Table 4.

The MR result of Calcium ATPase from 1SU4 to 1T5S by using MolRep and AMoRe respectively. One can distinguish peaks as result of rotational function calculated by MolRep, while the AMoRe cannot reveal the clear differences between peaks

	MolRep					AMoRe
	α	β	γ	RotF	RotF/sigma	α	β	γ	CCF	RFF	CCI
Domain M
1	277.05	15.08	12.10	825.8	4.83	281.12	16.59	11.03	31.7	58.7	41.0
2	15.36	10.32	190.35	813.4	4.76	282.33	18.50	11.41	31.3	58.8	40.7
3	299.43	51.58	24.42	799.6	4.68	326.59	41.80	17.25	30.8	58.8	38.8
4	354.56	16.48	207.06	719.0	4.21	309.29	23.15	354.25	30.6	58.9	40.3
5	58.03	17.59	150.54	710.6	4.16	329.52	41.64	16.98	30.4	59.1	38.3
Domain A
1	208.61	39.70	96.04	3396	4.76	333.03	26.55	97.54	32.5	57.7	38.1
2	68.95	66.51	131.32	2820	3.95	209.51	41.95	94.83	32.5	57.7	37.4
3	12.89	20.32	73.06	2807	3.94	37.18	31.58	359.14	32.2	58.0	39.6
4	175.99	49.55	53.16	2794	3.92	23.74	35.29	336.23	32.2	57.9	39.1
5	335.36	29.50	195.34	2792	3.92	60.33	55.15	312.09	32.2	57.9	38.7
Domain P
1	268.02	27.86	18.00	2503	4.29	271.50	26.61	14.22	33.7	57.7	40.2
2	269.29	24.28	18.97	2487	4.26	268.75	29.46	14.81	33.6	57.8	40.6
3	83.70	74.86	325.09	2406	4.12	274.62	25.20	13.91	33.6	57.7	40.4
4	233.99	17.51	16.40	2224	3.81	276.50	25.65	13.50	33.5	57.7	40.6
5	15.60	56.84	108.75	2179	3.73	231.00	16.50	21.50	33.5	57.9	41.5
Domain N
1	312.20	84.36	238.16	2038	9.34	312.15	84.77	237.64	36.7	55.9	41.2
2	228.38	90.00	58.73	953.4	4.37	226.99	90.00	56.23	32.6	57.5	37.5
3	45.05	80.44	188.35	925.2	4.24	226.00	90.00	53.75	32.2	57.6	37.2
4	348.01	65.83	202.04	874.5	4.01	69.66	56.65	258.94	31.7	58.1	38.8
5	168.46	53.70	163.46	857.3	3.93	329.21	71.90	218.50	31.5	57.9	38.2