PP3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.32Å	1.37Å	Aromatic
N1	C6	sing	1.32Å	1.36Å	Aromatic
C2	C2A	sing	1.51Å	1.52Å
C2	C3	sing	1.39Å	1.42Å	Aromatic
C2A	H2A1	sing	1.09Å	1.11Å
C2A	H2A2	sing	1.09Å	1.12Å
C2A	H2A3	sing	1.09Å	1.12Å
C3	O3	sing	1.36Å	1.36Å
C3	C4	doub	1.39Å	1.41Å	Aromatic
O3	HO3	sing	0.97Å	0.95Å
C4	C4A	sing	1.51Å	1.53Å
C4	C5	sing	1.38Å	1.44Å	Aromatic
C4A	N	sing	1.47Å	1.52Å
C4A	H4A1	sing	1.09Å	1.12Å
C4A	H4A2	sing	1.09Å	1.12Å
C5	C6	doub	1.38Å	1.38Å	Aromatic
C5	C5A	sing	1.51Å	1.53Å
C6	H6	sing	1.08Å	1.10Å
C5A	O4P	sing	1.43Å	1.38Å
C5A	H5A1	sing	1.09Å	1.12Å
C5A	H5A2	sing	1.09Å	1.11Å
O4P	P	sing	1.61Å	1.59Å
P	O1P	doub	1.48Å	1.43Å
P	O2P	sing	1.61Å	1.49Å
P	O3P	sing	1.61Å	1.50Å
O2P	HOP2	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å
N	CA	sing	1.47Å	1.49Å
N	HN2	sing	1.01Å	1.02Å
CA	C	sing	1.51Å	1.55Å
CA	CB	sing	1.53Å	1.52Å
CA	HA	sing	1.09Å	1.11Å
C	O	doub	1.21Å	1.36Å
C	OXT	sing	1.34Å	1.32Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.12Å
CB	HB3	sing	1.09Å	1.11Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	122.5°	121.8°
N1	C2	C2A	109.3°	119.7°
N1	C2	C3	118.2°	120.7°
N1	C6	C5	117.8°	120.9°
N1	C6	H6	120.4°	119.5°
C2A	C2	C3	132.5°	119.7°
C2	C2A	H2A1	109.2°	109.5°
C2	C2A	H2A2	112.3°	109.5°
C2	C2A	H2A3	112.2°	109.5°
C2	C3	O3	110.3°	120.5°
C2	C3	C4	123.6°	119.1°
H2A1	C2A	H2A2	112.4°	109.4°
H2A1	C2A	H2A3	112.3°	109.5°
H2A2	C2A	H2A3	98.2°	109.5°
O3	C3	C4	126.1°	120.4°
C3	O3	HO3	110.3°	106.8°
C3	C4	C4A	122.3°	120.8°
C3	C4	C5	111.9°	118.4°
C4A	C4	C5	125.8°	120.8°
C4	C4A	N	103.2°	109.5°
C4	C4A	H4A1	114.6°	109.5°
C4	C4A	H4A2	114.6°	109.5°
C4	C5	C6	126.0°	119.2°
C4	C5	C5A	123.1°	120.4°
N	C4A	H4A1	114.6°	109.4°
N	C4A	H4A2	114.6°	109.5°
C4A	N	CA	110.6°	106.8°
C4A	N	HN2	111.8°	106.7°
H4A1	C4A	H4A2	95.8°	109.5°
C6	C5	C5A	110.9°	120.4°
C5	C6	H6	121.8°	119.6°
C5	C5A	O4P	118.1°	109.5°
C5	C5A	H5A1	109.1°	109.4°
C5	C5A	H5A2	109.1°	109.5°
O4P	C5A	H5A1	109.1°	109.4°
O4P	C5A	H5A2	109.1°	109.5°
C5A	O4P	P	124.0°	106.8°
H5A1	C5A	H5A2	101.0°	109.5°
O4P	P	O1P	112.5°	109.5°
O4P	P	O2P	103.9°	109.5°
O4P	P	O3P	105.1°	109.4°
O1P	P	O2P	122.6°	109.5°
O1P	P	O3P	102.5°	109.4°
O2P	P	O3P	109.1°	109.4°
P	O2P	HOP2	103.9°	106.8°
P	O3P	HOP3	105.1°	106.8°
CA	N	HN2	111.8°	106.7°
N	CA	C	109.9°	109.6°
N	CA	CB	109.1°	109.5°
N	CA	HA	110.3°	109.4°
C	CA	CB	112.0°	109.4°
C	CA	HA	107.4°	109.4°
CA	C	O	111.5°	120.0°
CA	C	OXT	124.7°	120.0°
CB	CA	HA	108.2°	109.5°
CA	CB	HB1	109.2°	109.5°
CA	CB	HB2	112.4°	109.5°
CA	CB	HB3	112.4°	109.4°
O	C	OXT	123.7°	120.0°
C	OXT	HXT	124.8°	120.0°
HB1	CB	HB2	112.3°	109.5°
HB1	CB	HB3	112.3°	109.4°
HB2	CB	HB3	98.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	C2A	C3	179.8°	180.0°
N1	C2	C2A	H2A1	180.0°	90.0°
N1	C2	C2A	H2A2	54.7°	30.0°
N1	C2	C2A	H2A3	54.7°	150.0°
N1	C2	C3	O3	179.9°	180.0°
N1	C2	C3	C4	0.3°	0.0°
C2	N1	C6	C5	0.5°	0.2°
C2	N1	C6	H6	179.5°	180.0°
C6	N1	C2	C2A	179.8°	179.9°
C6	N1	C2	C3	0.0°	0.0°
N1	C6	C5	C4	0.8°	0.5°
N1	C6	C5	H6	180.0°	179.8°
N1	C6	C5	C5A	179.8°	179.9°
C2	C2A	H2A1	H2A2	125.3°	120.0°
C2	C2A	H2A1	H2A3	125.2°	120.0°
C2	C2A	H2A2	H2A3	118.1°	120.0°
C2A	C2	C3	O3	0.3°	0.0°
C2A	C2	C3	C4	180.0°	180.0°
C3	C2	C2A	H2A1	0.3°	90.0°
C3	C2	C2A	H2A2	125.1°	150.0°
C3	C2	C2A	H2A3	125.5°	30.0°
C2	C3	O3	C4	179.6°	179.9°
C2	C3	O3	HO3	180.0°	90.0°
C2	C3	C4	C4A	179.6°	180.0°
C2	C3	C4	C5	0.0°	0.4°
H2A1	C2A	H2A2	H2A3	118.3°	119.9°
O3	C3	C4	C4A	0.0°	0.1°
O3	C3	C4	C5	179.6°	179.7°
C4	C3	O3	HO3	0.3°	90.1°
C3	C4	C4A	C5	179.5°	179.6°
C3	C4	C4A	N	25.8°	90.1°
C3	C4	C4A	H4A1	99.5°	29.9°
C3	C4	C4A	H4A2	151.1°	150.0°
C3	C4	C5	C6	0.5°	0.6°
C3	C4	C5	C5A	179.8°	180.0°
C4	C4A	N	H4A1	125.3°	120.0°
C4	C4A	N	H4A2	125.3°	120.0°
C4	C4A	H4A1	H4A2	120.5°	120.1°
C4A	C4	C5	C6	179.9°	179.8°
C4A	C4	C5	C5A	0.6°	0.4°
C4	C4A	N	CA	175.6°	180.0°
C4	C4A	N	HN2	50.3°	66.2°
C5	C4	C4A	N	154.7°	90.3°
C5	C4	C4A	H4A1	80.0°	149.7°
C5	C4	C4A	H4A2	29.4°	29.7°
C4	C5	C6	C5A	179.4°	179.4°
C4	C5	C6	H6	179.2°	179.7°
C4	C5	C5A	O4P	27.5°	179.4°
C4	C5	C5A	H5A1	152.7°	60.7°
C4	C5	C5A	H5A2	97.8°	59.4°
N	C4A	H4A1	H4A2	120.5°	120.0°
C4A	N	CA	HN2	125.2°	113.8°
C4A	N	CA	C	179.4°	150.0°
C4A	N	CA	CB	56.2°	90.0°
C4A	N	CA	HA	62.4°	30.0°
H4A1	C4A	N	CA	50.3°	60.0°
H4A1	C4A	N	HN2	75.0°	173.8°
H4A2	C4A	N	CA	59.2°	60.0°
H4A2	C4A	N	HN2	175.6°	53.8°
C6	C5	C5A	O4P	153.1°	0.0°
C6	C5	C5A	H5A1	27.9°	119.9°
C6	C5	C5A	H5A2	81.6°	120.0°
C5A	C5	C6	H6	0.2°	0.2°
C5	C5A	O4P	H5A1	125.3°	119.9°
C5	C5A	O4P	H5A2	125.3°	120.0°
C5	C5A	H5A1	H5A2	114.9°	120.0°
C5	C5A	O4P	P	165.7°	180.0°
O4P	C5A	H5A1	H5A2	114.8°	120.1°
C5A	O4P	P	O1P	72.8°	59.9°
C5A	O4P	P	O2P	152.4°	180.0°
C5A	O4P	P	O3P	37.9°	60.0°
H5A1	C5A	O4P	P	40.5°	60.1°
H5A2	C5A	O4P	P	69.0°	60.0°
O4P	P	O1P	O2P	125.0°	120.1°
O4P	P	O1P	O3P	112.3°	119.9°
O4P	P	O2P	O3P	111.7°	119.9°
O4P	P	O2P	HOP2	180.0°	180.0°
O4P	P	O3P	HOP3	180.0°	60.1°
O1P	P	O2P	O3P	119.5°	120.0°
O1P	P	O2P	HOP2	51.2°	59.9°
O1P	P	O3P	HOP3	62.3°	179.9°
O2P	P	O3P	HOP3	69.1°	59.9°
O3P	P	O2P	HOP2	68.3°	60.0°
N	CA	C	CB	121.5°	120.0°
N	CA	C	HA	120.0°	120.0°
N	CA	CB	HA	120.0°	120.0°
N	CA	C	O	23.7°	0.0°
N	CA	C	OXT	155.8°	180.0°
N	CA	CB	HB1	180.0°	60.0°
N	CA	CB	HB2	54.7°	179.9°
N	CA	CB	HB3	54.7°	59.9°
HN2	N	CA	C	55.4°	36.1°
HN2	N	CA	CB	178.5°	156.2°
HN2	N	CA	HA	62.8°	83.9°
C	CA	CB	HA	118.1°	119.9°
CA	C	O	OXT	179.5°	180.0°
C	CA	CB	HB1	58.1°	60.1°
C	CA	CB	HB2	176.7°	60.0°
C	CA	CB	HB3	67.2°	180.0°
CA	C	OXT	HXT	180.0°	180.0°
CB	CA	C	O	145.2°	120.0°
CB	CA	C	OXT	34.3°	60.0°
CA	CB	HB1	HB2	125.3°	120.1°
CA	CB	HB1	HB3	125.4°	120.0°
CA	CB	HB2	HB3	118.3°	120.0°
HA	CA	C	O	96.2°	120.0°
HA	CA	C	OXT	84.2°	60.0°
HA	CA	CB	HB1	60.0°	180.0°
HA	CA	CB	HB2	65.2°	59.9°
HA	CA	CB	HB3	174.7°	60.0°
O	C	OXT	HXT	0.5°	0.0°
HB1	CB	HB2	HB3	118.2°	120.0°

Definition date:	1999-08-12
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Replaces:	PDL
Derived from:	1C9C