稳结构域。在分子的前4000个碱基中,整体结构分解为相当小的独立结构。其余5000个碱基(不包括末端重复序列)形成一个单一的大结构,RRE位于该结构之上。