PLS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.50Å
N	C4A	sing	1.47Å	1.34Å
N	HN	sing	1.01Å	1.02Å
CA	CB	sing	1.53Å	1.49Å
CA	C	sing	1.51Å	1.61Å
CA	HA	sing	1.09Å	1.12Å
CB	OG	sing	1.43Å	1.43Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.11Å
OG	HOG	sing	0.97Å	0.95Å
C	O	doub	1.21Å	1.22Å
C	OXT	sing	1.34Å	1.26Å
OXT	HXT	sing	0.97Å	0.95Å
N1	C2	doub	1.32Å	1.40Å	Aromatic
N1	C6	sing	1.32Å	1.39Å	Aromatic
C2	C2A	sing	1.51Å	1.49Å
C2	C3	sing	1.39Å	1.49Å	Aromatic
C2A	H2A1	sing	1.09Å	1.11Å
C2A	H2A2	sing	1.09Å	1.11Å
C2A	H2A3	sing	1.09Å	1.12Å
C3	O3	sing	1.36Å	1.35Å
C3	C4	doub	1.39Å	1.53Å	Aromatic
O3	HO3	sing	0.97Å	0.95Å
C4	C4A	sing	1.51Å	1.53Å
C4	C5	sing	1.38Å	1.43Å	Aromatic
C4A	H4A1	sing	1.09Å	1.11Å
C4A	H4A2	sing	1.09Å	1.12Å
C5	C6	doub	1.38Å	1.45Å	Aromatic
C5	C5A	sing	1.51Å	1.53Å
C6	H6	sing	1.08Å	1.10Å
C5A	O4P	sing	1.43Å	1.44Å
C5A	H5A1	sing	1.09Å	1.11Å
C5A	H5A2	sing	1.09Å	1.11Å
O4P	P	sing	1.61Å	1.41Å
P	O1P	doub	1.48Å	1.50Å
P	O2P	sing	1.61Å	1.43Å
P	O3P	sing	1.61Å	1.40Å
O2P	HOP2	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	C4A	130.4°	106.7°
CA	N	HN	105.0°	106.7°
N	CA	CB	114.2°	109.5°
N	CA	C	113.1°	109.5°
N	CA	HA	103.3°	109.5°
C4A	N	HN	104.9°	106.7°
N	C4A	C4	135.4°	109.4°
N	C4A	H4A1	103.3°	109.4°
N	C4A	H4A2	103.3°	109.5°
CB	CA	C	109.0°	109.5°
CB	CA	HA	107.9°	109.5°
CA	CB	OG	118.2°	109.5°
CA	CB	HB1	109.0°	109.5°
CA	CB	HB2	109.0°	109.5°
C	CA	HA	109.0°	109.4°
CA	C	O	120.8°	120.0°
CA	C	OXT	121.9°	120.0°
OG	CB	HB1	109.1°	109.5°
OG	CB	HB2	109.0°	109.5°
CB	OG	HOG	118.2°	106.8°
HB1	CB	HB2	101.1°	109.4°
O	C	OXT	116.9°	120.0°
C	OXT	HXT	121.9°	120.1°
C2	N1	C6	125.9°	121.8°
N1	C2	C2A	119.9°	119.7°
N1	C2	C3	117.9°	120.7°
N1	C6	C5	119.2°	120.9°
N1	C6	H6	118.3°	119.6°
C2A	C2	C3	122.1°	119.6°
C2	C2A	H2A1	119.9°	109.5°
C2	C2A	H2A2	108.5°	109.5°
C2	C2A	H2A3	108.5°	109.5°
C2	C3	O3	125.6°	120.5°
C2	C3	C4	116.9°	119.0°
H2A1	C2A	H2A2	108.5°	109.5°
H2A1	C2A	H2A3	108.5°	109.4°
H2A2	C2A	H2A3	101.5°	109.5°
O3	C3	C4	116.8°	120.5°
C3	O3	HO3	125.6°	106.8°
C3	C4	C4A	124.2°	120.8°
C3	C4	C5	120.0°	118.4°
C4A	C4	C5	115.7°	120.9°
C4	C4A	H4A1	103.3°	109.5°
C4	C4A	H4A2	103.3°	109.4°
C4	C5	C6	119.8°	119.2°
C4	C5	C5A	120.3°	120.4°
H4A1	C4A	H4A2	105.2°	109.5°
C6	C5	C5A	119.6°	120.4°
C5	C6	H6	122.5°	119.5°
C5	C5A	O4P	115.7°	109.5°
C5	C5A	H5A1	109.9°	109.5°
C5	C5A	H5A2	110.0°	109.5°
O4P	C5A	H5A1	109.9°	109.5°
O4P	C5A	H5A2	109.9°	109.4°
C5A	O4P	P	127.9°	106.9°
H5A1	C5A	H5A2	100.4°	109.4°
O4P	P	O1P	103.6°	109.4°
O4P	P	O2P	102.3°	109.5°
O4P	P	O3P	129.9°	109.5°
O1P	P	O2P	108.1°	109.4°
O1P	P	O3P	103.8°	109.4°
O2P	P	O3P	107.9°	109.5°
P	O2P	HOP2	102.3°	106.8°
P	O3P	HOP3	129.9°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	C4A	HN	125.3°	113.8°
N	CA	CB	C	127.6°	120.0°
N	CA	CB	HA	114.2°	120.0°
N	CA	C	HA	114.3°	119.9°
N	CA	CB	OG	120.9°	180.0°
N	CA	CB	HB1	4.4°	60.0°
N	CA	CB	HB2	113.9°	60.0°
N	CA	C	O	7.3°	150.0°
N	CA	C	OXT	179.4°	30.0°
CA	N	C4A	C4	173.9°	180.0°
CA	N	C4A	H4A1	60.8°	60.0°
CA	N	C4A	H4A2	48.7°	60.0°
C4A	N	CA	CB	108.2°	150.0°
C4A	N	CA	C	126.3°	90.0°
C4A	N	CA	HA	8.6°	29.9°
N	C4A	C4	C3	16.1°	89.8°
N	C4A	C4	H4A1	125.3°	120.0°
N	C4A	C4	H4A2	125.2°	120.0°
N	C4A	C4	C5	167.7°	90.0°
N	C4A	H4A1	H4A2	108.1°	120.0°
HN	N	CA	CB	17.0°	36.2°
HN	N	CA	C	108.4°	156.2°
HN	N	CA	HA	133.9°	83.8°
HN	N	C4A	C4	60.8°	66.2°
HN	N	C4A	H4A1	64.5°	173.8°
HN	N	C4A	H4A2	174.0°	53.8°
CB	CA	C	HA	117.6°	120.0°
CA	CB	OG	HB1	125.2°	120.0°
CA	CB	OG	HB2	125.2°	120.0°
CA	CB	HB1	HB2	114.8°	120.0°
CA	CB	OG	HOG	179.9°	180.0°
CB	CA	C	O	120.8°	90.0°
CB	CA	C	OXT	52.4°	90.1°
C	CA	CB	OG	111.5°	60.0°
C	CA	CB	HB1	123.2°	180.0°
C	CA	CB	HB2	13.7°	60.0°
CA	C	O	OXT	173.6°	179.9°
CA	C	OXT	HXT	180.0°	180.0°
HA	CA	CB	OG	6.7°	59.9°
HA	CA	CB	HB1	118.5°	60.1°
HA	CA	CB	HB2	132.0°	180.0°
HA	CA	C	O	121.6°	30.0°
HA	CA	C	OXT	65.1°	149.9°
OG	CB	HB1	HB2	114.8°	120.0°
HB1	CB	OG	HOG	54.8°	60.0°
HB2	CB	OG	HOG	54.7°	60.0°
O	C	OXT	HXT	6.5°	0.1°
N1	C2	C2A	C3	176.7°	179.7°
N1	C2	C2A	H2A1	180.0°	90.0°
N1	C2	C2A	H2A2	54.8°	150.0°
N1	C2	C2A	H2A3	54.8°	29.9°
N1	C2	C3	O3	172.9°	180.0°
N1	C2	C3	C4	3.3°	0.6°
C2	N1	C6	C5	3.2°	0.0°
C2	N1	C6	H6	176.8°	180.0°
C6	N1	C2	C2A	173.8°	180.0°
C6	N1	C2	C3	3.0°	0.3°
N1	C6	C5	C4	3.8°	0.0°
N1	C6	C5	H6	180.0°	180.0°
N1	C6	C5	C5A	178.2°	180.0°
C2	C2A	H2A1	H2A2	125.3°	120.0°
C2	C2A	H2A1	H2A3	125.2°	120.0°
C2	C2A	H2A2	H2A3	114.1°	120.0°
C2A	C2	C3	O3	3.8°	0.4°
C2A	C2	C3	C4	173.5°	179.8°
C3	C2	C2A	H2A1	3.3°	90.4°
C3	C2	C2A	H2A2	122.0°	29.7°
C3	C2	C2A	H2A3	128.5°	149.7°
C2	C3	O3	C4	169.7°	179.4°
C2	C3	O3	HO3	179.9°	90.6°
C2	C3	C4	C4A	179.9°	179.6°
C2	C3	C4	C5	4.1°	0.6°
H2A1	C2A	H2A2	H2A3	114.1°	119.9°
O3	C3	C4	C4A	9.3°	0.2°
O3	C3	C4	C5	174.7°	180.0°
C4	C3	O3	HO3	10.4°	90.0°
C3	C4	C4A	C5	176.2°	179.8°
C3	C4	C4A	H4A1	141.4°	30.2°
C3	C4	C4A	H4A2	109.1°	150.2°
C3	C4	C5	C6	4.4°	0.3°
C3	C4	C5	C5A	178.7°	179.7°
C4	C4A	H4A1	H4A2	108.1°	120.0°
C4A	C4	C5	C6	179.3°	179.9°
C4A	C4	C5	C5A	5.0°	0.1°
C5	C4	C4A	H4A1	42.5°	150.0°
C5	C4	C4A	H4A2	67.0°	30.0°
C4	C5	C6	C5A	174.4°	180.0°
C4	C5	C6	H6	176.3°	180.0°
C4	C5	C5A	O4P	85.4°	180.0°
C4	C5	C5A	H5A1	149.4°	59.9°
C4	C5	C5A	H5A2	39.8°	60.0°
C6	C5	C5A	O4P	100.2°	0.0°
C6	C5	C5A	H5A1	25.0°	120.1°
C6	C5	C5A	H5A2	134.6°	120.0°
C5A	C5	C6	H6	1.9°	0.0°
C5	C5A	O4P	H5A1	125.2°	120.1°
C5	C5A	O4P	H5A2	125.2°	120.0°
C5	C5A	H5A1	H5A2	115.8°	120.0°
C5	C5A	O4P	P	79.1°	180.0°
O4P	C5A	H5A1	H5A2	115.7°	119.9°
C5A	O4P	P	O1P	69.4°	60.1°
C5A	O4P	P	O2P	178.3°	180.0°
C5A	O4P	P	O3P	52.0°	59.9°
H5A1	C5A	O4P	P	46.1°	59.8°
H5A2	C5A	O4P	P	155.7°	60.0°
O4P	P	O1P	O2P	108.0°	120.0°
O4P	P	O1P	O3P	137.6°	120.0°
O4P	P	O2P	O3P	139.5°	120.1°
O4P	P	O2P	HOP2	180.0°	180.0°
O4P	P	O3P	HOP3	180.0°	60.1°
O1P	P	O2P	O3P	111.6°	120.0°
O1P	P	O2P	HOP2	71.1°	60.0°
O1P	P	O3P	HOP3	58.7°	180.0°
O2P	P	O3P	HOP3	55.8°	60.0°
O3P	P	O2P	HOP2	40.5°	59.9°

Definition date:	1999-07-08
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1BEU