4N7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C3	doub	1.38Å	1.41Å	Aromatic
C6	C8	sing	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.40Å	1.41Å	Aromatic
O1	C1	doub	1.22Å	1.24Å
C10	C8	sing	1.51Å	1.51Å
C8	C5	doub	1.38Å	1.41Å	Aromatic
CG	CD	sing	1.55Å	1.49Å
CG	CB	sing	1.55Å	1.49Å
C2	C1	sing	1.48Å	1.50Å
C2	C21	doub	1.40Å	1.39Å	Aromatic
CD	N	sing	1.47Å	1.42Å
C1	C4	sing	1.41Å	1.47Å
CB	CA	sing	1.54Å	1.52Å
C5	C21	sing	1.38Å	1.37Å	Aromatic
N	CA	sing	1.47Å	1.46Å
N	C7	sing	1.37Å	1.35Å
C4	C7	doub	1.38Å	1.38Å
CA	C	sing	1.51Å	1.55Å
C7	C9	sing	1.48Å	1.48Å
C	OXT	sing	1.34Å	1.26Å
C11	C9	doub	1.40Å	1.38Å	Aromatic
C11	C13	sing	1.38Å	1.41Å	Aromatic
C9	C12	sing	1.40Å	1.36Å	Aromatic
C13	C15	doub	1.38Å	1.38Å	Aromatic
C12	C14	doub	1.38Å	1.39Å	Aromatic
C15	C14	sing	1.38Å	1.36Å	Aromatic
CA	H1	sing	1.09Å	1.10Å
CB	H2	sing	1.09Å	1.10Å
CB	H3	sing	1.09Å	1.10Å
CG	H4	sing	1.09Å	1.10Å
CG	H5	sing	1.09Å	1.10Å
CD	H6	sing	1.09Å	1.10Å
CD	H7	sing	1.09Å	1.10Å
C3	H9	sing	1.08Å	1.08Å
C6	H10	sing	1.08Å	1.08Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C5	H14	sing	1.08Å	1.08Å
C21	H15	sing	1.08Å	1.08Å
C4	H16	sing	1.08Å	1.08Å
C12	H17	sing	1.08Å	1.08Å
C14	H18	sing	1.08Å	1.08Å
C15	H19	sing	1.08Å	1.08Å
C13	H20	sing	1.08Å	1.08Å
C11	H21	sing	1.08Å	1.08Å
C	O2	doub	1.21Å	1.28Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C6	C8	118.3°	120.1°
C6	C3	C2	118.6°	119.8°
C6	C3	H9	120.7°	120.1°
C3	C6	H10	120.8°	120.0°
C6	C8	C10	119.7°	119.9°
C6	C8	C5	122.1°	120.3°
C8	C6	H10	120.8°	119.9°
C3	C2	C1	117.1°	120.1°
C3	C2	C21	122.4°	119.7°
C2	C3	H9	120.7°	120.1°
O1	C1	C2	118.8°	120.0°
O1	C1	C4	112.9°	120.0°
C10	C8	C5	118.1°	119.9°
C8	C10	H11	109.5°	109.4°
C8	C10	H12	109.5°	109.4°
C8	C10	H13	109.5°	109.4°
C8	C5	C21	119.4°	120.1°
C8	C5	H14	120.3°	119.9°
CD	CG	CB	110.1°	101.6°
CG	CD	N	105.3°	105.0°
CD	CG	H4	109.3°	111.0°
CD	CG	H5	109.3°	111.0°
CG	CD	H6	110.5°	110.3°
CG	CD	H7	110.5°	110.4°
CG	CB	CA	102.2°	103.0°
CG	CB	H2	111.3°	110.7°
CG	CB	H3	111.2°	110.9°
CB	CG	H4	109.3°	111.2°
CB	CG	H5	109.3°	110.7°
C1	C2	C21	120.5°	120.2°
C2	C1	C4	127.9°	120.0°
C2	C21	C5	119.0°	119.9°
C2	C21	H15	120.5°	120.1°
CD	N	CA	109.8°	108.7°
CD	N	C7	125.1°	125.6°
N	CD	H6	110.5°	110.6°
N	CD	H7	110.5°	110.1°
C1	C4	C7	128.6°	120.0°
C1	C4	H16	115.7°	120.0°
CB	CA	N	105.9°	107.3°
CB	CA	C	107.6°	109.9°
CB	CA	H1	109.1°	110.0°
CA	CB	H2	111.2°	110.7°
CA	CB	H3	111.3°	110.7°
C21	C5	H14	120.3°	120.0°
C5	C21	H15	120.5°	120.1°
CA	N	C7	124.5°	125.7°
N	CA	C	115.3°	109.9°
N	CA	H1	110.0°	109.8°
N	C7	C4	130.9°	120.0°
N	C7	C9	117.3°	120.0°
C4	C7	C9	111.1°	119.9°
C7	C4	H16	115.7°	120.0°
CA	C	OXT	123.6°	120.0°
C	CA	H1	108.8°	109.9°
CA	C	O2	116.0°	120.0°
C7	C9	C11	110.6°	120.1°
C7	C9	C12	131.0°	120.2°
OXT	C	O2	120.4°	120.0°
C	OXT	HXT	109.5°	117.0°
C9	C11	C13	121.8°	119.9°
C11	C9	C12	118.4°	119.7°
C9	C11	H21	119.1°	120.1°
C11	C13	C15	118.9°	120.1°
C11	C13	H20	120.5°	119.9°
C13	C11	H21	119.1°	120.0°
C9	C12	C14	119.3°	119.8°
C9	C12	H17	120.3°	120.1°
C13	C15	C14	117.9°	120.3°
C13	C15	H19	121.0°	119.9°
C15	C13	H20	120.5°	120.0°
C12	C14	C15	123.3°	120.2°
C14	C12	H17	120.4°	120.0°
C12	C14	H18	118.3°	119.9°
C15	C14	H18	118.3°	119.9°
C14	C15	H19	121.1°	119.8°
H2	CB	H3	109.5°	110.6°
H4	CG	H5	109.5°	110.9°
H6	CD	H7	109.5°	110.4°
H11	C10	H12	109.5°	109.5°
H11	C10	H13	109.5°	109.5°
H12	C10	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C6	C8	H10	180.0°	180.0°
C6	C3	C2	H9	180.0°	180.0°
C3	C6	C8	C10	178.6°	180.0°
C3	C6	C8	C5	0.8°	0.0°
C6	C3	C2	C1	178.1°	180.0°
C6	C3	C2	C21	2.3°	0.3°
C8	C6	C3	C2	1.8°	0.0°
C6	C8	C10	C5	179.4°	180.0°
C6	C8	C5	C21	0.3°	0.3°
C8	C6	C3	H9	178.3°	180.0°
C6	C8	C10	H11	90.3°	90.0°
C6	C8	C10	H12	149.7°	150.0°
C6	C8	C10	H13	29.7°	30.0°
C6	C8	C5	H14	179.7°	180.0°
C3	C2	C1	O1	0.3°	179.7°
C3	C2	C1	C21	179.6°	179.7°
C3	C2	C1	C4	172.3°	0.3°
C3	C2	C21	C5	1.8°	0.5°
C2	C3	C6	H10	178.2°	179.9°
C3	C2	C21	H15	178.2°	179.7°
O1	C1	C2	C4	172.5°	179.9°
O1	C1	C2	C21	179.3°	0.0°
O1	C1	C4	C7	41.2°	5.8°
O1	C1	C4	H16	138.9°	174.2°
C10	C8	C5	C21	179.1°	179.8°
C10	C8	C6	H10	1.4°	0.0°
C8	C10	H11	H12	120.0°	120.0°
C8	C10	H11	H13	120.0°	119.9°
C8	C10	H12	H13	120.0°	119.9°
C10	C8	C5	H14	0.9°	0.0°
C8	C5	C21	C2	0.8°	0.5°
C8	C5	C21	H14	180.0°	179.8°
C5	C8	C6	H10	179.2°	179.9°
C5	C8	C10	H11	90.3°	90.0°
C5	C8	C10	H12	29.7°	30.0°
C5	C8	C10	H13	149.7°	150.0°
C8	C5	C21	H15	179.2°	179.7°
CD	CG	CB	H4	120.1°	118.2°
CD	CG	CB	H5	120.1°	118.0°
CG	CD	N	H6	119.3°	119.0°
CG	CD	N	H7	119.3°	118.8°
CD	CG	CB	CA	14.7°	35.3°
CG	CD	N	CA	16.6°	23.8°
CG	CD	N	C7	172.1°	155.9°
CD	CG	CB	H2	104.1°	83.0°
CD	CG	CB	H3	133.5°	153.8°
CD	CG	H4	H5	119.7°	123.9°
CG	CD	H6	H7	121.9°	122.3°
CB	CG	CD	N	0.4°	36.7°
CG	CB	CA	H2	118.8°	118.4°
CG	CB	CA	H3	118.8°	118.5°
CG	CB	CA	N	24.1°	22.2°
CG	CB	CA	C	99.7°	141.6°
CG	CB	CA	H1	142.4°	97.3°
CG	CB	H2	H3	123.4°	123.3°
CB	CG	H4	H5	119.7°	123.7°
CB	CG	CD	H6	119.0°	155.9°
CB	CG	CD	H7	119.7°	81.9°
C1	C2	C21	C5	178.6°	179.8°
C2	C1	C4	C7	146.0°	174.2°
C1	C2	C3	H9	1.9°	0.1°
C1	C2	C21	H15	1.4°	0.0°
C2	C1	C4	H16	34.0°	5.7°
C21	C2	C1	C4	8.2°	180.0°
C2	C21	C5	H15	180.0°	179.8°
C21	C2	C3	H9	177.7°	179.8°
C2	C21	C5	H14	179.2°	179.7°
CD	N	CA	CB	26.3°	0.8°
CD	N	CA	C7	171.4°	179.7°
CD	N	C7	C4	24.5°	66.4°
CD	N	CA	C	92.5°	118.6°
CD	N	C7	C9	165.4°	113.7°
CD	N	CA	H1	144.0°	120.4°
N	CD	CG	H4	119.7°	155.1°
N	CD	CG	H5	120.5°	81.1°
N	CD	H6	H7	121.9°	122.1°
C1	C4	C7	N	4.4°	6.1°
C1	C4	C7	H16	180.0°	179.9°
C1	C4	C7	C9	175.0°	173.8°
CB	CA	N	C	118.8°	119.5°
CB	CA	N	H1	117.8°	119.6°
CB	CA	N	C7	162.3°	178.9°
CB	CA	C	H1	118.1°	121.2°
CB	CA	C	OXT	94.4°	62.2°
CA	CB	H2	H3	123.4°	123.1°
CA	CB	CG	H4	134.8°	153.5°
CA	CB	CG	H5	105.4°	82.6°
CB	CA	C	O2	87.3°	117.8°
CA	N	C7	C4	165.4°	113.9°
N	CA	C	H1	124.1°	120.9°
CA	N	C7	C9	4.7°	66.0°
N	CA	C	OXT	23.4°	180.0°
N	CA	CB	H2	94.7°	96.2°
N	CA	CB	H3	142.9°	140.7°
CA	N	CD	H6	102.8°	142.8°
CA	N	CD	H7	135.9°	95.0°
N	CA	C	O2	154.8°	0.1°
N	C7	C4	C9	170.6°	179.9°
C7	N	CA	C	78.9°	61.7°
N	C7	C9	C11	94.4°	8.6°
N	C7	C9	C12	85.0°	171.8°
C7	N	CA	H1	44.6°	59.3°
C7	N	CD	H6	68.6°	36.9°
C7	N	CD	H7	52.8°	85.3°
N	C7	C4	H16	175.6°	173.8°
C4	C7	C9	C11	77.6°	171.5°
C4	C7	C9	C12	103.0°	8.1°
CA	C	OXT	O2	178.2°	180.0°
C	CA	CB	H2	141.5°	23.2°
C	CA	CB	H3	19.1°	99.8°
CA	C	OXT	HXT	178.2°	180.0°
C7	C9	C11	C12	179.5°	179.7°
C7	C9	C11	C13	177.3°	179.8°
C7	C9	C12	C14	178.2°	179.9°
C9	C7	C4	H16	5.0°	6.3°
C7	C9	C12	H17	1.9°	0.0°
C7	C9	C11	H21	2.7°	0.1°
OXT	C	CA	H1	147.5°	59.0°
C9	C11	C13	H21	180.0°	179.6°
C9	C11	C13	C15	4.3°	0.6°
C11	C9	C12	C14	2.5°	0.2°
C11	C9	C12	H17	177.5°	179.7°
C9	C11	C13	H20	175.7°	179.7°
C13	C11	C9	C12	2.2°	0.6°
C11	C13	C15	H20	180.0°	179.7°
C11	C13	C15	C14	1.6°	0.3°
C11	C13	C15	H19	178.4°	179.7°
C9	C12	C14	H17	180.0°	179.9°
C9	C12	C14	C15	5.3°	0.1°
C9	C12	C14	H18	174.7°	180.0°
C12	C9	C11	H21	177.8°	179.8°
C13	C15	C14	C12	3.1°	0.0°
C13	C15	C14	H19	180.0°	179.9°
C13	C15	C14	H18	176.9°	179.9°
C15	C13	C11	H21	175.7°	179.8°
C12	C14	C15	H18	180.0°	179.9°
C12	C14	C15	H19	176.9°	179.9°
C15	C14	C12	H17	174.6°	180.0°
C14	C15	C13	H20	178.4°	180.0°
H1	CA	CB	H2	23.6°	144.4°
H1	CA	CB	H3	98.8°	21.3°
H1	CA	C	O2	30.8°	121.0°
H2	CB	CG	H4	16.0°	35.2°
H2	CB	CG	H5	135.8°	159.0°
H3	CB	CG	H4	106.4°	88.1°
H3	CB	CG	H5	13.4°	35.8°
H4	CG	CD	H6	120.9°	85.8°
H4	CG	CD	H7	0.4°	36.5°
H5	CG	CD	H6	1.1°	38.0°
H5	CG	CD	H7	120.2°	160.3°
H9	C3	C6	H10	1.7°	0.0°
H11	C10	H12	H13	120.0°	120.1°
H14	C5	C21	H15	0.7°	0.1°
H17	C12	C14	H18	5.3°	0.1°
H18	C14	C15	H19	3.1°	0.0°
H19	C15	C13	H20	1.6°	0.0°
H20	C13	C11	H21	4.3°	0.0°
O2	C	OXT	HXT	0.0°	0.0°

Release date:	2016-09-28
Definition date:	2015-04-20
Last modified:	2016-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	4Z1U