Table 2. Energies of interaction of... | Rockefeller University Press

Table 2.

Energies of interaction of DNA-PKcs with E7766, ADU-S100, 2′3′-cGAMP, and 3′3′-cGAMP

		Energy	Strain	VDW	Electrostatic
E7766	ALL:	−30,117.9	1,047.319	6,185.434	−38,134.0
E7766	INT:	−356.591	0.000	−34.800	−321.791
3′3′-cGAMP	ALL:	−29,962.4	1,144.894	6,179.537	−38,141.1
3′3′-cGAMP	INT:	−237.989	0.000	−44.032	−193.956
2′3′-cGAMP	ALL:	−28,940.5	1,386.534	6,972.405	−38,159.4
2′3′-cGAMP	INT:	−172.032	0.000	34.283	−206.314
ADU-S100	ALL:	−28,640.3	1,469.651	7,567.148	−38,477.2
ADU-S100	INT:	932.682	0.000	1,321.216	−388.534

		Energy	Strain	VDW	Electrostatic
E7766	ALL:	−30,117.9	1,047.319	6,185.434	−38,134.0
E7766	INT:	−356.591	0.000	−34.800	−321.791
3′3′-cGAMP	ALL:	−29,962.4	1,144.894	6,179.537	−38,141.1
3′3′-cGAMP	INT:	−237.989	0.000	−44.032	−193.956
2′3′-cGAMP	ALL:	−28,940.5	1,386.534	6,972.405	−38,159.4
2′3′-cGAMP	INT:	−172.032	0.000	34.283	−206.314
ADU-S100	ALL:	−28,640.3	1,469.651	7,567.148	−38,477.2
ADU-S100	INT:	932.682	0.000	1,321.216	−388.534

ALL, complex energy; INT, interaction energy; VDW, Van der Waals. Calculated energies are expressed in kcal.mol⁻¹.