VNU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	doub	1.38Å	1.36Å	Aromatic
C	C5	sing	1.38Å	1.36Å	Aromatic
C1	C2	sing	1.38Å	1.34Å	Aromatic
C5	C4	doub	1.38Å	1.34Å	Aromatic
C2	C3	doub	1.38Å	1.34Å	Aromatic
C4	C3	sing	1.38Å	1.34Å	Aromatic
C3	C6	sing	1.51Å	1.45Å
N1	C11	sing	1.47Å	1.45Å
C6	N	sing	1.47Å	1.45Å
C6	C7	sing	1.54Å	1.55Å
C6	C9	sing	1.54Å	1.53Å
C11	C10	sing	1.51Å	1.48Å
N	C10	sing	1.35Å	1.29Å
C10	O	doub	1.21Å	1.22Å
C7	C8	sing	1.54Å	1.51Å
C9	C8	sing	1.54Å	1.50Å
N1	H1	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.08Å	1.08Å
C5	H11	sing	1.08Å	1.08Å
C4	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.08Å	1.08Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
N	H16	sing	0.97Å	1.00Å
C	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C	C5	118.2°	120.0°
C	C1	C2	121.0°	120.0°
C	C1	H10	119.5°	120.0°
C1	C	H17	120.9°	120.0°
C	C5	C4	120.9°	120.0°
C	C5	H11	119.5°	120.0°
C5	C	H17	120.9°	120.0°
C1	C2	C3	119.1°	120.0°
C2	C1	H10	119.5°	120.0°
C1	C2	H13	120.5°	120.0°
C5	C4	C3	119.5°	120.0°
C4	C5	H11	119.6°	120.0°
C5	C4	H12	120.2°	120.0°
C2	C3	C4	121.1°	120.0°
C2	C3	C6	121.7°	120.0°
C3	C2	H13	120.4°	120.0°
C4	C3	C6	116.6°	120.0°
C3	C4	H12	120.2°	120.0°
C3	C6	N	108.6°	112.8°
C3	C6	C7	120.2°	113.6°
C3	C6	C9	112.3°	113.7°
N1	C11	C10	103.5°	109.4°
C11	N1	H1	109.5°	111.0°
C11	N1	H2	109.5°	111.1°
N1	C11	H14	111.0°	109.5°
N1	C11	H15	110.9°	109.5°
N	C6	C7	119.3°	113.6°
N	C6	C9	109.5°	113.6°
C6	N	C10	123.6°	120.0°
C6	N	H16	118.2°	120.0°
C7	C6	C9	84.0°	87.1°
C6	C7	C8	88.0°	87.1°
C6	C7	H4	114.5°	113.6°
C6	C7	H5	114.5°	113.7°
C6	C9	C8	89.1°	87.0°
C6	C9	H8	114.3°	113.6°
C6	C9	H9	114.3°	113.7°
C11	C10	N	115.4°	120.0°
C11	C10	O	116.2°	120.0°
C10	C11	H14	110.9°	109.5°
C10	C11	H15	111.0°	109.5°
N	C10	O	128.5°	120.0°
C10	N	H16	118.2°	120.0°
C7	C8	C9	87.0°	87.1°
C8	C7	H4	114.5°	113.7°
C8	C7	H5	114.6°	113.6°
C7	C8	H6	114.7°	113.6°
C7	C8	H7	114.7°	113.6°
C9	C8	H6	114.7°	113.6°
C9	C8	H7	114.7°	113.6°
C8	C9	H8	114.3°	113.6°
C8	C9	H9	114.3°	113.7°
H1	N1	H2	109.4°	111.0°
H4	C7	H5	109.5°	112.9°
H6	C8	H7	109.5°	112.8°
H8	C9	H9	109.5°	112.8°
H14	C11	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C	C5	H17	180.0°	179.9°
C	C1	C2	H10	180.0°	179.7°
C1	C	C5	C4	0.5°	0.1°
C	C1	C2	C3	0.4°	0.3°
C1	C	C5	H11	179.4°	179.7°
C	C1	C2	H13	179.6°	179.8°
C5	C	C1	C2	1.2°	0.0°
C	C5	C4	H11	180.0°	179.8°
C	C5	C4	C3	1.7°	0.2°
C5	C	C1	H10	178.8°	179.6°
C	C5	C4	H12	178.3°	179.7°
C1	C2	C3	H13	180.0°	179.9°
C1	C2	C3	C4	2.8°	0.6°
C1	C2	C3	C6	168.2°	179.9°
C2	C1	C	H17	178.8°	179.9°
C5	C4	C3	C2	3.4°	0.5°
C5	C4	C3	H12	180.0°	179.9°
C5	C4	C3	C6	168.0°	180.0°
C4	C5	C	H17	179.5°	180.0°
C2	C3	C4	C6	171.4°	179.5°
C2	C3	C6	N	134.5°	3.1°
C2	C3	C6	C7	8.0°	128.1°
C2	C3	C6	C9	104.2°	134.3°
C3	C2	C1	H10	179.6°	180.0°
C2	C3	C4	H12	176.6°	179.4°
C4	C3	C6	N	54.1°	176.4°
C4	C3	C6	C7	163.4°	52.4°
C4	C3	C6	C9	67.2°	45.2°
C3	C4	C5	H11	178.3°	180.0°
C4	C3	C2	H13	177.3°	179.5°
C3	C6	N	C7	142.9°	131.2°
C3	C6	N	C9	123.0°	131.3°
C3	C6	C7	C9	112.3°	114.6°
C3	C6	N	C10	91.7°	76.5°
C3	C6	C7	C8	87.0°	140.0°
C3	C6	C9	C8	94.7°	140.0°
C3	C6	C7	H4	29.1°	105.4°
C3	C6	C7	H5	156.8°	25.5°
C3	C6	C9	H8	148.9°	25.5°
C3	C6	C9	H9	21.7°	105.4°
C6	C3	C4	H12	12.0°	0.1°
C6	C3	C2	H13	11.8°	0.0°
C3	C6	N	H16	88.3°	103.4°
N1	C11	C10	H14	119.0°	120.0°
N1	C11	C10	H15	119.0°	120.0°
N1	C11	C10	N	125.3°	179.9°
N1	C11	C10	O	54.8°	0.0°
C11	N1	H1	H2	120.0°	124.0°
N1	C11	H14	H15	122.8°	120.0°
N	C6	C7	C9	109.0°	114.6°
C6	N	C10	C11	0.1°	174.5°
C6	N	C10	H16	180.0°	179.9°
C6	N	C10	O	179.7°	5.4°
N	C6	C7	C8	134.4°	89.1°
N	C6	C9	C8	144.5°	89.2°
N	C6	C7	H4	109.5°	25.4°
N	C6	C7	H5	18.2°	156.3°
N	C6	C9	H8	28.1°	156.4°
N	C6	C9	H9	99.1°	25.4°
C7	C6	N	C10	51.2°	54.7°
C6	C7	C8	H4	116.1°	114.5°
C6	C7	C8	H5	116.1°	114.6°
C7	C6	C9	C8	25.5°	25.4°
C6	C7	H4	H5	130.2°	131.3°
C6	C7	C8	H6	90.0°	140.0°
C6	C7	C8	H7	141.9°	89.2°
C7	C6	C9	H8	90.9°	89.1°
C7	C6	C9	H9	141.9°	140.0°
C7	C6	N	H16	128.8°	125.4°
C9	C6	N	C10	145.3°	152.2°
C6	C9	C8	H8	116.4°	114.5°
C6	C9	C8	H9	116.4°	114.7°
C9	C6	C7	H4	141.5°	140.0°
C9	C6	C7	H5	90.8°	89.1°
C6	C9	C8	H6	89.7°	140.0°
C6	C9	C8	H7	142.2°	89.1°
C6	C9	H8	H9	129.7°	131.4°
C9	C6	N	H16	34.7°	27.9°
C11	C10	N	O	179.9°	179.9°
C10	C11	N1	H1	180.0°	179.9°
C10	C11	N1	H2	60.0°	56.1°
C10	C11	H14	H15	122.8°	120.0°
C11	C10	N	H16	179.8°	5.5°
N	C10	C11	H14	6.3°	60.0°
N	C10	C11	H15	115.7°	60.0°
O	C10	C11	H14	173.8°	120.0°
O	C10	C11	H15	64.2°	120.0°
O	C10	N	H16	0.3°	174.5°
C7	C8	C9	H6	115.9°	114.6°
C7	C8	C9	H7	115.9°	114.6°
C8	C7	H4	H5	130.3°	131.3°
C7	C8	H6	H7	130.7°	131.2°
C7	C8	C9	H8	90.1°	89.1°
C7	C8	C9	H9	142.7°	140.1°
C9	C8	C7	H4	142.1°	139.9°
C9	C8	C7	H5	90.2°	89.2°
C9	C8	H6	H7	130.7°	131.2°
C8	C9	H8	H9	129.7°	131.2°
H1	N1	C11	H14	61.0°	60.0°
H1	N1	C11	H15	61.0°	60.0°
H2	N1	C11	H14	59.0°	63.9°
H2	N1	C11	H15	179.0°	176.1°
H4	C7	C8	H6	26.1°	105.5°
H4	C7	C8	H7	102.0°	25.3°
H5	C7	C8	H6	153.9°	25.4°
H5	C7	C8	H7	25.7°	156.2°
H6	C8	C9	H8	153.9°	25.5°
H6	C8	C9	H9	26.7°	105.3°
H7	C8	C9	H8	25.8°	156.3°
H7	C8	C9	H9	101.4°	25.5°
H10	C1	C2	H13	0.4°	0.1°
H10	C1	C	H17	1.2°	0.3°
H11	C5	C4	H12	1.7°	0.1°
H11	C5	C	H17	0.6°	0.2°

Release date:	2022-11-02
Definition date:	2022-09-02
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	5STR