. Author manuscript; available in PMC: 2016 Feb 25.

Published in final edited form as: J Chem Theory Comput. 2007 Nov;3(6):2083–2097. doi: 10.1021/ct7001336

Table 4.

The electrostatic solvation free energy (kcal/mole) for 55 proteins within the PMPB and GK continuum models. The number of atoms and total charge of each protein is listed along with the signed and unsigned relative difference of the GK model to PMPB.

			Energy		% Difference

	N_atoms	Q	PMPB	GK	Signed	Unsigned
1A6M	2435	2	−2831	−2765	2.3	2.3
1AHO	936	0	−1161	−1158	0.3	0.3
1BYI	3383	−4	−3861	−3873	−0.3	0.3
1C75	985	−6	−1733	−1742	−0.5	0.5
1C7K	1927	−5	−2523	−2481	1.7	1.7
1CEX	2867	1	−3161	−3212	−1.6	1.6
1EB6	2566	−15	−5044	−5042	0.1	0.1
1EJG	642	0	−580	−614	−6.0	6.0
1ETL	140	−1	−246	−247	−0.5	0.5
1EXR	2240	−25	−8656	−8620	0.4	0.4
1F94	967	2	−1240	−1226	1.1	1.1
1F9Y	2535	−5	−2964	−2968	−0.2	0.2
1G4I	1842	−1	−2356	−2345	0.5	0.5
1G66	2794	−2	−2826	−2824	0.1	0.1
1GQV	2135	7	−2708	−2723	−0.6	0.6
1HJE	175	1	−264	−269	−2.0	2.0
1IQZ	1171	−17	−4663	−4729	−1.4	1.4
1IUA	1207	−1	−1400	−1419	−1.4	1.4
1J0P	1597	8	−2975	−2934	1.4	1.4
1K4I	3253	−6	−4085	−4099	−0.3	0.3
1KTH	885	0	−1469	−1448	1.4	1.4
1L9L	1226	11	−3182	−3150	1.0	1.0
1M1Q	1236	−4	−2084	−2077	0.3	0.3
1NLS	3564	−7	−4743	−4756	−0.3	0.3
1NWZ	1912	−6	−2768	−2760	0.3	0.3
1OD3	1893	−3	−2105	−2104	0.0	0.0
1OK0	1076	−5	−1578	−1571	0.5	0.5
1P9G	519	4	−814	−817	−0.4	0.4
1PQ7	3065	4	−2946	−2942	0.1	0.1
1R6J	1230	0	−1486	−1477	0.6	0.6
1SSX	2755	8	−3000	−2980	0.7	0.7
1TG0	1029	−12	−3017	−3014	0.1	0.1
1TQG	1660	−7	−2920	−2900	0.7	0.7
1TT8	2676	1	−2762	−2758	0.1	0.1
1U2H	1495	2	−2038	−2002	1.8	1.8
1UCS	997	0	−1027	−1042	−1.4	1.4
1UFY	1911	0	−2130	−2145	−0.7	0.7
1UNQ	1947	−1	−3217	−3155	1.9	1.9
1VB0	913	3	−1246	−1232	1.1	1.1
1VBW	1056	8	−1931	−1927	0.2	0.2
1W0N	1756	−5	−2380	−2356	1.0	1.0
1WY3	560	1	−750	−747	0.3	0.3
1X6Z	1720	−1	−2170	−2198	−1.3	1.3
1X8Q	2815	−1	−3739	−3714	0.7	0.7
1XMK	1268	1	−1723	−1724	0.0	0.0
1YK4	774	−8	−1893	−1920	−1.4	1.4
1ZZK	1243	1	−1730	−1699	1.8	1.8
2A6Z	3430	−3	−4203	−4186	0.4	0.4
2BF9	560	−2	−933	−940	−0.8	0.8
2CHH	1624	−3	−2128	−2131	−0.1	0.1
2CWS	3400	−3	−3651	−3616	1.0	1.0
2ERL	567	−6	−1178	−1179	0.0	0.0
2FDN	731	−8	−1746	−1796	−2.9	2.9
2FWH	1830	−6	−2495	−2502	−0.3	0.3
3LZT	1960	8	−2754	−2723	1.1	1.1

Mean	1692	−1.9	−2458	−2454	0.0	0.9