QX7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O18	S15	doub	1.42Å	1.47Å
O23	C11	doub	1.22Å	1.19Å
C20	C19	doub	1.38Å	1.39Å	Aromatic
C20	C21	sing	1.38Å	1.39Å	Aromatic
C19	C14	sing	1.38Å	1.39Å	Aromatic
C22	C21	sing	1.51Å	1.53Å
C21	C12	doub	1.39Å	1.39Å	Aromatic
C14	S15	sing	1.76Å	1.82Å
C14	C13	doub	1.38Å	1.38Å	Aromatic
O16	S15	doub	1.42Å	1.47Å
C12	C13	sing	1.40Å	1.39Å	Aromatic
C12	C11	sing	1.48Å	1.53Å
C11	N10	sing	1.35Å	1.46Å
N10	CB	sing	1.46Å	1.45Å
C07	C06	sing	1.51Å	1.53Å
CB	CA	sing	1.53Å	1.53Å
N	C06	sing	1.35Å	1.46Å
N	CA	sing	1.46Å	1.45Å
C06	O08	doub	1.21Å	1.20Å
CA	C	sing	1.51Å	1.52Å
C	O	doub	1.21Å	1.25Å
C13	H1	sing	1.08Å	1.08Å
C20	H2	sing	1.08Å	1.08Å
C22	H3	sing	1.09Å	1.10Å
C22	H4	sing	1.09Å	1.10Å
C22	H5	sing	1.09Å	1.10Å
CA	HA	sing	1.09Å	1.10Å
C07	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.09Å	1.10Å
CB	HB1	sing	1.09Å	1.10Å
CB	HB2	sing	1.09Å	1.10Å
C19	H13	sing	1.08Å	1.08Å
N	H	sing	0.97Å	1.00Å
N10	H15	sing	0.97Å	1.00Å
S15	F1	sing	1.61Å	1.63Å
C	OXT	sing	1.34Å	30.47Å
OXT	HXT	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O18	S15	C14	107.8°	106.4°
O18	S15	O16	108.5°	123.2°
O18	S15	F1	131.2°	106.4°
O23	C11	C12	122.5°	120.0°
O23	C11	N10	120.5°	120.0°
C19	C20	C21	120.8°	120.1°
C20	C19	C14	119.7°	120.3°
C19	C20	H2	119.6°	119.9°
C20	C19	H13	120.1°	119.9°
C20	C21	C22	119.1°	120.1°
C20	C21	C12	119.4°	119.9°
C21	C20	H2	119.6°	119.9°
C19	C14	S15	121.2°	119.9°
C19	C14	C13	119.5°	120.1°
C14	C19	H13	120.1°	119.8°
C22	C21	C12	121.5°	120.1°
C21	C22	H3	109.5°	109.4°
C21	C22	H4	109.5°	109.5°
C21	C22	H5	109.5°	109.5°
C21	C12	C13	119.2°	119.7°
C21	C12	C11	125.1°	120.1°
S15	C14	C13	119.3°	119.9°
C14	S15	O16	109.0°	106.4°
C14	S15	F1	103.5°	107.2°
C14	C13	C12	121.4°	119.8°
C14	C13	H1	119.3°	120.1°
O16	S15	F1	95.2°	106.4°
C13	C12	C11	115.7°	120.1°
C12	C13	H1	119.3°	120.1°
C12	C11	N10	117.0°	120.0°
C11	N10	CB	123.7°	120.0°
C11	N10	H15	118.2°	120.0°
N10	CB	CA	117.2°	109.5°
N10	CB	HB1	107.5°	109.5°
N10	CB	HB2	107.5°	109.5°
CB	N10	H15	118.1°	120.0°
C07	C06	N	118.4°	120.0°
C07	C06	O08	120.8°	120.1°
C06	C07	H8	109.5°	109.4°
C06	C07	H9	109.4°	109.5°
C06	C07	H10	109.5°	109.5°
CB	CA	N	112.5°	109.5°
CB	CA	C	112.1°	109.5°
CB	CA	HA	106.1°	109.5°
CA	CB	HB1	107.5°	109.4°
CA	CB	HB2	107.5°	109.4°
C06	N	CA	117.0°	120.0°
N	C06	O08	120.9°	120.0°
C06	N	H	121.5°	120.0°
N	CA	C	112.4°	109.5°
N	CA	HA	107.0°	109.4°
CA	N	H	121.5°	120.0°
CA	C	O	117.6°	120.0°
C	CA	HA	106.2°	109.5°
CA	C	OXT	136.5°	120.0°
O	C	OXT	93.0°	120.0°
H3	C22	H4	109.5°	109.4°
H3	C22	H5	109.5°	109.4°
H4	C22	H5	109.5°	109.5°
H8	C07	H9	109.5°	109.5°
H8	C07	H10	109.5°	109.4°
H9	C07	H10	109.5°	109.5°
HB1	CB	HB2	109.5°	109.5°
C	OXT	HXT	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O18	S15	C14	C19	53.5°	42.9°
O18	S15	C14	O16	117.5°	133.0°
O18	S15	C14	F1	142.0°	113.5°
O18	S15	C14	C13	126.5°	137.0°
O18	S15	O16	F1	136.7°	122.9°
O23	C11	C12	C21	41.0°	6.3°
O23	C11	C12	C13	138.4°	173.7°
O23	C11	C12	N10	177.9°	179.9°
O23	C11	N10	CB	0.2°	0.1°
O23	C11	N10	H15	179.8°	180.0°
C19	C20	C21	H2	180.0°	179.8°
C20	C19	C14	H13	180.0°	179.7°
C19	C20	C21	C22	179.6°	180.0°
C19	C20	C21	C12	0.1°	0.2°
C20	C19	C14	S15	179.8°	180.0°
C20	C19	C14	C13	0.1°	0.0°
C21	C20	C19	C14	0.3°	0.2°
C20	C21	C22	C12	179.7°	179.8°
C20	C21	C12	C13	0.2°	0.0°
C20	C21	C12	C11	179.6°	179.9°
C20	C21	C22	H3	90.1°	96.6°
C20	C21	C22	H4	149.9°	143.4°
C20	C21	C22	H5	29.9°	23.3°
C21	C20	C19	H13	179.7°	180.0°
C19	C14	S15	C13	179.9°	180.0°
C19	C14	S15	O16	171.0°	90.0°
C19	C14	C13	C12	0.2°	0.2°
C19	C14	C13	H1	179.8°	180.0°
C14	C19	C20	H2	179.7°	179.9°
C19	C14	S15	F1	88.5°	156.4°
C22	C21	C12	C13	180.0°	179.8°
C22	C21	C12	C11	0.6°	0.3°
C22	C21	C20	H2	0.4°	0.2°
C21	C22	H3	H4	120.0°	120.0°
C21	C22	H3	H5	120.0°	120.0°
C21	C22	H4	H5	120.0°	120.1°
C21	C12	C13	C14	0.4°	0.2°
C21	C12	C13	C11	179.5°	180.0°
C21	C12	C11	N10	141.1°	173.8°
C21	C12	C13	H1	179.6°	180.0°
C12	C21	C20	H2	179.9°	180.0°
C12	C21	C22	H3	90.2°	83.2°
C12	C21	C22	H4	29.9°	36.8°
C12	C21	C22	H5	149.9°	156.9°
C14	S15	O16	F1	106.2°	114.1°
S15	C14	C13	C12	179.9°	179.8°
S15	C14	C13	H1	0.1°	0.1°
S15	C14	C19	H13	0.2°	0.3°
C13	C14	S15	O16	9.0°	90.0°
C14	C13	C12	H1	180.0°	179.8°
C14	C13	C12	C11	179.8°	179.7°
C13	C14	C19	H13	179.9°	179.8°
C13	C14	S15	F1	91.5°	23.5°
C13	C12	C11	N10	39.4°	6.1°
C12	C11	N10	CB	177.7°	180.0°
C11	C12	C13	H1	0.2°	0.1°
C12	C11	N10	H15	2.3°	0.1°
C11	N10	CB	H15	180.0°	180.0°
C11	N10	CB	CA	73.2°	180.0°
C11	N10	CB	HB1	47.9°	60.1°
C11	N10	CB	HB2	165.6°	60.0°
N10	CB	CA	HB1	121.1°	120.0°
N10	CB	CA	HB2	121.1°	120.0°
N10	CB	CA	N	50.5°	55.0°
N10	CB	CA	C	77.3°	175.0°
N10	CB	CA	HA	167.2°	64.9°
N10	CB	HB1	HB2	116.5°	120.0°
C07	C06	N	O08	180.0°	179.9°
C07	C06	N	CA	178.8°	180.0°
C06	C07	H8	H9	120.0°	120.0°
C06	C07	H8	H10	120.0°	119.9°
C06	C07	H9	H10	120.0°	120.0°
C07	C06	N	H	1.2°	0.0°
CB	CA	N	C06	161.0°	155.0°
CB	CA	N	C	127.7°	120.0°
CB	CA	N	HA	116.1°	120.0°
CB	CA	C	HA	115.4°	120.0°
CB	CA	C	O	78.3°	120.0°
CA	CB	HB1	HB2	116.5°	120.0°
CB	CA	N	H	19.0°	25.0°
CA	CB	N10	H15	106.8°	0.0°
CB	CA	C	OXT	152.2°	60.0°
C06	N	CA	H	180.0°	180.0°
C06	N	CA	C	71.3°	85.0°
C06	N	CA	HA	44.9°	35.0°
N	C06	C07	H8	180.0°	180.0°
N	C06	C07	H9	60.0°	60.0°
N	C06	C07	H10	60.0°	60.1°
CA	N	C06	O08	1.2°	0.0°
N	CA	C	HA	116.7°	119.9°
N	CA	C	O	153.9°	0.0°
N	CA	CB	HB1	70.6°	65.0°
N	CA	CB	HB2	171.7°	175.0°
N	CA	C	OXT	24.3°	180.0°
O08	C06	C07	H8	0.0°	0.0°
O08	C06	C07	H9	120.0°	120.0°
O08	C06	C07	H10	120.0°	120.0°
O08	C06	N	H	178.8°	180.0°
CA	C	O	OXT	147.9°	179.9°
C	CA	CB	HB1	161.6°	55.0°
C	CA	CB	HB2	43.8°	65.0°
C	CA	N	H	108.7°	95.0°
CA	C	OXT	HXT	90.0°	179.9°
O	C	CA	HA	37.2°	120.0°
O	C	OXT	HXT	90.0°	0.0°
H2	C20	C19	H13	0.3°	0.2°
H3	C22	H4	H5	120.0°	120.0°
HA	CA	CB	HB1	46.1°	175.0°
HA	CA	CB	HB2	71.7°	55.0°
HA	CA	N	H	135.1°	145.0°
HA	CA	C	OXT	92.4°	60.1°
H8	C07	H9	H10	120.0°	120.0°
HB1	CB	N10	H15	132.1°	120.0°
HB2	CB	N10	H15	14.4°	120.0°

Release date:	2020-12-30
Definition date:	2020-01-10
Last modified:	2020-12-25
Release status:	REL
Processing site:	RCSB
Derived from:	6VBX