MQA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9A	C1	sing	1.54Å	1.53Å
C1	N2	sing	1.47Å	1.47Å
C1	C2	sing	1.55Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
C3	C2	sing	1.55Å	1.52Å
N2	C2	sing	1.47Å	1.47Å
C2	H2	sing	1.09Å	1.10Å
N4	C3	sing	1.48Å	1.48Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C6	C5	sing	1.46Å	1.49Å
C4A	C5	sing	1.49Å	1.48Å
C5	O5	doub	1.22Å	1.26Å
C7	C6	doub	1.35Å	1.49Å
C6	CM6	sing	1.51Å	1.51Å
O7	C7	sing	1.35Å	1.37Å
C8	C7	sing	1.49Å	1.50Å
O8	C8	doub	1.21Å	1.26Å
C8	C8A	sing	1.46Å	1.49Å
C8A	C9	sing	1.52Å	1.47Å
C9	C10	sing	1.53Å	1.53Å
C9	C9A	sing	1.53Å	1.53Å
C9	H9	sing	1.09Å	1.10Å
O10	C10	sing	1.45Å	1.42Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
O11	C11	doub	1.22Å	1.21Å
C11	O10	sing	1.35Å	1.45Å
C11	N12	sing	1.35Å	1.33Å
CM6	HM6	sing	1.09Å	1.10Å
CM6	HM6A	sing	1.09Å	1.10Å
CM6	HM6B	sing	1.09Å	1.10Å
O7	C24	sing	1.43Å	1.43Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C24	H24B	sing	1.09Å	1.10Å
C8A	C4A	doub	1.37Å	1.46Å
C4A	N4	sing	1.37Å	1.39Å
C9A	N4	sing	1.47Å	1.48Å
O24	C9A	sing	1.43Å	1.43Å
C25	O24	sing	1.43Å	1.43Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C25	H25B	sing	1.09Å	1.10Å
N2	HN2	sing	1.01Å	1.00Å
N12	HN12	sing	0.97Å	1.00Å
N12	HN1A	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9A	C1	N2	113.6°	118.7°
C9A	C1	C2	106.0°	104.5°
C9A	C1	H1	101.4°	118.1°
C1	C9A	C9	112.4°	111.7°
C1	C9A	N4	107.4°	104.6°
C1	C9A	O24	112.0°	112.0°
N2	C1	C2	58.8°	58.3°
N2	C1	H1	133.0°	119.7°
C1	N2	C2	62.5°	63.5°
C1	N2	HN2	129.5°	111.0°
C2	C1	H1	139.3°	122.3°
C1	C2	C3	108.3°	104.9°
C1	C2	N2	58.7°	58.2°
C1	C2	H2	136.3°	122.6°
C3	C2	N2	108.2°	118.2°
C3	C2	H2	103.0°	117.9°
C2	C3	N4	106.8°	104.0°
C2	C3	H3	110.4°	110.5°
C2	C3	H3A	111.0°	110.5°
N2	C2	H2	136.3°	120.0°
C2	N2	HN2	129.5°	111.0°
N4	C3	H3	110.4°	110.5°
N4	C3	H3A	111.0°	110.6°
C3	N4	C4A	112.7°	146.8°
C3	N4	C9A	110.8°	104.2°
H3	C3	H3A	107.4°	110.5°
C6	C5	C4A	118.1°	120.5°
C6	C5	O5	121.9°	119.7°
C5	C6	C7	120.2°	120.2°
C5	C6	CM6	121.1°	120.0°
C4A	C5	O5	120.0°	119.8°
C5	C4A	C8A	121.8°	118.6°
C5	C4A	N4	126.2°	129.4°
C7	C6	CM6	118.8°	119.9°
C6	C7	O7	117.6°	120.2°
C6	C7	C8	121.3°	120.3°
C6	CM6	HM6	109.5°	109.5°
C6	CM6	HM6A	109.5°	109.5°
C6	CM6	HM6B	109.5°	109.5°
O7	C7	C8	121.1°	119.5°
C7	O7	C24	117.5°	117.0°
C7	C8	O8	122.1°	119.9°
C7	C8	C8A	117.0°	119.3°
O8	C8	C8A	121.0°	120.7°
C8	C8A	C9	128.9°	130.5°
C8	C8A	C4A	121.7°	121.1°
C8A	C9	C10	115.0°	110.7°
C8A	C9	C9A	102.9°	103.5°
C8A	C9	H9	112.2°	110.7°
C9	C8A	C4A	109.3°	108.3°
C10	C9	C9A	114.6°	110.6°
C10	C9	H9	99.9°	110.5°
C9	C10	O10	100.6°	109.5°
C9	C10	H10	112.5°	109.5°
C9	C10	H10A	114.4°	109.5°
C9A	C9	H9	112.6°	110.6°
C9	C9A	N4	109.6°	103.9°
C9	C9A	O24	105.6°	112.0°
O10	C10	H10	112.5°	109.4°
O10	C10	H10A	114.3°	109.5°
C10	O10	C11	119.7°	117.0°
H10	C10	H10A	102.9°	109.5°
O11	C11	O10	116.3°	120.0°
O11	C11	N12	123.0°	120.0°
O10	C11	N12	120.6°	120.0°
C11	N12	HN12	110.3°	120.0°
C11	N12	HN1A	124.9°	119.9°
HM6	CM6	HM6A	109.5°	109.5°
HM6	CM6	HM6B	109.5°	109.4°
HM6A	CM6	HM6B	109.5°	109.4°
O7	C24	H24	109.5°	109.5°
O7	C24	H24A	109.4°	109.5°
O7	C24	H24B	109.4°	109.5°
H24	C24	H24A	109.5°	109.5°
H24	C24	H24B	109.4°	109.5°
H24A	C24	H24B	109.5°	109.5°
C8A	C4A	N4	112.0°	111.9°
C4A	N4	C9A	105.7°	108.9°
N4	C9A	O24	109.7°	112.2°
C9A	O24	C25	120.2°	114.1°
O24	C25	H25	109.5°	109.5°
O24	C25	H25A	109.5°	109.4°
O24	C25	H25B	109.4°	109.5°
H25	C25	H25A	109.5°	109.5°
H25	C25	H25B	109.5°	109.5°
H25A	C25	H25B	109.5°	109.5°
HN12	N12	HN1A	124.9°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9A	C1	N2	C2	95.0°	89.8°
C9A	C1	N2	H1	134.6°	158.5°
C9A	C1	C2	H1	130.5°	137.6°
C9A	C1	C2	C3	7.6°	0.8°
C9A	C1	C2	H2	125.7°	137.4°
C1	C9A	N4	C3	6.3°	41.5°
C1	C9A	C9	C8A	112.7°	125.3°
C1	C9A	C9	C10	12.8°	6.8°
C1	C9A	C9	N4	119.4°	112.2°
C1	C9A	C9	O24	122.5°	126.6°
C1	C9A	C9	H9	126.2°	116.1°
C1	C9A	N4	C4A	116.0°	136.3°
C1	C9A	N4	O24	122.0°	121.6°
C1	C9A	O24	C25	43.1°	175.2°
C9A	C1	N2	HN2	145.0°	166.4°
N2	C1	C2	H1	121.2°	107.4°
C1	N2	C2	C3	100.7°	90.6°
C1	N2	C2	HN2	120.0°	103.7°
N2	C1	C2	H2	126.0°	107.6°
N2	C1	C9A	C9	66.7°	75.6°
N2	C1	C9A	N4	54.0°	36.1°
N2	C1	C9A	O24	174.5°	157.8°
C1	C2	C3	H2	148.9°	140.5°
C1	C2	C3	N4	3.9°	24.0°
C1	C2	C3	H3	123.9°	94.6°
C1	C2	C3	H3A	117.2°	142.7°
C2	C1	C9A	C9	129.1°	137.1°
C2	C1	C9A	N4	8.5°	25.4°
C2	C1	C9A	O24	112.1°	96.4°
H1	C1	C2	C3	138.1°	138.4°
H1	C1	C2	H2	4.8°	0.2°
H1	C1	C9A	C9	81.3°	83.2°
H1	C1	C9A	N4	158.1°	165.1°
H1	C1	C9A	O24	37.5°	43.3°
H1	C1	N2	HN2	10.3°	7.9°
C3	C2	N2	H2	133.3°	157.5°
C2	C3	N4	H3	120.0°	118.6°
C2	C3	N4	H3A	121.1°	118.7°
C2	C3	H3	H3A	121.1°	122.7°
C2	C3	N4	C4A	116.7°	135.5°
C2	C3	N4	C9A	1.5°	40.7°
C3	C2	N2	HN2	139.3°	165.7°
N2	C2	C3	N4	66.1°	37.6°
N2	C2	C3	H3	173.9°	156.2°
N2	C2	C3	H3A	55.0°	81.2°
H2	C2	C3	N4	145.0°	164.5°
H2	C2	C3	H3	25.0°	45.9°
H2	C2	C3	H3A	93.9°	76.8°
H2	C2	N2	HN2	6.0°	8.2°
N4	C3	H3	H3A	121.1°	122.7°
C3	N4	C4A	C5	56.0°	17.6°
C3	N4	C9A	C9	128.8°	158.7°
C3	N4	C4A	C8A	124.7°	158.0°
C3	N4	C4A	C9A	121.2°	176.1°
C3	N4	C9A	O24	115.7°	80.1°
H3	C3	N4	C4A	123.3°	105.9°
H3	C3	N4	C9A	118.5°	78.0°
H3A	C3	N4	C4A	4.3°	16.8°
H3A	C3	N4	C9A	122.6°	159.4°
C6	C5	C4A	O5	179.5°	180.0°
C5	C6	C7	CM6	179.4°	179.9°
C5	C6	C7	O7	179.2°	179.4°
C5	C6	C7	C8	0.4°	1.7°
C5	C6	CM6	HM6	55.7°	95.1°
C5	C6	CM6	HM6A	175.7°	144.8°
C5	C6	CM6	HM6B	64.3°	24.9°
C6	C5	C4A	C8A	0.6°	0.5°
C6	C5	C4A	N4	178.7°	174.9°
C4A	C5	C6	C7	0.2°	0.3°
C4A	C5	C6	CM6	179.6°	179.8°
C5	C4A	C8A	C8	1.0°	2.1°
C5	C4A	C8A	C9	178.6°	175.1°
C5	C4A	C8A	N4	179.4°	176.1°
C5	C4A	N4	C9A	177.1°	166.3°
O5	C5	C6	C7	179.2°	179.7°
O5	C5	C6	CM6	0.1°	0.2°
O5	C5	C4A	C8A	178.9°	179.5°
O5	C5	C4A	N4	1.8°	5.1°
C6	C7	O7	C8	179.6°	177.8°
C6	C7	C8	O8	179.9°	179.6°
C6	C7	C8	C8A	0.8°	3.3°
C7	C6	CM6	HM6	123.7°	85.0°
C7	C6	CM6	HM6A	3.7°	35.1°
C7	C6	CM6	HM6B	116.3°	155.1°
C6	C7	O7	C24	111.9°	113.9°
CM6	C6	C7	O7	0.2°	0.7°
CM6	C6	C7	C8	179.8°	178.4°
C6	CM6	HM6	HM6A	120.0°	120.1°
C6	CM6	HM6	HM6B	120.0°	120.0°
C6	CM6	HM6A	HM6B	120.0°	120.0°
O7	C7	C8	O8	0.5°	1.8°
O7	C7	C8	C8A	178.8°	179.0°
C7	O7	C24	H24	52.2°	65.0°
C7	O7	C24	H24A	67.8°	55.0°
C7	O7	C24	H24B	172.1°	175.0°
C7	C8	O8	C8A	179.3°	177.1°
C7	C8	C8A	C9	178.2°	173.0°
C8	C7	O7	C24	67.7°	68.3°
C7	C8	C8A	C4A	1.1°	3.5°
O8	C8	C8A	C9	2.5°	4.2°
O8	C8	C8A	C4A	179.6°	179.4°
C8	C8A	C9	C4A	177.4°	176.8°
C8	C8A	C9	C10	52.8°	68.1°
C8	C8A	C9	C9A	178.2°	173.3°
C8	C8A	C9	H9	60.5°	54.8°
C8	C8A	C4A	N4	178.3°	174.0°
C8A	C9	C10	C9A	119.0°	114.1°
C8A	C9	C10	H9	120.3°	123.0°
C8A	C9	C9A	H9	121.0°	118.6°
C8A	C9	C10	O10	108.4°	70.9°
C8A	C9	C10	H10	11.6°	49.1°
C8A	C9	C10	H10A	128.6°	169.1°
C9	C8A	C4A	N4	0.7°	8.8°
C8A	C9	C9A	N4	6.7°	13.1°
C8A	C9	C9A	O24	124.8°	108.1°
C10	C9	C9A	H9	113.4°	122.8°
C9	C10	O10	H10	120.0°	120.0°
C9	C10	O10	H10A	123.1°	120.0°
C9	C10	H10	H10A	123.6°	120.0°
C9	C10	O10	C11	108.8°	180.0°
C10	C9	C8A	C4A	129.8°	115.1°
C10	C9	C9A	N4	132.3°	105.4°
C10	C9	C9A	O24	109.6°	133.3°
C9A	C9	C10	O10	132.6°	175.0°
C9A	C9	C10	H10	107.4°	65.0°
C9A	C9	C10	H10A	9.5°	55.0°
C9A	C9	C8A	C4A	4.5°	3.5°
C9	C9A	N4	C4A	6.4°	19.0°
C9	C9A	N4	O24	115.5°	121.1°
C9	C9A	O24	C25	79.6°	58.4°
H9	C9	C10	O10	11.9°	52.2°
H9	C9	C10	H10	131.9°	172.1°
H9	C9	C10	H10A	111.1°	67.9°
H9	C9	C8A	C4A	116.9°	122.0°
H9	C9	C9A	N4	114.4°	131.8°
H9	C9	C9A	O24	3.8°	10.5°
O10	C10	H10	H10A	123.6°	120.0°
C10	O10	C11	O11	175.3°	0.1°
C10	O10	C11	N12	7.9°	180.0°
H10	C10	O10	C11	131.2°	60.0°
H10A	C10	O10	C11	14.3°	60.0°
O11	C11	O10	N12	176.8°	179.9°
O11	C11	N12	HN12	1.8°	179.9°
O11	C11	N12	HN1A	178.3°	0.0°
O10	C11	N12	HN12	178.4°	0.0°
O10	C11	N12	HN1A	1.7°	180.0°
C11	N12	HN12	HN1A	180.0°	180.0°
HM6	CM6	HM6A	HM6B	120.0°	119.9°
O7	C24	H24	H24A	120.0°	120.0°
O7	C24	H24	H24B	120.0°	120.0°
O7	C24	H24A	H24B	120.0°	120.0°
H24	C24	H24A	H24B	120.0°	120.0°
C8A	C4A	N4	C9A	3.5°	18.1°
C4A	N4	C9A	O24	121.9°	102.1°
N4	C9A	O24	C25	162.4°	58.0°
C9A	O24	C25	H25	123.1°	180.0°
C9A	O24	C25	H25A	3.1°	60.0°
C9A	O24	C25	H25B	116.9°	60.0°
O24	C25	H25	H25A	120.0°	120.0°
O24	C25	H25	H25B	120.0°	120.0°
O24	C25	H25A	H25B	120.0°	120.0°
H25	C25	H25A	H25B	120.0°	120.0°

Definition date:	2009-04-06
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3GXO