LJR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.46Å
N1	S1	sing	1.66Å	1.61Å
C2	S1	sing	1.81Å	1.78Å
C2	C3	sing	1.53Å	1.53Å
C4	C3	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.53Å
S1	O1	doub	1.42Å	1.43Å
S1	O2	doub	1.42Å	1.43Å
C3	C8	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.52Å
C8	C7	sing	1.53Å	1.53Å
C6	C7	sing	1.53Å	1.52Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	S1	118.5°	120.0°
C1	N1	H1	107.2°	120.0°
N1	C1	H12	109.5°	109.4°
N1	C1	H13	109.5°	109.5°
N1	C1	H14	109.4°	109.5°
N1	S1	C2	106.1°	104.5°
N1	S1	O1	107.6°	104.3°
N1	S1	O2	107.7°	104.3°
S1	N1	H1	107.2°	120.0°
S1	C2	C3	117.0°	109.5°
C2	S1	O1	108.6°	110.6°
C2	S1	O2	106.8°	110.5°
S1	C2	H15	107.5°	109.5°
S1	C2	H16	107.6°	109.4°
C2	C3	C4	111.8°	109.5°
C2	C3	C8	111.9°	109.5°
C3	C2	H15	107.6°	109.5°
C3	C2	H16	107.6°	109.4°
C2	C3	H17	107.4°	109.4°
C3	C4	C5	112.6°	109.5°
C4	C3	C8	110.8°	109.4°
C3	C4	H2	108.7°	109.5°
C3	C4	H3	108.7°	109.4°
C4	C3	H17	107.3°	109.5°
C4	C5	C6	111.2°	109.4°
C5	C4	H2	108.7°	109.5°
C5	C4	H3	108.7°	109.4°
C4	C5	H4	109.1°	109.5°
C4	C5	H5	109.0°	109.5°
O1	S1	O2	119.3°	121.0°
C3	C8	C7	113.4°	109.4°
C3	C8	H10	108.5°	109.5°
C3	C8	H11	108.5°	109.5°
C8	C3	H17	107.4°	109.5°
C5	C6	C7	110.2°	109.5°
C6	C5	H4	109.0°	109.5°
C6	C5	H5	109.0°	109.5°
C5	C6	H6	109.3°	109.5°
C5	C6	H7	109.3°	109.5°
C8	C7	C6	111.0°	109.5°
C8	C7	H8	109.1°	109.5°
C8	C7	H9	109.0°	109.4°
C7	C8	H10	108.5°	109.4°
C7	C8	H11	108.5°	109.5°
C7	C6	H6	109.3°	109.4°
C7	C6	H7	109.3°	109.5°
C6	C7	H8	109.1°	109.5°
C6	C7	H9	109.1°	109.5°
H2	C4	H3	109.5°	109.4°
H4	C5	H5	109.5°	109.4°
H6	C6	H7	109.5°	109.5°
H8	C7	H9	109.5°	109.5°
H10	C8	H11	109.5°	109.5°
H12	C1	H13	109.4°	109.5°
H12	C1	H14	109.5°	109.5°
H13	C1	H14	109.5°	109.5°
H15	C2	H16	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	S1	H1	121.3°	179.7°
C1	N1	S1	C2	56.2°	64.7°
C1	N1	S1	O1	172.3°	179.2°
C1	N1	S1	O2	57.9°	51.4°
N1	C1	H12	H13	120.0°	120.0°
N1	C1	H12	H14	120.0°	120.0°
N1	C1	H13	H14	120.0°	120.0°
N1	S1	C2	O1	115.4°	111.7°
N1	S1	C2	O2	114.7°	111.6°
N1	S1	C2	C3	154.7°	180.0°
N1	S1	O1	O2	123.0°	116.8°
S1	N1	C1	H12	180.0°	60.0°
S1	N1	C1	H13	60.0°	180.0°
S1	N1	C1	H14	60.0°	60.0°
N1	S1	C2	H15	33.6°	59.9°
N1	S1	C2	H16	84.2°	60.0°
S1	C2	C3	H15	121.0°	120.1°
S1	C2	C3	H16	121.1°	120.0°
S1	C2	C3	C4	179.2°	175.1°
C2	S1	O1	O2	122.6°	131.4°
S1	C2	C3	C8	54.3°	65.0°
C2	S1	N1	H1	65.1°	115.0°
S1	C2	H15	H16	116.6°	120.0°
S1	C2	C3	H17	63.3°	55.0°
C2	C3	C4	C8	125.6°	120.0°
C2	C3	C4	H17	117.5°	120.0°
C2	C3	C4	C5	176.3°	180.0°
C3	C2	S1	O1	89.9°	68.3°
C3	C2	S1	O2	40.0°	68.4°
C2	C3	C8	H17	117.6°	120.0°
C2	C3	C8	C7	175.9°	180.0°
C2	C3	C4	H2	63.2°	59.9°
C2	C3	C4	H3	55.8°	60.0°
C2	C3	C8	H10	55.4°	60.0°
C2	C3	C8	H11	63.5°	60.0°
C3	C2	H15	H16	116.6°	120.0°
C3	C4	C5	H2	120.5°	120.1°
C3	C4	C5	H3	120.5°	119.9°
C4	C3	C8	H17	116.9°	120.0°
C3	C4	C5	C6	55.6°	60.1°
C4	C3	C8	C7	50.5°	60.0°
C3	C4	H2	H3	118.5°	120.0°
C3	C4	C5	H4	64.7°	60.0°
C3	C4	C5	H5	175.8°	179.9°
C4	C3	C8	H10	70.1°	179.9°
C4	C3	C8	H11	171.0°	60.0°
C4	C3	C2	H15	59.7°	55.0°
C4	C3	C2	H16	58.2°	65.0°
C5	C4	C3	C8	50.7°	60.0°
C4	C5	C6	H4	120.3°	120.0°
C4	C5	C6	H5	120.3°	120.0°
C4	C5	C6	C7	58.2°	60.1°
C5	C4	H2	H3	118.6°	120.0°
C4	C5	H4	H5	119.2°	120.0°
C4	C5	C6	H6	178.3°	180.0°
C4	C5	C6	H7	61.9°	60.0°
C5	C4	C3	H17	66.2°	60.0°
O1	S1	N1	H1	51.0°	1.1°
O1	S1	C2	H15	149.1°	171.6°
O1	S1	C2	H16	31.2°	51.7°
O2	S1	N1	H1	179.2°	128.9°
O2	S1	C2	H15	81.1°	51.7°
O2	S1	C2	H16	161.1°	171.7°
C3	C8	C7	H10	120.6°	120.0°
C3	C8	C7	H11	120.6°	120.0°
C3	C8	C7	C6	54.5°	60.0°
C8	C3	C4	H2	171.2°	60.1°
C8	C3	C4	H3	69.7°	180.0°
C3	C8	C7	H8	174.7°	60.0°
C3	C8	C7	H9	65.8°	180.0°
C3	C8	H10	H11	118.2°	120.1°
C8	C3	C2	H15	175.4°	175.0°
C8	C3	C2	H16	66.7°	55.0°
C5	C6	C7	C8	57.3°	60.0°
C5	C6	C7	H6	120.1°	120.0°
C5	C6	C7	H7	120.1°	120.1°
C6	C5	C4	H2	176.0°	60.0°
C6	C5	C4	H3	64.9°	180.0°
C6	C5	H4	H5	119.2°	120.0°
C5	C6	H6	H7	119.7°	120.0°
C5	C6	C7	H8	177.6°	59.9°
C5	C6	C7	H9	62.9°	180.0°
C8	C7	C6	H8	120.2°	120.0°
C8	C7	C6	H9	120.2°	119.9°
C8	C7	C6	H6	177.4°	180.0°
C8	C7	C6	H7	62.8°	60.0°
C8	C7	H8	H9	119.3°	120.0°
C7	C8	H10	H11	118.2°	120.0°
C7	C8	C3	H17	66.5°	60.0°
C7	C6	C5	H4	62.1°	60.0°
C7	C6	C5	H5	178.4°	180.0°
C7	C6	H6	H7	119.7°	120.0°
C6	C7	H8	H9	119.3°	120.0°
C6	C7	C8	H10	66.1°	180.0°
C6	C7	C8	H11	175.0°	60.0°
H1	N1	C1	H12	58.7°	120.3°
H1	N1	C1	H13	61.2°	0.3°
H1	N1	C1	H14	178.7°	119.7°
H2	C4	C5	H4	55.8°	180.0°
H2	C4	C5	H5	63.7°	60.0°
H2	C4	C3	H17	54.3°	179.9°
H3	C4	C5	H4	174.8°	60.0°
H3	C4	C5	H5	55.3°	60.0°
H3	C4	C3	H17	173.3°	60.0°
H4	C5	C6	H6	58.0°	60.0°
H4	C5	C6	H7	177.8°	180.0°
H5	C5	C6	H6	61.5°	60.0°
H5	C5	C6	H7	58.3°	60.0°
H6	C6	C7	H8	62.3°	60.0°
H6	C6	C7	H9	57.2°	60.0°
H7	C6	C7	H8	57.5°	180.0°
H7	C6	C7	H9	177.1°	59.9°
H8	C7	C8	H10	54.1°	60.0°
H8	C7	C8	H11	64.8°	180.0°
H9	C7	C8	H10	173.7°	60.1°
H9	C7	C8	H11	54.8°	60.0°
H10	C8	C3	H17	173.0°	59.9°
H11	C8	C3	H17	54.1°	180.0°
H12	C1	H13	H14	120.0°	120.1°
H15	C2	C3	H17	57.8°	65.0°
H16	C2	C3	H17	175.6°	175.0°

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