Table 1.

Structural statistics of tvMyb1_35–141 and tvMyb1_35–141/DNA complex

Parameter	tvMyb135–141	DNA-bound conformation	tvMyb135–141/DNA complex
NMR restraints used
Intraresidue (i – j = 0)	289	196
Sequential (i – j = 1)	551	403
Medium range (1 < i – j < 5)	4500	405
Long range (i – j ≥ 5)	104	83
Total NOE restraints	1394	1087
Total AIRs			20
Hydrogen bonds	28 × 2	28 × 2
Dihedral angles	144	120
1DHN RDCs		74	74
Energy statistics
Etotal	335.1 ± 11.5	221.1 ± 9.5	−4462.1 ± 116.5
Ebond	29.3 ± 1.6	10.9 ± 0.9	30.1 ± 3.2
Eangle	114.6 ± 3.4	74.6 ± 2.2	81.3 ± 39.1
Eimproper	16.4 ± 0.5	20.8 ± 1.2	67.4 ± 21.9
Evdw	100.9 ± 2.8	73.2 ± 3.1	−629.9 ± 38.3
ENOE	70.6 ± 2.1	38.2 ± 1.8
Edihe	3.4 ± 0.3	3.9 ± 0.4
Esani		10.1 ± 1.4
Eelectr			−4862.4 ± 63.2
RDC Q-factora	0.67 ± 0.04	0.029 ± 0.003	0.102 ± 0.007
Deviation from ideal geometry (RMSD)
Bond (Å)	0.0041 ± 0.0001	0.0025 ± 0.0001	0.0032 ± 0.0002
Angle (°)	0.48 ± 0.01	0.38 ± 0.007	0.67 ± 0.03
Mean global RMSD of helical residues (Å)
Backbone atoms	0.70 ± 0.15	0.96 ± 0.25	0.43 ± 0.09 0.68 ± 0.25b
Heavy atoms	1.56 ± 0.14	1.89 ± 0.22	0.88 ± 0.16
Ramachandran plot
Most favored (%)	78.9	80.9	77.0
Allowed (%)	18.4	17.6	17.5
Generously allowed (%)	2.5	1.5	4.4
Disallowed (%)	0.2	0.0	1.1

^aQ-factor = RMS(D^calc – D^obs)/RMS(D^obs), where D^calc and D^obs are calculated and observed RDC values, respectively.

^bFor backbone atoms of all helical residues and all phosphate backbone atoms of DNA.