4XLS: Base Pair Morphology Parameters

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As of 31-May-2023 number of released structures: 12820

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NDB ID: 4XLS PDB ID: 4XLS

Base Pair Morphology Parameters

CSV Format

Model Number	Pair Number	Pair Name	Shear	Stretch	Stagger	Buckle	Propellor	Opening
1	5	O_DA5:DT21_P	-0.571	-0.261	0.128	0.331	-5.959	-0.343
1	7	O_DA7:DT19_P	-0.556	-0.273	-0.736	-7.001	-20.441	-3.831
1	8	O_DA8:DT18_P	0.122	-0.104	-0.496	-8.651	-27.492	-3.806
1	9	O_DA9:DT17_P	-0.583	0.295	-0.108	-9.532	-23.179	12.183
1	10	O_DA10:DT16_P	0.717	0.337	0.657	-1.724	-26.836	10.539
1	16	O_DA16:DT10_P	-1.567	-0.044	0.526	0.13	-20.022	9.731
1	17	O_DA17:DT9_P	-0.536	-0.275	0.256	4.423	-19.689	-2.886
1	18	O_DA18:DT8_P	-1.001	-0.013	0.332	4.229	-4.16	3.212
1	1	O_DC1:DG25_P	-0.205	-0.012	1.104	-9.672	11.972	15.602
1	6	O_DC6:DG20_P	1.929	-0.069	0.013	5.39	4.157	5.904
1	24	O_DC24:DG2_P	-0.913	-0.345	0.165	6.981	32.273	7.248
1	4	O_DG4:DC22_P	-0.793	-0.323	-0.263	5.837	-7.067	-1.07
1	11	O_DG11:DC15_P	-2.179	-0.478	1.414	-3.012	-9.118	18.347
1	13	O_DG13:DC13_P	-2.396	-0.429	0.19	-1.52	-1.879	11.152
1	21	O_DG21:DC5_P	-1.222	-0.176	0.767	-13.72	0.954	10.685
1	23	O_DG23:DC3_P	-1.178	0.049	0.378	6.172	5.669	4.87
1	2	O_DT2:DA24_P	-1.227	-0.205	-0.092	-20.724	-18.028	9.259
1	3	O_DT3:DA23_P	-1.055	0.306	-0.713	3.519	-7.616	5.878
1	12	O_DT12:DA14_P	0.353	0.071	0.51	2.517	-6.774	4.736
1	14	O_DT14:DA12_P	0.999	-0.47	0.236	11.268	-11.467	0.054
1	15	O_DT15:DA11_P	-0.06	-0.047	0.422	-0.23	-10.145	15.025
1	19	O_DT19:DA7_P	0.671	-0.216	1.106	-0.157	-22.422	5.836
1	20	O_DT20:DA6_P	0.421	0.181	1.066	-12.546	-25.726	1.798
1	22	O_DT22:DA4_P	0.486	-0.265	0.547	-5.056	-4.458	-4.259
1	29	R_DA5:DT21_S	-0.525	-0.251	0.263	0.878	-7.539	-1.673
1	31	R_DA7:DT19_S	-0.561	-0.304	-0.785	-6.343	-21.696	-2.017
1	32	R_DA8:DT18_S	0.179	-0.096	-0.588	-9.839	-27.715	-3.128
1	33	R_DA9:DT17_S	-0.431	0.188	-0.31	-10.271	-23.522	11.45
1	34	R_DA10:DT16_S	1.319	0.148	0.46	0.439	-22.478	9.59
1	40	R_DA16:DT10_S	-1.664	0.156	0.562	-0.588	-21.305	13.828
1	41	R_DA17:DT9_S	-0.538	-0.272	-0.007	-0.118	-20.876	-1.509
1	42	R_DA18:DT8_S	-1.325	0.131	0.02	-0.919	-5.454	5.834
1	25	R_DC1:DG25_S	0.926	-0.476	-0.89	5.62	-7.416	0.007
1	30	R_DC6:DG20_S	1.714	-0.131	-0.142	7.755	6.474	5.178
1	48	R_DC24:DG2_S	-0.206	-0.221	0.548	3.628	27.373	7.695
1	28	R_DG4:DC22_S	-0.048	-0.134	-0.03	5.512	-14.286	-1.968
1	35	R_DG11:DC15_S	-2.216	-0.417	1.512	-1.084	-13.09	18.675
1	37	R_DG13:DC13_S	-2.128	-0.339	0.329	-3.756	-2.856	11.333
1	45	R_DG21:DC5_S	-1.613	0.057	0.885	-15.712	-4.039	14.222
1	47	R_DG23:DC3_S	-1.306	0.093	0.924	4.708	2.265	7.545
1	26	R_DT2:DA24_S	-0.95	-0.231	0.891	-17.631	1.418	4.384
1	27	R_DT3:DA23_S	-1.296	-0.15	0.15	2.554	-6.737	4.834
1	36	R_DT12:DA14_S	0.458	0.176	0.624	1.761	-7.817	6.039
1	38	R_DT14:DA12_S	0.931	-0.477	0.499	9.049	-8.269	-0.359
1	39	R_DT15:DA11_S	0.142	0.187	1.036	-3.876	-8.725	17.085
1	43	R_DT19:DA7_S	1.063	-0.138	0.757	-0.558	-24.943	5.576
1	44	R_DT20:DA6_S	0.823	0.047	0.905	-10.298	-23.661	0.163
1	46	R_DT22:DA4_S	0.558	-0.275	0.463	-5.055	-4.914	-4.751

The above values were obtained using first alternate conformation only and calculated by 3DNA program.
Xiang-Jun Lu & Wilma K. Olson (2003). '3DNA: a software package for the analysis, rebuilding and visualization of three-dimensional nucleic acid structures', Nucleic Acids Res.31(17), 5108-21.
Xiang-Jun Lu & Wilma K. Olson (2008). '3DNA: a versatile, integrated software system for the analysis, rebuilding and visualization of three-dimensional nucleic-acid structures', Nat Protoc.3(7), 1213-27.