O3Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C6	doub	1.32Å	1.36Å	Aromatic
N1	C2	sing	1.32Å	1.36Å	Aromatic
O3P	P	doub	1.48Å	1.52Å
C6	C5	sing	1.38Å	1.41Å	Aromatic
O4P	P	sing	1.61Å	1.66Å
O4P	C5A	sing	1.43Å	1.37Å
C2A	C2	sing	1.51Å	1.47Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
P	O2P	sing	1.61Å	1.56Å
P	O1P	sing	1.61Å	1.57Å
C5	C5A	sing	1.51Å	1.48Å
C5	C4	doub	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.38Å	Aromatic
C3	O3	sing	1.36Å	1.35Å
C4	C4A	sing	1.51Å	1.55Å
C4A	N	sing	1.47Å	1.55Å
N	CA	sing	1.47Å	1.50Å
CA	CB	sing	1.53Å	1.49Å
CA	C	sing	1.51Å	1.52Å
CB	OG	sing	1.43Å	1.44Å
C	OXT	doub	1.21Å	1.20Å
C	O	sing	1.34Å	1.22Å
C6	H1	sing	1.08Å	1.08Å
O	H2	sing	0.97Å	0.95Å
CA	H3	sing	1.09Å	1.10Å
CB	H4	sing	1.09Å	1.10Å
CB	H5	sing	1.09Å	1.10Å
OG	H6	sing	0.97Å	0.95Å
N	H7	sing	1.01Å	1.00Å
C4A	H9	sing	1.09Å	1.10Å
C4A	H10	sing	1.09Å	1.10Å
O3	H11	sing	0.97Å	0.95Å
C2A	H12	sing	1.09Å	1.10Å
C2A	H13	sing	1.09Å	1.10Å
C2A	H14	sing	1.09Å	1.10Å
C5A	H15	sing	1.09Å	1.10Å
C5A	H16	sing	1.09Å	1.10Å
O1P	H17	sing	0.97Å	0.95Å
O2P	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N1	C2	119.0°	121.8°
N1	C6	C5	119.9°	120.9°
N1	C6	H1	120.0°	119.6°
N1	C2	C2A	120.0°	119.7°
N1	C2	C3	121.8°	120.6°
O3P	P	O4P	94.4°	109.5°
O3P	P	O2P	108.5°	109.5°
O3P	P	O1P	112.6°	109.5°
C6	C5	C5A	125.1°	120.4°
C6	C5	C4	121.1°	119.2°
C5	C6	H1	120.0°	119.5°
P	O4P	C5A	113.2°	123.0°
O4P	P	O2P	109.2°	109.4°
O4P	P	O1P	115.1°	109.4°
O4P	C5A	C5	118.7°	109.5°
O4P	C5A	H15	107.1°	109.4°
O4P	C5A	H16	107.1°	109.5°
C2A	C2	C3	118.1°	119.7°
C2	C2A	H12	109.5°	109.5°
C2	C2A	H13	109.5°	109.5°
C2	C2A	H14	109.5°	109.5°
C2	C3	C4	120.5°	119.1°
C2	C3	O3	121.6°	120.4°
O2P	P	O1P	115.1°	109.4°
P	O2P	H18	109.5°	114.0°
P	O1P	H17	109.5°	114.0°
C5A	C5	C4	113.7°	120.4°
C5	C5A	H15	107.1°	109.5°
C5	C5A	H16	107.1°	109.5°
C5	C4	C3	117.5°	118.4°
C5	C4	C4A	126.7°	120.8°
C4	C3	O3	117.9°	120.5°
C3	C4	C4A	115.4°	120.8°
C3	O3	H11	109.5°	114.0°
C4	C4A	N	100.9°	109.5°
C4	C4A	H9	111.6°	109.4°
C4	C4A	H10	111.5°	109.5°
C4A	N	CA	130.5°	111.0°
C4A	N	H7	104.0°	111.0°
N	C4A	H9	111.6°	109.5°
N	C4A	H10	111.6°	109.5°
N	CA	CB	116.8°	109.5°
N	CA	C	114.0°	109.5°
N	CA	H3	107.3°	109.5°
CA	N	H7	104.0°	111.0°
CB	CA	C	103.6°	109.5°
CA	CB	OG	113.5°	109.5°
CB	CA	H3	107.5°	109.5°
CA	CB	H4	108.5°	109.5°
CA	CB	H5	108.4°	109.5°
CA	C	OXT	115.3°	120.0°
CA	C	O	126.4°	120.0°
C	CA	H3	107.1°	109.5°
OG	CB	H4	108.5°	109.5°
OG	CB	H5	108.4°	109.5°
CB	OG	H6	109.5°	114.0°
OXT	C	O	118.4°	120.0°
C	O	H2	109.5°	117.0°
H4	CB	H5	109.5°	109.4°
H9	C4A	H10	109.4°	109.4°
H12	C2A	H13	109.4°	109.4°
H12	C2A	H14	109.5°	109.5°
H13	C2A	H14	109.5°	109.5°
H15	C5A	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C6	C5	H1	180.0°	180.0°
C6	N1	C2	C2A	179.1°	180.0°
C6	N1	C2	C3	2.3°	0.0°
N1	C6	C5	C5A	177.2°	180.0°
N1	C6	C5	C4	1.7°	0.5°
C2	N1	C6	C5	0.6°	0.3°
N1	C2	C2A	C3	176.9°	180.0°
N1	C2	C3	C4	1.5°	0.0°
N1	C2	C3	O3	179.4°	179.7°
C2	N1	C6	H1	179.3°	179.7°
N1	C2	C2A	H12	0.0°	90.0°
N1	C2	C2A	H13	120.0°	30.0°
N1	C2	C2A	H14	120.0°	150.0°
O3P	P	O4P	O2P	111.3°	120.0°
O3P	P	O4P	O1P	117.5°	120.1°
O3P	P	O4P	C5A	150.5°	55.0°
O3P	P	O2P	O1P	127.2°	120.1°
O3P	P	O1P	H17	0.0°	59.9°
O3P	P	O2P	H18	0.0°	180.0°
C6	C5	C5A	O4P	8.7°	0.0°
C6	C5	C5A	C4	179.0°	179.4°
C6	C5	C4	C3	2.4°	0.5°
C6	C5	C4	C4A	174.6°	179.4°
C6	C5	C5A	H15	130.0°	120.0°
C6	C5	C5A	H16	112.7°	120.0°
O4P	P	O2P	O1P	131.2°	119.9°
P	O4P	C5A	C5	173.6°	180.0°
P	O4P	C5A	H15	52.3°	60.0°
P	O4P	C5A	H16	65.1°	60.0°
O4P	P	O1P	H17	106.6°	179.9°
O4P	P	O2P	H18	101.6°	60.0°
C5A	O4P	P	O2P	98.2°	65.1°
C5A	O4P	P	O1P	33.0°	175.0°
O4P	C5A	C5	H15	121.3°	119.9°
O4P	C5A	C5	H16	121.3°	120.0°
O4P	C5A	C5	C4	172.3°	179.5°
O4P	C5A	H15	H16	115.8°	120.0°
C2A	C2	C3	C4	178.4°	180.0°
C2A	C2	C3	O3	2.5°	0.3°
C2	C2A	H12	H13	120.0°	120.0°
C2	C2A	H12	H14	120.0°	120.0°
C2	C2A	H13	H14	120.0°	120.0°
C2	C3	C4	C5	0.9°	0.2°
C2	C3	C4	O3	179.1°	179.7°
C2	C3	C4	C4A	173.9°	179.7°
C2	C3	O3	H11	180.0°	90.3°
C3	C2	C2A	H12	177.0°	90.0°
C3	C2	C2A	H13	57.0°	150.0°
C3	C2	C2A	H14	63.0°	30.0°
O2P	P	O1P	H17	125.0°	60.1°
O1P	P	O2P	H18	127.2°	59.9°
C5A	C5	C4	C3	176.6°	179.9°
C5A	C5	C4	C4A	4.5°	0.0°
C5A	C5	C6	H1	2.8°	0.0°
C5	C5A	H15	H16	115.8°	120.1°
C5	C4	C3	C4A	173.1°	179.9°
C5	C4	C3	O3	178.3°	180.0°
C5	C4	C4A	N	100.5°	89.9°
C4	C5	C6	H1	178.3°	179.4°
C5	C4	C4A	H9	140.9°	30.1°
C5	C4	C4A	H10	18.1°	150.0°
C4	C5	C5A	H15	51.0°	60.6°
C4	C5	C5A	H16	66.4°	59.4°
C3	C4	C4A	N	71.8°	90.0°
C3	C4	C4A	H9	46.8°	150.0°
C3	C4	C4A	H10	169.6°	30.1°
C4	C3	O3	H11	0.9°	90.0°
O3	C3	C4	C4A	5.2°	0.0°
C4	C4A	N	H9	118.6°	120.0°
C4	C4A	N	H10	118.6°	120.0°
C4	C4A	N	CA	173.2°	180.0°
C4	C4A	N	H7	64.1°	56.0°
C4	C4A	H9	H10	123.9°	120.0°
C4A	N	CA	H7	122.7°	124.0°
C4A	N	CA	CB	49.6°	85.0°
C4A	N	CA	C	71.3°	155.0°
C4A	N	CA	H3	170.2°	35.0°
N	C4A	H9	H10	124.0°	120.0°
N	CA	CB	C	126.3°	120.0°
N	CA	CB	H3	120.6°	120.0°
N	CA	C	H3	118.6°	120.0°
N	CA	CB	OG	46.3°	65.0°
N	CA	C	OXT	125.2°	0.1°
N	CA	C	O	56.0°	180.0°
N	CA	CB	H4	74.3°	55.0°
N	CA	CB	H5	166.9°	175.0°
CA	N	C4A	H9	54.6°	60.0°
CA	N	C4A	H10	68.2°	60.0°
CB	CA	C	H3	113.4°	120.0°
CA	CB	OG	H4	120.6°	120.0°
CA	CB	OG	H5	120.6°	120.0°
CB	CA	C	OXT	106.8°	119.9°
CB	CA	C	O	72.0°	60.0°
CA	CB	H4	H5	118.2°	120.0°
CA	CB	OG	H6	180.0°	180.0°
CB	CA	N	H7	73.1°	151.0°
C	CA	CB	OG	80.0°	55.0°
CA	C	OXT	O	178.9°	179.9°
CA	C	O	H2	178.8°	180.0°
C	CA	CB	H4	159.4°	175.0°
C	CA	CB	H5	40.6°	65.0°
C	CA	N	H7	165.9°	31.0°
OG	CB	CA	H3	166.9°	175.0°
OG	CB	H4	H5	118.2°	120.0°
OXT	C	O	H2	0.0°	0.1°
OXT	C	CA	H3	6.6°	120.0°
O	C	CA	H3	174.6°	60.1°
H3	CA	CB	H4	46.3°	65.0°
H3	CA	CB	H5	72.5°	55.0°
H3	CA	N	H7	47.5°	89.0°
H4	CB	OG	H6	59.4°	60.0°
H5	CB	OG	H6	59.4°	59.9°
H7	N	C4A	H9	177.3°	176.0°
H7	N	C4A	H10	54.5°	64.0°
H12	C2A	H13	H14	120.0°	120.0°

Release date:	2020-04-15
Definition date:	2020-01-28
Last modified:	2020-04-10
Release status:	REL
Processing site:	PDBE
Derived from:	6TI4