LKA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	S5	sing	1.82Å	1.82Å
C5	C4	sing	1.53Å	1.66Å
C5	C6	sing	1.53Å	1.23Å
C5	H5	sing	1.09Å	1.12Å
S5	C1	sing	1.81Å	1.83Å
C1	N1	sing	1.47Å	1.26Å
C1	C2	sing	1.53Å	1.63Å
C1	H1	sing	1.09Å	1.11Å
N1	HN11	sing	1.01Å	1.02Å
N1	HN12	sing	1.01Å	1.02Å
C2	O2	sing	1.43Å	1.24Å
C2	C3	sing	1.53Å	1.65Å
C2	H2	sing	1.09Å	1.12Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.49Å
C3	C4	sing	1.53Å	1.41Å
C3	H3	sing	1.09Å	1.12Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.44Å
C4	H4	sing	1.09Å	1.12Å
O4	HO4	sing	0.97Å	0.95Å
C6	O6	sing	1.43Å	1.32Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S5	C5	C4	106.6°	109.3°
S5	C5	C6	101.2°	109.5°
S5	C5	H5	120.4°	109.5°
C5	S5	C1	106.6°	99.6°
C4	C5	C6	119.4°	109.5°
C4	C5	H5	102.6°	109.6°
C5	C4	C3	120.8°	110.0°
C5	C4	O4	98.4°	109.4°
C5	C4	H4	113.7°	109.4°
C6	C5	H5	107.8°	109.5°
C5	C6	O6	125.8°	109.5°
C5	C6	H61	106.5°	109.5°
C5	C6	H62	106.5°	109.5°
S5	C1	N1	116.0°	109.5°
S5	C1	C2	111.3°	109.3°
S5	C1	H1	102.3°	109.5°
N1	C1	C2	105.5°	109.5°
N1	C1	H1	108.5°	109.5°
C1	N1	HN11	109.8°	106.7°
C1	N1	HN12	116.0°	106.7°
C2	C1	H1	113.4°	109.5°
C1	C2	O2	120.4°	109.2°
C1	C2	C3	107.3°	110.0°
C1	C2	H2	105.6°	109.5°
HN11	N1	HN12	109.8°	106.8°
O2	C2	C3	115.1°	109.4°
O2	C2	H2	95.4°	109.4°
C2	O2	HO2	120.3°	106.8°
C3	C2	H2	112.1°	109.4°
C2	C3	O3	105.7°	109.2°
C2	C3	C4	118.8°	110.5°
C2	C3	H3	104.9°	109.2°
O3	C3	C4	106.4°	109.3°
O3	C3	H3	117.6°	109.3°
C3	O3	HO3	105.7°	106.8°
C4	C3	H3	104.2°	109.3°
C3	C4	O4	118.7°	109.3°
C3	C4	H4	90.4°	109.4°
O4	C4	H4	116.1°	109.4°
C4	O4	HO4	98.4°	106.8°
O6	C6	H61	106.5°	109.4°
O6	C6	H62	106.4°	109.4°
C6	O6	HO6	125.8°	106.8°
H61	C6	H62	103.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S5	C5	C4	C6	113.6°	120.0°
S5	C5	C4	H5	127.4°	120.0°
S5	C5	C6	H5	127.2°	120.1°
C5	S5	C1	N1	179.2°	63.8°
C5	S5	C1	C2	58.5°	56.2°
C5	S5	C1	H1	63.0°	176.1°
S5	C5	C4	C3	47.1°	64.8°
S5	C5	C4	O4	177.9°	175.2°
S5	C5	C4	H4	58.7°	55.4°
S5	C5	C6	O6	62.2°	65.0°
S5	C5	C6	H61	63.1°	55.0°
S5	C5	C6	H62	172.6°	175.0°
C4	C5	C6	H5	116.3°	120.1°
C4	C5	S5	C1	9.5°	56.2°
C5	C4	C3	C2	57.0°	68.7°
C5	C4	C3	O3	175.9°	171.1°
C5	C4	C3	O4	121.3°	120.1°
C5	C4	C3	H4	118.3°	120.2°
C5	C4	C3	H3	59.2°	51.5°
C5	C4	O4	H4	121.7°	119.8°
C5	C4	O4	HO4	180.0°	180.0°
C4	C5	C6	O6	178.6°	54.8°
C4	C5	C6	H61	53.3°	174.8°
C4	C5	C6	H62	56.2°	65.2°
C6	C5	S5	C1	116.0°	176.1°
C6	C5	C4	C3	160.7°	175.3°
C6	C5	C4	O4	68.5°	55.3°
C6	C5	C4	H4	54.9°	64.6°
C5	C6	O6	H61	125.3°	120.0°
C5	C6	O6	H62	125.2°	120.1°
C5	C6	H61	H62	111.9°	120.1°
C5	C6	O6	HO6	180.0°	180.0°
H5	C5	S5	C1	125.5°	63.8°
H5	C5	C4	C3	80.3°	55.2°
H5	C5	C4	O4	50.5°	64.8°
H5	C5	C4	H4	173.9°	175.3°
H5	C5	C6	O6	65.1°	175.0°
H5	C5	C6	H61	169.7°	65.1°
H5	C5	C6	H62	60.2°	54.9°
S5	C1	N1	C2	123.7°	119.9°
S5	C1	N1	H1	114.4°	120.1°
S5	C1	C2	H1	114.8°	120.0°
S5	C1	N1	HN11	54.7°	60.0°
S5	C1	N1	HN12	180.0°	173.9°
S5	C1	C2	O2	170.9°	55.3°
S5	C1	C2	C3	54.9°	64.7°
S5	C1	C2	H2	64.8°	175.1°
N1	C1	C2	H1	118.6°	120.0°
C1	N1	HN11	HN12	128.7°	113.8°
N1	C1	C2	O2	44.2°	175.3°
N1	C1	C2	C3	178.5°	55.3°
N1	C1	C2	H2	61.8°	64.9°
C2	C1	N1	HN11	178.4°	179.9°
C2	C1	N1	HN12	56.3°	66.2°
C1	C2	O2	C3	130.9°	120.4°
C1	C2	O2	H2	111.6°	119.8°
C1	C2	C3	H2	115.4°	120.3°
C1	C2	O2	HO2	180.0°	59.6°
C1	C2	C3	O3	119.0°	171.1°
C1	C2	C3	C4	0.3°	68.6°
C1	C2	C3	H3	116.1°	51.6°
H1	C1	N1	HN11	59.7°	60.0°
H1	C1	N1	HN12	65.6°	53.8°
H1	C1	C2	O2	74.4°	64.7°
H1	C1	C2	C3	59.9°	175.3°
H1	C1	C2	H2	179.6°	55.1°
O2	C2	C3	H2	107.6°	119.8°
O2	C2	C3	O3	17.9°	68.9°
O2	C2	C3	C4	137.2°	51.3°
O2	C2	C3	H3	107.0°	171.5°
C3	C2	O2	HO2	49.1°	180.0°
C2	C3	O3	C4	127.2°	121.0°
C2	C3	O3	H3	116.6°	119.5°
C2	C3	C4	H3	116.2°	120.2°
C2	C3	O3	HO3	180.0°	59.0°
C2	C3	C4	O4	178.3°	171.2°
C2	C3	C4	H4	61.3°	51.4°
H2	C2	O2	HO2	68.4°	60.2°
H2	C2	C3	O3	125.6°	50.8°
H2	C2	C3	C4	115.2°	171.1°
H2	C2	C3	H3	0.6°	68.7°
O3	C3	C4	H3	124.9°	119.6°
O3	C3	C4	O4	62.7°	51.0°
O3	C3	C4	H4	57.6°	68.8°
C4	C3	O3	HO3	52.8°	180.0°
C3	C4	O4	H4	106.2°	119.7°
C3	C4	O4	HO4	47.8°	59.5°
H3	C3	O3	HO3	63.4°	60.5°
H3	C3	C4	O4	62.1°	68.6°
H3	C3	C4	H4	177.5°	171.6°
H4	C4	O4	HO4	58.3°	60.2°
O6	C6	H61	H62	111.8°	119.9°
H61	C6	O6	HO6	54.8°	60.0°
H62	C6	O6	HO6	54.7°	59.9°

Definition date:	2003-10-07
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	1R33