4X4S: Base Pair Morphology Parameters

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As of 29-Jun-2022 number of released structures: 12153

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NDB ID: 4X4S PDB ID: 4X4S

Base Pair Morphology Parameters

CSV Format

Model Number	Pair Number	Pair Name	Shear	Stretch	Stagger	Buckle	Propellor	Opening
1	10	B_A10:U22_B	-0.328	0.247	0.23	1.181	-9.52	-2.999
1	3	B_C3:G32_B	-0.006	0.089	-0.281	5.767	-16.776	2.109
1	4	B_C4:G28_B	-0.552	0.627	0.534	-0.753	-13.732	16.124
1	6	B_C6:G26_B	0.361	0.049	-0.127	0.173	-21.401	4.449
1	9	B_C9:G23_B	0.062	0.153	0.378	0.894	-16.986	3.265
1	1	B_G1:C34_B	0.11	0.09	1.083	8.697	-6.949	-3.117
1	2	B_G2:C33_B	0.097	-0.143	0.324	9.49	-16.401	1.793
1	5	B_G5:C27_B	0.166	0.157	0.021	4.31	-29.48	13.973
1	7	B_G7:C25_B	-1.102	-0.214	0.142	-3.463	-11.066	-3.116
1	8	B_G8:C24_B	-0.915	-0.552	0.433	0.367	-17.823	-12.528
1	11	B_G11:C21_B	0.711	-0.026	0.162	2.532	-13.805	-1.113
1	12	B_G12:C20_B	0.381	-0.048	-0.459	-16.356	-19.555	-6.163
1	13	B_U13:A17_B	4.131	-2.073	0.379	3.188	11.96	-96.729
1	20	D_A10:U22_D	-0.299	0.531	0.125	-6.491	-14.607	3.023
1	16	D_C3:G32_D	-0.169	0.652	-0.677	12.46	-4.028	4.431
1	19	D_C9:G23_D	0.27	-0.197	-0.222	3.703	-12.137	3.18
1	14	D_G1:C34_D	0.274	-0.067	0.972	6.444	-13.916	0.584
1	15	D_G2:C33_D	-0.034	0.032	-0.134	1.866	-11.53	4.177
1	17	D_G7:C25_D	-0.116	-0.361	0.255	24.598	0.484	-0.997
1	18	D_G8:C24_D	-0.637	-0.547	0.108	16.435	-13.097	-3.166
1	21	D_G11:C21_D	1.578	0.557	0.947	4.707	-20.944	12.421
1	22	D_G12:C20_D	0.001	-0.063	-0.191	-16.795	-31.846	-1.811

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.