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. 2024 Jul 16;43(4):858–868. doi: 10.1007/s10930-024-10218-9

Table 2.

Parameters of post-molecular dynamic analysis

Parameter APO S1516 (6aa) S785 (11aa) S578 (15aa) S1603 (18aa) S488 (24aa) P578 (15aa)
Receptor RMSD AVG 3.18 3.92 2.87 3.00 3.16 2.99 3.47
MIN 0.01 0.01 0.00 0.00 0.00 0.00 0.00
MAX 4.69 5.84 4.45 5.01 5.49 3.75 4.66
Peptide RMSD AVG - 4.66 3.16 3.90 6.82 3.61 4.44
MIN - 0.00 0.00 0.00 0.00 0.01 0.01
MAX - 6.20 4.50 5.76 8.43 5.46 5.70
Receptor RMSF AVG 1.74 1.79 1.47 1.41 1.90 1.41 1.57
MIN 0.65 0.67 0.52 0.56 0.67 0.52 0.61
MAX 9.18 9.14 6.46 8.17 7.68 5.18 7.03
ROG AVG 20.66 20.68 19.99 20.29 20.12 20.17 21.36
MIN 19.51 19.54 19.48 19.53 19.34 19.52 19.58
MAX 21.43 21.81 21.11 21.42 21.67 20.77 27.50