V0O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.51Å
C1	O	sing	1.45Å	1.43Å
O1	C2	doub	1.22Å	1.18Å
O	C2	sing	1.35Å	1.35Å
C2	C3	sing	1.47Å	1.44Å
C3	C4	doub	1.35Å	1.32Å	Aromatic
C3	N	sing	1.34Å	1.40Å	Aromatic
C4	S	sing	1.76Å	1.66Å	Aromatic
N	C5	doub	1.29Å	1.32Å	Aromatic
C5	S	sing	1.76Å	1.72Å	Aromatic
C5	N1	sing	1.38Å	1.36Å
N1	C6	sing	1.47Å	1.45Å
C6	C7	sing	1.53Å	1.51Å
C6	C8	sing	1.53Å	1.53Å
C7	C8	sing	1.53Å	1.49Å
N1	H1	sing	0.97Å	1.00Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.08Å	1.08Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	O	112.8°	109.5°
C	C1	H6	108.6°	109.5°
C	C1	H7	108.6°	109.5°
C1	C	H10	109.5°	109.5°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.5°	109.5°
C1	O	C2	117.0°	117.0°
O	C1	H6	108.6°	109.5°
O	C1	H7	108.6°	109.5°
O1	C2	O	121.6°	120.0°
O1	C2	C3	123.0°	120.0°
O	C2	C3	115.1°	120.0°
C2	C3	C4	121.7°	122.5°
C2	C3	N	120.1°	122.5°
C4	C3	N	117.9°	115.0°
C3	C4	S	109.3°	108.3°
C3	C4	H9	125.3°	125.9°
C3	N	C5	107.8°	116.9°
C4	S	C5	91.7°	90.2°
S	C4	H9	125.4°	125.8°
N	C5	S	113.2°	109.7°
N	C5	N1	123.7°	125.2°
S	C5	N1	123.1°	125.2°
C5	N1	C6	125.0°	120.0°
C5	N1	H1	105.5°	120.0°
N1	C6	C7	113.1°	117.5°
N1	C6	C8	120.7°	117.5°
C6	N1	H1	105.5°	120.0°
N1	C6	H8	117.7°	115.5°
C7	C6	C8	58.7°	60.0°
C6	C7	C8	61.2°	60.0°
C6	C7	H2	119.8°	117.5°
C6	C7	H3	119.8°	117.6°
C7	C6	H8	116.5°	117.5°
C6	C8	C7	60.1°	60.0°
C6	C8	H4	120.0°	117.5°
C6	C8	H5	120.0°	117.6°
C8	C6	H8	116.2°	117.5°
C8	C7	H2	119.8°	117.5°
C8	C7	H3	119.8°	117.5°
C7	C8	H4	120.0°	117.4°
C7	C8	H5	120.0°	117.5°
H2	C7	H3	109.5°	115.5°
H4	C8	H5	109.5°	115.6°
H6	C1	H7	109.5°	109.4°
H10	C	H11	109.4°	109.5°
H10	C	H12	109.5°	109.5°
H11	C	H12	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	O	H6	120.5°	120.0°
C	C1	O	H7	120.5°	120.1°
C	C1	O	C2	134.8°	180.0°
C	C1	H6	H7	118.5°	120.0°
C1	C	H10	H11	120.0°	120.1°
C1	C	H10	H12	120.0°	120.0°
C1	C	H11	H12	120.0°	120.0°
C1	O	C2	O1	6.3°	0.0°
C1	O	C2	C3	180.0°	180.0°
O	C1	H6	H7	118.5°	120.0°
O	C1	C	H10	180.0°	60.0°
O	C1	C	H11	60.0°	60.0°
O	C1	C	H12	60.0°	180.0°
O1	C2	O	C3	173.7°	180.0°
O1	C2	C3	C4	161.9°	0.1°
O1	C2	C3	N	12.1°	179.4°
O	C2	C3	C4	11.7°	180.0°
O	C2	C3	N	174.4°	0.7°
C2	O	C1	H6	104.7°	60.0°
C2	O	C1	H7	14.3°	59.9°
C2	C3	C4	N	174.1°	179.4°
C2	C3	C4	S	172.8°	180.0°
C2	C3	N	C5	173.2°	179.8°
C2	C3	C4	H9	7.3°	0.5°
C3	C4	S	H9	180.0°	179.5°
C4	C3	N	C5	1.0°	0.4°
C3	C4	S	C5	1.0°	0.5°
N	C3	C4	S	1.3°	0.6°
C3	N	C5	S	0.1°	0.0°
C3	N	C5	N1	179.0°	179.7°
N	C3	C4	H9	178.6°	179.9°
C4	S	C5	N	0.5°	0.3°
C4	S	C5	N1	178.4°	180.0°
N	C5	S	N1	178.9°	179.7°
N	C5	N1	C6	176.7°	179.8°
N	C5	N1	H1	61.2°	0.0°
S	C5	N1	C6	4.6°	0.1°
S	C5	N1	H1	117.5°	179.7°
C5	S	C4	H9	179.0°	180.0°
C5	N1	C6	H1	122.1°	179.8°
C5	N1	C6	C7	140.4°	155.3°
C5	N1	C6	C8	153.5°	136.1°
C5	N1	C6	H8	0.3°	9.5°
N1	C6	C7	C8	112.9°	107.5°
N1	C6	C7	H8	141.1°	145.0°
N1	C6	C8	H8	153.6°	144.9°
N1	C6	C7	H2	3.2°	145.0°
N1	C6	C7	H3	137.3°	0.0°
N1	C6	C8	H4	150.5°	0.1°
N1	C6	C8	H5	9.5°	145.0°
C7	C6	C8	H8	106.5°	107.5°
C6	C7	C8	H2	109.8°	107.5°
C6	C7	C8	H3	109.8°	107.6°
C7	C6	N1	H1	97.5°	25.0°
C6	C7	H2	H3	144.1°	145.7°
C7	C6	C8	H4	109.5°	107.4°
C7	C6	C8	H5	109.5°	107.5°
C8	C6	N1	H1	31.4°	43.7°
C6	C8	H4	H5	144.7°	145.8°
C8	C7	H2	H3	144.1°	145.6°
C7	C8	H4	H5	144.7°	145.6°
H1	N1	C6	H8	121.8°	170.7°
H2	C7	C8	H4	140.7°	145.0°
H2	C7	C8	H5	0.3°	0.1°
H2	C7	C6	H8	144.3°	0.0°
H3	C7	C8	H4	0.3°	0.1°
H3	C7	C8	H5	140.8°	144.9°
H3	C7	C6	H8	3.9°	145.1°
H4	C8	C6	H8	3.0°	145.0°
H5	C8	C6	H8	144.1°	0.1°
H6	C1	C	H10	59.5°	180.0°
H6	C1	C	H11	60.5°	60.0°
H6	C1	C	H12	179.5°	60.0°
H7	C1	C	H10	59.5°	60.0°
H7	C1	C	H11	179.5°	179.9°
H7	C1	C	H12	60.5°	60.0°
H10	C	H11	H12	120.0°	120.0°

Release date:	2022-11-02
Definition date:	2022-08-29
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	5STS