Q7J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C11	doub	1.22Å	1.23Å
C1	C2	sing	1.41Å	1.46Å
C1	C	sing	1.51Å	1.50Å
C2	N	doub	1.31Å	1.29Å
C11	C3	sing	1.47Å	1.45Å
C11	N3	sing	1.35Å	1.38Å
N	C3	sing	1.34Å	1.39Å
C3	C4	doub	1.41Å	1.40Å
N3	C10	sing	1.34Å	1.37Å
C9	O3	sing	1.43Å	1.43Å
C9	C8	sing	1.53Å	1.51Å
C4	N2	sing	1.37Å	1.36Å
C4	N1	sing	1.36Å	1.36Å
C10	N2	sing	1.34Å	1.37Å
C10	O4	doub	1.22Å	1.23Å
N1	C5	sing	1.46Å	1.46Å
O1	C6	sing	1.43Å	1.43Å
C7	C8	sing	1.53Å	1.52Å
C7	C6	sing	1.53Å	1.53Å
C7	O2	sing	1.43Å	1.43Å
C6	C5	sing	1.53Å	1.53Å
C2	H2	sing	1.08Å	1.08Å
N1	H3	sing	0.97Å	1.00Å
C6	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
O1	H9	sing	0.97Å	0.95Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
N3	H18	sing	0.97Å	1.00Å
O2	H19	sing	0.97Å	0.95Å
O3	H20	sing	0.97Å	0.95Å
C1	O6	doub	1.21Å	1.43Å
N2	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C11	C3	126.5°	120.7°
O5	C11	N3	119.8°	120.7°
C2	C1	C	115.7°	120.0°
C1	C2	N	117.9°	120.0°
C1	C2	H2	121.0°	120.0°
C2	C1	O6	111.4°	120.0°
C1	C	H10	109.5°	109.4°
C1	C	H11	109.4°	109.5°
C1	C	H12	109.5°	109.5°
C	C1	O6	132.5°	120.0°
C2	N	C3	120.1°	120.0°
N	C2	H2	121.0°	120.0°
C3	C11	N3	113.7°	118.6°
C11	C3	N	126.2°	121.1°
C11	C3	C4	120.9°	117.8°
C11	N3	C10	126.9°	120.9°
C11	N3	H18	116.5°	119.6°
N	C3	C4	112.9°	121.1°
C3	C4	N2	119.0°	118.9°
C3	C4	N1	121.0°	120.6°
N3	C10	N2	116.0°	122.5°
N3	C10	O4	122.0°	118.7°
C10	N3	H18	116.6°	119.5°
O3	C9	C8	111.5°	109.5°
O3	C9	H16	109.0°	109.5°
O3	C9	H17	109.0°	109.5°
C9	O3	H20	109.5°	114.0°
C9	C8	C7	113.9°	109.5°
C9	C8	H7	108.3°	109.5°
C9	C8	H8	108.4°	109.5°
C8	C9	H16	109.0°	109.5°
C8	C9	H17	109.0°	109.4°
N2	C4	N1	120.1°	120.5°
C4	N2	C10	123.5°	121.3°
C4	N2	H1	118.3°	119.4°
C4	N1	C5	120.2°	120.0°
C4	N1	H3	106.7°	119.9°
N2	C10	O4	122.0°	118.8°
C10	N2	H1	118.2°	119.3°
N1	C5	C6	112.8°	109.4°
C5	N1	H3	106.7°	120.0°
N1	C5	H5	108.6°	109.5°
N1	C5	H6	108.6°	109.5°
O1	C6	C7	110.5°	109.4°
O1	C6	C5	110.2°	109.5°
O1	C6	H4	108.7°	109.5°
C6	O1	H9	109.5°	114.0°
C8	C7	C6	113.2°	109.5°
C8	C7	O2	109.4°	109.5°
C7	C8	H7	108.3°	109.4°
C7	C8	H8	108.4°	109.4°
C8	C7	H15	107.8°	109.5°
C6	C7	O2	109.7°	109.5°
C7	C6	C5	112.2°	109.4°
C7	C6	H4	107.5°	109.5°
C6	C7	H15	107.7°	109.5°
O2	C7	H15	109.0°	109.5°
C7	O2	H19	109.5°	114.0°
C5	C6	H4	107.5°	109.5°
C6	C5	H5	108.6°	109.5°
C6	C5	H6	108.6°	109.5°
H5	C5	H6	109.5°	109.5°
H7	C8	H8	109.5°	109.5°
H10	C	H11	109.5°	109.5°
H10	C	H12	109.4°	109.5°
H11	C	H12	109.5°	109.5°
H16	C9	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C11	C3	N3	177.4°	180.0°
O5	C11	C3	N	6.7°	0.1°
O5	C11	C3	C4	175.4°	180.0°
O5	C11	N3	C10	175.8°	179.8°
O5	C11	N3	H18	4.2°	0.0°
C2	C1	C	O6	172.0°	180.0°
C1	C2	N	H2	180.0°	179.9°
C1	C2	N	C3	179.4°	175.2°
C2	C1	C	H10	172.0°	60.0°
C2	C1	C	H11	52.0°	180.0°
C2	C1	C	H12	68.0°	60.0°
C	C1	C2	N	10.1°	180.0°
C	C1	C2	H2	169.9°	0.0°
C1	C	H10	H11	120.0°	120.0°
C1	C	H10	H12	120.0°	120.0°
C1	C	H11	H12	120.0°	120.0°
C2	N	C3	C11	0.9°	48.0°
C2	N	C3	C4	178.9°	131.9°
N	C2	C1	O6	176.2°	0.0°
C11	C3	N	C4	178.0°	180.0°
C3	C11	N3	C10	1.8°	0.2°
C11	C3	C4	N2	1.1°	0.0°
C11	C3	C4	N1	179.2°	179.7°
C3	C11	N3	H18	178.2°	180.0°
N3	C11	C3	N	175.9°	180.0°
N3	C11	C3	C4	2.0°	0.0°
C11	N3	C10	H18	180.0°	179.8°
C11	N3	C10	N2	0.6°	0.5°
C11	N3	C10	O4	179.1°	180.0°
N	C3	C4	N2	177.0°	180.0°
N	C3	C4	N1	2.6°	0.3°
C3	N	C2	H2	0.6°	4.7°
C3	C4	N2	N1	179.6°	179.7°
C3	C4	N2	C10	0.2°	0.3°
C3	C4	N1	C5	151.1°	179.7°
C3	C4	N1	H3	87.4°	0.3°
C3	C4	N2	H1	179.8°	179.8°
N3	C10	N2	C4	0.5°	0.5°
N3	C10	N2	O4	179.7°	179.5°
N3	C10	N2	H1	179.5°	179.5°
O3	C9	C8	H16	120.3°	120.0°
O3	C9	C8	H17	120.3°	120.0°
O3	C9	C8	C7	176.2°	180.0°
O3	C9	C8	H7	63.1°	60.0°
O3	C9	C8	H8	55.6°	60.0°
O3	C9	H16	H17	119.1°	120.0°
C9	C8	C7	H7	120.6°	120.0°
C9	C8	C7	H8	120.7°	120.0°
C9	C8	C7	C6	164.6°	175.0°
C9	C8	C7	O2	72.7°	65.0°
C9	C8	H7	H8	118.0°	120.0°
C9	C8	C7	H15	45.7°	55.0°
C8	C9	H16	H17	119.1°	120.0°
C8	C9	O3	H20	180.0°	179.9°
C4	N2	C10	H1	180.0°	180.0°
C4	N2	C10	O4	179.8°	180.0°
N2	C4	N1	C5	28.5°	0.0°
N2	C4	N1	H3	93.0°	180.0°
N1	C4	N2	C10	179.4°	180.0°
C4	N1	C5	H3	121.5°	180.0°
C4	N1	C5	C6	114.4°	180.0°
C4	N1	C5	H5	125.1°	60.0°
C4	N1	C5	H6	6.1°	60.0°
N1	C4	N2	H1	0.6°	0.0°
N2	C10	N3	H18	179.4°	179.7°
O4	C10	N3	H18	0.9°	0.2°
O4	C10	N2	H1	0.3°	0.0°
N1	C5	C6	O1	50.5°	60.0°
N1	C5	C6	C7	73.1°	180.0°
N1	C5	C6	H5	120.5°	120.0°
N1	C5	C6	H6	120.5°	120.0°
N1	C5	C6	H4	168.9°	60.0°
N1	C5	H5	H6	118.5°	120.0°
O1	C6	C7	C8	72.7°	60.0°
O1	C6	C7	C5	123.5°	120.0°
O1	C6	C7	H4	118.5°	120.0°
O1	C6	C7	O2	164.8°	180.0°
O1	C6	C5	H4	118.3°	120.0°
O1	C6	C5	H5	69.9°	180.0°
O1	C6	C5	H6	171.0°	60.0°
O1	C6	C7	H15	46.3°	60.0°
C8	C7	C6	O2	122.4°	120.0°
C8	C7	C6	H15	119.0°	120.0°
C8	C7	O2	H15	117.6°	120.0°
C8	C7	C6	C5	163.8°	180.0°
C8	C7	C6	H4	45.8°	60.0°
C7	C8	H7	H8	118.0°	120.0°
C7	C8	C9	H16	55.9°	60.0°
C7	C8	C9	H17	63.5°	60.0°
C8	C7	O2	H19	180.0°	60.0°
C6	C7	O2	H15	117.7°	120.0°
C7	C6	C5	H4	118.0°	120.0°
C7	C6	C5	H5	166.4°	60.0°
C7	C6	C5	H6	47.4°	60.0°
C6	C7	C8	H7	74.7°	55.0°
C6	C7	C8	H8	44.0°	65.0°
C7	C6	O1	H9	180.0°	60.1°
C6	C7	O2	H19	55.3°	60.0°
O2	C7	C6	C5	41.3°	60.0°
O2	C7	C6	H4	76.7°	60.0°
O2	C7	C8	H7	47.9°	175.0°
O2	C7	C8	H8	166.6°	55.0°
C6	C5	N1	H3	7.1°	0.0°
C6	C5	H5	H6	118.4°	120.0°
C5	C6	O1	H9	55.3°	59.9°
C5	C6	C7	H15	77.2°	60.0°
H2	C2	C1	O6	3.8°	179.9°
H3	N1	C5	H5	113.4°	120.0°
H3	N1	C5	H6	127.6°	120.0°
H4	C6	C5	H5	48.4°	60.0°
H4	C6	C5	H6	70.6°	NaN°
H4	C6	O1	H9	62.3°	179.9°
H4	C6	C7	H15	164.8°	NaN°
H7	C8	C7	H15	166.3°	65.0°
H7	C8	C9	H16	176.6°	180.0°
H7	C8	C9	H17	57.2°	60.0°
H8	C8	C7	H15	75.0°	175.0°
H8	C8	C9	H16	64.7°	60.0°
H8	C8	C9	H17	175.9°	180.0°
H10	C	H11	H12	120.0°	120.0°
H10	C	C1	O6	0.0°	120.0°
H11	C	C1	O6	120.0°	0.0°
H12	C	C1	O6	120.0°	120.0°
H15	C7	O2	H19	62.4°	180.0°
H16	C9	O3	H20	59.7°	60.1°
H17	C9	O3	H20	59.7°	60.0°

Release date:	2020-02-19
Definition date:	2019-10-01
Last modified:	2020-02-14
Release status:	REL
Processing site:	RCSB
Derived from:	6PUE