Table 2. Sequence-averaged conformational parameters obtained from the 10 μs Drew–Dickerson dodecamer simulation^a.

Parameter	Average	SD	Range	Minimum	Maximum	NMRb	Xrayc
Shear	0.00	0.30	6.43	−3.62	2.81	0.00	0.03
Stretch	0.02	0.12	3.27	−0.78	2.48	−0.29	0.19
Stagger	0.10	0.38	4.79	−2.15	2.66	0.02	0.21
Buckle	0.0	9.7	92.9	−48.3	48.0	0.0	−0.5
Propeller	−9.2	8.4	81.6	−49.6	39.2	−17.4	−14.4
Opening	1.3	4.0	71.1	−29.4	56.8	1.1	1.6
Xdisp	−0.58	1.05	10.42	−6.05	4.36	−0.01	−0.15
Ydisp	0.00	0.84	9.16	−4.59	4.58	0.02	0.52
Inclination	2.2	5.7	56.0	−26.1	31.0	1.7	−0.6
Tip	0.1	6.9	58.6	−41.7	41.2	0.0	−2.6
Shift	−0.01	0.81	7.31	−3.71	3.63	0.00	−0.07
Slide	−0.24	0.53	5.50	−3.17	2.34	−0.22	0.14
Rise	3.32	0.29	3.32	1.96	5.30	3.20	3.35
Tilt	−0.1	4.7	44.6	−22.6	23.0	0.0	−0.4
Roll	1.5	5.5	60.1	−31.8	31.7	2.3	−0.7
Twist	34.3	5.5	52.3	3.4	57.1	36.0	35.2
αd	−72.6	18.2	314.4			−60.2	−57.5
β	166.8	21.7	251.1			171.0	166.4
γ	55.6	23.2	243.6			49.6	48.3
δ	135.2	14.5	119.7			125.7	126.3
ϵ	−159.9	23.5	169.1			−170.8	−164.3
ζ	−111.4	36.1	203.1			−103.5	−112.1
χ	−111.7	16.2	138.6			−111.5	−113.5
Phase	152.0	27.2	267.3			135.0	135.7
Amplitude	41.3	6.5	61.4			34.0	41.1

^aCapping base pairs were removed from the analysis.

^bComputed from the ensemble of structures (PDB ID: 1NAJ).

^cComputed from the X-ray structures with PDB IDs: 1BNA, 2BNA, 7BNA and 9BNA.

^dFor the dihedral angles only the Watson strand was considered.