PLW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.51Å
C	OXT	sing	1.34Å	1.35Å
C1	C2	sing	1.53Å	1.52Å
C1	N3	sing	1.46Å	1.48Å
N3	C4	sing	1.35Å	1.32Å	Aromatic
N3	N1	sing	1.29Å	1.40Å	Aromatic
C4	C3	doub	1.35Å	1.39Å	Aromatic
C4	CA	sing	1.51Å	1.48Å
C3	N2	sing	1.34Å	1.36Å	Aromatic
N2	N1	doub	1.29Å	1.41Å	Aromatic
CA	N	sing	1.47Å	1.46Å
CA	C6	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.52Å
C6	C8	sing	1.53Å	1.52Å
C8	C9	sing	1.53Å	1.51Å
C1	H1	sing	1.09Å	1.10Å
OXT	HXT	sing	0.97Å	0.95Å
C2	H21C	sing	1.09Å	1.10Å
C2	H22C	sing	1.09Å	1.10Å
C2	H23C	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
CA	HA	sing	1.09Å	1.10Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
C6	H6	sing	1.09Å	1.10Å
C7	H71C	sing	1.09Å	1.10Å
C7	H72C	sing	1.09Å	1.10Å
C7	H73C	sing	1.09Å	1.10Å
C8	H81C	sing	1.09Å	1.10Å
C8	H82C	sing	1.09Å	1.10Å
C9	H91C	sing	1.09Å	1.10Å
C9	H92C	sing	1.09Å	1.10Å
C9	H93C	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	119.3°	120.0°
O	C	OXT	121.0°	120.0°
C1	C	OXT	119.6°	120.0°
C	C1	C2	110.9°	109.4°
C	C1	N3	107.1°	109.5°
C	C1	H1	109.5°	109.5°
C	OXT	HXT	109.5°	117.0°
C2	C1	N3	109.7°	109.5°
C2	C1	H1	109.4°	109.5°
C1	C2	H21C	109.5°	109.5°
C1	C2	H22C	109.5°	109.5°
C1	C2	H23C	109.5°	109.4°
C1	N3	C4	132.9°	125.9°
C1	N3	N1	117.5°	125.9°
N3	C1	H1	110.0°	109.5°
C4	N3	N1	109.6°	108.2°
N3	C4	C3	109.8°	106.2°
N3	C4	CA	132.2°	126.9°
N3	N1	N2	104.7°	110.2°
C3	C4	CA	118.0°	126.9°
C4	C3	N2	106.5°	106.5°
C4	C3	H3	126.8°	126.8°
C4	CA	N	108.3°	109.5°
C4	CA	C6	109.9°	109.4°
C4	CA	HA	108.6°	109.5°
C3	N2	N1	109.4°	108.9°
N2	C3	H3	126.8°	126.7°
N	CA	C6	113.1°	109.4°
N	CA	HA	108.9°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
CA	C6	C7	110.0°	109.4°
CA	C6	C8	111.8°	109.5°
C6	CA	HA	108.0°	109.5°
CA	C6	H6	108.4°	109.5°
C7	C6	C8	109.9°	109.5°
C7	C6	H6	108.4°	109.5°
C6	C7	H71C	109.5°	109.4°
C6	C7	H72C	109.5°	109.5°
C6	C7	H73C	109.5°	109.5°
C6	C8	C9	110.0°	109.5°
C8	C6	H6	108.4°	109.5°
C6	C8	H81C	109.4°	109.5°
C6	C8	H82C	109.3°	109.5°
C9	C8	H81C	109.3°	109.4°
C9	C8	H82C	109.3°	109.5°
C8	C9	H91C	109.5°	109.4°
C8	C9	H92C	109.5°	109.5°
C8	C9	H93C	109.5°	109.5°
H21C	C2	H22C	109.5°	109.5°
H21C	C2	H23C	109.5°	109.5°
H22C	C2	H23C	109.4°	109.5°
H	N	H2	109.5°	111.0°
H71C	C7	H72C	109.5°	109.5°
H71C	C7	H73C	109.4°	109.5°
H72C	C7	H73C	109.5°	109.5°
H81C	C8	H82C	109.5°	109.5°
H91C	C9	H92C	109.5°	109.5°
H91C	C9	H93C	109.5°	109.5°
H92C	C9	H93C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	OXT	178.7°	179.8°
O	C	C1	C2	88.0°	120.0°
O	C	C1	N3	31.7°	0.1°
O	C	C1	H1	151.1°	119.9°
O	C	OXT	HXT	0.0°	0.1°
C	C1	C2	N3	118.2°	120.0°
C	C1	C2	H1	121.0°	120.0°
C	C1	N3	H1	119.0°	120.0°
C	C1	N3	C4	86.5°	120.0°
C	C1	N3	N1	91.9°	59.7°
C1	C	OXT	HXT	178.6°	179.7°
C	C1	C2	H21C	180.0°	60.0°
C	C1	C2	H22C	60.0°	60.0°
C	C1	C2	H23C	60.0°	180.0°
OXT	C	C1	C2	93.3°	59.8°
OXT	C	C1	N3	146.9°	179.8°
OXT	C	C1	H1	27.6°	60.2°
C2	C1	N3	H1	120.5°	120.0°
C2	C1	N3	C4	153.0°	120.0°
C2	C1	N3	N1	28.6°	60.3°
C1	C2	H21C	H22C	120.0°	120.0°
C1	C2	H21C	H23C	120.0°	120.0°
C1	C2	H22C	H23C	120.0°	119.9°
C1	N3	C4	N1	178.5°	179.7°
C1	N3	C4	C3	178.8°	180.0°
C1	N3	C4	CA	1.1°	0.0°
C1	N3	N1	N2	179.0°	179.8°
N3	C1	C2	H21C	61.8°	60.0°
N3	C1	C2	H22C	58.2°	180.0°
N3	C1	C2	H23C	178.1°	60.0°
N3	C4	C3	CA	179.9°	180.0°
N3	C4	C3	N2	0.3°	0.0°
C4	N3	N1	N2	0.2°	0.4°
N3	C4	CA	N	103.0°	145.0°
N3	C4	CA	C6	133.0°	95.0°
C4	N3	C1	H1	32.6°	0.0°
N3	C4	C3	H3	179.7°	180.0°
N3	C4	CA	HA	15.1°	25.0°
N1	N3	C4	C3	0.3°	0.3°
N1	N3	C4	CA	179.6°	179.7°
N3	N1	N2	C3	0.0°	0.5°
N1	N3	C1	H1	149.0°	179.7°
C4	C3	N2	H3	180.0°	179.9°
C4	C3	N2	N1	0.2°	0.3°
C3	C4	CA	N	76.9°	35.0°
C3	C4	CA	C6	47.1°	85.0°
C3	C4	CA	HA	165.0°	155.0°
CA	C4	C3	N2	179.6°	180.0°
C4	CA	N	C6	122.1°	120.0°
C4	CA	N	HA	117.9°	120.1°
C4	CA	C6	HA	118.3°	120.0°
C4	CA	C6	C7	57.2°	60.0°
C4	CA	C6	C8	179.5°	180.0°
CA	C4	C3	H3	0.3°	0.0°
C4	CA	N	H	180.0°	64.0°
C4	CA	N	H2	60.0°	59.9°
C4	CA	C6	H6	61.1°	60.0°
N1	N2	C3	H3	179.9°	179.8°
N	CA	C6	HA	120.5°	120.0°
N	CA	C6	C7	178.4°	180.0°
N	CA	C6	C8	59.3°	60.0°
CA	N	H	H2	120.0°	123.9°
N	CA	C6	H6	60.1°	60.0°
CA	C6	C7	C8	123.5°	120.0°
CA	C6	C7	H6	118.3°	120.0°
CA	C6	C8	H6	119.3°	120.0°
CA	C6	C8	C9	42.9°	175.0°
C6	CA	N	H	57.9°	176.1°
C6	CA	N	H2	177.9°	60.0°
CA	C6	C7	H71C	180.0°	180.0°
CA	C6	C7	H72C	60.0°	60.0°
CA	C6	C7	H73C	60.0°	60.0°
CA	C6	C8	H81C	77.2°	65.0°
CA	C6	C8	H82C	163.0°	55.0°
C7	C6	C8	H6	118.3°	120.0°
C7	C6	C8	C9	79.5°	65.0°
C7	C6	CA	HA	61.1°	60.0°
C6	C7	H71C	H72C	120.0°	120.0°
C6	C7	H71C	H73C	120.0°	120.0°
C6	C7	H72C	H73C	120.0°	120.0°
C7	C6	C8	H81C	160.4°	54.9°
C7	C6	C8	H82C	40.6°	175.0°
C6	C8	C9	H81C	120.1°	120.0°
C6	C8	C9	H82C	120.1°	120.0°
C8	C6	CA	HA	61.2°	60.0°
C8	C6	C7	H71C	56.5°	60.0°
C8	C6	C7	H72C	176.6°	180.0°
C8	C6	C7	H73C	63.4°	60.0°
C6	C8	H81C	H82C	119.8°	120.0°
C6	C8	C9	H91C	180.0°	60.0°
C6	C8	C9	H92C	60.0°	60.0°
C6	C8	C9	H93C	60.0°	180.0°
C9	C8	C6	H6	162.3°	55.0°
C9	C8	H81C	H82C	119.8°	120.0°
C8	C9	H91C	H92C	120.0°	120.0°
C8	C9	H91C	H93C	120.0°	120.0°
C8	C9	H92C	H93C	120.0°	120.0°
H1	C1	C2	H21C	59.0°	180.0°
H1	C1	C2	H22C	179.0°	60.0°
H1	C1	C2	H23C	61.0°	60.0°
H21C	C2	H22C	H23C	120.0°	120.1°
HA	CA	N	H	62.1°	56.1°
HA	CA	N	H2	57.9°	180.0°
HA	CA	C6	H6	179.4°	180.0°
H6	C6	C7	H71C	61.7°	60.0°
H6	C6	C7	H72C	58.3°	60.0°
H6	C6	C7	H73C	178.3°	180.0°
H6	C6	C8	H81C	42.2°	175.0°
H6	C6	C8	H82C	77.7°	65.0°
H71C	C7	H72C	H73C	119.9°	120.0°
H81C	C8	C9	H91C	59.9°	180.0°
H81C	C8	C9	H92C	179.9°	60.0°
H81C	C8	C9	H93C	60.1°	60.0°
H82C	C8	C9	H91C	59.9°	60.0°
H82C	C8	C9	H92C	60.1°	NaN°
H82C	C8	C9	H93C	179.9°	60.0°
H91C	C9	H92C	H93C	120.0°	120.0°

Definition date:	2011-12-08
Last modified:	2023-11-03
Release status:	REL
Processing site:	EBI
Derived from:	4ABJ