W27

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.23Å
C8	C9	sing	1.55Å	1.53Å
C8	C4	sing	1.51Å	1.52Å
C8	N	sing	1.48Å	1.46Å
C9	C10	sing	1.54Å	1.55Å
C5	C6	doub	1.39Å	1.38Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
C	N	sing	1.35Å	1.36Å
C	C11	sing	1.51Å	1.50Å
C6	C7	sing	1.38Å	1.39Å	Aromatic
C4	C3	doub	1.38Å	1.42Å	Aromatic
N	C1	sing	1.48Å	1.47Å
C10	C1	sing	1.54Å	1.54Å
C1	C2	sing	1.53Å	1.52Å
C7	N1	doub	1.32Å	1.34Å	Aromatic
C3	N1	sing	1.32Å	1.34Å	Aromatic
C3	C2	sing	1.51Å	1.51Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	N	120.4°	120.0°
O	C	C11	122.2°	120.0°
C9	C8	C4	104.7°	105.9°
C9	C8	N	100.8°	103.7°
C8	C9	C10	104.0°	104.2°
C9	C8	H4	114.2°	113.1°
C8	C9	H10	110.8°	110.5°
C8	C9	H11	110.8°	110.5°
C4	C8	N	106.0°	106.7°
C8	C4	C5	119.8°	119.7°
C8	C4	C3	122.8°	120.3°
C4	C8	H4	114.3°	112.9°
C8	N	C	122.5°	128.4°
C8	N	C1	107.4°	103.3°
N	C8	H4	115.4°	113.7°
C9	C10	C1	106.2°	105.0°
C9	C10	H5	110.3°	110.3°
C9	C10	H6	110.3°	110.4°
C10	C9	H10	110.8°	110.5°
C10	C9	H11	110.8°	110.5°
C6	C5	C4	119.6°	118.3°
C5	C6	C7	118.6°	118.8°
C6	C5	H1	120.2°	120.9°
C5	C6	H2	120.7°	120.6°
C5	C4	C3	117.5°	120.0°
C4	C5	H1	120.2°	120.9°
N	C	C11	117.3°	120.0°
C	N	C1	130.0°	128.4°
C	C11	H7	109.5°	109.4°
C	C11	H8	109.5°	109.4°
C	C11	H9	109.5°	109.5°
C6	C7	N1	123.8°	121.0°
C7	C6	H2	120.7°	120.6°
C6	C7	H3	118.1°	119.4°
C4	C3	N1	123.2°	119.9°
C4	C3	C2	119.2°	121.3°
N	C1	C10	101.7°	105.0°
N	C1	C2	108.5°	108.2°
N	C1	H12	112.2°	111.0°
C10	C1	C2	111.4°	110.3°
C1	C10	H5	110.3°	110.3°
C1	C10	H6	110.3°	110.3°
C10	C1	H12	111.2°	110.9°
C1	C2	C3	110.9°	110.9°
C2	C1	H12	111.4°	111.4°
C1	C2	H13	109.1°	109.2°
C1	C2	H14	109.1°	109.2°
C7	N1	C3	117.3°	122.0°
N1	C7	H3	118.1°	119.5°
N1	C3	C2	117.5°	118.8°
C3	C2	H13	109.1°	109.2°
C3	C2	H14	109.1°	109.2°
H5	C10	H6	109.5°	110.3°
H7	C11	H8	109.5°	109.5°
H7	C11	H9	109.5°	109.5°
H8	C11	H9	109.5°	109.5°
H10	C9	H11	109.5°	110.5°
H13	C2	H14	109.5°	109.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	N	C8	11.3°	180.0°
O	C	N	C11	178.4°	179.9°
O	C	N	C1	173.2°	0.1°
O	C	C11	H7	0.0°	90.0°
O	C	C11	H8	120.0°	150.0°
O	C	C11	H9	120.0°	30.0°
C9	C8	C4	N	106.1°	110.1°
C9	C8	C4	H4	125.7°	124.3°
C9	C8	N	H4	123.5°	123.2°
C8	C9	C10	H10	119.1°	118.7°
C8	C9	C10	H11	119.1°	118.7°
C9	C8	C4	C5	101.3°	102.0°
C9	C8	N	C	130.4°	136.8°
C9	C8	C4	C3	79.6°	77.2°
C9	C8	N	C1	46.0°	43.2°
C8	C9	C10	C1	8.9°	4.4°
C8	C9	C10	H5	110.6°	114.4°
C8	C9	C10	H6	128.3°	123.4°
C8	C9	H10	H11	122.5°	122.6°
C4	C8	N	H4	127.6°	125.2°
C4	C8	C9	C10	78.0°	83.3°
C8	C4	C5	C6	179.7°	178.8°
C8	C4	C5	C3	179.1°	179.2°
C4	C8	N	C	120.8°	111.6°
C4	C8	N	C1	62.9°	68.5°
C8	C4	C3	N1	179.4°	178.4°
C8	C4	C3	C2	1.3°	2.3°
C8	C4	C5	H1	0.3°	1.3°
C4	C8	C9	H10	41.1°	35.5°
C4	C8	C9	H11	162.8°	158.0°
N	C8	C9	C10	31.9°	28.9°
N	C8	C4	C5	152.6°	147.9°
C8	N	C	C1	175.5°	179.9°
C8	N	C	C11	170.3°	0.1°
N	C8	C4	C3	26.5°	32.9°
C8	N	C1	C10	40.1°	40.5°
C8	N	C1	C2	77.5°	77.2°
N	C8	C9	H10	151.0°	147.7°
N	C8	C9	H11	87.3°	89.8°
C8	N	C1	H12	159.0°	160.3°
C9	C10	C1	N	17.6°	21.7°
C9	C10	C1	H5	119.5°	118.9°
C9	C10	C1	H6	119.5°	119.0°
C9	C10	C1	C2	97.9°	94.6°
C10	C9	C8	H4	156.2°	152.5°
C9	C10	H5	H6	121.5°	122.3°
C10	C9	H10	H11	122.5°	122.6°
C9	C10	C1	H12	137.2°	141.6°
C6	C5	C4	H1	180.0°	180.0°
C5	C6	C7	H2	180.0°	180.0°
C6	C5	C4	C3	0.6°	0.5°
C5	C6	C7	N1	0.8°	0.3°
C5	C6	C7	H3	179.2°	179.7°
C4	C5	C6	C7	0.1°	0.1°
C5	C4	C3	N1	0.3°	0.8°
C5	C4	C3	C2	177.8°	178.5°
C4	C5	C6	H2	179.9°	179.9°
C5	C4	C8	H4	24.4°	22.3°
C	N	C1	C10	135.9°	139.4°
C	N	C1	C2	106.5°	102.8°
C	N	C8	H4	6.9°	13.6°
N	C	C11	H7	178.3°	90.0°
N	C	C11	H8	58.3°	29.9°
N	C	C11	H9	61.6°	150.0°
C	N	C1	H12	17.0°	19.6°
C11	C	N	C1	5.2°	180.0°
C	C11	H7	H8	120.0°	119.9°
C	C11	H7	H9	120.0°	120.0°
C	C11	H8	H9	120.0°	120.0°
C6	C7	N1	H3	180.0°	180.0°
C6	C7	N1	C3	1.1°	0.0°
C7	C6	C5	H1	179.9°	180.0°
C4	C3	C2	C1	11.2°	7.9°
C4	C3	N1	C7	0.6°	0.6°
C4	C3	N1	C2	178.2°	179.3°
C3	C4	C5	H1	179.4°	179.5°
C3	C4	C8	H4	154.7°	158.5°
C4	C3	C2	H13	131.5°	128.3°
C4	C3	C2	H14	108.9°	112.4°
N	C1	C10	C2	115.4°	116.3°
N	C1	C10	H12	119.6°	119.9°
N	C1	C2	H12	124.0°	122.2°
N	C1	C2	C3	47.4°	44.9°
C1	N	C8	H4	169.5°	166.3°
N	C1	C10	H5	137.1°	140.6°
N	C1	C10	H6	101.9°	97.3°
N	C1	C2	H13	167.6°	165.3°
N	C1	C2	H14	72.8°	75.4°
C10	C1	C2	H12	124.8°	123.5°
C10	C1	C2	C3	63.8°	69.4°
C1	C10	H5	H6	121.5°	122.1°
C1	C10	C9	H10	128.0°	123.1°
C1	C10	C9	H11	110.3°	114.3°
C10	C1	C2	H13	56.4°	51.0°
C10	C1	C2	H14	176.0°	170.3°
C1	C2	C3	N1	170.5°	172.8°
C1	C2	C3	H13	120.2°	120.4°
C1	C2	C3	H14	120.2°	120.3°
C2	C1	C10	H5	21.6°	24.3°
C2	C1	C10	H6	142.7°	146.4°
C1	C2	H13	H14	119.4°	119.3°
C7	N1	C3	C2	178.7°	178.7°
N1	C7	C6	H2	179.2°	179.7°
C3	N1	C7	H3	178.9°	180.0°
N1	C3	C2	H13	50.3°	52.5°
N1	C3	C2	H14	69.3°	66.9°
C3	C2	C1	H12	171.4°	167.0°
C3	C2	H13	H14	119.4°	119.3°
H1	C5	C6	H2	0.1°	0.1°
H2	C6	C7	H3	0.8°	0.3°
H4	C8	C9	H10	84.7°	88.8°
H4	C8	C9	H11	37.1°	33.8°
H5	C10	C9	H10	8.5°	4.3°
H5	C10	C9	H11	130.2°	126.9°
H5	C10	C1	H12	103.3°	99.5°
H6	C10	C9	H10	112.6°	118.0°
H6	C10	C9	H11	9.2°	4.7°
H6	C10	C1	H12	17.7°	22.6°
H7	C11	H8	H9	120.0°	120.0°
H12	C1	C2	H13	68.4°	72.6°
H12	C1	C2	H14	51.2°	46.7°

Release date:	2021-01-13
Definition date:	2020-09-24
Last modified:	2021-01-08
Release status:	REL
Processing site:	RCSB
Derived from:	5RRE