5YC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C5	doub	1.22Å	1.22Å
C8	C7	sing	1.51Å	1.49Å
N3	C7	doub	1.29Å	1.29Å
N3	N1	sing	1.39Å	1.37Å
C5	N1	sing	1.36Å	1.41Å
C5	C4	sing	1.40Å	1.45Å
C7	S	sing	1.77Å	1.73Å
N1	C6	sing	1.36Å	1.36Å
C	C1	sing	1.53Å	1.50Å
C4	C3	doub	1.38Å	1.36Å
C6	S	sing	1.77Å	1.73Å
C6	N2	doub	1.32Å	1.30Å
C3	N2	sing	1.33Å	1.37Å
C3	C2	sing	1.51Å	1.50Å
C1	N	sing	1.46Å	1.53Å
C2	N	sing	1.47Å	1.46Å
N	C9	sing	1.40Å	1.44Å
C9	C14	doub	1.39Å	1.41Å	Aromatic
C9	C10	sing	1.39Å	1.40Å	Aromatic
C14	C13	sing	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C2	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C5	N1	119.8°	120.1°
O	C5	C4	126.4°	120.2°
C8	C7	N3	122.5°	127.0°
C8	C7	S	121.8°	127.1°
C7	C8	H4	109.5°	109.4°
C7	C8	H5	109.5°	109.5°
C7	C8	H6	109.5°	109.4°
C7	N3	N1	110.8°	119.5°
N3	C7	S	115.7°	105.9°
N3	N1	C5	125.0°	127.5°
N3	N1	C6	115.5°	114.9°
N1	C5	C4	113.6°	119.7°
C5	N1	C6	119.5°	117.6°
C5	C4	C3	121.3°	119.3°
C5	C4	H1	119.4°	120.3°
C7	S	C6	88.2°	94.3°
N1	C6	S	109.7°	105.5°
N1	C6	N2	127.5°	122.8°
C	C1	N	118.3°	109.5°
C	C1	H13	107.2°	109.4°
C	C1	H14	107.2°	109.5°
C1	C	H15	109.5°	109.5°
C1	C	H16	109.5°	109.4°
C1	C	H17	109.5°	109.5°
C4	C3	N2	122.7°	119.1°
C4	C3	C2	122.1°	120.5°
C3	C4	H1	119.4°	120.4°
S	C6	N2	122.7°	131.7°
C6	N2	C3	115.3°	121.4°
N2	C3	C2	115.2°	120.4°
C3	C2	N	117.2°	109.5°
C3	C2	H11	107.5°	109.5°
C3	C2	H12	107.5°	109.5°
C1	N	C2	115.3°	120.0°
C1	N	C9	122.1°	120.0°
N	C1	H13	107.2°	109.5°
N	C1	H14	107.2°	109.5°
C2	N	C9	121.6°	120.0°
N	C2	H11	107.5°	109.5°
N	C2	H12	107.5°	109.4°
N	C9	C14	120.5°	120.1°
N	C9	C10	120.8°	120.0°
C14	C9	C10	118.7°	119.9°
C9	C14	C13	120.2°	120.0°
C9	C14	H2	119.9°	120.0°
C9	C10	C11	120.1°	119.9°
C9	C10	H7	119.9°	120.1°
C14	C13	C12	120.4°	120.1°
C13	C14	H2	119.9°	120.0°
C14	C13	H9	119.8°	120.0°
C10	C11	C12	120.6°	120.1°
C10	C11	H3	119.7°	119.9°
C11	C10	H7	119.9°	120.1°
C13	C12	C11	119.9°	120.1°
C13	C12	H8	120.1°	120.0°
C12	C13	H9	119.8°	119.9°
C12	C11	H3	119.7°	120.0°
C11	C12	H8	120.1°	119.9°
H4	C8	H5	109.5°	109.5°
H4	C8	H6	109.4°	109.5°
H5	C8	H6	109.5°	109.5°
H11	C2	H12	109.5°	109.5°
H13	C1	H14	109.5°	109.5°
H15	C	H16	109.5°	109.4°
H15	C	H17	109.5°	109.5°
H16	C	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C5	N1	N3	5.1°	0.1°
O	C5	N1	C4	175.7°	179.9°
O	C5	N1	C6	173.8°	180.0°
O	C5	C4	C3	174.2°	180.0°
O	C5	C4	H1	5.8°	0.2°
C8	C7	N3	S	179.2°	179.8°
C8	C7	N3	N1	178.0°	180.0°
C8	C7	S	C6	179.1°	180.0°
C7	C8	H4	H5	120.0°	120.0°
C7	C8	H4	H6	120.0°	119.9°
C7	C8	H5	H6	120.0°	120.0°
C7	N3	N1	C5	176.8°	179.9°
C7	N3	N1	C6	2.1°	0.1°
N3	C7	S	C6	0.2°	0.1°
N3	C7	C8	H4	0.0°	179.8°
N3	C7	C8	H5	120.0°	59.8°
N3	C7	C8	H6	120.0°	60.2°
N3	N1	C5	C6	178.9°	179.9°
N3	N1	C5	C4	179.3°	179.9°
N1	N3	C7	S	1.3°	0.1°
N3	N1	C6	S	1.9°	0.1°
N3	N1	C6	N2	178.7°	179.7°
N1	C5	C4	C3	1.1°	0.0°
C5	N1	C6	S	177.1°	179.8°
C5	N1	C6	N2	2.4°	0.2°
N1	C5	C4	H1	178.9°	179.7°
C4	C5	N1	C6	1.9°	0.1°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	N2	0.6°	0.3°
C5	C4	C3	C2	177.7°	179.7°
C7	S	C6	N1	1.0°	0.1°
C7	S	C6	N2	179.6°	179.7°
S	C7	C8	H4	179.2°	0.1°
S	C7	C8	H5	60.8°	120.0°
S	C7	C8	H6	59.2°	120.0°
N1	C6	S	N2	179.4°	179.6°
N1	C6	N2	C3	1.7°	0.5°
C	C1	N	H13	121.2°	119.9°
C	C1	N	H14	121.3°	120.0°
C	C1	N	C2	107.2°	90.0°
C	C1	N	C9	83.8°	90.0°
C	C1	H13	H14	116.0°	120.0°
C1	C	H15	H16	120.0°	120.0°
C1	C	H15	H17	120.0°	120.0°
C1	C	H16	H17	120.0°	120.0°
C4	C3	N2	C6	0.8°	0.6°
C4	C3	N2	C2	178.4°	180.0°
C4	C3	C2	N	29.5°	114.9°
C4	C3	C2	H11	91.6°	125.0°
C4	C3	C2	H12	150.6°	5.0°
S	C6	N2	C3	177.7°	180.0°
C6	N2	C3	C2	177.6°	179.5°
N2	C3	C2	N	152.1°	65.0°
N2	C3	C4	H1	179.4°	180.0°
N2	C3	C2	H11	86.8°	55.0°
N2	C3	C2	H12	31.0°	175.0°
C3	C2	N	C1	120.6°	90.0°
C3	C2	N	H11	121.1°	120.0°
C3	C2	N	H12	121.1°	120.0°
C3	C2	N	C9	70.4°	90.0°
C2	C3	C4	H1	2.3°	0.0°
C3	C2	H11	H12	116.5°	120.0°
C1	N	C2	C9	169.0°	180.0°
C1	N	C9	C14	3.8°	0.0°
C1	N	C9	C10	176.2°	180.0°
C1	N	C2	H11	0.5°	150.0°
C1	N	C2	H12	118.3°	30.0°
N	C1	H13	H14	116.0°	120.1°
N	C1	C	H15	180.0°	180.0°
N	C1	C	H16	60.0°	60.0°
N	C1	C	H17	60.0°	60.0°
C2	N	C9	C14	172.1°	180.0°
C2	N	C9	C10	7.9°	0.0°
N	C2	H11	H12	116.5°	119.9°
C2	N	C1	H13	131.6°	150.0°
C2	N	C1	H14	14.1°	30.0°
N	C9	C14	C10	180.0°	180.0°
N	C9	C14	C13	177.9°	180.0°
N	C9	C10	C11	176.3°	179.9°
N	C9	C14	H2	2.1°	0.3°
N	C9	C10	H7	3.7°	0.0°
C9	N	C2	H11	168.5°	30.0°
C9	N	C2	H12	50.8°	150.0°
C9	N	C1	H13	37.4°	29.9°
C9	N	C1	H14	154.9°	150.0°
C9	C14	C13	H2	180.0°	179.7°
C14	C9	C10	C11	3.6°	0.0°
C9	C14	C13	C12	0.6°	0.3°
C14	C9	C10	H7	176.3°	179.9°
C9	C14	C13	H9	179.4°	179.7°
C10	C9	C14	C13	2.1°	0.0°
C9	C10	C11	H7	180.0°	179.9°
C9	C10	C11	C12	2.5°	0.2°
C10	C9	C14	H2	177.9°	179.7°
C9	C10	C11	H3	177.5°	179.7°
C14	C13	C12	H9	180.0°	180.0°
C14	C13	C12	C11	1.8°	0.6°
C14	C13	C12	H8	178.2°	179.4°
C10	C11	C12	C13	0.3°	0.5°
C10	C11	C12	H3	180.0°	179.4°
C10	C11	C12	H8	179.7°	179.5°
C13	C12	C11	H8	180.0°	180.0°
C12	C13	C14	H2	179.4°	180.0°
C13	C12	C11	H3	179.7°	180.0°
C12	C11	C10	H7	177.5°	179.7°
C11	C12	C13	H9	178.2°	179.5°
H2	C14	C13	H9	0.6°	0.0°
H3	C11	C10	H7	2.5°	0.2°
H3	C11	C12	H8	0.3°	0.0°
H4	C8	H5	H6	120.0°	120.0°
H8	C12	C13	H9	1.8°	0.5°
H13	C1	C	H15	58.7°	60.1°
H13	C1	C	H16	61.2°	180.0°
H13	C1	C	H17	178.8°	60.0°
H14	C1	C	H15	58.8°	60.0°
H14	C1	C	H16	178.7°	60.0°
H14	C1	C	H17	61.3°	180.0°
H15	C	H16	H17	120.0°	120.0°

Release date:	2016-02-24
Definition date:	2016-01-05
Last modified:	2016-02-19
Release status:	REL
Processing site:	RCSB
Derived from:	5H8H