EGT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	sing	1.42Å	1.42Å
O1	C10	sing	1.35Å	1.37Å
C2	C3	sing	1.53Å	1.56Å
C2	C11	sing	1.51Å	1.54Å
C2	HC2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.57Å
C3	O17	sing	1.43Å	1.41Å
C3	HC3	sing	1.09Å	1.10Å
C4	C5	sing	1.51Å	1.52Å
C4	HC41	sing	1.09Å	1.10Å
C4	HC42	sing	1.09Å	1.10Å
C5	C6	doub	1.39Å	1.40Å	Aromatic
C5	C10	sing	1.38Å	1.42Å	Aromatic
C6	C7	sing	1.38Å	1.40Å	Aromatic
C6	O18	sing	1.36Å	1.36Å
C7	C8	doub	1.39Å	1.39Å	Aromatic
C7	HC7	sing	1.08Å	1.08Å
C8	C9	sing	1.38Å	1.39Å	Aromatic
C8	O19	sing	1.36Å	1.34Å
C9	C10	doub	1.40Å	1.38Å	Aromatic
C9	HC9	sing	1.08Å	1.08Å
C11	C12	doub	1.38Å	1.40Å	Aromatic
C11	C16	sing	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.39Å	1.40Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C13	C14	doub	1.39Å	1.39Å	Aromatic
C13	O20	sing	1.36Å	1.34Å
C14	C15	sing	1.39Å	1.38Å	Aromatic
C14	O21	sing	1.36Å	1.35Å
C15	C16	doub	1.39Å	1.39Å	Aromatic
C15	O22	sing	1.36Å	1.36Å
C16	H16	sing	1.08Å	1.08Å
O17	H17	sing	0.97Å	0.95Å
O18	H18	sing	0.97Å	0.95Å
O19	H19	sing	0.97Å	0.95Å
O20	H20	sing	0.97Å	0.95Å
O21	H21	sing	0.97Å	0.95Å
O22	H22	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O1	C10	124.5°	110.6°
O1	C2	C3	104.3°	108.9°
O1	C2	C11	102.9°	109.5°
O1	C2	HC2	118.4°	109.6°
O1	C10	C5	119.1°	124.0°
O1	C10	C9	120.4°	116.9°
C3	C2	C11	114.2°	109.7°
C3	C2	HC2	108.0°	109.5°
C2	C3	C4	105.1°	107.3°
C2	C3	O17	111.8°	109.9°
C2	C3	HC3	111.4°	110.0°
C11	C2	HC2	109.3°	109.5°
C2	C11	C12	120.3°	119.9°
C2	C11	C16	121.6°	119.9°
C4	C3	O17	110.9°	109.9°
C4	C3	HC3	112.2°	109.9°
C3	C4	C5	106.7°	108.7°
C3	C4	HC41	111.0°	109.6°
C3	C4	HC42	110.4°	109.6°
O17	C3	HC3	105.6°	109.9°
C3	O17	H17	109.5°	106.9°
C5	C4	HC41	111.0°	109.6°
C5	C4	HC42	110.4°	109.6°
C4	C5	C6	122.2°	117.9°
C4	C5	C10	118.1°	121.9°
HC41	C4	HC42	107.4°	109.8°
C6	C5	C10	119.1°	120.2°
C5	C6	C7	119.9°	120.4°
C5	C6	O18	121.0°	119.8°
C5	C10	C9	120.3°	119.2°
C7	C6	O18	119.1°	119.8°
C6	C7	C8	120.2°	119.6°
C6	C7	HC7	119.9°	120.2°
C6	O18	H18	109.5°	106.8°
C8	C7	HC7	119.9°	120.2°
C7	C8	C9	120.7°	120.0°
C7	C8	O19	119.7°	120.0°
C9	C8	O19	119.6°	120.0°
C8	C9	C10	119.8°	120.6°
C8	C9	HC9	120.1°	119.7°
C8	O19	H19	109.5°	106.8°
C10	C9	HC9	120.1°	119.7°
C12	C11	C16	118.0°	120.2°
C11	C12	C13	120.2°	120.1°
C11	C12	H12	119.9°	119.9°
C11	C16	C15	122.2°	120.1°
C11	C16	H16	118.9°	119.9°
C13	C12	H12	119.9°	120.0°
C12	C13	C14	120.6°	119.9°
C12	C13	O20	120.1°	120.0°
C14	C13	O20	119.3°	120.1°
C13	C14	C15	119.2°	119.9°
C13	C14	O21	120.6°	120.1°
C13	O20	H20	109.5°	106.8°
C15	C14	O21	120.2°	120.0°
C14	C15	C16	119.9°	119.9°
C14	C15	O22	120.1°	120.1°
C14	O21	H21	109.5°	106.8°
C16	C15	O22	120.0°	120.0°
C15	C16	H16	118.9°	120.0°
C15	O22	H22	109.5°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C3	C11	111.5°	119.9°
O1	C2	C3	HC2	126.8°	119.8°
O1	C2	C11	HC2	126.7°	120.2°
O1	C2	C3	C4	68.2°	70.5°
O1	C2	C3	O17	171.5°	48.9°
O1	C2	C3	HC3	53.6°	170.0°
C2	O1	C10	C5	9.8°	26.0°
C2	O1	C10	C9	173.7°	154.8°
O1	C2	C11	C12	178.5°	145.0°
O1	C2	C11	C16	3.0°	35.3°
C10	O1	C2	C3	32.7°	60.0°
C10	O1	C2	C11	86.8°	180.0°
C10	O1	C2	HC2	152.7°	59.9°
O1	C10	C5	C4	15.3°	1.6°
O1	C10	C5	C6	173.9°	178.5°
O1	C10	C5	C9	176.5°	179.2°
O1	C10	C9	C8	175.4°	178.7°
O1	C10	C9	HC9	4.7°	1.2°
C3	C2	C11	HC2	121.0°	120.3°
C2	C3	C4	O17	121.0°	119.4°
C2	C3	C4	HC3	121.2°	119.5°
C2	C3	O17	HC3	121.2°	121.1°
C2	C3	C4	C5	63.4°	43.0°
C2	C3	C4	HC41	175.6°	162.8°
C2	C3	C4	HC42	56.6°	76.7°
C3	C2	C11	C12	66.2°	95.5°
C3	C2	C11	C16	109.3°	84.3°
C2	C3	O17	H17	34.3°	178.9°
C11	C2	C3	C4	43.3°	169.6°
C11	C2	C3	O17	77.1°	71.0°
C11	C2	C3	HC3	165.1°	50.1°
C2	C11	C12	C16	175.6°	179.7°
C2	C11	C12	C13	174.5°	180.0°
C2	C11	C12	H12	5.5°	0.0°
C2	C11	C16	C15	174.9°	179.7°
C2	C11	C16	H16	5.1°	0.3°
HC2	C2	C3	C4	165.0°	49.3°
HC2	C2	C3	O17	44.6°	168.7°
HC2	C2	C3	HC3	73.2°	70.2°
HC2	C2	C11	C12	54.9°	24.8°
HC2	C2	C11	C16	129.7°	155.5°
C4	C3	O17	HC3	121.8°	121.1°
C3	C4	C5	HC41	121.1°	119.8°
C3	C4	C5	HC42	120.0°	119.7°
C3	C4	HC41	HC42	120.8°	120.4°
C3	C4	C5	C6	148.2°	168.2°
C3	C4	C5	C10	22.3°	11.8°
C4	C3	O17	H17	151.3°	61.1°
O17	C3	C4	C5	175.7°	76.5°
O17	C3	C4	HC41	54.6°	43.3°
O17	C3	C4	HC42	64.3°	163.8°
HC3	C3	C4	C5	57.8°	162.5°
HC3	C3	C4	HC41	63.2°	77.7°
HC3	C3	C4	HC42	177.8°	42.8°
HC3	C3	O17	H17	86.9°	60.0°
C5	C4	HC41	HC42	120.8°	120.4°
C4	C5	C6	C10	170.4°	179.9°
C4	C5	C6	C7	168.1°	179.5°
C4	C5	C6	O18	13.5°	0.5°
C4	C5	C10	C9	168.2°	179.2°
HC41	C4	C5	C6	27.1°	48.4°
HC41	C4	C5	C10	143.4°	131.6°
HC42	C4	C5	C6	91.8°	72.0°
HC42	C4	C5	C10	97.7°	107.9°
C5	C6	C7	O18	178.4°	180.0°
C5	C6	C7	C8	0.5°	0.1°
C5	C6	C7	HC7	179.4°	179.9°
C6	C5	C10	C9	2.6°	0.7°
C5	C6	O18	H18	5.8°	90.0°
C10	C5	C6	C7	2.3°	0.4°
C10	C5	C6	O18	176.1°	179.6°
C5	C10	C9	C8	1.1°	0.5°
C5	C10	C9	HC9	178.9°	179.5°
C6	C7	C8	HC7	180.0°	180.0°
C6	C7	C8	C9	1.0°	0.3°
C6	C7	C8	O19	175.5°	179.8°
C7	C6	O18	H18	175.8°	89.9°
O18	C6	C7	C8	177.9°	179.9°
O18	C6	C7	HC7	2.2°	0.1°
C7	C8	C9	O19	176.6°	180.0°
C7	C8	C9	C10	0.7°	0.0°
C7	C8	C9	HC9	179.3°	180.0°
C7	C8	O19	H19	1.8°	90.0°
HC7	C7	C8	C9	179.0°	179.7°
HC7	C7	C8	O19	4.4°	0.2°
C8	C9	C10	HC9	180.0°	180.0°
C9	C8	O19	H19	174.8°	90.0°
O19	C8	C9	C10	175.8°	180.0°
O19	C8	C9	HC9	4.1°	0.0°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.6°	0.1°
C11	C12	C13	O20	179.2°	180.0°
C12	C11	C16	C15	0.7°	0.5°
C12	C11	C16	H16	179.3°	180.0°
C16	C11	C12	C13	1.1°	0.3°
C16	C11	C12	H12	178.8°	179.7°
C11	C16	C15	C14	0.3°	0.5°
C11	C16	C15	H16	180.0°	179.5°
C11	C16	C15	O22	177.3°	179.7°
C12	C13	C14	O20	179.8°	179.9°
C12	C13	C14	C15	0.4°	0.0°
C12	C13	C14	O21	177.8°	180.0°
C12	C13	O20	H20	76.8°	90.0°
H12	C12	C13	C14	179.3°	180.0°
H12	C12	C13	O20	0.8°	0.0°
C13	C14	C15	O21	178.2°	180.0°
C13	C14	C15	C16	0.8°	0.2°
C13	C14	C15	O22	176.7°	179.9°
C14	C13	O20	H20	103.3°	89.9°
C13	C14	O21	H21	149.9°	90.0°
O20	C13	C14	C15	179.8°	180.0°
O20	C13	C14	O21	2.0°	0.0°
C14	C15	C16	O22	177.6°	179.8°
C14	C15	C16	H16	179.7°	180.0°
C15	C14	O21	H21	28.3°	90.0°
C14	C15	O22	H22	152.2°	90.0°
O21	C14	C15	C16	177.4°	179.7°
O21	C14	C15	O22	5.1°	0.1°
C16	C15	O22	H22	30.2°	89.8°
O22	C15	C16	H16	2.7°	0.2°

Definition date:	2001-08-14
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1JNQ