IN1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1A	C2A	sing	1.53Å	1.52Å
C1A	O1	sing	1.43Å	1.43Å
C1A	H11	sing	1.09Å	1.12Å
C1A	H12	sing	1.09Å	1.12Å
C2A	C6A	sing	1.53Å	1.53Å
C2A	H21	sing	1.09Å	1.12Å
C2A	H22	sing	1.09Å	1.12Å
C3A	C6A	sing	1.53Å	1.52Å
C3A	O2A	sing	1.45Å	1.44Å
C3A	H31	sing	1.09Å	1.11Å
C3A	H32	sing	1.09Å	1.11Å
C7	C5A	sing	1.53Å	1.51Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.12Å
C7	H73	sing	1.09Å	1.12Å
C1	C2	sing	1.53Å	1.52Å
C1	O5	sing	1.42Å	1.49Å
C1	O1	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.12Å
C2	C3	sing	1.53Å	1.53Å
C2	O2	sing	1.43Å	1.42Å
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	1.11Å
C4	C5	sing	1.53Å	1.55Å
C4	O4	sing	1.43Å	1.42Å
C4	H4	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.56Å
C5	O5	sing	1.43Å	1.46Å
C5	H5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.41Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
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
C6A	O1R	sing	1.43Å	1.42Å
C6A	O4S	sing	1.43Å	1.42Å
O1R	HO1	sing	0.97Å	0.95Å
O2A	C4A	sing	1.34Å	1.42Å
C4A	C5A	sing	1.51Å	1.55Å
C4A	O3A	doub	1.21Å	1.24Å
C5A	H51	sing	1.09Å	1.12Å
C5A	H52	sing	1.09Å	1.11Å
O4S	HOS4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2A	C1A	O1	113.3°	109.5°
C2A	C1A	H11	110.8°	109.6°
C2A	C1A	H12	110.8°	109.4°
C1A	C2A	C6A	111.4°	109.5°
C1A	C2A	H21	111.5°	109.6°
C1A	C2A	H22	111.5°	109.5°
O1	C1A	H11	110.8°	109.5°
O1	C1A	H12	110.8°	109.4°
C1A	O1	C1	104.4°	106.8°
H11	C1A	H12	99.4°	109.4°
C6A	C2A	H21	111.5°	109.5°
C6A	C2A	H22	111.5°	109.4°
C2A	C6A	C3A	102.3°	109.5°
C2A	C6A	O1R	116.6°	109.5°
C2A	C6A	O4S	110.1°	109.4°
H21	C2A	H22	98.9°	109.4°
C6A	C3A	O2A	109.2°	109.5°
C6A	C3A	H31	112.3°	109.5°
C6A	C3A	H32	112.3°	109.4°
C3A	C6A	O1R	114.2°	109.5°
C3A	C6A	O4S	109.9°	109.4°
O2A	C3A	H31	112.3°	109.5°
O2A	C3A	H32	112.3°	109.5°
C3A	O2A	C4A	115.2°	120.1°
H31	C3A	H32	98.1°	109.5°
C5A	C7	H71	109.9°	109.5°
C5A	C7	H72	112.0°	109.4°
C5A	C7	H73	112.0°	109.5°
C7	C5A	C4A	110.0°	109.5°
C7	C5A	H51	112.0°	109.6°
C7	C5A	H52	112.1°	109.4°
H71	C7	H72	112.1°	109.4°
H71	C7	H73	112.1°	109.5°
H72	C7	H73	98.4°	109.4°
C2	C1	O5	112.4°	109.7°
C2	C1	O1	107.2°	109.4°
C2	C1	H1	109.1°	109.4°
C1	C2	C3	108.1°	109.1°
C1	C2	O2	112.2°	109.6°
C1	C2	H2	110.1°	109.7°
O5	C1	O1	109.4°	109.5°
O5	C1	H1	106.8°	109.4°
C1	O5	C5	115.5°	107.7°
O1	C1	H1	112.1°	109.4°
C3	C2	O2	113.7°	109.5°
C3	C2	H2	108.5°	109.5°
C2	C3	C4	107.4°	108.6°
C2	C3	O3	108.0°	109.8°
C2	C3	H3	112.0°	109.6°
O2	C2	H2	104.1°	109.5°
C2	O2	HO2	112.2°	106.8°
C4	C3	O3	110.2°	109.6°
C4	C3	H3	109.8°	109.6°
C3	C4	C5	110.9°	109.0°
C3	C4	O4	108.5°	109.6°
C3	C4	H4	110.5°	109.5°
O3	C3	H3	109.3°	109.6°
C3	O3	HO3	108.0°	106.8°
C5	C4	O4	113.1°	109.5°
C5	C4	H4	105.6°	109.5°
C4	C5	C6	113.5°	109.4°
C4	C5	O5	110.2°	109.8°
C4	C5	H5	104.5°	109.4°
O4	C4	H4	108.1°	109.5°
C4	O4	HO4	108.5°	106.8°
C6	C5	O5	103.4°	109.4°
C6	C5	H5	111.2°	109.4°
C5	C6	O6	107.4°	109.5°
C5	C6	H61	113.0°	109.5°
C5	C6	H62	113.0°	109.5°
O5	C5	H5	114.4°	109.3°
O6	C6	H61	113.0°	109.5°
O6	C6	H62	113.0°	109.4°
C6	O6	HO6	107.4°	106.9°
H61	C6	H62	97.5°	109.4°
O1R	C6A	O4S	103.9°	109.5°
C6A	O1R	HO1	116.6°	106.7°
C6A	O4S	HOS4	110.1°	106.9°
O2A	C4A	C5A	104.9°	120.1°
O2A	C4A	O3A	120.7°	119.9°
C5A	C4A	O3A	121.7°	120.0°
C4A	C5A	H51	112.0°	109.5°
C4A	C5A	H52	112.0°	109.4°
H51	C5A	H52	98.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2A	C1A	O1	H11	125.3°	120.1°
C2A	C1A	O1	H12	125.3°	119.9°
C2A	C1A	H11	H12	116.7°	120.0°
C1A	C2A	C6A	H21	125.2°	120.2°
C1A	C2A	C6A	H22	125.3°	120.0°
C1A	C2A	H21	H22	117.4°	120.0°
C1A	C2A	C6A	C3A	114.0°	180.0°
C2A	C1A	O1	C1	170.5°	180.0°
C1A	C2A	C6A	O1R	11.3°	59.9°
C1A	C2A	C6A	O4S	129.2°	60.1°
O1	C1A	H11	H12	116.6°	119.9°
O1	C1A	C2A	C6A	58.3°	180.0°
O1	C1A	C2A	H21	176.4°	59.8°
O1	C1A	C2A	H22	67.0°	60.1°
C1A	O1	C1	C2	176.2°	179.9°
C1A	O1	C1	O5	61.7°	59.8°
C1A	O1	C1	H1	56.5°	60.1°
H11	C1A	C2A	C6A	176.4°	59.9°
H11	C1A	C2A	H21	51.1°	180.0°
H11	C1A	C2A	H22	58.3°	60.1°
H11	C1A	O1	C1	45.3°	59.9°
H12	C1A	C2A	C6A	67.0°	60.1°
H12	C1A	C2A	H21	58.3°	60.0°
H12	C1A	C2A	H22	167.7°	179.9°
H12	C1A	O1	C1	64.1°	60.1°
C6A	C2A	H21	H22	117.4°	119.9°
C2A	C6A	C3A	O1R	126.9°	120.1°
C2A	C6A	C3A	O4S	116.9°	119.9°
C2A	C6A	C3A	O2A	158.0°	179.9°
C2A	C6A	C3A	H31	32.7°	59.9°
C2A	C6A	C3A	H32	76.7°	60.1°
C2A	C6A	O1R	O4S	121.3°	120.0°
C2A	C6A	O1R	HO1	180.0°	60.0°
C2A	C6A	O4S	HOS4	180.0°	60.0°
H21	C2A	C6A	C3A	120.7°	59.9°
H21	C2A	C6A	O1R	114.0°	179.9°
H21	C2A	C6A	O4S	4.0°	60.0°
H22	C2A	C6A	C3A	11.3°	60.0°
H22	C2A	C6A	O1R	136.6°	60.1°
H22	C2A	C6A	O4S	105.5°	179.9°
C6A	C3A	O2A	H31	125.2°	120.0°
C6A	C3A	O2A	H32	125.3°	120.0°
C6A	C3A	H31	H32	118.2°	119.9°
C3A	C6A	O1R	O4S	119.6°	120.0°
C3A	C6A	O1R	HO1	60.9°	60.1°
C6A	C3A	O2A	C4A	109.8°	180.0°
C3A	C6A	O4S	HOS4	68.1°	59.9°
O2A	C3A	H31	H32	118.3°	120.0°
O2A	C3A	C6A	O1R	75.1°	60.0°
O2A	C3A	C6A	O4S	41.1°	60.0°
C3A	O2A	C4A	C5A	152.4°	180.0°
C3A	O2A	C4A	O3A	10.2°	0.0°
H31	C3A	C6A	O1R	159.7°	180.0°
H31	C3A	C6A	O4S	84.1°	60.0°
H31	C3A	O2A	C4A	15.4°	60.0°
H32	C3A	C6A	O1R	50.2°	60.0°
H32	C3A	C6A	O4S	166.4°	179.9°
H32	C3A	O2A	C4A	124.9°	60.0°
C5A	C7	H71	H72	125.2°	119.9°
C5A	C7	H71	H73	125.3°	120.2°
C5A	C7	H72	H73	117.9°	120.0°
C7	C5A	C4A	O2A	162.9°	179.9°
C7	C5A	C4A	H51	125.2°	120.1°
C7	C5A	C4A	H52	125.3°	119.9°
C7	C5A	C4A	O3A	21.1°	0.1°
C7	C5A	H51	H52	118.0°	120.0°
H71	C7	H72	H73	118.0°	120.0°
H71	C7	C5A	C4A	180.0°	179.9°
H71	C7	C5A	H51	54.8°	59.8°
H71	C7	C5A	H52	54.8°	60.1°
H72	C7	C5A	C4A	54.7°	60.1°
H72	C7	C5A	H51	70.5°	60.0°
H72	C7	C5A	H52	180.0°	180.0°
H73	C7	C5A	C4A	54.7°	59.9°
H73	C7	C5A	H51	179.9°	180.0°
H73	C7	C5A	H52	70.5°	60.0°
C2	C1	O5	O1	118.9°	120.1°
C2	C1	O5	H1	119.6°	120.0°
C2	C1	O1	H1	119.7°	119.8°
C1	C2	C3	O2	125.3°	119.9°
C1	C2	C3	H2	119.4°	120.0°
C1	C2	O2	H2	119.0°	120.3°
C1	C2	C3	C4	62.2°	53.8°
C1	C2	C3	O3	178.9°	173.6°
C1	C2	C3	H3	58.5°	65.9°
C2	C1	O5	C5	51.9°	67.5°
C1	C2	O2	HO2	179.9°	60.4°
O5	C1	O1	H1	118.2°	119.9°
O5	C1	C2	C3	56.9°	61.3°
O5	C1	C2	O2	176.9°	178.8°
O5	C1	C2	H2	61.5°	58.6°
C1	O5	C5	C4	49.2°	67.5°
C1	O5	C5	C6	170.8°	172.3°
C1	O5	C5	H5	68.2°	52.5°
O1	C1	C2	C3	177.2°	178.5°
O1	C1	C2	O2	56.7°	58.7°
O1	C1	C2	H2	58.8°	61.6°
O1	C1	O5	C5	170.8°	172.3°
H1	C1	C2	C3	61.3°	58.7°
H1	C1	C2	O2	64.8°	61.2°
H1	C1	C2	H2	179.7°	178.6°
H1	C1	O5	C5	67.7°	52.5°
C3	C2	O2	H2	117.9°	120.1°
C2	C3	C4	O3	117.5°	119.9°
C2	C3	C4	H3	122.0°	119.7°
C2	C3	O3	H3	122.0°	120.5°
C2	C3	C4	C5	62.2°	53.7°
C2	C3	C4	O4	173.0°	173.7°
C2	C3	C4	H4	54.5°	66.1°
C3	C2	O2	HO2	56.9°	180.0°
C2	C3	O3	HO3	180.0°	60.8°
O2	C2	C3	C4	172.5°	173.7°
O2	C2	C3	O3	53.6°	66.5°
O2	C2	C3	H3	66.8°	54.0°
H2	C2	C3	C4	57.2°	66.2°
H2	C2	C3	O3	61.7°	53.6°
H2	C2	C3	H3	177.9°	174.1°
H2	C2	O2	HO2	61.0°	59.9°
C4	C3	O3	H3	120.8°	120.3°
C3	C4	C5	O4	122.2°	120.0°
C3	C4	C5	H4	119.8°	119.9°
C3	C4	O4	H4	119.9°	120.2°
C3	C4	C5	C6	170.3°	178.6°
C3	C4	C5	O5	54.9°	61.2°
C3	C4	C5	H5	68.4°	58.8°
C4	C3	O3	HO3	62.9°	180.0°
C3	C4	O4	HO4	180.0°	60.4°
O3	C3	C4	C5	179.7°	173.6°
O3	C3	C4	O4	55.5°	66.4°
O3	C3	C4	H4	62.9°	53.8°
H3	C3	C4	C5	59.8°	66.0°
H3	C3	C4	O4	65.0°	53.9°
H3	C3	C4	H4	176.6°	174.1°
H3	C3	O3	HO3	58.0°	59.7°
C5	C4	O4	H4	116.6°	120.1°
C4	C5	C6	O5	119.4°	120.4°
C4	C5	C6	H5	117.5°	119.8°
C4	C5	O5	H5	117.4°	120.1°
C4	C5	C6	O6	179.6°	179.7°
C4	C5	C6	H61	54.4°	59.6°
C4	C5	C6	H62	55.1°	60.3°
C5	C4	O4	HO4	56.5°	180.0°
O4	C4	C5	C6	67.5°	58.6°
O4	C4	C5	O5	177.1°	178.8°
O4	C4	C5	H5	53.7°	61.2°
H4	C4	C5	C6	50.5°	61.5°
H4	C4	C5	O5	64.9°	58.7°
H4	C4	C5	H5	171.8°	178.7°
H4	C4	O4	HO4	60.1°	59.8°
C6	C5	O5	H5	121.0°	119.8°
C5	C6	O6	H61	125.2°	120.1°
C5	C6	O6	H62	125.3°	120.0°
C5	C6	H61	H62	118.9°	120.0°
C5	C6	O6	HO6	179.9°	180.0°
O5	C5	C6	O6	61.1°	59.9°
O5	C5	C6	H61	173.7°	180.0°
O5	C5	C6	H62	64.2°	60.1°
H5	C5	C6	O6	62.1°	59.9°
H5	C5	C6	H61	63.1°	60.2°
H5	C5	C6	H62	172.6°	179.8°
O6	C6	H61	H62	118.9°	119.9°
H61	C6	O6	HO6	54.7°	59.9°
H62	C6	O6	HO6	54.8°	60.0°
O1R	C6A	O4S	HOS4	54.4°	179.9°
O4S	C6A	O1R	HO1	58.7°	180.0°
O2A	C4A	C5A	O3A	141.8°	180.0°
O2A	C4A	C5A	H51	71.9°	59.9°
O2A	C4A	C5A	H52	37.6°	60.0°
C4A	C5A	H51	H52	117.9°	119.9°
O3A	C4A	C5A	H51	146.3°	120.1°
O3A	C4A	C5A	H52	104.2°	120.0°

Definition date:	1999-07-08
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	4OVW