SRB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.40Å	1.40Å	Aromatic
C1	C6	sing	1.36Å	1.40Å	Aromatic
C1	C7'	sing	1.51Å	1.52Å
C2	C3	sing	1.42Å	1.42Å	Aromatic
C2	C7	sing	1.41Å	1.39Å	Aromatic
C3	C4	doub	1.41Å	1.38Å	Aromatic
C3	C10	sing	1.41Å	1.38Å	Aromatic
C4	C5	sing	1.36Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.39Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
C7	C8	doub	1.36Å	1.38Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	sing	1.39Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	doub	1.36Å	1.38Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C10	H10	sing	1.08Å	1.10Å
C7'	C8'	sing	1.53Å	1.53Å
C7'	H7'1	sing	1.09Å	1.12Å
C7'	H7'2	sing	1.09Å	1.11Å
C8'	N	sing	1.47Å	1.46Å
C8'	B	sing	1.60Å	1.57Å
C8'	H8'	sing	1.09Å	1.11Å
C9'	C	sing	1.51Å	1.53Å
C9'	H9'1	sing	1.09Å	1.11Å
C9'	H9'2	sing	1.09Å	1.12Å
C9'	H9'3	sing	1.09Å	1.11Å
C	N	sing	1.35Å	1.33Å
C	O	doub	1.21Å	1.24Å
N	HN	sing	0.97Å	1.02Å
O1B	B	sing	1.37Å	1.47Å
O1B	HOB1	sing	0.97Å	0.95Å
O2B	B	sing	1.37Å	1.49Å
O2B	HOB2	sing	0.97Å	0.95Å
O3B	B	sing	1.37Å	1.46Å
O3B	HOB3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	118.0°	119.7°
C2	C1	C7'	120.7°	120.2°
C1	C2	C3	120.4°	119.3°
C1	C2	C7	120.7°	121.3°
C6	C1	C7'	120.9°	120.2°
C1	C6	C5	121.5°	121.0°
C1	C6	H6	119.2°	119.5°
C1	C7'	C8'	116.6°	109.5°
C1	C7'	H7'1	109.7°	109.5°
C1	C7'	H7'2	109.6°	109.4°
C3	C2	C7	118.9°	119.3°
C2	C3	C4	120.0°	119.4°
C2	C3	C10	120.4°	119.4°
C2	C7	C8	120.3°	119.7°
C2	C7	H7	120.0°	120.1°
C4	C3	C10	119.4°	121.3°
C3	C4	C5	120.1°	119.6°
C3	C4	H4	120.0°	120.2°
C3	C10	C9	120.0°	119.6°
C3	C10	H10	119.9°	120.2°
C5	C4	H4	119.9°	120.2°
C4	C5	C6	120.0°	121.0°
C4	C5	H5	119.5°	119.5°
C6	C5	H5	120.5°	119.5°
C5	C6	H6	119.3°	119.5°
C8	C7	H7	119.7°	120.2°
C7	C8	C9	120.2°	121.0°
C7	C8	H8	119.4°	119.5°
C9	C8	H8	120.4°	119.5°
C8	C9	C10	120.1°	121.0°
C8	C9	H9	120.5°	119.5°
C10	C9	H9	119.4°	119.5°
C9	C10	H10	120.1°	120.2°
C8'	C7'	H7'1	109.6°	109.5°
C8'	C7'	H7'2	109.6°	109.5°
C7'	C8'	N	118.8°	109.5°
C7'	C8'	B	107.4°	109.5°
C7'	C8'	H8'	103.4°	109.4°
H7'1	C7'	H7'2	100.5°	109.4°
N	C8'	B	106.1°	109.5°
N	C8'	H8'	104.9°	109.5°
C8'	N	C	122.6°	120.0°
C8'	N	HN	123.4°	120.0°
B	C8'	H8'	116.7°	109.5°
C8'	B	O1B	110.4°	109.5°
C8'	B	O2B	111.9°	109.5°
C8'	B	O3B	106.0°	109.5°
C	C9'	H9'1	118.8°	109.5°
C	C9'	H9'2	108.8°	109.5°
C	C9'	H9'3	108.8°	109.5°
C9'	C	N	118.8°	120.0°
C9'	C	O	119.4°	120.0°
H9'1	C9'	H9'2	108.9°	109.4°
H9'1	C9'	H9'3	108.9°	109.5°
H9'2	C9'	H9'3	101.2°	109.5°
N	C	O	121.7°	120.0°
C	N	HN	114.0°	120.0°
B	O1B	HOB1	110.4°	106.8°
O1B	B	O2B	108.8°	109.5°
O1B	B	O3B	108.6°	109.5°
B	O2B	HOB2	111.9°	106.8°
O2B	B	O3B	111.1°	109.5°
B	O3B	HOB3	106.0°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7'	172.4°	179.7°
C1	C2	C3	C7	176.5°	179.2°
C1	C2	C3	C4	0.7°	0.5°
C1	C2	C3	C10	177.1°	179.8°
C2	C1	C6	C5	1.5°	0.2°
C2	C1	C6	H6	178.6°	179.8°
C1	C2	C7	C8	176.5°	179.7°
C1	C2	C7	H7	3.5°	0.5°
C2	C1	C7'	C8'	150.3°	84.8°
C2	C1	C7'	H7'1	84.4°	35.3°
C2	C1	C7'	H7'2	25.0°	155.3°
C6	C1	C2	C3	1.8°	0.5°
C6	C1	C2	C7	174.7°	179.7°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	H5	179.8°	179.9°
C6	C1	C7'	C8'	37.5°	95.0°
C6	C1	C7'	H7'1	87.8°	144.9°
C6	C1	C7'	H7'2	162.8°	25.0°
C7'	C1	C2	C3	170.7°	179.8°
C7'	C1	C2	C7	12.9°	0.5°
C7'	C1	C6	C5	170.9°	180.0°
C7'	C1	C6	H6	9.0°	0.0°
C1	C7'	C8'	H7'1	125.3°	120.1°
C1	C7'	C8'	H7'2	125.3°	119.9°
C1	C7'	H7'1	H7'2	115.4°	119.9°
C1	C7'	C8'	N	71.2°	180.0°
C1	C7'	C8'	B	168.5°	60.0°
C1	C7'	C8'	H8'	44.5°	60.0°
C2	C3	C4	C10	176.4°	179.7°
C2	C3	C4	C5	0.6°	0.2°
C2	C3	C4	H4	179.3°	179.8°
C3	C2	C7	C8	0.0°	0.5°
C3	C2	C7	H7	180.0°	179.7°
C2	C3	C10	C9	0.7°	0.3°
C2	C3	C10	H10	179.3°	179.8°
C7	C2	C3	C4	175.8°	179.7°
C7	C2	C3	C10	0.6°	0.5°
C2	C7	C8	H7	180.0°	179.8°
C2	C7	C8	C9	0.5°	0.2°
C2	C7	C8	H8	179.6°	179.7°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	1.0°	0.1°
C3	C4	C5	H5	179.1°	179.9°
C4	C3	C10	C9	175.7°	180.0°
C4	C3	C10	H10	4.3°	0.1°
C10	C3	C4	C5	175.8°	180.0°
C10	C3	C4	H4	4.3°	0.0°
C3	C10	C9	C8	0.2°	0.0°
C3	C10	C9	H10	180.0°	179.9°
C3	C10	C9	H9	179.8°	180.0°
C4	C5	C6	H5	179.9°	179.9°
C4	C5	C6	H6	179.9°	179.9°
H4	C4	C5	C6	179.0°	180.0°
H4	C4	C5	H5	0.9°	0.1°
H5	C5	C6	H6	0.1°	0.1°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	0.4°	0.0°
C7	C8	C9	H9	179.6°	180.0°
H7	C7	C8	C9	179.5°	180.0°
H7	C7	C8	H8	0.5°	0.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	H10	179.7°	179.9°
H8	C8	C9	C10	179.7°	180.0°
H8	C8	C9	H9	0.4°	0.0°
H9	C9	C10	H10	0.2°	0.1°
C8'	C7'	H7'1	H7'2	115.4°	120.0°
C7'	C8'	N	B	121.0°	120.0°
C7'	C8'	N	H8'	114.9°	119.9°
C7'	C8'	B	H8'	115.5°	120.0°
C7'	C8'	N	C	128.5°	135.0°
C7'	C8'	N	HN	51.5°	45.1°
C7'	C8'	B	O1B	178.7°	180.0°
C7'	C8'	B	O2B	57.4°	60.0°
C7'	C8'	B	O3B	63.9°	60.0°
H7'1	C7'	C8'	N	163.5°	59.9°
H7'1	C7'	C8'	B	43.2°	179.9°
H7'1	C7'	C8'	H8'	80.8°	60.0°
H7'2	C7'	C8'	N	54.1°	60.1°
H7'2	C7'	C8'	B	66.2°	60.0°
H7'2	C7'	C8'	H8'	169.8°	180.0°
N	C8'	B	H8'	116.4°	120.0°
C8'	N	C	C9'	174.5°	180.0°
C8'	N	C	HN	179.9°	179.9°
C8'	N	C	O	6.0°	0.1°
N	C8'	B	O1B	53.3°	60.0°
N	C8'	B	O2B	174.6°	180.0°
N	C8'	B	O3B	64.2°	60.0°
B	C8'	N	C	110.5°	105.0°
B	C8'	N	HN	69.5°	75.0°
C8'	B	O1B	O2B	123.1°	120.0°
C8'	B	O1B	O3B	115.8°	120.0°
C8'	B	O1B	HOB1	180.0°	60.0°
C8'	B	O2B	O3B	118.3°	120.0°
C8'	B	O2B	HOB2	180.0°	180.0°
C8'	B	O3B	HOB3	180.0°	60.0°
H8'	C8'	N	C	13.7°	15.1°
H8'	C8'	N	HN	166.4°	165.0°
H8'	C8'	B	O1B	63.2°	60.0°
H8'	C8'	B	O2B	58.1°	60.0°
H8'	C8'	B	O3B	179.4°	180.0°
C	C9'	H9'1	H9'2	125.2°	120.0°
C	C9'	H9'1	H9'3	125.3°	120.0°
C	C9'	H9'2	H9'3	114.5°	120.0°
C9'	C	N	O	179.5°	179.9°
C9'	C	N	HN	5.6°	0.1°
H9'1	C9'	H9'2	H9'3	114.6°	120.0°
H9'1	C9'	C	N	180.0°	90.0°
H9'1	C9'	C	O	0.4°	90.0°
H9'2	C9'	C	N	54.7°	29.9°
H9'2	C9'	C	O	124.8°	150.0°
H9'3	C9'	C	N	54.7°	150.0°
H9'3	C9'	C	O	125.7°	30.0°
O	C	N	HN	173.9°	180.0°
O1B	B	O2B	O3B	119.5°	120.0°
O1B	B	O2B	HOB2	57.8°	60.0°
O1B	B	O3B	HOB3	61.4°	180.0°
HOB1	O1B	B	O2B	56.9°	60.0°
HOB1	O1B	B	O3B	64.2°	180.0°
O2B	B	O3B	HOB3	58.2°	60.0°
HOB2	O2B	B	O3B	61.7°	60.0°

Definition date:	1999-07-08
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	3VGC