VVJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	sing	1.50Å	1.51Å
C8	C2	sing	1.54Å	1.53Å
C7	C6	sing	1.54Å	1.52Å
O1	S1	doub	1.42Å	1.43Å
C1	N1	sing	1.47Å	1.46Å
C6	C5	sing	1.54Å	1.50Å
C9	S1	sing	1.81Å	1.75Å
N1	S1	sing	1.66Å	1.64Å
N1	C2	sing	1.46Å	1.49Å
S1	O2	doub	1.42Å	1.43Å
C2	C3	sing	1.46Å	1.53Å
C5	C4	sing	1.50Å	1.50Å
C4	C3	sing	1.54Å	1.49Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å
C9	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	C2	114.0°	108.5°
C8	C7	C6	115.1°	112.5°
C8	C7	H7	108.0°	108.8°
C8	C7	H8	108.0°	108.8°
C7	C8	H9	108.3°	109.6°
C7	C8	H10	108.3°	109.6°
C8	C2	N1	116.2°	108.9°
C8	C2	C3	111.7°	112.4°
C2	C8	H9	108.3°	109.6°
C2	C8	H10	108.3°	109.7°
C8	C2	H14	105.9°	108.9°
C7	C6	C5	114.2°	112.8°
C7	C6	H5	108.3°	108.8°
C7	C6	H6	108.3°	108.7°
C6	C7	H7	108.0°	108.9°
C6	C7	H8	108.1°	108.9°
O1	S1	C9	109.0°	110.6°
O1	S1	N1	107.7°	104.3°
O1	S1	O2	117.5°	121.0°
C1	N1	S1	118.0°	120.0°
C1	N1	C2	115.1°	120.0°
N1	C1	H11	109.5°	109.5°
N1	C1	H12	109.5°	109.5°
N1	C1	H13	109.5°	109.5°
C6	C5	C4	113.5°	112.5°
C6	C5	H3	108.4°	108.9°
C6	C5	H4	108.4°	108.8°
C5	C6	H5	108.3°	108.8°
C5	C6	H6	108.3°	108.8°
C9	S1	N1	106.0°	104.4°
C9	S1	O2	108.9°	110.6°
S1	C9	H17	109.5°	109.5°
S1	C9	H18	109.5°	109.4°
S1	C9	H19	109.4°	109.4°
S1	N1	C2	120.6°	120.0°
N1	S1	O2	107.2°	104.3°
N1	C2	C3	110.1°	108.9°
N1	C2	H14	106.3°	108.9°
C2	C3	C4	115.8°	112.4°
C3	C2	H14	105.8°	108.8°
C2	C3	H15	107.9°	108.9°
C2	C3	H16	107.9°	108.8°
C5	C4	C3	115.0°	108.5°
C5	C4	H1	108.1°	109.6°
C5	C4	H2	108.1°	109.7°
C4	C5	H3	108.4°	108.9°
C4	C5	H4	108.5°	108.9°
C3	C4	H1	108.1°	109.6°
C3	C4	H2	108.1°	109.7°
C4	C3	H15	107.8°	108.9°
C4	C3	H16	107.9°	108.9°
H1	C4	H2	109.4°	109.7°
H3	C5	H4	109.5°	108.8°
H5	C6	H6	109.5°	108.8°
H7	C7	H8	109.5°	108.9°
H9	C8	H10	109.5°	109.8°
H11	C1	H12	109.5°	109.5°
H11	C1	H13	109.5°	109.4°
H12	C1	H13	109.4°	109.5°
H15	C3	H16	109.5°	108.9°
H17	C9	H18	109.5°	109.5°
H17	C9	H19	109.5°	109.5°
H18	C9	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	C2	H9	120.6°	119.7°
C7	C8	C2	H10	120.7°	119.7°
C8	C7	C6	H7	120.8°	120.7°
C8	C7	C6	H8	120.8°	120.7°
C8	C7	C6	C5	69.7°	41.7°
C7	C8	C2	N1	171.9°	159.2°
C7	C8	C2	C3	44.5°	80.0°
C8	C7	C6	H5	50.9°	162.5°
C8	C7	C6	H6	169.6°	79.1°
C8	C7	H7	H8	117.4°	118.5°
C7	C8	H9	H10	117.9°	120.5°
C7	C8	C2	H14	70.3°	40.7°
C2	C8	C7	C6	92.4°	94.2°
C8	C2	N1	C1	37.4°	59.7°
C8	C2	N1	S1	114.0°	120.0°
C8	C2	N1	C3	128.3°	122.9°
C8	C2	N1	H14	117.5°	118.6°
C8	C2	C3	H14	114.8°	120.7°
C8	C2	C3	C4	34.3°	62.0°
C2	C8	C7	H7	146.8°	26.6°
C2	C8	C7	H8	28.4°	145.1°
C2	C8	H9	H10	117.9°	120.5°
C8	C2	C3	H15	86.6°	58.8°
C8	C2	C3	H16	155.2°	177.3°
C7	C6	C5	H5	120.7°	120.9°
C7	C6	C5	H6	120.7°	120.8°
C7	C6	C5	C4	49.7°	41.7°
C7	C6	C5	H3	170.3°	162.5°
C7	C6	C5	H4	70.9°	79.1°
C7	C6	H5	H6	117.9°	118.3°
C6	C7	H7	H8	117.4°	118.6°
C6	C7	C8	H9	146.9°	146.2°
C6	C7	C8	H10	28.3°	25.6°
O1	S1	N1	C1	17.1°	26.3°
O1	S1	C9	N1	115.7°	111.6°
O1	S1	C9	O2	129.4°	136.8°
O1	S1	N1	O2	127.3°	127.8°
O1	S1	N1	C2	133.6°	153.9°
O1	S1	C9	H17	180.0°	51.6°
O1	S1	C9	H18	60.0°	68.4°
O1	S1	C9	H19	60.0°	171.6°
C1	N1	S1	C9	133.6°	89.7°
C1	N1	S1	C2	150.6°	179.8°
C1	N1	S1	O2	110.2°	154.2°
C1	N1	C2	C3	90.8°	63.1°
N1	C1	H11	H12	120.0°	120.0°
N1	C1	H11	H13	120.0°	120.0°
N1	C1	H12	H13	120.0°	120.0°
C1	N1	C2	H14	155.0°	178.4°
C6	C5	C4	H3	120.6°	120.8°
C6	C5	C4	H4	120.6°	120.7°
C6	C5	C4	C3	74.4°	94.2°
C6	C5	C4	H1	46.5°	146.2°
C6	C5	C4	H2	164.8°	25.6°
C6	C5	H3	H4	118.1°	118.4°
C5	C6	H5	H6	117.9°	118.4°
C5	C6	C7	H7	169.4°	79.0°
C5	C6	C7	H8	51.1°	162.4°
C9	S1	N1	O2	116.1°	116.1°
C9	S1	N1	C2	17.0°	90.0°
S1	C9	H17	H18	120.0°	120.0°
S1	C9	H17	H19	120.0°	120.0°
S1	C9	H18	H19	120.0°	120.0°
S1	N1	C2	C3	117.7°	117.1°
S1	N1	C1	H11	180.0°	90.0°
S1	N1	C1	H12	60.0°	150.0°
S1	N1	C1	H13	60.0°	29.9°
S1	N1	C2	H14	3.5°	1.4°
N1	S1	C9	H17	64.3°	60.0°
N1	S1	C9	H18	55.7°	180.0°
N1	S1	C9	H19	175.6°	60.0°
C2	N1	S1	O2	99.1°	26.0°
N1	C2	C3	H14	114.5°	118.5°
N1	C2	C3	C4	96.4°	177.3°
N1	C2	C8	H9	67.4°	39.6°
N1	C2	C8	H10	51.3°	81.0°
C2	N1	C1	H11	27.8°	89.8°
C2	N1	C1	H12	147.8°	30.2°
C2	N1	C1	H13	92.2°	150.3°
N1	C2	C3	H15	142.7°	61.9°
N1	C2	C3	H16	24.5°	56.6°
O2	S1	C9	H17	50.6°	171.6°
O2	S1	C9	H18	170.7°	68.4°
O2	S1	C9	H19	69.4°	51.6°
C2	C3	C4	C5	91.5°	80.0°
C2	C3	C4	H15	120.9°	120.8°
C2	C3	C4	H16	120.9°	120.7°
C2	C3	C4	H1	29.3°	160.3°
C2	C3	C4	H2	147.6°	39.9°
C3	C2	C8	H9	165.1°	160.3°
C3	C2	C8	H10	76.2°	39.7°
C2	C3	H15	H16	117.1°	118.5°
C5	C4	C3	H1	120.8°	119.7°
C5	C4	C3	H2	120.8°	119.9°
C5	C4	H1	H2	117.5°	120.5°
C4	C5	H3	H4	118.2°	118.6°
C4	C5	C6	H5	71.0°	79.1°
C4	C5	C6	H6	170.4°	162.5°
C5	C4	C3	H15	29.4°	40.8°
C5	C4	C3	H16	147.5°	159.3°
C3	C4	H1	H2	117.4°	120.5°
C3	C4	C5	H3	165.1°	145.1°
C3	C4	C5	H4	46.2°	26.6°
C4	C3	C2	H14	149.0°	58.8°
C4	C3	H15	H16	117.1°	118.6°
H1	C4	C5	H3	74.1°	25.4°
H1	C4	C5	H4	167.0°	93.1°
H1	C4	C3	H15	150.2°	78.9°
H1	C4	C3	H16	91.6°	39.7°
H2	C4	C5	H3	44.3°	95.1°
H2	C4	C5	H4	74.6°	146.4°
H2	C4	C3	H15	91.4°	160.6°
H2	C4	C3	H16	26.7°	80.8°
H3	C5	C6	H5	49.6°	41.6°
H3	C5	C6	H6	69.0°	76.7°
H4	C5	C6	H5	168.4°	160.1°
H4	C5	C6	H6	49.8°	41.7°
H5	C6	C7	H7	69.9°	41.8°
H5	C6	C7	H8	171.8°	76.7°
H6	C6	C7	H7	48.7°	160.2°
H6	C6	C7	H8	69.6°	41.6°
H7	C7	C8	H9	26.1°	93.1°
H7	C7	C8	H10	92.6°	146.4°
H8	C7	C8	H9	92.2°	25.4°
H8	C7	C8	H10	149.1°	95.1°
H9	C8	C2	H14	50.4°	79.0°
H10	C8	C2	H14	169.1°	160.4°
H11	C1	H12	H13	120.0°	120.0°
H14	C2	C3	H15	28.1°	179.5°
H14	C2	C3	H16	90.0°	61.9°
H17	C9	H18	H19	120.0°	120.0°

Release date:	2020-09-30
Definition date:	2020-09-17
Last modified:	2020-09-25
Release status:	REL
Processing site:	RCSB
Derived from:	5RLB