GAA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.51Å
C1	O1	sing	1.43Å	1.43Å
C1	O5	sing	1.43Å	1.41Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.59Å
C2	O2	sing	1.43Å	1.40Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.53Å
C3	O3	sing	1.43Å	1.43Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.51Å
C4	O4	sing	1.43Å	1.42Å
C4	H4	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.51Å
C5	O5	sing	1.43Å	1.43Å
C5	H5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.44Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.12Å
C7	C8	doub	1.39Å	1.38Å	Aromatic
C7	C12	sing	1.39Å	1.39Å	Aromatic
C7	O1	sing	1.36Å	1.45Å
C8	C9	sing	1.38Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	doub	1.38Å	1.42Å	Aromatic
C9	N1	sing	1.48Å	1.46Å
C10	C11	sing	1.38Å	1.41Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
C11	C12	doub	1.38Å	1.40Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C12	H12	sing	1.08Å	1.10Å
N1	O7	sing	1.22Å	1.25Å
N1	O8	doub	1.22Å	1.26Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	113.1°	109.4°
C2	C1	O5	106.7°	109.8°
C2	C1	H1	110.3°	109.4°
C1	C2	C3	105.9°	109.0°
C1	C2	O2	109.0°	109.5°
C1	C2	H2	114.9°	109.5°
O1	C1	O5	113.2°	109.5°
O1	C1	H1	103.3°	109.4°
C1	O1	C7	115.5°	106.8°
O5	C1	H1	110.2°	109.4°
C1	O5	C5	113.2°	107.6°
C3	C2	O2	116.5°	109.7°
C3	C2	H2	107.1°	109.5°
C2	C3	C4	106.3°	108.7°
C2	C3	O3	117.9°	109.6°
C2	C3	H3	105.9°	109.6°
O2	C2	H2	103.8°	109.6°
C2	O2	HO2	109.0°	106.8°
C4	C3	O3	109.3°	109.7°
C4	C3	H3	115.1°	109.7°
C3	C4	C5	107.2°	109.0°
C3	C4	O4	109.4°	109.6°
C3	C4	H4	111.7°	109.6°
O3	C3	H3	102.7°	109.6°
C3	O3	HO3	117.9°	106.8°
C5	C4	O4	111.5°	109.7°
C5	C4	H4	109.6°	109.4°
C4	C5	C6	115.3°	109.4°
C4	C5	O5	110.1°	109.8°
C4	C5	H5	104.2°	109.4°
O4	C4	H4	107.5°	109.6°
C4	O4	HO4	109.4°	106.8°
C6	C5	O5	107.0°	109.4°
C6	C5	H5	107.5°	109.4°
C5	C6	O6	108.8°	109.4°
C5	C6	H61	112.4°	109.4°
C5	C6	H62	112.5°	109.5°
O5	C5	H5	112.9°	109.5°
O6	C6	H61	112.4°	109.5°
O6	C6	H62	112.5°	109.5°
C6	O6	HO6	108.8°	106.8°
H61	C6	H62	98.0°	109.5°
C8	C7	C12	124.7°	119.9°
C8	C7	O1	116.9°	120.1°
C7	C8	C9	118.5°	120.0°
C7	C8	H8	120.1°	120.0°
C12	C7	O1	118.5°	120.0°
C7	C12	C11	117.2°	119.9°
C7	C12	H12	121.1°	120.1°
C9	C8	H8	121.4°	120.0°
C8	C9	C10	118.6°	120.1°
C8	C9	N1	119.9°	120.0°
C10	C9	N1	121.5°	119.9°
C9	C10	C11	121.4°	120.1°
C9	C10	H10	119.7°	120.0°
C9	N1	O7	121.9°	120.0°
C9	N1	O8	121.5°	120.0°
C11	C10	H10	118.9°	119.9°
C10	C11	C12	119.7°	120.0°
C10	C11	H11	120.3°	120.0°
C12	C11	H11	120.0°	120.0°
C11	C12	H12	121.7°	120.0°
O7	N1	O8	116.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	O5	121.5°	120.3°
C2	C1	O1	H1	119.2°	119.8°
C2	C1	O5	H1	119.7°	120.0°
C1	C2	C3	O2	121.3°	119.9°
C1	C2	C3	H2	123.0°	119.8°
C1	C2	O2	H2	122.9°	120.2°
C1	C2	C3	C4	64.1°	53.7°
C1	C2	C3	O3	172.9°	173.6°
C1	C2	C3	H3	58.7°	66.1°
C2	C1	O5	C5	66.1°	67.6°
C2	C1	O1	C7	174.3°	173.9°
C1	C2	O2	HO2	180.0°	60.0°
O1	C1	O5	H1	115.2°	119.9°
O1	C1	C2	C3	60.2°	58.9°
O1	C1	C2	O2	65.9°	61.1°
O1	C1	C2	H2	178.1°	178.7°
O1	C1	O5	C5	59.0°	52.4°
C1	O1	C7	C8	84.1°	174.6°
C1	O1	C7	C12	95.9°	5.7°
O5	C1	C2	C3	65.0°	61.2°
O5	C1	C2	O2	169.0°	178.8°
O5	C1	C2	H2	52.9°	58.5°
C1	O5	C5	C4	63.1°	67.7°
C1	O5	C5	C6	171.0°	172.3°
C1	O5	C5	H5	52.9°	52.5°
O5	C1	O1	C7	64.2°	65.7°
H1	C1	C2	C3	175.3°	178.7°
H1	C1	C2	O2	49.3°	58.7°
H1	C1	C2	H2	66.8°	61.5°
H1	C1	O5	C5	174.2°	172.3°
H1	C1	O1	C7	55.0°	54.2°
C3	C2	O2	H2	117.4°	120.2°
C2	C3	C4	O3	128.3°	119.8°
C2	C3	C4	H3	116.9°	119.8°
C2	C3	O3	H3	115.9°	120.3°
C2	C3	C4	C5	60.1°	53.8°
C2	C3	C4	O4	60.9°	66.2°
C2	C3	C4	H4	179.8°	173.5°
C3	C2	O2	HO2	60.3°	179.6°
C2	C3	O3	HO3	179.9°	60.0°
O2	C2	C3	C4	174.5°	173.6°
O2	C2	C3	O3	51.5°	66.4°
O2	C2	C3	H3	62.6°	53.8°
H2	C2	C3	C4	58.9°	66.1°
H2	C2	C3	O3	64.1°	53.9°
H2	C2	C3	H3	178.3°	174.1°
H2	C2	O2	HO2	57.1°	60.2°
C4	C3	O3	H3	122.6°	120.5°
C3	C4	C5	O4	119.7°	119.9°
C3	C4	C5	H4	121.4°	119.8°
C3	C4	O4	H4	121.4°	120.3°
C3	C4	C5	C6	179.9°	178.6°
C3	C4	C5	O5	58.7°	61.4°
C3	C4	C5	H5	62.6°	58.8°
C4	C3	O3	HO3	58.6°	179.2°
C3	C4	O4	HO4	180.0°	60.0°
O3	C3	C4	C5	171.6°	173.6°
O3	C3	C4	O4	67.4°	53.6°
O3	C3	C4	H4	51.5°	66.6°
H3	C3	C4	C5	56.8°	66.0°
H3	C3	C4	O4	177.8°	174.0°
H3	C3	C4	H4	63.4°	53.8°
H3	C3	O3	HO3	64.0°	60.3°
C5	C4	O4	H4	120.2°	120.1°
C4	C5	C6	O5	122.8°	120.3°
C4	C5	C6	H5	115.6°	119.8°
C4	C5	O5	H5	116.0°	120.1°
C4	C5	C6	O6	177.5°	174.8°
C4	C5	C6	H61	52.3°	65.2°
C4	C5	C6	H62	57.2°	54.8°
C5	C4	O4	HO4	61.6°	179.6°
O4	C4	C5	C6	60.1°	61.5°
O4	C4	C5	O5	61.0°	58.6°
O4	C4	C5	H5	177.6°	178.7°
H4	C4	C5	C6	58.7°	58.7°
H4	C4	C5	O5	179.9°	178.8°
H4	C4	C5	H5	58.8°	61.1°
H4	C4	O4	HO4	58.5°	60.3°
C6	C5	O5	H5	118.1°	119.8°
C5	C6	O6	H61	125.2°	120.0°
C5	C6	O6	H62	125.3°	120.0°
C5	C6	H61	H62	118.4°	120.0°
C5	C6	O6	HO6	180.0°	179.9°
O5	C5	C6	O6	59.7°	64.9°
O5	C5	C6	H61	175.1°	55.1°
O5	C5	C6	H62	65.6°	175.1°
H5	C5	C6	O6	61.9°	55.0°
H5	C5	C6	H61	63.3°	175.0°
H5	C5	C6	H62	172.8°	65.0°
O6	C6	H61	H62	118.4°	120.0°
H61	C6	O6	HO6	54.8°	60.0°
H62	C6	O6	HO6	54.7°	60.0°
C8	C7	C12	O1	180.0°	179.7°
C7	C8	C9	H8	180.0°	179.4°
C7	C8	C9	C10	0.2°	0.5°
C7	C8	C9	N1	179.9°	179.7°
C8	C7	C12	C11	0.1°	0.2°
C8	C7	C12	H12	179.9°	179.7°
C12	C7	C8	C9	0.0°	0.6°
C12	C7	C8	H8	179.9°	180.0°
C7	C12	C11	C10	0.1°	0.1°
C7	C12	C11	H12	180.0°	179.9°
C7	C12	C11	H11	179.8°	180.0°
O1	C7	C8	C9	179.9°	179.8°
O1	C7	C8	H8	0.1°	0.3°
O1	C7	C12	C11	179.9°	179.9°
O1	C7	C12	H12	0.1°	0.0°
C8	C9	C10	N1	179.9°	179.8°
C8	C9	C10	C11	0.2°	0.2°
C8	C9	C10	H10	179.8°	179.7°
C8	C9	N1	O7	179.5°	179.7°
C8	C9	N1	O8	0.0°	0.2°
H8	C8	C9	C10	179.8°	180.0°
H8	C8	C9	N1	0.1°	0.3°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.0°	0.1°
C9	C10	C11	H11	180.0°	180.0°
C10	C9	N1	O7	0.7°	0.0°
C10	C9	N1	O8	179.9°	180.0°
N1	C9	C10	C11	179.9°	180.0°
N1	C9	C10	H10	0.1°	0.0°
C9	N1	O7	O8	179.5°	180.0°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	H12	179.9°	180.0°
H10	C10	C11	C12	180.0°	180.0°
H10	C10	C11	H11	0.0°	0.0°
H11	C11	C12	H12	0.1°	0.0°

Definition date:	1999-07-08
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1EEI