Table 7.

Differences in total free binding energies and in each energy term corresponding to the energetic influences identified in EF–(0Ca-CaM) (⁰), EF–(2Ca-CaM) (²), and EF–(4Ca-CaM) (⁴), given in kcal/mol below, in the legend

	ΔΔΔEele	ΔΔΔEvdw	ΔΔΔEint	ΔΔΔGsolpolar	ΔΔΔGsolnonpolar	ΔΔΔG
Short-range influences
CA → SC (0)	430 ± 64	105 ± 6	−8 ± 2	−478 ± 60	3 ± 2	52 ± 14
CA → SC (2)	408 ± 38	107 ± 7	−9 ± 2	−464 ± 37	7 ± 2	49 ± 14
CA → SC (4)	407 ± 34	116 ± 8	−9 ± 2	−457 ± 34	6 ± 2	63 ± 15
SA → C-CaM (0)	803 ± 47	82 ± 6	0 ± 0	−807 ± 45	2 ± 2	80 ± 10
SA ↔ C-CaM (2)	612 ± 47	79 ± 8	0 ± 0	−603 ± 46	2 ± 2	90 ± 14
SA → C-CaM (4)	565 ± 37	77 ± 5	0 ± 0	−585 ± 33	0 ± 1	56 ± 9
Hel ↔ N-CaM (0)	1715 ± 82	84 ± 8	0 ± 0	−1738 ± 89	−7 ± 2	54 ± 17
Hel → N-CaM (2)	1411 ± 58	49 ± 8	0 ± 0	−1450 ± 60	−11 ± 2	−1 ± 14
N-CaM → Hel (4)	1128 ± 76	64 ± 8	0 ± 0	−1159 ± 78	−6 ± 2	28 ± 11
Hel → C-CaM (2)	666 ± 39	55 ± 5	0 ± 0	−689 ± 35	−6 ± 1	25 ± 15
Hel → C-CaM (4)	768 ± 29	66 ± 5	0 ± 0	−807 ± 32	−8 ± 1	19 ± 13
SC → N-CaM (0)	552 ± 29	3 ± 2	0 ± 0	−531 ± 28	0 ± 1	25 ± 6
N-CaM → SC (2)	473 ± 27	4 ± 2	0 ± 0	−451 ± 27	0 ± 1	26 ± 5
N-CaM → SC (4)	442 ± 34	6 ± 3	0 ± 0	−417 ± 31	−3 ± 1	29 ± 11
SA → N-CaM (2)	692 ± 58	12 ± 2	0 ± 0	−682 ± 56	−4 ± 1	18 ± 7
Long-range influences
CB → N-CaM (2)	84 ± 13	0 ± 0	0 ± 0	−80 ± 13	0 ± 0	4 ± 2
CB → N-CaM (4)	106 ± 14	0 ± 0	0 ± 0	−105 ± 13	0 ± 0	1 ± 1
CB → SA (4)	22 ± 23	11 ± 4	0 ± 0	−34 ± 22	−3 ± 1	−5 ± 7
CB → Hel (4)	−55 ± 6	0 ± 0	0 ± 0	54 ± 7	0 ± 0	−1 ± 1

$\Delta \Delta \Delta G[D\ast \leftrightarrow D]=\Delta \Delta G[D,C\backslash D\ast ]-\Delta \Delta G[D,C]=\Delta \Delta G[D\ast ,C\backslash D]-\Delta \Delta G[D\ast ,C]$. The arrow in $\Delta \Delta \Delta G[D\ast \to D]$ indicates that removal of D^∗ lowers the rank of D, and reciprocally. The arrow in $\Delta \Delta \Delta G[D\ast \leftrightarrow D]$ indicates that removal of D also lowers the rank of D^∗ (see Fig. 8). The quantity $\Delta \Delta \Delta G[D\ast \leftrightarrow D]$ is symmetric with respect to D and D^∗.