4F3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C22	doub	1.41Å	1.39Å	Aromatic
C12	C6	sing	1.40Å	1.43Å	Aromatic
C12	C7	sing	1.42Å	1.41Å	Aromatic
C22	C9	sing	1.40Å	1.44Å	Aromatic
C22	F10	sing	1.34Å	1.32Å
C9	C4	doub	1.39Å	1.40Å	Aromatic
C9	H91	sing	1.09Å	1.10Å
C4	C5	sing	1.40Å	1.41Å	Aromatic
C4	H4	sing	1.09Å	1.10Å
C5	C6	doub	1.40Å	1.41Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	N9	sing	1.38Å	1.32Å	Aromatic
C7	C8	doub	1.38Å	1.40Å	Aromatic
C7	C11	sing	1.48Å	1.40Å
C8	N9	sing	1.37Å	1.33Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N9	H9	sing	1.01Å	1.02Å
C11	CA2	sing	1.52Å	1.39Å
C11	H111	sing	1.11Å	1.11Å
C11	H112	sing	1.11Å	1.11Å
CA2	N2	sing	1.35Å	1.31Å	Aromatic
CA2	C2	doub	1.34Å	1.43Å	Aromatic
N2	C1	doub	1.31Å	1.27Å	Aromatic
C1	N3	sing	1.37Å	1.38Å	Aromatic
C1	CA1	sing	1.48Å	1.53Å
N3	C2	sing	1.37Å	1.37Å	Aromatic
N3	CA3	sing	1.44Å	1.48Å
C2	O2	sing	1.32Å	1.25Å
O2	H17	sing	0.98Å	0.95Å
CA3	C3	sing	1.50Å	1.47Å
CA3	HA31	sing	1.09Å	1.11Å
CA3	HA32	sing	1.10Å	1.12Å
C3	O3	doub	1.22Å	1.41Å
C3	OXT	sing	1.36Å	51.98Å
CA1	C23	sing	1.57Å	1.53Å
CA1	N1	sing	1.48Å	1.54Å
CA1	HA1	sing	1.11Å	1.12Å
C23	O24	sing	1.43Å	1.45Å
C23	C25	sing	1.53Å	1.53Å
C23	H23	sing	1.10Å	1.11Å
O24	HO42	sing	0.97Å	0.95Å
C25	H251	sing	1.09Å	1.12Å
C25	H252	sing	1.10Å	1.12Å
C25	H253	sing	1.10Å	1.12Å
N1	H	sing	0.99Å	1.02Å
N1	H2	sing	0.99Å	1.02Å
OXT	HXT	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C22	C12	C6	116.1°	118.8°
C22	C12	C7	139.0°	134.2°
C12	C22	C9	121.5°	119.2°
C12	C22	F10	116.3°	121.0°
C6	C12	C7	104.9°	107.0°
C12	C6	C5	123.1°	122.7°
C12	C6	N9	109.7°	107.1°
C12	C7	C8	105.3°	107.7°
C12	C7	C11	129.3°	126.6°
C9	C22	F10	122.2°	119.8°
C22	C9	C4	121.0°	120.8°
C22	C9	H91	121.0°	119.5°
C4	C9	H91	118.1°	119.7°
C9	C4	C5	118.7°	121.1°
C9	C4	H4	120.3°	119.5°
C5	C4	H4	120.9°	119.4°
C4	C5	C6	119.6°	117.5°
C4	C5	H5	120.1°	121.0°
C6	C5	H5	120.3°	121.5°
C5	C6	N9	127.1°	130.2°
C6	N9	C8	109.0°	110.2°
C6	N9	H9	125.3°	124.9°
C8	C7	C11	125.4°	125.7°
C7	C8	N9	111.1°	107.9°
C7	C8	H8	126.6°	131.6°
C7	C11	CA2	127.2°	114.4°
C7	C11	H111	106.0°	111.2°
C7	C11	H112	106.0°	111.2°
N9	C8	H8	122.3°	120.5°
C8	N9	H9	125.7°	124.9°
CA2	C11	H111	105.9°	108.2°
CA2	C11	H112	105.9°	108.2°
C11	CA2	N2	128.3°	118.6°
C11	CA2	C2	126.5°	126.7°
H111	C11	H112	103.5°	103.0°
N2	CA2	C2	105.2°	114.7°
CA2	N2	C1	113.2°	102.9°
CA2	C2	N3	106.6°	103.2°
CA2	C2	O2	127.2°	134.4°
N2	C1	N3	109.4°	111.8°
N2	C1	CA1	121.6°	126.0°
N3	C1	CA1	128.9°	122.2°
C1	N3	C2	105.6°	107.4°
C1	N3	CA3	129.0°	126.4°
C1	CA1	C23	112.5°	113.0°
C1	CA1	N1	103.2°	111.9°
C1	CA1	HA1	120.5°	110.2°
C2	N3	CA3	125.5°	126.1°
N3	C2	O2	126.1°	122.4°
N3	CA3	C3	117.8°	112.4°
N3	CA3	HA31	109.2°	107.8°
N3	CA3	HA32	109.2°	107.8°
C2	O2	H17	127.2°	112.3°
C3	CA3	HA31	109.2°	109.8°
C3	CA3	HA32	109.2°	109.8°
CA3	C3	O3	108.2°	126.4°
CA3	C3	OXT	99.4°	109.9°
HA31	CA3	HA32	100.9°	109.2°
O3	C3	OXT	96.4°	123.7°
C3	OXT	HXT	99.5°	111.9°
C23	CA1	N1	126.4°	110.1°
C23	CA1	HA1	91.7°	105.9°
CA1	C23	O24	109.7°	108.3°
CA1	C23	C25	114.3°	115.4°
CA1	C23	H23	104.9°	110.2°
N1	CA1	HA1	103.4°	105.4°
CA1	N1	H	103.2°	116.9°
CA1	N1	H2	114.6°	116.9°
O24	C23	C25	105.8°	107.2°
O24	C23	H23	113.5°	106.9°
C23	O24	HO42	109.7°	106.1°
C25	C23	H23	108.8°	108.5°
C23	C25	H251	114.3°	111.9°
C23	C25	H252	110.5°	111.0°
C23	C25	H253	110.5°	110.3°
H251	C25	H252	110.4°	108.8°
H251	C25	H253	110.5°	108.1°
H252	C25	H253	99.8°	106.6°
H	N1	H2	114.6°	124.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C22	C12	C6	C7	179.6°	180.0°
C12	C22	C9	F10	179.7°	179.9°
C12	C22	C9	C4	0.0°	0.0°
C12	C22	C9	H91	180.0°	179.9°
C22	C12	C6	C5	0.3°	0.0°
C22	C12	C6	N9	179.5°	180.0°
C22	C12	C7	C8	179.2°	180.0°
C22	C12	C7	C11	0.1°	0.0°
C6	C12	C22	C9	0.3°	0.0°
C6	C12	C22	F10	179.4°	179.9°
C12	C6	C5	C4	0.1°	0.0°
C12	C6	C5	N9	179.8°	180.0°
C12	C6	C5	H5	179.9°	180.0°
C6	C12	C7	C8	0.2°	0.0°
C6	C12	C7	C11	179.5°	180.0°
C12	C6	N9	C8	0.1°	0.0°
C12	C6	N9	H9	179.9°	180.0°
C7	C12	C22	C9	179.7°	180.0°
C7	C12	C22	F10	0.0°	0.1°
C7	C12	C6	C5	179.9°	180.0°
C7	C12	C6	N9	0.1°	0.0°
C12	C7	C8	C11	179.3°	180.0°
C12	C7	C8	N9	0.3°	0.0°
C12	C7	C8	H8	179.7°	179.9°
C12	C7	C11	CA2	177.6°	90.0°
C12	C7	C11	H111	57.2°	147.1°
C12	C7	C11	H112	52.4°	32.9°
C22	C9	C4	H91	180.0°	179.9°
C22	C9	C4	C5	0.2°	0.0°
C22	C9	C4	H4	179.8°	180.0°
F10	C22	C9	C4	179.6°	179.9°
F10	C22	C9	H91	0.4°	0.0°
C9	C4	C5	H4	180.0°	180.0°
C9	C4	C5	C6	0.1°	0.0°
C9	C4	C5	H5	179.9°	180.0°
H91	C9	C4	C5	179.8°	179.9°
H91	C9	C4	H4	0.2°	0.1°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	N9	179.7°	180.0°
H4	C4	C5	C6	179.9°	180.0°
H4	C4	C5	H5	0.1°	0.0°
C5	C6	N9	C8	179.7°	180.0°
C5	C6	N9	H9	0.3°	0.0°
H5	C5	C6	N9	0.3°	0.0°
C6	N9	C8	C7	0.3°	0.0°
C6	N9	C8	H9	180.0°	180.0°
C6	N9	C8	H8	179.7°	179.9°
C7	C8	N9	H8	180.0°	180.0°
C7	C8	N9	H9	179.7°	180.0°
C8	C7	C11	CA2	1.5°	90.0°
C8	C7	C11	H111	123.7°	32.9°
C8	C7	C11	H112	126.8°	147.1°
C11	C7	C8	N9	179.6°	180.0°
C11	C7	C8	H8	0.4°	0.0°
C7	C11	CA2	H111	125.2°	124.5°
C7	C11	CA2	H112	125.3°	124.5°
C7	C11	H111	H112	111.4°	119.2°
C7	C11	CA2	N2	0.1°	90.1°
C7	C11	CA2	C2	178.7°	90.0°
H8	C8	N9	H9	0.2°	0.0°
CA2	C11	H111	H112	111.2°	114.4°
C11	CA2	N2	C2	178.8°	180.0°
C11	CA2	N2	C1	178.3°	180.0°
C11	CA2	C2	N3	178.0°	179.9°
C11	CA2	C2	O2	0.9°	0.1°
H111	C11	CA2	N2	125.4°	145.4°
H111	C11	CA2	C2	56.1°	34.6°
H112	C11	CA2	N2	125.1°	34.5°
H112	C11	CA2	C2	53.4°	145.5°
CA2	N2	C1	N3	0.0°	0.0°
CA2	N2	C1	CA1	179.3°	179.9°
N2	CA2	C2	N3	0.8°	0.0°
N2	CA2	C2	O2	179.7°	179.9°
C2	CA2	N2	C1	0.5°	0.0°
CA2	C2	N3	C1	0.8°	0.1°
CA2	C2	N3	O2	178.9°	179.9°
CA2	C2	N3	CA3	178.7°	180.0°
CA2	C2	O2	H17	180.0°	99.0°
N2	C1	N3	CA1	179.2°	180.0°
N2	C1	N3	C2	0.5°	0.1°
N2	C1	N3	CA3	179.0°	180.0°
N2	C1	CA1	C23	28.0°	31.8°
N2	C1	CA1	N1	111.2°	93.1°
N2	C1	CA1	HA1	134.3°	150.0°
C1	N3	C2	CA3	179.5°	180.0°
C1	N3	C2	O2	179.7°	180.0°
C1	N3	CA3	C3	98.6°	90.0°
C1	N3	CA3	HA31	136.2°	31.1°
C1	N3	CA3	HA32	26.7°	148.9°
N3	C1	CA1	C23	152.9°	148.2°
N3	C1	CA1	N1	67.9°	86.9°
N3	C1	CA1	HA1	46.5°	30.0°
CA1	C1	N3	C2	179.8°	179.9°
CA1	C1	N3	CA3	0.2°	0.1°
C1	CA1	C23	N1	127.8°	125.9°
C1	CA1	C23	HA1	124.2°	120.7°
C1	CA1	N1	HA1	126.2°	119.7°
C1	CA1	C23	O24	62.5°	56.6°
C1	CA1	C23	C25	178.9°	176.7°
C1	CA1	C23	H23	59.7°	60.0°
C1	CA1	N1	H	180.0°	162.7°
C1	CA1	N1	H2	54.8°	30.7°
N3	C2	O2	H17	1.3°	81.1°
C2	N3	CA3	C3	82.0°	90.0°
C2	N3	CA3	HA31	43.3°	148.9°
C2	N3	CA3	HA32	152.8°	31.2°
CA3	N3	C2	O2	0.2°	0.1°
N3	CA3	C3	HA31	125.3°	120.0°
N3	CA3	C3	HA32	125.2°	120.0°
N3	CA3	HA31	HA32	114.9°	116.9°
N3	CA3	C3	O3	156.5°	0.0°
N3	CA3	C3	OXT	103.5°	179.8°
C3	CA3	HA31	HA32	114.9°	120.4°
CA3	C3	O3	OXT	102.2°	179.8°
CA3	C3	OXT	HXT	179.9°	179.9°
HA31	CA3	C3	O3	31.2°	120.0°
HA31	CA3	C3	OXT	131.2°	59.8°
HA32	CA3	C3	O3	78.3°	120.0°
HA32	CA3	C3	OXT	21.7°	60.2°
O3	C3	OXT	HXT	70.3°	0.1°
C23	CA1	N1	HA1	102.4°	113.8°
CA1	C23	O24	C25	123.7°	125.1°
CA1	C23	O24	H23	117.0°	118.7°
CA1	C23	C25	H23	116.9°	124.2°
CA1	C23	O24	HO42	180.0°	138.8°
CA1	C23	C25	H251	180.0°	67.2°
CA1	C23	C25	H252	54.7°	54.6°
CA1	C23	C25	H253	54.7°	172.4°
C23	CA1	N1	H	48.6°	70.8°
C23	CA1	N1	H2	76.6°	95.7°
N1	CA1	C23	O24	169.7°	177.6°
N1	CA1	C23	C25	51.1°	57.4°
N1	CA1	C23	H23	68.0°	65.9°
CA1	N1	H	H2	125.3°	165.4°
HA1	CA1	C23	O24	61.6°	64.1°
HA1	CA1	C23	C25	57.0°	56.0°
HA1	CA1	C23	H23	176.1°	179.3°
HA1	CA1	N1	H	53.7°	43.0°
HA1	CA1	N1	H2	179.0°	150.5°
O24	C23	C25	H23	122.3°	115.1°
O24	C23	C25	H251	59.2°	172.1°
O24	C23	C25	H252	66.0°	66.1°
O24	C23	C25	H253	175.5°	51.7°
C25	C23	O24	HO42	56.3°	13.7°
C23	C25	H251	H252	125.3°	123.0°
C23	C25	H251	H253	125.3°	121.6°
C23	C25	H252	H253	116.3°	120.1°
H23	C23	O24	HO42	63.0°	102.5°
H23	C23	C25	H251	63.1°	57.0°
H23	C23	C25	H252	171.6°	178.7°
H23	C23	C25	H253	62.2°	63.4°
H251	C25	H252	H253	116.3°	116.3°

Definition date:	2003-12-16
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	1RM9