GY4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.22Å	1.24Å
C16	C17	sing	1.55Å	1.52Å
C16	C15	sing	1.55Å	1.51Å
C1	N3	sing	1.35Å	1.38Å
C1	C2	sing	1.47Å	1.39Å
C17	C6	sing	1.54Å	1.54Å
N3	C5	sing	1.35Å	1.38Å
C15	N2	sing	1.47Å	1.47Å
O2	C2	sing	1.36Å	1.35Å
C2	C3	doub	1.39Å	1.37Å
C5	C6	sing	1.51Å	1.51Å
C5	N1	doub	1.30Å	1.33Å
C6	N2	sing	1.47Å	1.47Å
N2	C7	sing	1.35Å	1.34Å
C3	N1	sing	1.35Å	1.34Å
C3	C4	sing	1.48Å	1.51Å
O3	C4	doub	1.21Å	1.25Å
C8	C7	sing	1.51Å	1.51Å
C8	C9	sing	1.51Å	1.50Å
C7	O5	doub	1.21Å	1.22Å
C4	O4	sing	1.35Å	1.26Å
C9	C10	doub	1.38Å	1.38Å	Aromatic
C9	C14	sing	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C14	C13	doub	1.38Å	1.37Å	Aromatic
C11	C12	doub	1.38Å	1.37Å	Aromatic
C13	C12	sing	1.38Å	1.37Å	Aromatic
C12	CL1	sing	1.74Å	1.74Å
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C16	H7	sing	1.09Å	1.10Å
C16	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
N3	H14	sing	0.97Å	1.00Å
O2	H15	sing	0.97Å	0.95Å
O4	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	N3	119.9°	121.0°
O1	C1	C2	123.4°	121.0°
C17	C16	C15	101.8°	101.6°
C16	C17	C6	102.7°	102.9°
C17	C16	H7	111.4°	111.0°
C17	C16	H8	111.4°	111.0°
C16	C17	H9	111.1°	110.7°
C16	C17	H10	111.1°	110.7°
C16	C15	N2	102.0°	104.8°
C16	C15	H5	111.3°	110.4°
C16	C15	H6	111.3°	110.5°
C15	C16	H7	111.3°	111.0°
C15	C16	H8	111.4°	111.0°
N3	C1	C2	116.7°	117.9°
C1	N3	C5	121.3°	120.1°
C1	N3	H14	119.3°	119.9°
C1	C2	O2	115.9°	121.1°
C1	C2	C3	119.2°	117.7°
C17	C6	C5	114.8°	109.9°
C17	C6	N2	101.6°	107.3°
C6	C17	H9	111.1°	110.7°
C6	C17	H10	111.1°	110.7°
C17	C6	H11	109.6°	109.9°
N3	C5	C6	122.9°	118.8°
N3	C5	N1	120.8°	122.6°
C5	N3	H14	119.4°	119.9°
C15	N2	C6	112.5°	108.7°
C15	N2	C7	125.7°	125.6°
N2	C15	H5	111.3°	110.3°
N2	C15	H6	111.3°	110.3°
O2	C2	C3	124.9°	121.2°
C2	O2	H15	109.5°	114.0°
C2	C3	N1	122.9°	119.5°
C2	C3	C4	122.0°	120.2°
C6	C5	N1	116.3°	118.7°
C5	C6	N2	110.2°	109.9°
C5	C6	H11	109.9°	109.8°
C5	N1	C3	119.1°	122.2°
C6	N2	C7	121.7°	125.6°
N2	C6	H11	110.5°	110.0°
N2	C7	C8	116.4°	120.0°
N2	C7	O5	121.1°	120.0°
N1	C3	C4	115.1°	120.3°
C3	C4	O3	116.7°	120.0°
C3	C4	O4	116.6°	119.9°
O3	C4	O4	126.6°	120.1°
C7	C8	C9	108.5°	109.5°
C8	C7	O5	122.5°	120.0°
C7	C8	H12	109.7°	109.5°
C7	C8	H13	109.7°	109.4°
C8	C9	C10	121.0°	120.0°
C8	C9	C14	120.5°	120.0°
C9	C8	H12	109.7°	109.5°
C9	C8	H13	109.7°	109.4°
C4	O4	H16	109.5°	117.0°
C10	C9	C14	118.5°	120.0°
C9	C10	C11	121.2°	120.0°
C9	C10	H1	119.4°	120.0°
C9	C14	C13	121.2°	120.0°
C9	C14	H4	119.4°	120.0°
C10	C11	C12	118.5°	120.0°
C11	C10	H1	119.4°	120.0°
C10	C11	H2	120.8°	120.0°
C14	C13	C12	119.0°	120.0°
C14	C13	H3	120.5°	120.0°
C13	C14	H4	119.4°	120.0°
C11	C12	C13	121.6°	119.9°
C11	C12	CL1	119.6°	120.0°
C12	C11	H2	120.8°	120.0°
C13	C12	CL1	118.8°	120.0°
C12	C13	H3	120.5°	120.0°
H5	C15	H6	109.5°	110.4°
H7	C16	H8	109.5°	110.9°
H9	C17	H10	109.5°	110.8°
H12	C8	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N3	C2	179.9°	179.7°
O1	C1	N3	C5	179.9°	179.7°
O1	C1	C2	O2	0.2°	0.3°
O1	C1	C2	C3	179.4°	179.7°
O1	C1	N3	H14	0.1°	0.3°
C17	C16	C15	H7	118.8°	118.1°
C17	C16	C15	H8	118.8°	118.1°
C16	C17	C6	H9	118.9°	118.4°
C16	C17	C6	H10	118.9°	118.4°
C17	C16	C15	N2	38.2°	37.0°
C16	C17	C6	C5	86.9°	141.7°
C16	C17	C6	N2	32.0°	22.2°
C17	C16	C15	H5	157.0°	81.8°
C17	C16	C15	H6	80.6°	155.9°
C17	C16	H7	H8	123.6°	123.9°
C16	C17	H9	H10	123.1°	123.2°
C16	C17	C6	H11	148.8°	97.4°
C15	C16	C17	C6	44.1°	35.5°
C16	C15	N2	H5	118.8°	118.9°
C16	C15	N2	H6	118.8°	119.0°
C16	C15	N2	C6	18.8°	24.1°
C16	C15	N2	C7	157.9°	155.9°
C16	C15	H5	H6	123.5°	122.4°
C15	C16	H7	H8	123.6°	123.9°
C15	C16	C17	H9	74.8°	153.9°
C15	C16	C17	H10	163.0°	82.8°
C1	N3	C5	H14	180.0°	179.9°
N3	C1	C2	O2	179.8°	180.0°
N3	C1	C2	C3	0.7°	0.0°
C1	N3	C5	C6	180.0°	180.0°
C1	N3	C5	N1	0.6°	0.1°
C2	C1	N3	C5	0.0°	0.1°
C1	C2	O2	C3	179.1°	180.0°
C1	C2	C3	N1	0.8°	0.0°
C1	C2	C3	C4	178.1°	180.0°
C2	C1	N3	H14	180.0°	180.0°
C1	C2	O2	H15	179.6°	0.0°
C17	C6	C5	N3	72.9°	56.4°
C17	C6	N2	C15	8.3°	1.1°
C17	C6	C5	N2	113.9°	117.8°
C17	C6	C5	H11	124.1°	121.0°
C17	C6	C5	N1	107.6°	123.6°
C17	C6	N2	H11	116.2°	119.5°
C17	C6	N2	C7	174.9°	179.0°
C6	C17	C16	H7	74.6°	82.6°
C6	C17	C16	H8	162.9°	153.6°
C6	C17	H9	H10	123.1°	123.3°
N3	C5	C6	N1	179.5°	180.0°
N3	C5	C6	N2	41.0°	174.3°
N3	C5	N1	C3	0.4°	0.0°
N3	C5	C6	H11	163.1°	64.5°
C15	N2	C6	C5	113.9°	118.4°
C15	N2	C6	C7	176.9°	180.0°
C15	N2	C7	C8	2.6°	0.0°
C15	N2	C7	O5	178.8°	180.0°
N2	C15	H5	H6	123.5°	122.2°
N2	C15	C16	H7	80.6°	81.1°
N2	C15	C16	H8	156.9°	155.1°
C15	N2	C6	H11	124.4°	120.5°
O2	C2	C3	N1	179.9°	180.0°
O2	C2	C3	C4	1.0°	0.0°
C2	C3	N1	C5	0.3°	0.0°
C2	C3	N1	C4	179.0°	180.0°
C2	C3	C4	O3	5.2°	0.0°
C2	C3	C4	O4	171.6°	179.9°
C3	C2	O2	H15	1.3°	180.0°
C5	C6	N2	H11	121.7°	121.1°
C5	C6	N2	C7	63.0°	61.6°
C6	C5	N1	C3	179.9°	180.0°
C5	C6	C17	H9	154.2°	100.0°
C5	C6	C17	H10	32.0°	23.3°
C6	C5	N3	H14	0.0°	0.0°
N1	C5	C6	N2	138.4°	5.7°
C5	N1	C3	C4	178.7°	180.0°
N1	C5	C6	H11	16.4°	115.5°
N1	C5	N3	H14	179.4°	180.0°
C6	N2	C7	C8	173.9°	179.9°
C6	N2	C7	O5	4.7°	0.0°
C6	N2	C15	H5	137.6°	94.7°
C6	N2	C15	H6	99.9°	143.1°
N2	C6	C17	H9	87.0°	140.6°
N2	C6	C17	H10	150.9°	96.2°
N2	C7	C8	O5	178.6°	179.9°
N2	C7	C8	C9	136.2°	180.0°
C7	N2	C15	H5	39.1°	85.3°
C7	N2	C15	H6	83.3°	36.9°
C7	N2	C6	H11	58.7°	59.5°
N2	C7	C8	H12	103.9°	60.0°
N2	C7	C8	H13	16.4°	60.1°
N1	C3	C4	O3	175.8°	180.0°
N1	C3	C4	O4	7.4°	0.0°
C3	C4	O3	O4	176.4°	179.9°
C3	C4	O4	H16	176.4°	180.0°
O3	C4	O4	H16	0.0°	0.1°
C7	C8	C9	H12	119.9°	120.0°
C7	C8	C9	H13	119.9°	119.9°
C7	C8	C9	C10	69.1°	90.0°
C7	C8	C9	C14	109.5°	89.4°
C7	C8	H12	H13	120.4°	120.0°
C9	C8	C7	O5	45.2°	0.0°
C8	C9	C10	C14	178.6°	179.5°
C8	C9	C10	C11	179.3°	180.0°
C8	C9	C14	C13	179.1°	180.0°
C8	C9	C10	H1	0.7°	0.3°
C8	C9	C14	H4	0.8°	0.3°
C9	C8	H12	H13	120.4°	120.0°
O5	C7	C8	H12	74.6°	120.0°
O5	C7	C8	H13	165.1°	120.0°
C9	C10	C11	H1	180.0°	179.7°
C10	C9	C14	C13	0.5°	0.6°
C9	C10	C11	C12	0.4°	0.3°
C9	C10	C11	H2	179.6°	179.7°
C10	C9	C14	H4	179.5°	179.7°
C10	C9	C8	H12	171.0°	30.0°
C10	C9	C8	H13	50.7°	150.1°
C14	C9	C10	C11	0.6°	0.5°
C9	C14	C13	H4	180.0°	179.7°
C9	C14	C13	C12	0.1°	0.3°
C14	C9	C10	H1	179.4°	179.7°
C9	C14	C13	H3	179.9°	179.7°
C14	C9	C8	H12	10.4°	150.5°
C14	C9	C8	H13	130.6°	30.5°
C10	C11	C12	H2	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.0°
C10	C11	C12	CL1	180.0°	180.0°
C14	C13	C12	C11	0.2°	0.0°
C14	C13	C12	H3	180.0°	180.0°
C14	C13	C12	CL1	179.9°	180.0°
C11	C12	C13	CL1	179.9°	180.0°
C12	C11	C10	H1	179.6°	180.0°
C11	C12	C13	H3	179.8°	180.0°
C13	C12	C11	H2	179.9°	180.0°
C12	C13	C14	H4	179.9°	180.0°
CL1	C12	C11	H2	0.0°	0.0°
CL1	C12	C13	H3	0.1°	0.0°
H1	C10	C11	H2	0.4°	0.0°
H3	C13	C14	H4	0.1°	0.0°
H5	C15	C16	H7	38.2°	160.1°
H5	C15	C16	H8	84.3°	36.3°
H6	C15	C16	H7	160.6°	37.7°
H6	C15	C16	H8	38.1°	86.1°
H7	C16	C17	H9	166.5°	35.8°
H7	C16	C17	H10	44.3°	159.0°
H8	C16	C17	H9	44.0°	88.0°
H8	C16	C17	H10	78.2°	35.2°
H9	C17	C6	H11	29.9°	21.0°
H10	C17	C6	H11	92.2°	144.2°

Release date:	2018-01-03
Definition date:	2017-07-11
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	5WCT