MUD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	O3	sing	1.34Å	1.26Å
O3	HO3	sing	0.97Å	0.95Å
O1	C2	doub	1.21Å	1.25Å
C2	C4	sing	1.51Å	1.52Å
C4	C5	sing	1.53Å	1.54Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.55Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C7	C6	sing	1.51Å	1.55Å
C6	N10	sing	1.46Å	1.46Å
C6	H6	sing	1.09Å	1.10Å
O8	C7	doub	1.21Å	1.29Å
C7	O9	sing	1.34Å	1.27Å
O9	HO9	sing	0.97Å	0.95Å
N10	C11	sing	1.35Å	1.33Å
N10	HN10	sing	0.97Å	1.00Å
O20	C11	doub	1.22Å	1.24Å
C11	N12	sing	1.35Å	1.34Å
N12	C13	sing	1.47Å	1.45Å
N12	HN12	sing	0.97Å	1.00Å
C14	C13	sing	1.53Å	1.54Å
C13	C17	sing	1.51Å	1.51Å
C13	H13	sing	1.09Å	1.10Å
C17	O19	doub	1.21Å	1.26Å
C17	O18	sing	1.34Å	1.25Å
O18	HO18	sing	0.97Å	0.95Å
C14	S15	sing	1.82Å	1.79Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C16	S15	sing	1.81Å	1.77Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C16	H16B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O3	HO3	109.5°	117.0°
O3	C2	O1	121.9°	120.0°
O3	C2	C4	117.3°	120.0°
O1	C2	C4	120.8°	120.0°
C2	C4	C5	116.9°	109.4°
C2	C4	H4	107.0°	109.5°
C2	C4	H4A	105.4°	109.5°
C5	C4	H4	107.1°	109.5°
C5	C4	H4A	105.4°	109.5°
C4	C5	C6	112.8°	109.4°
C4	C5	H5	108.4°	109.5°
C4	C5	H5A	107.6°	109.5°
H4	C4	H4A	115.5°	109.5°
C6	C5	H5	108.4°	109.5°
C6	C5	H5A	107.7°	109.4°
C5	C6	C7	104.3°	109.4°
C5	C6	N10	111.0°	109.5°
C5	C6	H6	109.9°	109.4°
H5	C5	H5A	112.1°	109.5°
C7	C6	N10	103.2°	109.5°
C7	C6	H6	117.0°	109.5°
C6	C7	O8	120.8°	120.0°
C6	C7	O9	120.6°	120.0°
N10	C6	H6	110.9°	109.5°
C6	N10	C11	118.5°	120.0°
C6	N10	HN10	120.7°	120.0°
O8	C7	O9	118.5°	120.0°
C7	O9	HO9	109.5°	117.0°
C11	N10	HN10	120.8°	120.0°
N10	C11	O20	118.1°	120.0°
N10	C11	N12	118.8°	120.0°
O20	C11	N12	123.0°	120.1°
C11	N12	C13	124.5°	120.0°
C11	N12	HN12	117.7°	120.0°
C13	N12	HN12	117.8°	120.0°
N12	C13	C14	100.7°	109.5°
N12	C13	C17	109.0°	109.5°
N12	C13	H13	114.5°	109.5°
C14	C13	C17	107.1°	109.5°
C14	C13	H13	116.2°	109.5°
C13	C14	S15	110.6°	109.5°
C13	C14	H14	109.1°	109.5°
C13	C14	H14A	108.8°	109.5°
C17	C13	H13	108.9°	109.5°
C13	C17	O19	118.2°	120.0°
C13	C17	O18	118.0°	120.0°
O19	C17	O18	123.8°	120.0°
C17	O18	HO18	109.5°	117.0°
S15	C14	H14	109.1°	109.4°
S15	C14	H14A	108.8°	109.4°
C14	S15	C16	89.5°	103.0°
H14	C14	H14A	110.4°	109.5°
S15	C16	H16	109.5°	109.5°
S15	C16	H16A	109.5°	109.5°
S15	C16	H16B	109.5°	109.5°
H16	C16	H16A	109.5°	109.4°
H16	C16	H16B	109.5°	109.5°
H16A	C16	H16B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C2	O1	C4	178.8°	180.0°
O3	C2	C4	C5	163.5°	180.0°
O3	C2	C4	H4	76.5°	60.0°
O3	C2	C4	H4A	46.9°	60.0°
HO3	O3	C2	O1	0.0°	0.0°
HO3	O3	C2	C4	178.8°	180.0°
O1	C2	C4	C5	17.7°	0.0°
O1	C2	C4	H4	102.4°	120.0°
O1	C2	C4	H4A	134.2°	120.0°
C2	C4	C5	H4	120.0°	120.0°
C2	C4	C5	H4A	116.6°	120.0°
C2	C4	H4	H4A	116.9°	120.0°
C2	C4	C5	C6	165.3°	180.0°
C2	C4	C5	H5	74.7°	60.0°
C2	C4	C5	H5A	46.7°	60.0°
C5	C4	H4	H4A	117.0°	120.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	118.6°	120.0°
C4	C5	H5	H5A	118.6°	120.1°
C4	C5	C6	C7	69.4°	175.0°
C4	C5	C6	N10	41.2°	65.0°
C4	C5	C6	H6	164.4°	55.0°
H4	C4	C5	C6	45.3°	60.0°
H4	C4	C5	H5	165.3°	180.0°
H4	C4	C5	H5A	73.3°	60.0°
H4A	C4	C5	C6	78.1°	60.0°
H4A	C4	C5	H5	41.9°	60.0°
H4A	C4	C5	H5A	163.3°	NaN°
C6	C5	H5	H5A	118.7°	120.0°
C5	C6	C7	N10	116.2°	120.0°
C5	C6	C7	H6	121.7°	119.9°
C5	C6	N10	H6	122.6°	120.0°
C5	C6	C7	O8	80.4°	120.0°
C5	C6	C7	O9	100.3°	60.0°
C5	C6	N10	C11	170.5°	155.0°
C5	C6	N10	HN10	9.5°	25.1°
H5	C5	C6	C7	170.6°	55.0°
H5	C5	C6	N10	78.8°	175.0°
H5	C5	C6	H6	44.4°	65.0°
H5A	C5	C6	C7	49.2°	65.0°
H5A	C5	C6	N10	159.8°	55.0°
H5A	C5	C6	H6	77.0°	175.0°
C7	C6	N10	H6	126.1°	120.0°
C6	C7	O8	O9	179.3°	180.0°
C6	C7	O9	HO9	179.3°	180.0°
C7	C6	N10	C11	59.2°	85.0°
C7	C6	N10	HN10	120.8°	94.9°
N10	C6	C7	O8	163.4°	0.0°
N10	C6	C7	O9	15.9°	180.0°
C6	N10	C11	HN10	180.0°	179.9°
C6	N10	C11	O20	7.9°	0.0°
C6	N10	C11	N12	169.1°	180.0°
H6	C6	C7	O8	41.2°	120.0°
H6	C6	C7	O9	138.0°	59.9°
H6	C6	N10	C11	66.9°	35.0°
H6	C6	N10	HN10	113.1°	145.1°
O8	C7	O9	HO9	0.0°	0.0°
N10	C11	O20	N12	176.8°	180.0°
N10	C11	N12	C13	175.6°	180.0°
N10	C11	N12	HN12	4.4°	0.0°
HN10	N10	C11	O20	172.1°	180.0°
HN10	N10	C11	N12	11.0°	0.0°
O20	C11	N12	C13	7.6°	0.0°
O20	C11	N12	HN12	172.4°	180.0°
C11	N12	C13	HN12	180.0°	179.9°
C11	N12	C13	C14	99.7°	155.1°
C11	N12	C13	C17	148.0°	85.0°
C11	N12	C13	H13	25.8°	35.0°
N12	C13	C14	C17	113.8°	120.0°
N12	C13	C14	H13	124.3°	120.0°
N12	C13	C17	H13	125.5°	120.0°
N12	C13	C17	O19	39.9°	0.1°
N12	C13	C17	O18	137.5°	180.0°
N12	C13	C14	S15	176.2°	60.0°
N12	C13	C14	H14	63.7°	60.0°
N12	C13	C14	H14A	56.7°	180.0°
HN12	N12	C13	C14	80.3°	25.0°
HN12	N12	C13	C17	32.0°	95.0°
HN12	N12	C13	H13	154.2°	145.0°
C14	C13	C17	H13	126.4°	120.0°
C14	C13	C17	O19	68.2°	120.0°
C14	C13	C17	O18	114.4°	60.0°
C13	C14	S15	H14	120.0°	120.0°
C13	C14	S15	H14A	119.5°	120.0°
C13	C14	H14	H14A	119.5°	120.1°
C13	C14	S15	C16	149.8°	180.0°
C13	C17	O19	O18	177.2°	179.9°
C13	C17	O18	HO18	177.2°	180.0°
C17	C13	C14	S15	62.4°	180.0°
C17	C13	C14	H14	177.6°	60.0°
C17	C13	C14	H14A	57.1°	60.0°
H13	C13	C17	O19	165.4°	119.9°
H13	C13	C17	O18	11.9°	60.0°
H13	C13	C14	S15	59.4°	60.0°
H13	C13	C14	H14	60.6°	180.0°
H13	C13	C14	H14A	178.9°	60.0°
O19	C17	O18	HO18	0.0°	0.0°
S15	C14	H14	H14A	119.5°	119.9°
C14	S15	C16	H16	4.9°	60.0°
C14	S15	C16	H16A	115.2°	59.9°
C14	S15	C16	H16B	124.9°	180.0°
H14	C14	S15	C16	29.8°	60.0°
H14A	C14	S15	C16	90.7°	60.0°
S15	C16	H16	H16A	120.0°	120.0°
S15	C16	H16	H16B	120.0°	120.0°
S15	C16	H16A	H16B	120.0°	120.0°
H16	C16	H16A	H16B	120.0°	120.0°

Definition date:	2008-06-05
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3D7G