7GY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N20	C18	sing	1.35Å	1.33Å
O19	C18	doub	1.22Å	1.24Å
C18	C17	sing	1.47Å	1.51Å
C17	N16	doub	1.32Å	1.34Å	Aromatic
C17	C12	sing	1.47Å	1.47Å	Aromatic
N16	N15	sing	1.28Å	1.37Å	Aromatic
C12	C11	doub	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.41Å	1.41Å	Aromatic
C11	C10	sing	1.36Å	1.39Å	Aromatic
N15	C13	sing	1.37Å	1.36Å	Aromatic
C13	C14	doub	1.39Å	1.39Å	Aromatic
C10	C9	doub	1.40Å	1.40Å	Aromatic
C14	C9	sing	1.39Å	1.40Å	Aromatic
C9	C8	sing	1.48Å	1.49Å
C7	C8	doub	1.39Å	1.40Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
C8	C3	sing	1.39Å	1.40Å	Aromatic
C6	C5	doub	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.51Å	1.51Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.53Å	1.51Å
C5	C4	sing	1.39Å	1.39Å	Aromatic
C5	O21	sing	1.36Å	1.37Å
C4	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
N15	H12	sing	0.97Å	1.00Å
N20	H13	sing	0.97Å	1.00Å
N20	H14	sing	0.97Å	1.00Å
O21	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N20	C18	O19	122.2°	120.0°
N20	C18	C17	117.4°	120.0°
C18	N20	H13	120.0°	120.1°
C18	N20	H14	120.0°	120.0°
O19	C18	C17	120.4°	120.1°
C18	C17	N16	125.8°	126.8°
C18	C17	C12	126.9°	126.8°
N16	C17	C12	107.3°	106.4°
C17	N16	N15	108.4°	112.0°
C17	C12	C11	135.6°	135.3°
C17	C12	C13	106.0°	104.3°
N16	N15	C13	111.9°	111.3°
N16	N15	H12	124.1°	124.4°
C11	C12	C13	118.3°	120.4°
C12	C11	C10	120.1°	119.8°
C12	C11	H10	119.9°	120.1°
C12	C13	N15	106.4°	106.0°
C12	C13	C14	121.7°	119.4°
C11	C10	C9	121.7°	120.4°
C11	C10	H9	119.2°	119.8°
C10	C11	H10	120.0°	120.1°
N15	C13	C14	132.0°	134.6°
C13	N15	H12	124.1°	124.4°
C13	C14	C9	119.6°	119.5°
C13	C14	H11	120.2°	120.3°
C10	C9	C14	118.6°	120.5°
C10	C9	C8	120.9°	119.8°
C9	C10	H9	119.2°	119.8°
C14	C9	C8	120.4°	119.7°
C9	C14	H11	120.2°	120.2°
C9	C8	C7	117.9°	120.1°
C9	C8	C3	123.1°	120.1°
C8	C7	C6	121.1°	120.0°
C7	C8	C3	118.9°	119.9°
C8	C7	H2	119.5°	120.0°
C7	C6	C5	119.8°	120.1°
C6	C7	H2	119.5°	120.0°
C7	C6	H3	120.1°	120.0°
C8	C3	C2	121.9°	120.0°
C8	C3	C4	119.4°	119.9°
C6	C5	C4	119.9°	120.1°
C6	C5	O21	120.2°	120.0°
C5	C6	H3	120.1°	119.9°
C2	C3	C4	118.6°	120.1°
C3	C2	C1	114.1°	109.5°
C3	C2	H7	108.3°	109.5°
C3	C2	H8	108.3°	109.5°
C3	C4	C5	120.8°	120.1°
C3	C4	H1	119.6°	120.0°
C2	C1	H4	109.5°	109.5°
C2	C1	H5	109.5°	109.5°
C2	C1	H6	109.4°	109.5°
C1	C2	H7	108.3°	109.4°
C1	C2	H8	108.3°	109.4°
C4	C5	O21	119.8°	119.9°
C5	C4	H1	119.6°	120.0°
C5	O21	H15	109.5°	114.0°
H4	C1	H5	109.5°	109.5°
H4	C1	H6	109.5°	109.5°
H5	C1	H6	109.5°	109.4°
H7	C2	H8	109.5°	109.5°
H13	N20	H14	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N20	C18	O19	C17	178.7°	180.0°
N20	C18	C17	N16	1.9°	0.0°
N20	C18	C17	C12	179.1°	180.0°
C18	N20	H13	H14	180.0°	180.0°
O19	C18	C17	N16	176.9°	180.0°
O19	C18	C17	C12	2.2°	0.0°
O19	C18	N20	H13	0.0°	180.0°
O19	C18	N20	H14	180.0°	0.0°
C18	C17	N16	C12	179.2°	180.0°
C18	C17	N16	N15	179.2°	179.9°
C18	C17	C12	C11	1.6°	0.0°
C18	C17	C12	C13	179.4°	180.0°
C17	C18	N20	H13	178.7°	0.0°
C17	C18	N20	H14	1.3°	180.0°
N16	C17	C12	C11	179.2°	180.0°
N16	C17	C12	C13	0.2°	0.0°
C17	N16	N15	C13	0.2°	0.1°
C17	N16	N15	H12	179.8°	179.5°
C12	C17	N16	N15	0.0°	0.1°
C17	C12	C11	C13	178.9°	180.0°
C17	C12	C11	C10	178.1°	180.0°
C17	C12	C13	N15	0.3°	0.1°
C17	C12	C13	C14	178.6°	179.8°
C17	C12	C11	H10	1.9°	0.0°
N16	N15	C13	C12	0.3°	0.2°
N16	N15	C13	H12	180.0°	179.7°
N16	N15	C13	C14	178.5°	179.7°
C12	C11	C10	H10	180.0°	180.0°
C11	C12	C13	N15	179.5°	179.9°
C11	C12	C13	C14	0.6°	0.3°
C12	C11	C10	C9	0.1°	0.0°
C12	C11	C10	H9	179.9°	180.0°
C13	C12	C11	C10	0.8°	0.0°
C12	C13	N15	C14	178.8°	179.6°
C12	C13	C14	C9	0.5°	0.5°
C13	C12	C11	H10	179.2°	180.0°
C12	C13	C14	H11	179.4°	179.9°
C12	C13	N15	H12	179.6°	179.5°
C11	C10	C9	H9	180.0°	180.0°
C11	C10	C9	C14	1.3°	0.2°
C11	C10	C9	C8	175.2°	180.0°
N15	C13	C14	C9	178.1°	180.0°
N15	C13	C14	H11	1.9°	0.4°
C13	C14	C9	C10	1.4°	0.5°
C13	C14	C9	H11	180.0°	179.6°
C13	C14	C9	C8	175.1°	179.8°
C14	C13	N15	H12	1.6°	0.1°
C10	C9	C14	C8	176.5°	179.8°
C10	C9	C8	C7	111.0°	123.1°
C10	C9	C8	C3	66.7°	57.1°
C9	C10	C11	H10	179.9°	180.0°
C10	C9	C14	H11	178.5°	180.0°
C14	C9	C8	C7	65.4°	56.7°
C14	C9	C8	C3	116.8°	123.1°
C14	C9	C10	H9	178.8°	179.8°
C9	C8	C7	C3	177.8°	179.8°
C9	C8	C7	C6	176.5°	180.0°
C9	C8	C3	C2	3.9°	0.2°
C9	C8	C3	C4	176.4°	179.7°
C9	C8	C7	H2	3.6°	0.1°
C8	C9	C10	H9	4.8°	0.0°
C8	C9	C14	H11	5.0°	0.2°
C8	C7	C6	H2	180.0°	179.9°
C8	C7	C6	C5	0.2°	0.2°
C7	C8	C3	C2	178.4°	180.0°
C7	C8	C3	C4	1.3°	0.1°
C8	C7	C6	H3	179.8°	179.9°
C6	C7	C8	C3	1.4°	0.2°
C7	C6	C5	H3	180.0°	179.8°
C7	C6	C5	C4	1.0°	0.0°
C7	C6	C5	O21	177.4°	179.9°
C8	C3	C2	C4	179.7°	179.9°
C8	C3	C2	C1	88.4°	79.6°
C8	C3	C4	C5	0.1°	0.3°
C8	C3	C4	H1	179.9°	180.0°
C3	C8	C7	H2	178.6°	179.7°
C8	C3	C2	H7	32.2°	40.4°
C8	C3	C2	H8	150.9°	160.4°
C6	C5	C4	C3	1.0°	0.2°
C6	C5	C4	O21	178.4°	179.9°
C6	C5	C4	H1	179.0°	180.0°
C5	C6	C7	H2	179.8°	179.7°
C6	C5	O21	H15	180.0°	89.9°
C3	C2	C1	H7	120.7°	120.0°
C3	C2	C1	H8	120.7°	120.1°
C2	C3	C4	C5	179.6°	179.8°
C2	C3	C4	H1	0.4°	0.1°
C3	C2	C1	H4	180.0°	176.6°
C3	C2	C1	H5	60.0°	63.3°
C3	C2	C1	H6	60.0°	56.6°
C3	C2	H7	H8	117.9°	120.1°
C4	C3	C2	C1	91.3°	100.3°
C3	C4	C5	H1	180.0°	179.7°
C3	C4	C5	O21	177.4°	179.7°
C4	C3	C2	H7	148.1°	139.7°
C4	C3	C2	H8	29.4°	19.6°
C2	C1	H4	H5	120.0°	120.0°
C2	C1	H4	H6	120.0°	120.0°
C2	C1	H5	H6	120.0°	120.0°
C1	C2	H7	H8	117.9°	119.9°
C4	C5	C6	H3	179.0°	179.7°
C4	C5	O21	H15	1.6°	90.0°
O21	C5	C4	H1	2.6°	0.0°
O21	C5	C6	H3	2.6°	0.3°
H2	C7	C6	H3	0.2°	0.0°
H4	C1	H5	H6	120.0°	119.9°
H4	C1	C2	H7	59.3°	63.3°
H4	C1	C2	H8	59.3°	56.6°
H5	C1	C2	H7	179.3°	56.7°
H5	C1	C2	H8	60.6°	176.6°
H6	C1	C2	H7	60.7°	176.6°
H6	C1	C2	H8	179.3°	63.5°
H9	C10	C11	H10	0.1°	0.0°

Release date:	2017-01-11
Definition date:	2016-10-24
Last modified:	2017-01-06
Release status:	REL
Processing site:	RCSB
Derived from:	5TQ4