Y5N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	CL1	sing	1.74Å	1.73Å
C2	C1	doub	1.38Å	1.37Å	Aromatic
C3	C2	sing	1.38Å	1.37Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.39Å	1.39Å	Aromatic
C5	N	sing	1.40Å	1.40Å
CA	N	sing	1.47Å	1.45Å
C	CA	sing	1.53Å	1.53Å
C	C8	sing	1.51Å	1.50Å
C9	C8	doub	1.38Å	1.38Å	Aromatic
C10	C9	sing	1.38Å	1.38Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.37Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
CB	CA	sing	1.51Å	1.51Å
CG	CB	doub	1.39Å	1.38Å	Aromatic
CD	CG	sing	1.39Å	1.38Å	Aromatic
C17	CB	sing	1.38Å	1.39Å	Aromatic
C17	NZ	doub	1.32Å	1.34Å	Aromatic
CE	NZ	sing	1.32Å	1.32Å	Aromatic
CE	CL2	sing	1.74Å	1.74Å
C19	C5	doub	1.39Å	1.39Å	Aromatic
C19	C1	sing	1.38Å	1.38Å	Aromatic
C13	C8	sing	1.38Å	1.39Å	Aromatic
CD	CE	doub	1.38Å	1.37Å	Aromatic
C4	H3	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C13	H12	sing	1.08Å	1.08Å
C17	H15	sing	1.08Å	1.08Å
C2	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
N	H4	sing	0.97Å	1.00Å
CA	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
CG	H13	sing	1.08Å	1.08Å
CD	H14	sing	1.08Å	1.08Å
C19	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C1	C2	119.0°	120.0°
CL1	C1	C19	118.9°	119.9°
C1	C2	C3	119.0°	120.1°
C2	C1	C19	122.1°	120.1°
C1	C2	H1	120.5°	119.9°
C2	C3	C4	120.2°	120.1°
C3	C2	H1	120.5°	120.0°
C2	C3	H2	119.9°	120.0°
C3	C4	C5	120.3°	120.0°
C3	C4	H3	119.8°	120.0°
C4	C3	H2	119.9°	120.0°
C4	C5	N	119.8°	120.1°
C4	C5	C19	119.5°	119.8°
C5	C4	H3	119.8°	120.0°
C5	N	CA	123.4°	120.0°
N	C5	C19	120.8°	120.1°
C5	N	H4	105.9°	120.0°
N	CA	C	108.4°	109.4°
N	CA	CB	113.9°	109.4°
CA	N	H4	105.9°	120.0°
N	CA	H5	109.0°	109.4°
CA	C	C8	112.8°	109.5°
C	CA	CB	109.2°	109.5°
C	CA	H5	108.0°	109.5°
CA	C	H6	108.6°	109.4°
CA	C	H7	108.7°	109.5°
C	C8	C9	120.8°	120.0°
C	C8	C13	120.8°	120.0°
C8	C	H6	108.6°	109.5°
C8	C	H7	108.6°	109.5°
C8	C9	C10	120.5°	120.0°
C9	C8	C13	118.4°	120.0°
C8	C9	H8	119.8°	120.0°
C9	C10	C11	120.3°	120.0°
C9	C10	H9	119.8°	120.0°
C10	C9	H8	119.8°	120.0°
C10	C11	C12	120.0°	120.0°
C11	C10	H9	119.8°	120.0°
C10	C11	H10	120.0°	120.0°
C11	C12	C13	119.9°	120.0°
C12	C11	H10	120.0°	120.0°
C11	C12	H11	120.1°	120.0°
C12	C13	C8	120.9°	120.0°
C12	C13	H12	119.5°	120.0°
C13	C12	H11	120.0°	120.0°
CA	CB	CG	121.8°	120.4°
CA	CB	C17	121.5°	120.4°
CB	CA	H5	108.2°	109.5°
CB	CG	CD	120.7°	118.4°
CG	CB	C17	116.7°	119.2°
CB	CG	H13	119.6°	120.7°
CG	CD	CE	116.9°	119.2°
CD	CG	H13	119.7°	120.8°
CG	CD	H14	121.5°	120.5°
CB	C17	NZ	124.2°	120.8°
CB	C17	H15	117.9°	119.6°
C17	NZ	CE	116.2°	121.7°
NZ	C17	H15	117.9°	119.6°
NZ	CE	CL2	116.3°	119.7°
NZ	CE	CD	125.2°	120.7°
CL2	CE	CD	118.5°	119.6°
C5	C19	C1	118.8°	119.9°
C5	C19	H16	120.6°	120.0°
C1	C19	H16	120.6°	120.1°
C8	C13	H12	119.6°	120.0°
CE	CD	H14	121.6°	120.4°
H6	C	H7	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C1	C2	C19	179.9°	179.3°
CL1	C1	C2	C3	179.2°	180.0°
CL1	C1	C19	C5	179.4°	179.7°
CL1	C1	C2	H1	0.8°	0.0°
CL1	C1	C19	H16	0.6°	0.2°
C1	C2	C3	H1	180.0°	180.0°
C1	C2	C3	C4	1.0°	0.4°
C2	C1	C19	C5	0.5°	0.4°
C1	C2	C3	H2	179.0°	179.5°
C2	C1	C19	H16	179.5°	179.5°
C2	C3	C4	H2	180.0°	180.0°
C2	C3	C4	C5	1.1°	0.1°
C3	C2	C1	C19	0.7°	0.7°
C2	C3	C4	H3	178.9°	179.7°
C3	C4	C5	H3	180.0°	179.6°
C3	C4	C5	N	179.8°	179.7°
C3	C4	C5	C19	1.0°	0.4°
C4	C3	C2	H1	179.0°	179.5°
C4	C5	N	C19	179.3°	179.9°
C4	C5	N	CA	173.0°	180.0°
C4	C5	C19	C1	0.6°	0.1°
C5	C4	C3	H2	178.8°	179.9°
C4	C5	N	H4	65.0°	0.0°
C4	C5	C19	H16	179.4°	180.0°
C5	N	CA	H4	121.9°	180.0°
C5	N	CA	C	158.1°	155.0°
C5	N	CA	CB	80.1°	85.0°
N	C5	C19	C1	179.9°	180.0°
N	C5	C4	H3	0.2°	0.1°
C5	N	CA	H5	40.8°	35.0°
N	C5	C19	H16	0.1°	0.0°
N	CA	C	CB	124.6°	120.0°
N	CA	C	H5	117.9°	120.0°
N	CA	C	C8	80.2°	65.0°
N	CA	CB	H5	121.3°	119.9°
N	CA	CB	CG	154.0°	140.1°
N	CA	CB	C17	27.3°	40.1°
CA	N	C5	C19	6.2°	0.0°
N	CA	C	H6	40.3°	175.0°
N	CA	C	H7	159.3°	55.0°
CA	C	C8	H6	120.5°	119.9°
CA	C	C8	H7	120.5°	120.0°
CA	C	C8	C9	95.0°	89.7°
C	CA	CB	H5	117.3°	120.1°
C	CA	CB	CG	84.6°	100.0°
C	CA	CB	C17	94.1°	79.9°
CA	C	C8	C13	85.1°	90.1°
C	CA	N	H4	36.1°	25.0°
CA	C	H6	H7	118.5°	120.0°
C	C8	C9	C13	179.9°	179.7°
C	C8	C9	C10	179.3°	179.7°
C	C8	C13	C12	179.2°	180.0°
C8	C	CA	CB	155.1°	175.0°
C	C8	C13	H12	0.8°	0.0°
C8	C	CA	H5	37.7°	54.9°
C8	C	H6	H7	118.4°	120.1°
C	C8	C9	H8	0.7°	0.3°
C8	C9	C10	H8	180.0°	180.0°
C8	C9	C10	C11	0.9°	0.5°
C9	C8	C13	C12	0.7°	0.2°
C8	C9	C10	H9	179.1°	180.0°
C9	C8	C13	H12	179.3°	179.7°
C9	C8	C	H6	25.5°	30.2°
C9	C8	C	H7	144.4°	150.3°
C9	C10	C11	H9	180.0°	179.4°
C9	C10	C11	C12	1.4°	0.8°
C10	C9	C8	C13	0.5°	0.0°
C9	C10	C11	H10	178.6°	180.0°
C10	C11	C12	H10	180.0°	179.1°
C10	C11	C12	C13	1.6°	0.6°
C11	C10	C9	H8	179.1°	179.5°
C10	C11	C12	H11	178.4°	180.0°
C11	C12	C13	H11	180.0°	179.4°
C11	C12	C13	C8	1.2°	0.1°
C12	C11	C10	H9	178.6°	179.7°
C11	C12	C13	H12	178.8°	180.0°
C12	C13	C8	H12	180.0°	180.0°
C13	C12	C11	H10	178.4°	179.7°
CA	CB	CG	C17	178.8°	179.9°
CA	CB	CG	CD	179.1°	179.9°
CA	CB	C17	NZ	179.0°	179.9°
CA	CB	C17	H15	1.0°	0.2°
CB	CA	N	H4	158.0°	95.1°
CB	CA	C	H6	84.4°	55.0°
CB	CA	C	H7	34.6°	65.0°
CA	CB	CG	H13	0.8°	0.1°
CB	CG	CD	H13	180.0°	180.0°
CG	CB	C17	NZ	0.3°	0.1°
CB	CG	CD	CE	0.6°	0.0°
CG	CB	C17	H15	179.7°	179.7°
CG	CB	CA	H5	32.7°	20.1°
CB	CG	CD	H14	179.5°	180.0°
CD	CG	CB	C17	0.4°	0.0°
CG	CD	CE	NZ	0.7°	0.0°
CG	CD	CE	CL2	179.1°	180.0°
CG	CD	CE	H14	180.0°	180.0°
CB	C17	NZ	H15	180.0°	179.8°
CB	C17	NZ	CE	0.3°	0.0°
C17	CB	CA	H5	148.6°	160.0°
C17	CB	CG	H13	179.6°	180.0°
C17	NZ	CE	CL2	179.3°	180.0°
C17	NZ	CE	CD	0.5°	0.0°
NZ	CE	CL2	CD	179.8°	180.0°
CE	NZ	C17	H15	179.7°	179.7°
NZ	CE	CD	H14	179.4°	180.0°
CL2	CE	CD	H14	0.8°	0.0°
C5	C19	C1	H16	180.0°	179.9°
C19	C5	C4	H3	179.1°	180.0°
C19	C5	N	H4	115.7°	180.0°
C19	C1	C2	H1	179.2°	179.3°
C13	C8	C	H6	154.4°	150.1°
C13	C8	C	H7	35.4°	30.0°
C13	C8	C9	H8	179.5°	180.0°
C8	C13	C12	H11	178.8°	179.5°
CE	CD	CG	H13	179.4°	180.0°
H3	C4	C3	H2	1.2°	0.3°
H9	C10	C9	H8	0.9°	0.0°
H9	C10	C11	H10	1.4°	0.6°
H12	C13	C12	H11	1.2°	0.5°
H1	C2	C3	H2	1.1°	0.5°
H4	N	CA	H5	81.1°	145.0°
H5	CA	C	H6	158.2°	65.0°
H5	CA	C	H7	82.8°	175.0°
H10	C11	C12	H11	1.6°	0.8°
H13	CG	CD	H14	0.6°	0.0°

Release date:	2024-01-17
Definition date:	2023-11-21
Last modified:	2024-01-12
Release status:	REL
Processing site:	PDBE
Derived from:	8R5R