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Table 1 Top 10 hot spots of interaction (according to free energy of binding) between HLA-DRB1*03:01, human SLA/LP 452-465 , and the corresponding PS 120 790-804 from R. prowazekii

From: Structural mimicry between SLA/LP and Rickettsia surface antigens as a driver of autoimmune hepatitis: insights from an in silico study

HLA-DRB1*03:01 SLA/LP Free energy (Kcal/mol)
Asp B57 Arg 462 −7.382
Glu A55 Arg 453 −5.015
Asp A66 Lys 459 −4.108
Glu B9 Lys 549 −2.518
Arg A76 Arg 465 −2.381
Leu B53 Arg 462 −2.013
Ser B11 Lys 459 −1.879
Tyr B78 Cys 457 −1.158
Val B85 Leu 454 −1.130
Phe A54 Leu 454 −1.081
HLA-DRB1*03:01 PS 120 Free energy (Kcal/mol)
Lys B71 Glu 795 −5.191
Asp A66 Lys 797 −3.279
Arg B74 Glu 795 −3.153
Glu B9 Lys 797 −2.671
Arg B74 Leu 796 −1.972
Asp B57 Asn 800 −1.425
Tyr B61 Ile 801 −1.235
Glu A55 Arg 794 −1.211
Phe A54 Leu 792 −1.121
Val B85 Leu 792 −1.057