8Y4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	N17	sing	1.47Å	1.45Å
N19	C11	sing	1.37Å	1.37Å
N16	C11	doub	1.31Å	1.29Å
N16	C8	sing	1.34Å	1.33Å
N17	C8	sing	1.37Å	1.36Å	Aromatic
N17	C9	sing	1.37Å	1.37Å	Aromatic
C11	N18	sing	1.36Å	1.40Å
C8	C7	doub	1.40Å	1.36Å	Aromatic
S23	C9	sing	1.76Å	1.73Å
S23	C14	sing	1.81Å	1.82Å
C9	N15	doub	1.31Å	1.32Å	Aromatic
N18	C10	sing	1.35Å	1.37Å
C7	N15	sing	1.36Å	1.37Å	Aromatic
C7	C10	sing	1.41Å	1.42Å
C10	O21	doub	1.22Å	1.22Å
C14	C12	sing	1.51Å	1.51Å
C12	O22	doub	1.21Å	1.23Å
C12	N20	sing	1.35Å	1.39Å
N20	C6	sing	1.40Å	1.42Å
C4	C6	doub	1.39Å	1.38Å	Aromatic
C4	C2	sing	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.39Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.38Å	Aromatic
C5	C3	doub	1.38Å	1.38Å	Aromatic
C1	C3	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
N18	H11	sing	0.97Å	1.00Å
N19	H12	sing	0.97Å	1.00Å
N19	H13	sing	0.97Å	1.00Å
N20	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	N17	C8	125.2°	126.2°
C13	N17	C9	128.0°	126.3°
N17	C13	H6	109.5°	109.5°
N17	C13	H7	109.4°	109.4°
N17	C13	H8	109.5°	109.4°
N19	C11	N16	121.3°	119.0°
N19	C11	N18	115.7°	119.1°
C11	N19	H12	120.0°	120.0°
C11	N19	H13	120.0°	120.0°
C11	N16	C8	112.8°	121.1°
N16	C11	N18	122.9°	121.9°
N16	C8	N17	126.1°	134.1°
N16	C8	C7	128.8°	119.7°
C8	N17	C9	106.8°	107.5°
N17	C8	C7	105.1°	106.2°
N17	C9	S23	120.8°	125.2°
N17	C9	N15	112.5°	109.6°
C11	N18	C10	125.8°	120.3°
C11	N18	H11	117.1°	119.9°
C8	C7	N15	112.2°	107.4°
C8	C7	C10	119.4°	118.6°
C9	S23	C14	103.1°	100.0°
S23	C9	N15	126.7°	125.2°
S23	C14	C12	110.4°	109.4°
S23	C14	H9	109.2°	109.5°
S23	C14	H10	109.2°	109.5°
C9	N15	C7	103.4°	109.3°
N18	C10	C7	110.3°	118.4°
N18	C10	O21	124.6°	120.8°
C10	N18	H11	117.1°	119.8°
N15	C7	C10	128.4°	134.0°
C7	C10	O21	125.1°	120.8°
C14	C12	O22	123.2°	120.0°
C14	C12	N20	109.8°	119.9°
C12	C14	H9	109.2°	109.5°
C12	C14	H10	109.2°	109.5°
O22	C12	N20	126.9°	120.0°
C12	N20	C6	125.6°	119.9°
C12	N20	H14	117.2°	120.1°
N20	C6	C4	123.4°	120.1°
N20	C6	C5	117.8°	120.0°
C6	N20	H14	117.2°	120.0°
C6	C4	C2	120.6°	120.0°
C4	C6	C5	118.9°	119.8°
C6	C4	H4	119.7°	120.0°
C4	C2	C1	120.1°	120.1°
C4	C2	H2	120.0°	120.0°
C2	C4	H4	119.7°	120.1°
C6	C5	C3	120.5°	119.9°
C6	C5	H5	119.7°	120.0°
C2	C1	C3	119.7°	120.2°
C2	C1	H1	120.1°	119.9°
C1	C2	H2	120.0°	120.0°
C5	C3	C1	120.2°	120.0°
C5	C3	H3	119.9°	120.0°
C3	C5	H5	119.7°	120.0°
C3	C1	H1	120.1°	119.9°
C1	C3	H3	119.9°	120.0°
H6	C13	H7	109.5°	109.5°
H6	C13	H8	109.5°	109.5°
H7	C13	H8	109.5°	109.5°
H9	C14	H10	109.5°	109.5°
H12	N19	H13	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	N17	C8	N16	0.7°	0.0°
C13	N17	C8	C9	178.9°	179.7°
C13	N17	C8	C7	179.1°	179.9°
C13	N17	C9	S23	1.4°	0.3°
C13	N17	C9	N15	179.3°	179.9°
N17	C13	H6	H7	120.0°	120.0°
N17	C13	H6	H8	120.0°	120.0°
N17	C13	H7	H8	120.0°	119.9°
N19	C11	N16	N18	179.1°	179.8°
N19	C11	N16	C8	180.0°	179.9°
N19	C11	N18	C10	180.0°	180.0°
N19	C11	N18	H11	0.0°	0.1°
C11	N19	H12	H13	180.0°	180.0°
C11	N16	C8	N17	179.4°	180.0°
C11	N16	C8	C7	0.3°	0.0°
N16	C11	N18	C10	0.9°	0.2°
N16	C11	N18	H11	179.1°	180.0°
N16	C11	N19	H12	0.0°	179.8°
N16	C11	N19	H13	180.0°	0.1°
N16	C8	N17	C7	179.8°	180.0°
N16	C8	N17	C9	179.5°	179.7°
C8	N16	C11	N18	0.9°	0.2°
N16	C8	C7	N15	179.9°	180.0°
N16	C8	C7	C10	0.3°	0.3°
C8	N17	C9	S23	179.8°	180.0°
C8	N17	C9	N15	0.5°	0.5°
N17	C8	C7	N15	0.1°	0.0°
N17	C8	C7	C10	179.9°	179.8°
C8	N17	C13	H6	180.0°	90.0°
C8	N17	C13	H7	60.0°	150.0°
C8	N17	C13	H8	60.0°	30.0°
C9	N17	C8	C7	0.2°	0.3°
N17	C9	S23	N15	179.1°	179.5°
N17	C9	S23	C14	171.9°	179.4°
N17	C9	N15	C7	0.6°	0.4°
C9	N17	C13	H6	1.4°	89.6°
C9	N17	C13	H7	121.4°	30.4°
C9	N17	C13	H8	118.6°	150.4°
C11	N18	C10	H11	180.0°	179.9°
C11	N18	C10	C7	0.2°	0.1°
C11	N18	C10	O21	179.6°	179.8°
N18	C11	N19	H12	179.1°	0.0°
N18	C11	N19	H13	0.9°	180.0°
C8	C7	N15	C9	0.4°	0.3°
C8	C7	C10	N18	0.4°	0.3°
C8	C7	N15	C10	179.7°	179.7°
C8	C7	C10	O21	179.0°	179.6°
S23	C9	N15	C7	179.8°	180.0°
C9	S23	C14	C12	98.2°	180.0°
C9	S23	C14	H9	141.6°	60.0°
C9	S23	C14	H10	21.9°	60.0°
C14	S23	C9	N15	9.0°	0.1°
S23	C14	C12	H9	120.2°	120.0°
S23	C14	C12	H10	120.1°	120.0°
S23	C14	C12	O22	29.9°	0.0°
S23	C14	C12	N20	149.9°	180.0°
S23	C14	H9	H10	119.6°	120.0°
C9	N15	C7	C10	179.8°	180.0°
N18	C10	C7	N15	179.9°	180.0°
N18	C10	C7	O21	179.4°	180.0°
N15	C7	C10	O21	0.7°	0.1°
C7	C10	N18	H11	179.8°	179.7°
O21	C10	N18	H11	0.4°	0.3°
C14	C12	O22	N20	179.8°	180.0°
C14	C12	N20	C6	169.9°	174.7°
C12	C14	H9	H10	119.5°	120.0°
C14	C12	N20	H14	10.1°	5.3°
O22	C12	N20	C6	9.9°	5.3°
O22	C12	C14	H9	150.1°	120.0°
O22	C12	C14	H10	90.2°	120.0°
O22	C12	N20	H14	170.1°	174.8°
C12	N20	C6	H14	180.0°	180.0°
C12	N20	C6	C4	31.5°	33.3°
C12	N20	C6	C5	149.2°	146.9°
N20	C12	C14	H9	29.7°	60.0°
N20	C12	C14	H10	90.0°	60.0°
N20	C6	C4	C5	179.3°	179.8°
N20	C6	C4	C2	179.6°	180.0°
N20	C6	C5	C3	179.8°	179.8°
N20	C6	C4	H4	0.4°	0.2°
N20	C6	C5	H5	0.2°	0.3°
C6	C4	C2	H4	180.0°	179.8°
C6	C4	C2	C1	0.1°	0.0°
C4	C6	C5	C3	0.5°	0.5°
C6	C4	C2	H2	179.9°	179.9°
C4	C6	C5	H5	179.5°	179.9°
C4	C6	N20	H14	148.5°	146.7°
C2	C4	C6	C5	0.2°	0.2°
C4	C2	C1	H2	180.0°	179.9°
C4	C2	C1	C3	0.2°	0.1°
C4	C2	C1	H1	179.8°	179.7°
C6	C5	C3	H5	180.0°	179.5°
C6	C5	C3	C1	0.4°	0.5°
C6	C5	C3	H3	179.7°	179.5°
C5	C6	C4	H4	179.8°	180.0°
C5	C6	N20	H14	30.8°	33.1°
C2	C1	C3	C5	0.0°	0.3°
C2	C1	C3	H1	180.0°	179.6°
C2	C1	C3	H3	180.0°	179.7°
C1	C2	C4	H4	179.9°	179.8°
C5	C3	C1	H3	180.0°	180.0°
C5	C3	C1	H1	179.9°	179.9°
C3	C1	C2	H2	179.8°	180.0°
C1	C3	C5	H5	179.6°	180.0°
H1	C1	C2	H2	0.2°	0.4°
H1	C1	C3	H3	0.0°	0.1°
H2	C2	C4	H4	0.1°	0.3°
H3	C3	C5	H5	0.4°	0.0°
H6	C13	H7	H8	120.0°	120.1°

Release date:	2017-12-06
Definition date:	2017-03-20
Last modified:	2017-12-01
Release status:	REL
Processing site:	RCSB
Derived from:	5V79