4N9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C1	doub	1.71Å	1.70Å
CB	CA	sing	1.54Å	1.48Å
CB	CG	sing	1.55Å	1.52Å
CA	C	sing	1.51Å	1.46Å
CA	N	sing	1.47Å	1.51Å
N1	C10	trip	1.14Å	1.20Å
C	O	doub	1.21Å	1.26Å
CG	CD	sing	1.55Å	1.48Å
C6	C5	doub	1.38Å	1.39Å	Aromatic
C6	C7	sing	1.40Å	1.41Å	Aromatic
C10	C7	sing	1.43Å	1.31Å
N	C1	sing	1.35Å	1.28Å
N	CD	sing	1.47Å	1.45Å
C5	C4	sing	1.38Å	1.42Å	Aromatic
C1	N2	sing	1.35Å	1.37Å
C7	C8	doub	1.40Å	1.35Å	Aromatic
C4	C3	sing	1.51Å	1.48Å
C4	C9	doub	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.38Å	1.40Å	Aromatic
N2	C3	sing	1.46Å	1.43Å
C3	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
N2	H8	sing	0.97Å	1.00Å
CA	HA	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB1	sing	1.09Å	1.10Å
CG	HG2	sing	1.09Å	1.10Å
CG	HG1	sing	1.09Å	1.10Å
CD	HD2	sing	1.09Å	1.10Å
CD	HD1	sing	1.09Å	1.10Å
C	OXT	sing	1.34Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	C1	N	122.1°	120.0°
S1	C1	N2	124.4°	120.0°
CA	CB	CG	106.1°	102.9°
CB	CA	C	98.9°	109.9°
CB	CA	N	108.9°	107.3°
CB	CA	HA	111.4°	110.0°
CA	CB	HB2	110.3°	110.7°
CA	CB	HB1	110.3°	110.8°
CB	CG	CD	102.3°	101.7°
CG	CB	HB2	110.3°	110.7°
CG	CB	HB1	110.3°	110.7°
CB	CG	HG2	111.3°	111.0°
CB	CG	HG1	111.2°	111.0°
C	CA	N	114.2°	109.8°
CA	C	O	124.2°	120.0°
C	CA	HA	111.8°	109.8°
CA	C	OXT	118.6°	120.0°
CA	N	C1	125.6°	125.7°
CA	N	CD	103.5°	108.7°
N	CA	HA	111.0°	109.9°
N1	C10	C7	179.3°	180.0°
O	C	OXT	114.3°	120.0°
CG	CD	N	110.2°	104.9°
CD	CG	HG2	111.2°	111.1°
CD	CG	HG1	111.2°	110.8°
CG	CD	HD2	109.3°	110.4°
CG	CD	HD1	109.3°	110.2°
C5	C6	C7	123.6°	119.8°
C6	C5	C4	115.4°	120.2°
C6	C5	H4	122.3°	119.9°
C5	C6	H5	118.2°	120.1°
C6	C7	C10	119.2°	120.2°
C6	C7	C8	119.5°	119.7°
C7	C6	H5	118.2°	120.1°
C10	C7	C8	121.3°	120.2°
C1	N	CD	129.9°	125.6°
N	C1	N2	113.5°	120.1°
N	CD	HD2	109.3°	110.4°
N	CD	HD1	109.3°	110.4°
C5	C4	C3	122.4°	119.9°
C5	C4	C9	120.7°	120.3°
C4	C5	H4	122.3°	119.9°
C1	N2	C3	128.4°	120.0°
C1	N2	H8	115.8°	120.0°
C7	C8	C9	118.9°	119.9°
C7	C8	H6	120.6°	120.0°
C3	C4	C9	116.9°	119.8°
C4	C3	N2	116.1°	109.5°
C4	C3	H2	107.8°	109.4°
C4	C3	H3	107.8°	109.5°
C4	C9	C8	121.7°	120.2°
C4	C9	H7	119.1°	119.9°
C9	C8	H6	120.6°	120.1°
C8	C9	H7	119.2°	120.0°
N2	C3	H2	107.8°	109.5°
N2	C3	H3	107.8°	109.5°
C3	N2	H8	115.8°	120.0°
H2	C3	H3	109.5°	109.5°
HB2	CB	HB1	109.5°	110.7°
HG2	CG	HG1	109.5°	110.9°
HD2	CD	HD1	109.5°	110.4°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C1	N	CA	15.5°	0.3°
S1	C1	N	N2	176.7°	180.0°
S1	C1	N	CD	150.8°	180.0°
S1	C1	N2	C3	8.3°	0.0°
S1	C1	N2	H8	171.7°	179.9°
CA	CB	CG	HB2	119.5°	118.4°
CA	CB	CG	HB1	119.4°	118.4°
CB	CA	C	N	115.5°	117.9°
CB	CA	C	HA	117.5°	121.2°
CB	CA	N	HA	123.0°	119.6°
CB	CA	C	O	92.0°	99.3°
CA	CB	CG	CD	24.8°	35.3°
CB	CA	N	C1	161.8°	178.9°
CB	CA	N	CD	7.4°	0.8°
CA	CB	HB2	HB1	121.5°	123.3°
CA	CB	CG	HG2	143.7°	153.6°
CA	CB	CG	HG1	94.0°	82.6°
CB	CA	C	OXT	108.2°	81.0°
CG	CB	CA	C	130.8°	141.6°
CG	CB	CA	N	11.2°	22.2°
CB	CG	CD	HG2	118.9°	118.2°
CB	CG	CD	HG1	118.8°	118.1°
CB	CG	CD	N	31.1°	36.7°
CG	CB	CA	HA	111.5°	97.3°
CG	CB	HB2	HB1	121.6°	123.2°
CB	CG	HG2	HG1	123.4°	123.9°
CB	CG	CD	HD2	89.0°	155.6°
CB	CG	CD	HD1	151.2°	82.1°
C	CA	N	HA	127.4°	121.0°
CA	C	O	OXT	160.6°	179.8°
C	CA	N	C1	88.7°	61.7°
C	CA	N	CD	102.1°	118.6°
C	CA	CB	HB2	11.3°	23.3°
C	CA	CB	HB1	109.8°	100.0°
CA	C	OXT	HXT	161.7°	179.7°
N	CA	C	O	23.5°	18.6°
CA	N	CD	CG	24.4°	23.8°
CA	N	C1	CD	166.3°	179.7°
CA	N	C1	N2	167.8°	179.7°
N	CA	CB	HB2	108.2°	96.1°
N	CA	CB	HB1	130.7°	140.6°
CA	N	CD	HD2	95.8°	142.7°
CA	N	CD	HD1	144.5°	94.9°
N	CA	C	OXT	136.3°	161.2°
N1	C10	C7	C6	158.2°	23.8°
N1	C10	C7	C8	21.4°	156.2°
O	C	CA	HA	150.5°	139.6°
O	C	OXT	HXT	0.0°	0.0°
CG	CD	N	C1	144.2°	155.9°
CG	CD	N	HD2	120.1°	118.9°
CG	CD	N	HD1	120.1°	118.7°
CD	CG	CB	HB2	94.7°	83.1°
CD	CG	CB	HB1	144.3°	153.7°
CD	CG	HG2	HG1	123.3°	123.7°
CG	CD	HD2	HD1	119.7°	122.1°
C5	C6	C7	H5	180.0°	179.9°
C5	C6	C7	C10	179.9°	180.0°
C6	C5	C4	H4	180.0°	179.9°
C5	C6	C7	C8	0.5°	0.0°
C6	C5	C4	C3	177.0°	180.0°
C6	C5	C4	C9	4.7°	0.3°
C6	C7	C10	C8	179.6°	180.0°
C7	C6	C5	C4	2.2°	0.0°
C6	C7	C8	C9	1.2°	0.2°
C7	C6	C5	H4	177.8°	180.0°
C6	C7	C8	H6	178.8°	180.0°
C10	C7	C8	C9	179.2°	179.7°
C10	C7	C6	H5	0.1°	0.1°
C10	C7	C8	H6	0.8°	0.0°
N	C1	N2	C3	168.3°	180.0°
N	C1	N2	H8	11.7°	0.1°
C1	N	CA	HA	38.7°	59.3°
C1	N	CD	HD2	95.6°	37.0°
C1	N	CD	HD1	24.1°	85.4°
CD	N	C1	N2	25.9°	0.0°
CD	N	CA	HA	130.5°	120.4°
N	CD	CG	HG2	150.0°	154.9°
N	CD	CG	HG1	87.7°	81.4°
N	CD	HD2	HD1	119.6°	122.3°
C5	C4	C3	C9	178.3°	179.7°
C5	C4	C9	C8	5.7°	0.5°
C5	C4	C3	N2	15.9°	89.7°
C5	C4	C3	H2	136.9°	30.4°
C5	C4	C3	H3	105.1°	150.3°
C4	C5	C6	H5	177.8°	179.9°
C5	C4	C9	H7	174.3°	179.7°
C1	N2	C3	C4	89.6°	180.0°
C1	N2	C3	H8	180.0°	179.9°
C1	N2	C3	H2	149.5°	60.0°
C1	N2	C3	H3	31.4°	60.0°
C7	C8	C9	C4	3.8°	0.5°
C7	C8	C9	H6	180.0°	179.8°
C8	C7	C6	H5	179.5°	180.0°
C7	C8	C9	H7	176.2°	179.7°
C3	C4	C9	C8	175.9°	179.8°
C4	C3	N2	H2	121.0°	120.0°
C4	C3	N2	H3	121.0°	120.0°
C4	C3	H2	H3	117.0°	120.0°
C3	C4	C5	H4	3.0°	0.1°
C3	C4	C9	H7	4.0°	0.0°
C4	C3	N2	H8	90.4°	0.1°
C4	C9	C8	H7	180.0°	179.8°
C9	C4	C3	N2	162.4°	90.0°
C9	C4	C3	H2	41.4°	150.0°
C9	C4	C3	H3	76.6°	30.0°
C9	C4	C5	H4	175.3°	179.8°
C4	C9	C8	H6	176.1°	179.7°
N2	C3	H2	H3	117.0°	120.0°
H2	C3	N2	H8	30.6°	120.1°
H3	C3	N2	H8	148.7°	119.9°
H4	C5	C6	H5	2.2°	0.0°
H6	C8	C9	H7	3.8°	0.1°
HA	CA	CB	HB2	129.0°	144.3°
HA	CA	CB	HB1	7.9°	21.0°
HA	CA	C	OXT	9.3°	40.2°
HB2	CB	CG	HG2	24.2°	35.2°
HB2	CB	CG	HG1	146.5°	159.0°
HB1	CB	CG	HG2	96.9°	88.0°
HB1	CB	CG	HG1	25.5°	35.8°
HG2	CG	CD	HD2	29.9°	86.2°
HG2	CG	CD	HD1	89.9°	36.1°
HG1	CG	CD	HD2	152.2°	37.6°
HG1	CG	CD	HD1	32.4°	159.8°

Release date:	2016-09-28
Definition date:	2015-04-20
Last modified:	2016-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	4Z1T