DRF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O45	C44	sing	1.34Å	1.25Å
O45	H45	sing	0.97Å	0.95Å
C44	O55	doub	1.21Å	1.30Å
C44	C41	sing	1.51Å	1.31Å
C41	O46	sing	1.43Å	1.56Å
C41	C40	sing	1.53Å	1.42Å
C41	H41	sing	1.09Å	1.12Å
O46	C48	sing	1.43Å	1.40Å
C48	C49	sing	1.53Å	1.50Å
C48	H481	sing	1.09Å	1.12Å
C48	H482	sing	1.09Å	1.12Å
C49	H491	sing	1.09Å	1.12Å
C49	H492	sing	1.09Å	1.11Å
C49	H493	sing	1.09Å	1.12Å
C40	C33	sing	1.51Å	1.40Å
C40	H401	sing	1.09Å	1.12Å
C40	H402	sing	1.09Å	1.11Å
C33	C34	doub	1.38Å	1.42Å	Aromatic
C33	C32	sing	1.38Å	1.40Å	Aromatic
C34	C35	sing	1.38Å	1.41Å	Aromatic
C34	H34	sing	1.08Å	1.10Å
C35	C30	doub	1.39Å	1.41Å	Aromatic
C35	H35	sing	1.08Å	1.10Å
C30	O27	sing	1.36Å	1.39Å
C30	C31	sing	1.39Å	1.42Å	Aromatic
O27	C24	sing	1.43Å	1.42Å
C24	C23	sing	1.53Å	1.53Å
C24	H241	sing	1.09Å	1.11Å
C24	H242	sing	1.09Å	1.11Å
C23	N22	sing	1.46Å	1.47Å
C23	H231	sing	1.09Å	1.12Å
C23	H232	sing	1.09Å	1.11Å
N22	C11	sing	1.41Å	1.38Å
N22	C3	sing	1.41Å	1.37Å
C11	C16	doub	1.39Å	1.45Å	Aromatic
C11	C12	sing	1.38Å	1.43Å	Aromatic
C16	O21	sing	1.35Å	1.36Å
C16	C15	sing	1.39Å	1.41Å	Aromatic
O21	C4	sing	1.35Å	1.36Å
C4	C3	doub	1.39Å	1.44Å	Aromatic
C4	C5	sing	1.39Å	1.41Å	Aromatic
C3	C2	sing	1.38Å	1.42Å	Aromatic
C2	C1	doub	1.38Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C1	C6	sing	1.38Å	1.41Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C6	C5	doub	1.38Å	1.41Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C5	H5	sing	1.08Å	1.10Å
C15	C14	doub	1.38Å	1.41Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C14	C13	sing	1.38Å	1.42Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C13	C12	doub	1.38Å	1.41Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C12	H12	sing	1.08Å	1.10Å
C31	C32	doub	1.38Å	1.40Å	Aromatic
C31	H31	sing	1.08Å	1.10Å
C32	H32	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C44	O45	H45	98.1°	119.9°
O45	C44	O55	98.0°	120.0°
O45	C44	C41	132.6°	120.0°
O55	C44	C41	129.4°	120.0°
C44	C41	O46	110.3°	109.5°
C44	C41	C40	119.3°	109.5°
C44	C41	H41	100.9°	109.5°
O46	C41	C40	106.8°	109.5°
O46	C41	H41	114.9°	109.5°
C41	O46	C48	112.1°	106.8°
C40	C41	H41	104.9°	109.4°
C41	C40	C33	142.8°	109.5°
C41	C40	H401	101.0°	109.5°
C41	C40	H402	101.0°	109.4°
O46	C48	C49	110.2°	109.5°
O46	C48	H481	112.0°	109.5°
O46	C48	H482	112.0°	109.4°
C49	C48	H481	112.0°	109.5°
C49	C48	H482	111.9°	109.5°
C48	C49	H491	112.0°	109.5°
C48	C49	H492	110.2°	109.4°
C48	C49	H493	111.9°	109.5°
H481	C48	H482	98.4°	109.5°
H491	C49	H492	112.0°	109.5°
H491	C49	H493	98.4°	109.4°
H492	C49	H493	112.0°	109.5°
C33	C40	H401	101.0°	109.5°
C33	C40	H402	101.0°	109.5°
C40	C33	C34	115.9°	120.0°
C40	C33	C32	123.9°	120.0°
H401	C40	H402	106.6°	109.5°
C34	C33	C32	120.2°	120.1°
C33	C34	C35	119.9°	120.1°
C33	C34	H34	120.3°	119.9°
C33	C32	C31	120.2°	120.1°
C33	C32	H32	120.0°	119.9°
C35	C34	H34	119.8°	120.0°
C34	C35	C30	119.8°	120.0°
C34	C35	H35	119.9°	120.0°
C30	C35	H35	120.2°	120.0°
C35	C30	O27	119.9°	120.1°
C35	C30	C31	119.9°	119.8°
O27	C30	C31	120.2°	120.1°
C30	O27	C24	108.0°	106.8°
C30	C31	C32	120.0°	120.0°
C30	C31	H31	120.7°	120.0°
O27	C24	C23	110.9°	109.5°
O27	C24	H241	111.7°	109.5°
O27	C24	H242	111.7°	109.4°
C23	C24	H241	111.7°	109.5°
C23	C24	H242	111.7°	109.5°
C24	C23	N22	109.5°	109.5°
C24	C23	H231	112.2°	109.5°
C24	C23	H232	112.2°	109.5°
H241	C24	H242	98.7°	109.4°
N22	C23	H231	112.2°	109.5°
N22	C23	H232	112.2°	109.4°
C23	N22	C11	121.0°	122.3°
C23	N22	C3	120.3°	122.3°
H231	C23	H232	98.3°	109.4°
C11	N22	C3	118.6°	115.4°
N22	C11	C16	118.4°	118.8°
N22	C11	C12	122.8°	120.1°
N22	C3	C4	118.4°	118.8°
N22	C3	C2	122.7°	120.3°
C16	C11	C12	118.7°	121.0°
C11	C16	O21	118.8°	123.1°
C11	C16	C15	120.2°	118.5°
C11	C12	C13	120.4°	119.9°
C11	C12	H12	120.3°	120.1°
O21	C16	C15	121.0°	118.4°
C16	O21	C4	119.1°	114.8°
C16	C15	C14	120.0°	120.5°
C16	C15	H15	120.0°	119.8°
O21	C4	C3	119.0°	123.1°
O21	C4	C5	121.1°	118.4°
C3	C4	C5	119.8°	118.5°
C4	C3	C2	118.9°	121.0°
C4	C5	C6	120.4°	120.5°
C4	C5	H5	119.8°	119.8°
C3	C2	C1	120.5°	119.9°
C3	C2	H2	120.3°	120.0°
C1	C2	H2	119.2°	120.0°
C2	C1	C6	120.1°	119.7°
C2	C1	H1	119.7°	120.2°
C6	C1	H1	120.1°	120.1°
C1	C6	C5	120.3°	120.5°
C1	C6	H6	119.9°	119.8°
C5	C6	H6	119.8°	119.7°
C6	C5	H5	119.9°	119.8°
C14	C15	H15	120.0°	119.8°
C15	C14	C13	120.4°	120.5°
C15	C14	H14	119.7°	119.8°
C13	C14	H14	120.0°	119.7°
C14	C13	C12	120.2°	119.6°
C14	C13	H13	120.1°	120.2°
C12	C13	H13	119.7°	120.2°
C13	C12	H12	119.3°	120.0°
C32	C31	H31	119.3°	120.0°
C31	C32	H32	119.8°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O45	C44	O55	C41	179.0°	179.9°
O45	C44	C41	O46	147.2°	180.0°
O45	C44	C41	C40	88.7°	59.9°
O45	C44	C41	H41	25.4°	60.0°
H45	O45	C44	O55	180.0°	0.1°
H45	O45	C44	C41	1.1°	180.0°
O55	C44	C41	O46	31.4°	0.1°
O55	C44	C41	C40	92.6°	120.0°
O55	C44	C41	H41	153.2°	120.1°
C44	C41	O46	C40	131.0°	120.0°
C44	C41	O46	H41	113.2°	120.0°
C44	C41	C40	H41	112.0°	120.0°
C44	C41	O46	C48	119.8°	89.9°
C44	C41	C40	C33	169.8°	180.0°
C44	C41	C40	H401	44.5°	60.0°
C44	C41	C40	H402	65.0°	60.0°
O46	C41	C40	H41	122.3°	120.0°
C41	O46	C48	C49	179.7°	180.0°
C41	O46	C48	H481	55.1°	60.0°
C41	O46	C48	H482	54.4°	60.0°
O46	C41	C40	C33	64.5°	60.0°
O46	C41	C40	H401	170.2°	180.0°
O46	C41	C40	H402	60.8°	60.0°
C40	C41	O46	C48	109.3°	150.0°
C41	C40	C33	H401	125.3°	120.0°
C41	C40	C33	H402	125.3°	120.0°
C41	C40	H401	H402	105.1°	120.0°
C41	C40	C33	C34	86.6°	90.0°
C41	C40	C33	C32	92.7°	90.3°
H41	C41	O46	C48	6.5°	30.1°
H41	C41	C40	C33	57.8°	60.0°
H41	C41	C40	H401	67.5°	60.0°
H41	C41	C40	H402	176.9°	180.0°
O46	C48	C49	H481	125.3°	120.0°
O46	C48	C49	H482	125.3°	120.0°
O46	C48	H481	H482	117.9°	120.0°
O46	C48	C49	H491	54.7°	180.0°
O46	C48	C49	H492	180.0°	60.0°
O46	C48	C49	H493	54.7°	60.0°
C49	C48	H481	H482	117.8°	120.0°
C48	C49	H491	H492	124.3°	120.0°
C48	C49	H491	H493	117.8°	120.0°
C48	C49	H492	H493	125.3°	120.0°
H481	C48	C49	H491	NaN°	60.0°
H481	C48	C49	H492	54.7°	60.0°
H481	C48	C49	H493	70.6°	180.0°
H482	C48	C49	H491	70.6°	60.0°
H482	C48	C49	H492	54.7°	180.0°
H482	C48	C49	H493	NaN°	60.0°
H491	C49	H492	H493	109.5°	120.0°
C33	C40	H401	H402	105.1°	120.0°
C40	C33	C34	C32	179.3°	179.7°
C40	C33	C34	C35	179.0°	180.0°
C40	C33	C34	H34	1.0°	0.1°
C40	C33	C32	C31	179.0°	179.7°
C40	C33	C32	H32	1.0°	0.3°
H401	C40	C33	C34	148.2°	150.0°
H401	C40	C33	C32	32.6°	29.7°
H402	C40	C33	C34	38.7°	30.0°
H402	C40	C33	C32	142.1°	149.7°
C33	C34	C35	H34	180.0°	179.9°
C33	C34	C35	C30	0.1°	0.1°
C33	C34	C35	H35	180.0°	180.0°
C34	C33	C32	C31	0.3°	0.6°
C34	C33	C32	H32	179.7°	179.9°
C32	C33	C34	C35	0.3°	0.4°
C32	C33	C34	H34	179.7°	179.7°
C33	C32	C31	C30	0.0°	0.5°
C33	C32	C31	H32	180.0°	179.5°
C33	C32	C31	H31	180.0°	179.7°
C34	C35	C30	H35	180.0°	179.9°
C34	C35	C30	O27	179.5°	180.0°
C34	C35	C30	C31	0.2°	0.1°
H34	C34	C35	C30	179.9°	180.0°
H34	C34	C35	H35	0.1°	0.1°
C35	C30	O27	C31	179.7°	180.0°
C35	C30	O27	C24	106.9°	179.9°
C35	C30	C31	C32	0.2°	0.3°
C35	C30	C31	H31	179.8°	179.9°
H35	C35	C30	O27	0.5°	0.0°
H35	C35	C30	C31	179.8°	180.0°
C30	O27	C24	C23	168.2°	180.0°
C30	O27	C24	H241	43.0°	59.9°
C30	O27	C24	H242	66.5°	60.0°
O27	C30	C31	C32	179.5°	179.7°
O27	C30	C31	H31	0.5°	0.0°
C31	C30	O27	C24	72.9°	0.0°
C30	C31	C32	H31	180.0°	179.8°
C30	C31	C32	H32	180.0°	180.0°
O27	C24	C23	H241	125.3°	120.1°
O27	C24	C23	H242	125.3°	120.0°
O27	C24	H241	H242	117.6°	119.9°
O27	C24	C23	N22	168.9°	60.0°
O27	C24	C23	H231	65.8°	60.1°
O27	C24	C23	H232	43.7°	180.0°
C23	C24	H241	H242	117.6°	120.0°
C24	C23	N22	H231	125.2°	120.1°
C24	C23	N22	H232	125.2°	120.0°
C24	C23	H231	H232	118.1°	120.0°
C24	C23	N22	C11	91.1°	90.0°
C24	C23	N22	C3	88.3°	90.3°
H241	C24	C23	N22	43.7°	179.9°
H241	C24	C23	H231	168.9°	60.0°
H241	C24	C23	H232	81.6°	60.0°
H242	C24	C23	N22	65.8°	59.9°
H242	C24	C23	H231	59.5°	179.9°
H242	C24	C23	H232	168.9°	60.0°
N22	C23	H231	H232	118.1°	120.0°
C23	N22	C11	C3	179.4°	179.7°
C23	N22	C11	C16	157.1°	163.1°
C23	N22	C11	C12	22.5°	17.1°
C23	N22	C3	C4	157.2°	162.5°
C23	N22	C3	C2	22.5°	17.4°
H231	C23	N22	C11	34.1°	150.0°
H231	C23	N22	C3	146.4°	29.8°
H232	C23	N22	C11	143.6°	30.0°
H232	C23	N22	C3	36.9°	149.7°
N22	C11	C16	C12	179.6°	179.8°
N22	C11	C16	O21	0.2°	2.5°
N22	C11	C16	C15	179.6°	179.0°
C11	N22	C3	C4	22.2°	17.8°
C11	N22	C3	C2	158.0°	162.3°
N22	C11	C12	C13	179.6°	179.3°
N22	C11	C12	H12	0.4°	0.7°
C3	N22	C11	C16	22.4°	17.2°
C3	N22	C11	C12	158.0°	162.6°
N22	C3	C4	O21	0.1°	1.3°
N22	C3	C4	C2	179.8°	179.9°
N22	C3	C4	C5	179.9°	178.9°
N22	C3	C2	C1	179.9°	179.3°
N22	C3	C2	H2	0.1°	0.5°
C11	C16	O21	C15	179.8°	178.6°
C11	C16	O21	C4	22.1°	21.3°
C11	C16	C15	C14	0.1°	0.6°
C11	C16	C15	H15	179.9°	179.4°
C16	C11	C12	C13	0.0°	0.5°
C16	C11	C12	H12	180.0°	179.5°
C12	C11	C16	O21	179.9°	177.7°
C12	C11	C16	C15	0.0°	0.9°
C11	C12	C13	C14	0.1°	0.1°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	H13	179.9°	179.9°
C16	O21	C4	C3	22.2°	20.6°
C16	O21	C4	C5	157.8°	159.5°
O21	C16	C15	C14	179.8°	178.0°
O21	C16	C15	H15	0.3°	2.0°
C15	C16	O21	C4	158.1°	160.2°
C16	C15	C14	H15	180.0°	180.0°
C16	C15	C14	C13	0.2°	0.0°
C16	C15	C14	H14	179.8°	180.0°
O21	C4	C3	C5	179.9°	179.8°
O21	C4	C3	C2	179.8°	178.6°
O21	C4	C5	C6	179.9°	179.0°
O21	C4	C5	H5	0.1°	1.0°
C4	C3	C2	C1	0.1°	0.8°
C4	C3	C2	H2	179.9°	179.4°
C3	C4	C5	C6	0.1°	0.8°
C3	C4	C5	H5	180.0°	179.2°
C5	C4	C3	C2	0.1°	1.2°
C4	C5	C6	C1	0.1°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H6	179.9°	180.0°
C3	C2	C1	H2	180.0°	179.8°
C3	C2	C1	C6	0.1°	0.0°
C3	C2	C1	H1	179.9°	179.9°
C2	C1	C6	H1	180.0°	180.0°
C2	C1	C6	C5	0.1°	0.4°
C2	C1	C6	H6	179.9°	179.6°
H2	C2	C1	C6	179.9°	179.8°
H2	C2	C1	H1	0.1°	0.2°
C1	C6	C5	H6	180.0°	180.0°
C1	C6	C5	H5	180.0°	180.0°
H1	C1	C6	C5	179.9°	179.5°
H1	C1	C6	H6	0.1°	0.4°
H6	C6	C5	H5	0.0°	0.0°
C15	C14	C13	H14	180.0°	180.0°
C15	C14	C13	C12	0.2°	0.3°
C15	C14	C13	H13	179.8°	179.6°
H15	C15	C14	C13	179.8°	180.0°
H15	C15	C14	H14	0.2°	0.0°
C14	C13	C12	H13	180.0°	180.0°
C14	C13	C12	H12	180.0°	179.9°
H14	C14	C13	C12	179.8°	179.6°
H14	C14	C13	H13	0.2°	0.4°
H13	C13	C12	H12	0.1°	0.1°
H31	C31	C32	H32	0.0°	0.2°

Definition date:	2003-02-25
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1NYX