ZPF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	doub	1.21Å	1.21Å
C1	C2	sing	1.51Å	1.52Å
C2	N	sing	1.35Å	1.38Å
N	C3	sing	1.47Å	1.46Å
C3	C8	sing	1.54Å	1.59Å
C3	C4	sing	1.53Å	1.55Å
O6	C4	sing	1.43Å	1.39Å
C8	O3	sing	1.44Å	1.41Å
C8	O2	sing	1.44Å	1.42Å
C4	C5	sing	1.53Å	1.57Å
O5	C5	sing	1.43Å	1.43Å
O3	C6	sing	1.45Å	1.43Å
O2	C7	sing	1.44Å	1.44Å
C5	C6	sing	1.54Å	1.59Å
C6	C7	sing	1.55Å	1.58Å
C6	C9	sing	1.53Å	1.55Å
C9	O4	sing	1.43Å	1.39Å
C4	H2	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
N	H8	sing	0.97Å	1.00Å
C3	H1	sing	1.09Å	1.10Å
O6	H15	sing	0.97Å	0.95Å
C5	H3	sing	1.09Å	1.10Å
O5	H14	sing	0.97Å	0.95Å
O4	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	C1	123.8°	120.0°
O1	C2	N	120.1°	120.0°
C1	C2	N	116.1°	119.9°
C2	C1	H5	109.5°	109.4°
C2	C1	H7	109.5°	109.5°
C2	C1	H6	109.5°	109.5°
C2	N	C3	123.0°	119.9°
C2	N	H8	118.5°	120.0°
N	C3	C8	110.2°	109.6°
N	C3	C4	108.2°	109.6°
C3	N	H8	118.5°	120.0°
N	C3	H1	110.0°	109.6°
C8	C3	C4	111.3°	108.8°
C3	C8	O3	107.9°	107.5°
C3	C8	O2	110.0°	108.2°
C3	C8	H4	109.9°	112.0°
C8	C3	H1	108.3°	109.7°
C3	C4	O6	110.6°	109.5°
C3	C4	C5	111.1°	109.3°
C3	C4	H2	106.7°	109.5°
C4	C3	H1	108.7°	109.6°
O6	C4	C5	112.9°	109.5°
O6	C4	H2	108.7°	109.4°
C4	O6	H15	109.5°	114.0°
O3	C8	O2	103.7°	105.9°
C8	O3	C6	106.0°	102.7°
O3	C8	H4	112.6°	111.4°
C8	O2	C7	109.3°	106.9°
O2	C8	H4	112.5°	111.4°
C4	C5	O5	103.9°	109.6°
C4	C5	C6	109.6°	108.5°
C5	C4	H2	106.5°	109.5°
C4	C5	H3	109.8°	109.7°
O5	C5	C6	112.1°	109.6°
O5	C5	H3	111.8°	109.8°
C5	O5	H14	109.5°	114.0°
O3	C6	C5	106.3°	107.1°
O3	C6	C7	100.6°	102.6°
O3	C6	C9	111.0°	113.4°
O2	C7	C6	102.6°	105.0°
O2	C7	H9	111.2°	109.7°
O2	C7	H10	111.2°	111.1°
C5	C6	C7	112.9°	107.7°
C5	C6	C9	109.7°	112.6°
C6	C5	H3	109.5°	109.6°
C7	C6	C9	115.5°	112.7°
C6	C7	H9	111.2°	110.3°
C6	C7	H10	111.2°	110.3°
C6	C9	O4	110.3°	109.4°
C6	C9	H11	109.3°	109.5°
C6	C9	H12	109.2°	109.5°
O4	C9	H11	109.2°	109.5°
O4	C9	H12	109.2°	109.4°
C9	O4	H13	109.5°	114.0°
H9	C7	H10	109.4°	110.3°
H11	C9	H12	109.5°	109.5°
H5	C1	H7	109.5°	109.5°
H5	C1	H6	109.4°	109.5°
H7	C1	H6	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C1	N	179.4°	180.0°
O1	C2	N	C3	0.9°	0.0°
O1	C2	C1	H5	0.0°	0.0°
O1	C2	C1	H7	120.0°	120.0°
O1	C2	C1	H6	120.0°	119.9°
O1	C2	N	H8	179.2°	180.0°
C1	C2	N	C3	179.7°	180.0°
C2	C1	H5	H7	120.0°	120.0°
C2	C1	H5	H6	120.0°	120.0°
C2	C1	H7	H6	120.0°	120.0°
C1	C2	N	H8	0.3°	0.0°
C2	N	C3	H8	180.0°	180.0°
C2	N	C3	C8	87.9°	85.0°
C2	N	C3	C4	150.1°	155.7°
N	C2	C1	H5	179.4°	180.0°
N	C2	C1	H7	60.5°	60.0°
N	C2	C1	H6	59.4°	60.0°
C2	N	C3	H1	31.4°	35.4°
N	C3	C8	C4	120.1°	119.8°
N	C3	C8	H1	120.4°	120.4°
N	C3	C4	H1	119.5°	120.3°
N	C3	C4	O6	70.4°	68.7°
N	C3	C8	O3	176.5°	176.3°
N	C3	C8	O2	64.0°	69.7°
N	C3	C4	C5	163.3°	171.3°
N	C3	C4	H2	47.6°	51.4°
N	C3	C8	H4	60.4°	53.5°
C8	C3	C4	H1	119.2°	119.9°
C8	C3	C4	O6	168.3°	171.6°
C3	C8	O3	O2	116.7°	115.6°
C3	C8	O3	H4	121.5°	123.1°
C3	C8	O2	H4	122.9°	123.6°
C8	C3	C4	C5	42.0°	51.5°
C3	C8	O3	C6	74.6°	74.8°
C3	C8	O2	C7	90.0°	89.0°
C8	C3	C4	H2	73.7°	68.4°
C8	C3	N	H8	92.1°	94.9°
C3	C4	O6	C5	125.3°	119.9°
C3	C4	O6	H2	116.8°	120.1°
C4	C3	C8	O3	56.4°	63.9°
C4	C3	C8	O2	56.2°	50.1°
C3	C4	C5	H2	115.9°	120.0°
C3	C4	C5	O5	75.4°	67.7°
C3	C4	C5	C6	44.6°	52.0°
C4	C3	C8	H4	179.5°	173.3°
C4	C3	N	H8	29.9°	24.4°
C3	C4	O6	H15	180.0°	179.8°
C3	C4	C5	H3	164.9°	171.8°
O6	C4	C5	H2	119.2°	120.0°
O6	C4	C5	O5	49.6°	52.3°
O6	C4	C5	C6	169.5°	172.0°
O6	C4	C3	H1	49.1°	51.6°
O6	C4	C5	H3	70.1°	68.3°
O3	C8	O2	H4	122.0°	121.3°
O3	C8	O2	C7	25.1°	26.1°
C8	O3	C6	C5	77.6°	75.2°
C8	O3	C6	C7	40.3°	38.1°
C8	O3	C6	C9	163.1°	160.0°
O3	C8	C3	H1	63.1°	55.9°
O2	C8	O3	C6	42.1°	40.8°
C8	O2	C7	C6	0.5°	1.7°
C8	O2	C7	H9	119.5°	116.9°
C8	O2	C7	H10	118.4°	120.9°
O2	C8	C3	H1	175.6°	169.9°
C4	C5	O5	C6	118.2°	119.0°
C4	C5	O5	H3	118.4°	120.5°
C4	C5	C6	O3	61.4°	64.8°
C4	C5	C6	H3	120.5°	119.8°
C4	C5	C6	C7	48.0°	45.0°
C4	C5	C6	C9	178.5°	169.9°
C5	C4	C3	H1	77.2°	68.4°
C5	C4	O6	H15	54.7°	60.0°
C4	C5	O5	H14	180.0°	60.0°
O5	C5	C6	O3	53.4°	54.9°
O5	C5	C6	H3	124.7°	120.5°
O5	C5	C6	C7	162.8°	164.7°
O5	C5	C6	C9	66.8°	70.4°
O5	C5	C4	H2	168.8°	172.3°
O3	C6	C7	O2	23.6°	22.8°
O3	C6	C5	C7	109.4°	109.8°
O3	C6	C5	C9	120.2°	125.3°
O3	C6	C7	C9	119.6°	122.3°
O3	C6	C9	O4	49.0°	61.8°
O3	C6	C7	H9	95.3°	140.9°
O3	C6	C7	H10	142.5°	97.0°
O3	C6	C9	H11	169.1°	178.2°
O3	C6	C9	H12	71.1°	58.2°
C6	O3	C8	H4	163.9°	162.1°
O3	C6	C5	H3	178.1°	175.5°
O2	C7	C6	C5	89.3°	90.1°
O2	C7	C6	H9	118.9°	118.2°
O2	C7	C6	H10	118.9°	119.7°
O2	C7	C6	C9	143.2°	145.1°
O2	C7	H9	H10	123.2°	122.7°
C7	O2	C8	H4	147.1°	147.4°
C5	C6	C7	C9	127.5°	124.8°
C5	C6	C9	O4	166.3°	176.4°
C6	C5	C4	H2	71.3°	68.0°
C5	C6	C7	H9	151.8°	28.1°
C5	C6	C7	H10	29.6°	150.2°
C5	C6	C9	H11	73.6°	56.4°
C5	C6	C9	H12	46.2°	63.6°
C6	C5	O5	H14	61.8°	179.0°
C7	C6	C9	O4	64.7°	54.3°
C6	C7	H9	H10	123.2°	122.1°
C7	C6	C9	H11	55.4°	65.7°
C7	C6	C9	H12	175.2°	174.3°
C7	C6	C5	H3	72.5°	74.7°
C6	C9	O4	H11	120.1°	120.0°
C6	C9	O4	H12	120.1°	120.0°
C9	C6	C7	H9	24.3°	96.7°
C9	C6	C7	H10	97.9°	25.4°
C6	C9	H11	H12	119.6°	120.0°
C9	C6	C5	H3	58.0°	50.2°
C6	C9	O4	H13	180.0°	180.0°
O4	C9	H11	H12	119.6°	120.0°
H2	C4	C3	H1	167.1°	171.6°
H2	C4	O6	H15	63.2°	60.1°
H2	C4	C5	H3	49.0°	51.8°
H11	C9	O4	H13	59.9°	60.0°
H12	C9	O4	H13	59.9°	60.0°
H4	C8	C3	H1	60.0°	66.9°
H5	C1	H7	H6	120.0°	120.0°
H8	N	C3	H1	148.6°	144.6°
H3	C5	O5	H14	61.7°	60.5°

Release date:	2017-06-14
Definition date:	2016-05-06
Last modified:	2017-06-09
Release status:	REL
Processing site:	RCSB
Derived from:	5JQ1