LK6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	sing	1.53Å	1.47Å
C8	C7	sing	1.53Å	1.50Å
C9	C7	sing	1.53Å	1.51Å
C7	C6	sing	1.51Å	1.48Å
C6	O3	doub	1.21Å	1.23Å
C6	N1	sing	1.35Å	1.34Å
N1	C2	sing	1.47Å	1.47Å
O2	S1	doub	1.42Å	1.44Å
C2	C1	sing	1.53Å	1.52Å
C2	C5	sing	1.55Å	1.54Å
C2	C3	sing	1.54Å	1.54Å
C4	S1	sing	1.83Å	1.77Å
C4	C3	sing	1.54Å	1.51Å
S1	C5	sing	1.83Å	1.78Å
S1	O1	doub	1.42Å	1.44Å
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
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C7	60.7°	60.0°
C8	C9	C7	60.7°	60.0°
C9	C8	H7	119.9°	117.5°
C9	C8	H8	119.8°	117.5°
C8	C9	H14	119.9°	117.5°
C8	C9	H15	119.9°	117.5°
C8	C7	C9	58.6°	60.0°
C8	C7	C6	117.6°	117.5°
C8	C7	H6	116.7°	117.5°
C7	C8	H7	119.9°	117.5°
C7	C8	H8	119.9°	117.5°
C9	C7	C6	117.4°	117.5°
C9	C7	H6	116.6°	117.5°
C7	C9	H14	119.9°	117.5°
C7	C9	H15	119.9°	117.5°
C7	C6	O3	122.0°	120.0°
C7	C6	N1	114.7°	120.0°
C6	C7	H6	117.1°	115.6°
O3	C6	N1	123.2°	120.0°
C6	N1	C2	125.6°	120.0°
C6	N1	H1	117.2°	120.0°
N1	C2	C1	108.1°	110.0°
N1	C2	C5	110.6°	110.0°
N1	C2	C3	114.2°	110.0°
C2	N1	H1	117.2°	120.0°
O2	S1	C4	110.3°	109.4°
O2	S1	C5	110.3°	109.3°
O2	S1	O1	117.0°	120.0°
C1	C2	C5	109.4°	110.0°
C1	C2	C3	112.2°	110.1°
C2	C1	H9	109.5°	109.5°
C2	C1	H10	109.5°	109.4°
C2	C1	H11	109.5°	109.5°
C5	C2	C3	102.2°	106.7°
C2	C5	S1	103.6°	102.6°
C2	C5	H4	110.9°	110.8°
C2	C5	H5	110.9°	110.9°
C2	C3	C4	106.3°	108.7°
C2	C3	H12	110.3°	109.6°
C2	C3	H13	110.2°	109.7°
S1	C4	C3	105.0°	105.1°
C4	S1	C5	96.8°	97.0°
C4	S1	O1	110.8°	109.3°
S1	C4	H2	110.6°	110.3°
S1	C4	H3	110.6°	110.4°
C3	C4	H2	110.6°	110.3°
C3	C4	H3	110.6°	110.3°
C4	C3	H12	110.3°	109.6°
C4	C3	H13	110.3°	109.7°
C5	S1	O1	109.8°	109.4°
S1	C5	H4	110.9°	110.8°
S1	C5	H5	110.9°	111.0°
H2	C4	H3	109.5°	110.4°
H4	C5	H5	109.5°	110.6°
H7	C8	H8	109.5°	115.6°
H9	C1	H10	109.5°	109.5°
H9	C1	H11	109.4°	109.5°
H10	C1	H11	109.5°	109.5°
H12	C3	H13	109.5°	109.6°
H14	C9	H15	109.5°	115.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	H7	109.7°	107.5°
C9	C8	C7	H8	109.6°	107.5°
C8	C9	C7	H14	109.7°	107.5°
C8	C9	C7	H15	109.6°	107.4°
C9	C8	C7	C6	106.9°	107.5°
C9	C8	C7	H6	106.3°	107.5°
C9	C8	H7	H8	144.3°	145.7°
C8	C9	H14	H15	144.3°	145.7°
C8	C7	C6	H6	146.7°	145.7°
C8	C7	C6	O3	60.4°	0.1°
C8	C7	C6	N1	121.0°	179.9°
C7	C8	H7	H8	144.3°	145.7°
C9	C7	C6	H6	146.4°	145.6°
C9	C7	C6	O3	6.6°	68.8°
C9	C7	C6	N1	172.0°	111.2°
C7	C9	H14	H15	144.4°	145.7°
C7	C6	O3	N1	178.4°	180.0°
C7	C6	N1	C2	137.1°	180.0°
C7	C6	N1	H1	42.9°	0.3°
C6	C7	C8	H7	143.5°	0.0°
C6	C7	C8	H8	2.8°	145.1°
C6	C7	C9	H14	2.6°	145.0°
C6	C7	C9	H15	143.3°	0.1°
O3	C6	N1	C2	41.5°	0.0°
O3	C6	N1	H1	138.5°	179.7°
O3	C6	C7	H6	152.9°	145.6°
C6	N1	C2	H1	180.0°	179.8°
C6	N1	C2	C1	47.8°	59.1°
C6	N1	C2	C5	167.5°	179.6°
C6	N1	C2	C3	77.9°	62.4°
N1	C6	C7	H6	25.6°	34.4°
N1	C2	C1	C5	120.5°	121.3°
N1	C2	C1	C3	126.8°	121.4°
N1	C2	C5	C3	121.9°	119.3°
N1	C2	C3	C4	66.0°	72.2°
N1	C2	C5	S1	77.0°	76.9°
N1	C2	C5	H4	164.0°	164.8°
N1	C2	C5	H5	42.1°	41.6°
N1	C2	C1	H9	180.0°	60.7°
N1	C2	C1	H10	60.0°	179.3°
N1	C2	C1	H11	60.0°	59.3°
N1	C2	C3	H12	53.6°	168.0°
N1	C2	C3	H13	174.5°	47.7°
O2	S1	C5	C2	92.5°	90.2°
O2	S1	C4	C5	114.6°	113.4°
O2	S1	C4	O1	131.2°	133.2°
O2	S1	C4	C3	122.7°	115.5°
O2	S1	C5	O1	130.4°	133.2°
O2	S1	C4	H2	118.0°	3.3°
O2	S1	C4	H3	3.5°	125.6°
O2	S1	C5	H4	148.5°	151.5°
O2	S1	C5	H5	26.6°	28.2°
C1	C2	C5	C3	119.1°	119.4°
C1	C2	C3	C4	170.5°	166.5°
C1	C2	C5	S1	164.0°	161.8°
C1	C2	N1	H1	132.3°	120.7°
C1	C2	C5	H4	45.0°	43.5°
C1	C2	C5	H5	76.9°	79.7°
C2	C1	H9	H10	120.0°	120.0°
C2	C1	H9	H11	120.0°	120.0°
C2	C1	H10	H11	120.0°	120.0°
C1	C2	C3	H12	69.9°	46.7°
C1	C2	C3	H13	51.0°	73.7°
C2	C5	S1	C4	22.2°	23.2°
C5	C2	C3	C4	53.4°	47.1°
C2	C5	S1	H4	119.1°	118.2°
C2	C5	S1	H5	119.1°	118.4°
C2	C5	S1	O1	137.2°	136.6°
C5	C2	N1	H1	12.5°	0.6°
C2	C5	H4	H5	122.7°	123.3°
C5	C2	C1	H9	59.5°	60.6°
C5	C2	C1	H10	179.5°	59.4°
C5	C2	C1	H11	60.5°	179.3°
C5	C2	C3	H12	173.0°	72.7°
C5	C2	C3	H13	66.1°	167.0°
C2	C3	C4	S1	36.6°	27.9°
C2	C3	C4	H12	119.5°	119.8°
C2	C3	C4	H13	119.5°	119.8°
C3	C2	C5	S1	44.9°	42.4°
C3	C2	N1	H1	102.1°	117.9°
C2	C3	C4	H2	155.9°	91.0°
C2	C3	C4	H3	82.7°	146.8°
C3	C2	C5	H4	74.1°	75.8°
C3	C2	C5	H5	164.0°	160.9°
C3	C2	C1	H9	53.2°	177.9°
C3	C2	C1	H10	66.8°	57.9°
C3	C2	C1	H11	173.2°	62.1°
C2	C3	H12	H13	121.4°	120.4°
S1	C4	C3	H2	119.3°	118.9°
S1	C4	C3	H3	119.3°	118.9°
C4	S1	C5	O1	115.0°	113.4°
S1	C4	H2	H3	122.1°	122.2°
C4	S1	C5	H4	96.9°	95.1°
C4	S1	C5	H5	141.3°	141.6°
S1	C4	C3	H12	156.1°	91.9°
S1	C4	C3	H13	82.9°	147.7°
C3	C4	S1	C5	8.1°	2.1°
C3	C4	S1	O1	106.1°	111.3°
C3	C4	H2	H3	122.1°	122.1°
C4	C3	H12	H13	121.5°	120.4°
C5	S1	C4	H2	127.4°	116.7°
C5	S1	C4	H3	111.2°	121.0°
S1	C5	H4	H5	122.7°	123.5°
O1	S1	C4	H2	13.2°	129.8°
O1	S1	C4	H3	134.7°	7.6°
O1	S1	C5	H4	18.1°	18.3°
O1	S1	C5	H5	103.8°	105.0°
H2	C4	C3	H12	84.6°	149.1°
H2	C4	C3	H13	36.4°	28.8°
H3	C4	C3	H12	36.9°	27.0°
H3	C4	C3	H13	157.8°	93.3°
H6	C7	C8	H7	3.4°	145.1°
H6	C7	C8	H8	144.0°	0.0°
H6	C7	C9	H14	144.0°	0.0°
H6	C7	C9	H15	3.3°	145.0°
H7	C8	C9	H14	140.6°	145.0°
H7	C8	C9	H15	0.0°	0.0°
H8	C8	C9	H14	0.0°	0.0°
H8	C8	C9	H15	140.7°	145.0°
H9	C1	H10	H11	119.9°	120.0°

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