II1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C6	doub	1.21Å	1.33Å
C6	O1	sing	1.34Å	1.23Å
C6	C5	sing	1.51Å	1.52Å
C5	C4	sing	1.53Å	1.54Å
O2	C7	doub	1.21Å	1.36Å
C7	O3	sing	1.34Å	1.23Å
C7	C4	sing	1.51Å	1.51Å
C4	N2	sing	1.47Å	1.46Å
N	C	sing	1.47Å	1.48Å
N2	C3	sing	1.47Å	1.47Å
O6	C9	doub	1.21Å	1.33Å
C	C9	sing	1.51Å	1.54Å
C	C1	sing	1.53Å	1.53Å
C9	O7	sing	1.34Å	1.23Å
N1	C1	sing	1.47Å	1.47Å
N1	C2	sing	1.47Å	1.47Å
C3	C2	sing	1.53Å	1.54Å
C2	C8	sing	1.51Å	1.53Å
C8	O4	doub	1.21Å	1.32Å
C8	O5	sing	1.34Å	1.22Å
N1	H1	sing	1.01Å	1.00Å
C2	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
O3	H6	sing	0.97Å	0.95Å
C4	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
N	H10	sing	1.01Å	1.00Å
N	H11	sing	1.01Å	1.00Å
C	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
N2	H16	sing	1.01Å	1.00Å
O1	H18	sing	0.97Å	0.95Å
O5	H19	sing	0.97Å	0.95Å
O7	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C6	O1	123.9°	120.0°
O	C6	C5	113.3°	119.9°
O1	C6	C5	122.8°	120.0°
C6	O1	H18	109.5°	117.0°
C6	C5	C4	113.6°	109.5°
C6	C5	H8	108.4°	109.4°
C6	C5	H9	108.4°	109.5°
C5	C4	C7	110.1°	109.5°
C5	C4	N2	111.4°	109.5°
C5	C4	H7	109.9°	109.5°
C4	C5	H8	108.4°	109.5°
C4	C5	H9	108.5°	109.5°
O2	C7	O3	126.7°	120.0°
O2	C7	C4	114.0°	120.0°
O3	C7	C4	119.2°	120.0°
C7	O3	H6	109.5°	117.0°
C7	C4	N2	104.2°	109.4°
C7	C4	H7	110.2°	109.5°
C4	N2	C3	111.4°	111.0°
N2	C4	H7	111.0°	109.4°
C4	N2	H16	109.0°	111.0°
N	C	C9	116.8°	109.5°
N	C	C1	103.8°	109.4°
C	N	H10	109.5°	111.0°
C	N	H11	109.5°	111.0°
N	C	H13	110.4°	109.5°
N2	C3	C2	110.1°	109.5°
N2	C3	H4	109.3°	109.5°
N2	C3	H5	109.3°	109.4°
C3	N2	H16	109.0°	111.0°
O6	C9	C	117.1°	120.0°
O6	C9	O7	123.3°	120.0°
C9	C	C1	106.1°	109.5°
C	C9	O7	119.6°	120.0°
C9	C	H13	109.6°	109.5°
C	C1	N1	104.7°	109.5°
C1	C	H13	109.7°	109.5°
C	C1	H14	110.7°	109.4°
C	C1	H15	110.6°	109.5°
C9	O7	H20	109.5°	117.0°
C1	N1	C2	113.1°	111.0°
C1	N1	H1	108.5°	111.0°
N1	C1	H14	110.7°	109.5°
N1	C1	H15	110.7°	109.5°
N1	C2	C3	108.4°	109.4°
N1	C2	C8	119.6°	109.5°
C2	N1	H1	108.6°	111.1°
N1	C2	H3	105.4°	109.5°
C3	C2	C8	112.8°	109.5°
C3	C2	H3	104.6°	109.5°
C2	C3	H4	109.3°	109.5°
C2	C3	H5	109.3°	109.5°
C2	C8	O4	115.0°	120.0°
C2	C8	O5	121.8°	120.0°
C8	C2	H3	104.7°	109.5°
O4	C8	O5	123.2°	120.0°
C8	O5	H19	109.5°	117.0°
H4	C3	H5	109.4°	109.5°
H8	C5	H9	109.5°	109.4°
H10	N	H11	109.5°	111.0°
H14	C1	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C6	O1	C5	179.7°	180.0°
O	C6	C5	C4	161.9°	0.0°
O	C6	C5	H8	77.5°	120.1°
O	C6	C5	H9	41.3°	120.0°
O	C6	O1	H18	0.0°	0.0°
O1	C6	C5	C4	18.3°	180.0°
O1	C6	C5	H8	102.3°	60.0°
O1	C6	C5	H9	139.0°	60.0°
C6	C5	C4	H8	120.6°	120.0°
C6	C5	C4	H9	120.6°	120.0°
C6	C5	C4	C7	51.8°	175.0°
C6	C5	C4	N2	63.3°	65.0°
C6	C5	C4	H7	173.3°	55.0°
C6	C5	H8	H9	118.1°	120.0°
C5	C6	O1	H18	179.7°	180.0°
C5	C4	C7	O2	85.1°	120.0°
C5	C4	C7	O3	93.3°	60.0°
C5	C4	C7	N2	119.6°	120.0°
C5	C4	C7	H7	121.3°	120.1°
C5	C4	N2	H7	122.8°	120.0°
C5	C4	N2	C3	163.3°	155.0°
C4	C5	H8	H9	118.1°	120.0°
C5	C4	N2	H16	76.4°	81.1°
O2	C7	O3	C4	178.2°	180.0°
O2	C7	C4	N2	155.3°	0.0°
O2	C7	O3	H6	0.0°	0.0°
O2	C7	C4	H7	36.3°	119.9°
O3	C7	C4	N2	26.3°	180.0°
O3	C7	C4	H7	145.3°	60.0°
C7	C4	N2	H7	118.5°	120.0°
C7	C4	N2	C3	78.0°	85.0°
C4	C7	O3	H6	178.2°	180.0°
C7	C4	C5	H8	172.4°	65.0°
C7	C4	C5	H9	68.8°	55.0°
C7	C4	N2	H16	42.3°	38.9°
C4	N2	C3	H16	120.3°	123.9°
C4	N2	C3	C2	144.8°	174.1°
C4	N2	C3	H4	95.1°	65.9°
C4	N2	C3	H5	24.7°	54.1°
N2	C4	C5	H8	57.3°	55.0°
N2	C4	C5	H9	176.1°	175.0°
N	C	C9	O6	19.7°	19.9°
N	C	C9	C1	115.1°	120.0°
N	C	C9	H13	126.5°	120.0°
N	C	C1	H13	118.0°	120.0°
N	C	C9	O7	160.0°	160.0°
N	C	C1	N1	36.7°	55.0°
C	N	H10	H11	120.0°	123.9°
N	C	C1	H14	156.0°	175.0°
N	C	C1	H15	82.5°	65.0°
N2	C3	C2	N1	45.0°	58.1°
N2	C3	C2	H4	120.1°	120.0°
N2	C3	C2	H5	120.1°	119.9°
N2	C3	C2	C8	179.8°	178.0°
N2	C3	C2	H3	67.0°	61.9°
N2	C3	H4	H5	119.7°	120.0°
C3	N2	C4	H7	40.6°	35.0°
O6	C9	C	O7	179.7°	179.9°
O6	C9	C	C1	134.9°	100.0°
O6	C9	C	H13	106.8°	140.0°
O6	C9	O7	H20	0.0°	0.0°
C9	C	C1	H13	118.3°	120.0°
C9	C	C1	N1	87.0°	175.0°
C9	C	N	H10	180.0°	60.0°
C9	C	N	H11	60.0°	176.1°
C9	C	C1	H14	32.3°	65.0°
C9	C	C1	H15	153.8°	54.9°
C	C9	O7	H20	179.7°	179.9°
C1	C	C9	O7	44.9°	80.1°
C	C1	N1	H14	119.3°	120.0°
C	C1	N1	H15	119.2°	120.0°
C	C1	N1	C2	177.0°	180.0°
C	C1	N1	H1	56.4°	56.0°
C1	C	N	H10	63.6°	60.0°
C1	C	N	H11	176.3°	63.9°
C	C1	H14	H15	122.2°	119.9°
O7	C9	C	H13	73.5°	40.0°
C1	N1	C2	H1	120.5°	124.0°
C1	N1	C2	C3	161.8°	153.3°
C1	N1	C2	C8	67.0°	86.7°
C1	N1	C2	H3	50.3°	33.3°
N1	C1	C	H13	154.7°	65.0°
N1	C1	H14	H15	122.2°	120.0°
N1	C2	C3	C8	134.8°	120.0°
N1	C2	C3	H3	112.1°	120.0°
N1	C2	C8	H3	117.7°	120.0°
N1	C2	C8	O4	13.5°	0.0°
N1	C2	C8	O5	164.1°	180.0°
N1	C2	C3	H4	165.2°	62.0°
N1	C2	C3	H5	75.1°	178.0°
C2	N1	C1	H14	63.7°	60.0°
C2	N1	C1	H15	57.8°	60.0°
C3	C2	C8	H3	113.1°	120.0°
C3	C2	C8	O4	115.8°	119.9°
C3	C2	C8	O5	66.7°	60.0°
C3	C2	N1	H1	41.3°	29.3°
C2	C3	H4	H5	119.7°	120.0°
C2	C3	N2	H16	24.5°	62.0°
C2	C8	O4	O5	177.5°	179.9°
C8	C2	N1	H1	172.4°	149.3°
C8	C2	C3	H4	60.1°	58.0°
C8	C2	C3	H5	59.7°	62.1°
C2	C8	O5	H19	177.4°	180.0°
O4	C8	C2	H3	131.1°	120.0°
O4	C8	O5	H19	0.0°	0.0°
O5	C8	C2	H3	46.4°	60.0°
H1	N1	C2	H3	70.3°	90.7°
H1	N1	C1	H14	175.7°	64.0°
H1	N1	C1	H15	62.8°	176.0°
H3	C2	C3	H4	53.1°	178.0°
H3	C2	C3	H5	172.9°	58.0°
H4	C3	N2	H16	144.6°	58.1°
H5	C3	N2	H16	95.6°	178.1°
H7	C4	C5	H8	66.1°	175.0°
H7	C4	C5	H9	52.7°	65.1°
H7	C4	N2	H16	160.8°	158.9°
H10	N	C	H13	53.8°	180.0°
H11	N	C	H13	66.2°	56.1°
H13	C	C1	H14	86.0°	55.1°
H13	C	C1	H15	35.5°	175.0°

Release date:	2024-04-10
Definition date:	2023-05-04
Last modified:	2024-04-05
Release status:	REL
Processing site:	RCSB
Derived from:	8SPM