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目的多参数预测广州地区人巨细胞病毒(HCMV)临床低传代病毒株UL136基因B细胞表位。方法应用改进型自我优化预测结构(SOPMA),Garnier-Osguthorpe-Robson(GOR),人工神经网络预测法(HNN)预测二级结构;应用隐马尔可夫模型(TMHMM)预测跨膜结构;应用Hopp&Woods亲水性方案、Emini可及性方案、Jameson-Wolf抗原性方案等参数综合预测UL136基因B细胞表位。结果 HCMV UL136氨基酸包含240个氨基酸残基,相对分子质量约为27.3 k D,等电点为8.26。TMHMM预测UL136存在一个跨膜区域,为65~87aa区域,胞外区域为88~240aa区域。多参数预测显示:亲水性位于18~29、46~61、94~100、110~144、152~169、171~186、190~202、229~236aa区域;表面可及性位于19~26、49~61、89~97、110~127、161~167、173~182、196~202、229~234aa区域;极性位于18~29、31~36、51~59、94~102、111~130、155~163、178~182aa区域;柔韧性位于18~28、46~60、115~142、148~156、160~205、226~236aa区域;抗原性位于4~9、16~32、45~62、92~101、106~144、150~157、160~206、228~240aa区域。二级结构预测显示:以α-螺旋为主,无规则卷及β-转角区域主要位于5~10、45~61、108~113、129~139、163~182、187~192、195~204、229~234aa区域。ABCpred服务器综合分析显示:45~60、194~209、6~21、186~201、116~131、54~69、151~166、122~137、223~238aa区域分值较高。抗原指数(AI)预测显示:115~130、196~204、163~182、229~234aa区域AI较高。结论 HCMV UL136基因B细胞表位可能位于115~130、196~204、229~234aa区域内或其附近区域,预测UL136 B细胞表位为HCMV的治疗提供了实验依据。
Objective To predict the B cell epitopes of UL136 gene of human hypomellovirus (HCMV) clinical low pass virus strain in Guangzhou area with multiple parameters. Methods The secondary structure was predicted by using improved self-optimizing predictive structure (SOPMA), Garnier-Osguthorpe-Robson (GOR) and artificial neural network prediction (HNN) prediction. The HMPN was predicted by using the Hidden Markov Model (TMHMM) Hydrophilicity scheme, Emini accessibility scheme, Jameson-Wolf antigenic scheme and other parameters to predict the B cell epitope of UL136 gene. Results The amino acid of HCMV UL136 contains 240 amino acid residues with a relative molecular mass of 27.3 kD and an isoelectric point of 8.26. TMHMM predicts that there is a transmembrane region in UL136, which is 65-87aa region and extracellular region is 88-240aa region. The multi-parameter prediction shows that the hydrophilicity is in the region of 18-29, 46-61, 94-100, 110-144, 152-169, 171-186, 190-220, 229-236 aa and the surface accessibility is in the range of 19-26 , 49~61, 89~97, 110~127, 161~167, 173~182, 196~202, 229~234 a; the polarities are in the range of 18~29, 31~36, 51~59, 94~102, and 111 ~ 130,155 ~ 163,178 ~ 182aa; Flexibility is in the region of 18 ~ 28,46 ~ 60,115 ~ 142,148 ~ 156,160 ~ 205,226 ~ 236aa; Antigenicity is in the range of 4 ~ 9,16 ~ 32 , 45 to 62, 92 to 101, 106 to 144, 150 to 157, 160 to 206, and 228 to 240aa. The secondary structure prediction shows that the α-helix is the main part, and the random coil and β-turn region are mainly located in the range of 5 ~ 10,45 ~ 61,108 ~ 113,129 ~ 139,163 ~ 182,187 ~ 192,195 ~ 204 , 229 ~ 234aa area. ABCpred server comprehensive analysis shows that: 45 ~ 60,194 ~ 209,6 ~ 21,186 ~ 201,116 ~ 131,54 ~ 69,151 ~ 166,122 ~ 137,223 ~ 238aa higher score. The prediction of antigenic index (AI) showed that AI of 115 ~ 130,196 ~ 204,163 ~ 182,229 ~ 234aa was higher. Conclusion The B cell epitopes of HCMV UL136 gene may be located in the region of 115-130, 196-204, 229- 234aa or in the vicinity of the HCMV UL136 gene. It provides an experimental basis for the treatment of HCMV by UL136 B cell epitopes.