LPU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	S1	doub	1.42Å	1.42Å
C6	N1	sing	1.47Å	1.47Å
C6	C5	sing	1.53Å	1.52Å
S1	N1	sing	1.66Å	1.63Å
S1	O1	doub	1.42Å	1.43Å
S1	C1	sing	1.81Å	1.75Å
N1	C2	sing	1.47Å	1.47Å
C5	C4	sing	1.53Å	1.52Å
O3	C4	sing	1.43Å	1.42Å
C4	C3	sing	1.53Å	1.52Å
C2	C3	sing	1.53Å	1.52Å
C4	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
O3	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	S1	N1	106.7°	104.3°
O2	S1	O1	118.7°	121.0°
O2	S1	C1	108.4°	110.6°
N1	C6	C5	111.7°	108.7°
C6	N1	S1	119.4°	120.7°
C6	N1	C2	117.2°	118.7°
N1	C6	H4	108.9°	109.6°
N1	C6	H5	108.9°	109.6°
C6	C5	C4	113.2°	109.3°
C6	C5	H2	108.5°	109.6°
C6	C5	H3	108.5°	109.5°
C5	C6	H4	108.9°	109.6°
C5	C6	H5	108.9°	109.6°
N1	S1	O1	106.9°	104.3°
N1	S1	C1	107.1°	104.4°
S1	N1	C2	119.3°	120.6°
O1	S1	C1	108.6°	110.5°
S1	C1	H6	109.5°	109.5°
S1	C1	H7	109.5°	109.4°
S1	C1	H8	109.5°	109.5°
N1	C2	C3	110.6°	108.8°
N1	C2	H9	109.2°	109.6°
N1	C2	H10	109.2°	109.6°
C5	C4	O3	111.7°	109.4°
C5	C4	C3	112.8°	109.5°
C5	C4	H1	106.6°	109.4°
C4	C5	H2	108.6°	109.5°
C4	C5	H3	108.5°	109.5°
O3	C4	C3	110.8°	109.5°
O3	C4	H1	107.9°	109.5°
C4	O3	H13	109.5°	114.0°
C4	C3	C2	111.1°	109.3°
C3	C4	H1	106.7°	109.5°
C4	C3	H11	109.0°	109.5°
C4	C3	H12	109.1°	109.5°
C3	C2	H9	109.2°	109.6°
C3	C2	H10	109.2°	109.6°
C2	C3	H11	109.1°	109.5°
C2	C3	H12	109.0°	109.5°
H2	C5	H3	109.5°	109.4°
H4	C6	H5	109.4°	109.7°
H6	C1	H7	109.5°	109.5°
H6	C1	H8	109.4°	109.5°
H7	C1	H8	109.5°	109.5°
H9	C2	H10	109.5°	109.6°
H11	C3	H12	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	S1	N1	C6	27.2°	153.6°
O2	S1	N1	O1	127.9°	127.9°
O2	S1	N1	C1	115.9°	116.1°
O2	S1	O1	C1	124.3°	131.5°
O2	S1	N1	C2	176.2°	26.1°
O2	S1	C1	H6	180.0°	171.6°
O2	S1	C1	H7	60.0°	68.4°
O2	S1	C1	H8	60.0°	51.6°
N1	C6	C5	H4	120.4°	119.8°
N1	C6	C5	H5	120.4°	119.7°
C6	N1	S1	C2	156.6°	179.7°
C6	N1	S1	O1	155.1°	25.7°
C6	N1	S1	C1	88.7°	90.3°
N1	C6	C5	C4	54.3°	54.7°
C6	N1	C2	C3	23.1°	53.7°
N1	C6	C5	H2	66.3°	65.3°
N1	C6	C5	H3	174.8°	174.7°
N1	C6	H4	H5	119.0°	120.4°
C6	N1	C2	H9	143.3°	173.5°
C6	N1	C2	H10	97.1°	66.2°
C5	C6	N1	S1	124.1°	126.7°
C5	C6	N1	C2	33.0°	53.6°
C6	C5	C4	H2	120.6°	120.0°
C6	C5	C4	H3	120.6°	120.0°
C6	C5	C4	O3	108.8°	178.6°
C6	C5	C4	C3	16.7°	61.4°
C6	C5	C4	H1	133.5°	58.6°
C6	C5	H2	H3	118.3°	120.1°
C5	C6	H4	H5	119.0°	120.4°
N1	S1	O1	C1	115.2°	111.7°
S1	N1	C2	C3	179.8°	126.7°
S1	N1	C6	H4	3.7°	113.5°
S1	N1	C6	H5	115.6°	6.9°
N1	S1	C1	H6	65.2°	60.0°
N1	S1	C1	H7	174.7°	180.0°
N1	S1	C1	H8	54.7°	60.0°
S1	N1	C2	H9	59.6°	6.8°
S1	N1	C2	H10	60.0°	113.5°
O1	S1	N1	C2	48.3°	153.9°
O1	S1	C1	H6	49.8°	51.6°
O1	S1	C1	H7	70.2°	68.4°
O1	S1	C1	H8	169.8°	171.6°
C1	S1	N1	C2	67.9°	90.0°
S1	C1	H6	H7	120.0°	120.0°
S1	C1	H6	H8	120.0°	120.0°
S1	C1	H7	H8	120.0°	120.0°
N1	C2	C3	C4	61.1°	54.7°
N1	C2	C3	H9	120.2°	119.8°
N1	C2	C3	H10	120.2°	119.9°
C2	N1	C6	H4	153.3°	66.2°
C2	N1	C6	H5	87.4°	173.4°
N1	C2	H9	H10	119.5°	120.3°
N1	C2	C3	H11	178.6°	174.6°
N1	C2	C3	H12	59.1°	65.3°
C5	C4	O3	C3	126.6°	120.0°
C5	C4	O3	H1	116.9°	119.9°
C5	C4	C3	H1	116.8°	120.0°
C5	C4	C3	C2	39.4°	61.3°
C4	C5	H2	H3	118.3°	120.0°
C4	C5	C6	H4	174.6°	65.1°
C4	C5	C6	H5	66.1°	174.4°
C5	C4	C3	H11	159.7°	178.7°
C5	C4	C3	H12	80.8°	58.6°
C5	C4	O3	H13	180.0°	60.0°
O3	C4	C3	H1	117.2°	120.1°
O3	C4	C3	C2	165.4°	178.7°
O3	C4	C5	H2	130.6°	61.3°
O3	C4	C5	H3	11.8°	58.6°
O3	C4	C3	H11	74.3°	58.8°
O3	C4	C3	H12	45.2°	61.4°
C4	C3	C2	H11	120.2°	119.9°
C4	C3	C2	H12	120.3°	120.0°
C3	C4	C5	H2	103.8°	58.6°
C3	C4	C5	H3	137.3°	178.6°
C4	C3	C2	H9	178.7°	174.5°
C4	C3	C2	H10	59.0°	65.2°
C4	C3	H11	H12	119.3°	120.1°
C3	C4	O3	H13	53.4°	180.0°
C2	C3	C4	H1	77.3°	58.6°
C3	C2	H9	H10	119.5°	120.3°
C2	C3	H11	H12	119.2°	120.1°
H1	C4	C5	H2	13.0°	178.7°
H1	C4	C5	H3	105.9°	61.4°
H1	C4	C3	H11	42.9°	61.3°
H1	C4	C3	H12	162.4°	178.5°
H1	C4	O3	H13	63.1°	59.9°
H2	C5	C6	H4	54.0°	174.9°
H2	C5	C6	H5	173.3°	54.4°
H3	C5	C6	H4	64.8°	54.8°
H3	C5	C6	H5	54.5°	65.6°
H6	C1	H7	H8	119.9°	120.0°
H9	C2	C3	H11	58.4°	65.6°
H9	C2	C3	H12	61.1°	54.5°
H10	C2	C3	H11	61.2°	54.7°
H10	C2	C3	H12	179.3°	174.9°

Release date:	2022-03-16
Definition date:	2022-03-04
Last modified:	2022-03-11
Release status:	REL
Processing site:	RCSB
Derived from:	5SM7