In-silico design and evaluation of an epitope-based serotype-independent promising vaccine candidate for highly cross-reactive regions of pneumococcal surface protein A

Table 3 Analysis of Dimplot 2D-interaction plot between PspA_1-5c+p residues and HLADRB1*01:01 molecule in the docked complex

PspA_1-5c+p-HLADRB1*01:01 docked complex
Atom name	Res. No.	Res. name	H-Bond Distance (A°)	Atom name	Res. No.	Res. name	H-bond distance (A°)
PspA_1-5c+p				HLADRB1*01:01 (A chain)
OE2	10	Glu	2.95	NE	100	Arg	2.95
OE1	88	Glu	2.77	NH2	100	Arg	2.77
ND1	3	His	2.79	OE2	98	Glu	2.79
NZ	94	Lys	2.71	OE1	98	Glu	2.71
NZ	11	Lys	2.7	OE1	179	Glu	2.7
NZ	11	Lys	2.56	OE2	179	Glu	2.56
NZ	11	Lys	2.43	O	180	Phe	2.43
NZ	11	Lys	3.04	O	181	Asp	3.04
PspA_1-5c+p				HLADRB1*01:01 (B chain)
O	109	Asn	3.06	N	174	Gln	3.06
ND2	109	Asn	2.85	O	135	Gly	2.85
OE2	101	Glu	2.74	NH2	189	Arg	2.74
OE1	36	Glu	2.81	Nh2	189	Arg	2.81
OE2	101	Glu	3.05	N	187	Glu	3.05
OD1	233	Asp	2.94	NE2	136	Gln	2.94
NH2	237	Arg	2.7	OE1	136	Gln	2.7
NH1	237	Arg	2.76	OE1	136	Gln	2.76

ISSN: 1479-5876