J4J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O30	N28	doub	1.22Å	1.22Å
O19	C18	doub	1.21Å	1.23Å
S21	C22	sing	1.76Å	1.71Å
S21	C20	sing	1.81Å	1.77Å
N28	C27	sing	1.48Å	1.41Å
N28	O29	sing	1.22Å	1.40Å
C18	C20	sing	1.51Å	1.52Å
C18	N17	sing	1.35Å	1.34Å
C22	C27	doub	1.39Å	1.40Å	Aromatic
C22	C23	sing	1.39Å	1.39Å	Aromatic
C27	C26	sing	1.38Å	1.39Å	Aromatic
N16	N17	sing	1.37Å	1.32Å
C23	C24	doub	1.38Å	1.39Å	Aromatic
C26	C25	doub	1.38Å	1.38Å	Aromatic
C24	C25	sing	1.38Å	1.37Å	Aromatic
C26	H1	sing	1.08Å	1.08Å
C25	H2	sing	1.08Å	1.08Å
C24	H3	sing	1.08Å	1.08Å
C23	H4	sing	1.08Å	1.08Å
C20	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
N17	H7	sing	0.97Å	1.00Å
N16	H8	sing	1.01Å	1.00Å
N16	H9	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O30	N28	C27	119.2°	120.0°
O30	N28	O29	119.4°	120.0°
O19	C18	C20	121.0°	120.0°
O19	C18	N17	121.8°	120.0°
C22	S21	C20	111.7°	103.0°
S21	C22	C27	125.4°	120.1°
S21	C22	C23	116.2°	120.1°
S21	C20	C18	111.7°	109.5°
S21	C20	H5	108.9°	109.5°
S21	C20	H6	108.9°	109.5°
C27	N28	O29	121.3°	120.0°
N28	C27	C22	126.3°	120.0°
N28	C27	C26	115.3°	120.0°
C20	C18	N17	117.2°	120.0°
C18	C20	H5	108.9°	109.5°
C18	C20	H6	108.9°	109.5°
C18	N17	N16	119.2°	120.0°
C18	N17	H7	120.4°	120.0°
C27	C22	C23	118.4°	119.8°
C22	C27	C26	118.5°	119.9°
C22	C23	C24	122.6°	119.9°
C22	C23	H4	118.7°	120.0°
C27	C26	C25	121.9°	120.1°
C27	C26	H1	119.0°	119.9°
N16	N17	H7	120.4°	119.9°
N17	N16	H8	109.5°	111.0°
N17	N16	H9	109.5°	111.0°
C23	C24	C25	118.2°	120.1°
C23	C24	H3	120.9°	119.9°
C24	C23	H4	118.7°	120.1°
C26	C25	C24	120.4°	120.2°
C25	C26	H1	119.1°	120.0°
C26	C25	H2	119.8°	119.9°
C24	C25	H2	119.8°	119.9°
C25	C24	H3	120.9°	120.0°
H5	C20	H6	109.5°	109.4°
H8	N16	H9	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O30	N28	C27	O29	177.1°	179.7°
O30	N28	C27	C22	86.4°	179.7°
O30	N28	C27	C26	92.8°	0.0°
O19	C18	C20	S21	2.6°	0.0°
O19	C18	C20	N17	179.7°	180.0°
O19	C18	N17	N16	0.7°	0.0°
O19	C18	C20	H5	122.9°	120.0°
O19	C18	C20	H6	117.7°	120.0°
O19	C18	N17	H7	179.3°	180.0°
S21	C22	C27	N28	1.0°	0.1°
C22	S21	C20	C18	168.4°	180.0°
S21	C22	C27	C23	180.0°	179.7°
S21	C22	C27	C26	179.9°	179.8°
S21	C22	C23	C24	180.0°	179.8°
S21	C22	C23	H4	0.0°	0.0°
C22	S21	C20	H5	48.0°	60.0°
C22	S21	C20	H6	71.3°	59.9°
S21	C20	C18	H5	120.3°	120.0°
S21	C20	C18	H6	120.3°	120.0°
S21	C20	C18	N17	177.1°	180.0°
C20	S21	C22	C27	136.7°	180.0°
C20	S21	C22	C23	43.3°	0.3°
S21	C20	H5	H6	119.0°	119.9°
N28	C27	C22	C26	179.1°	179.7°
N28	C27	C22	C23	179.0°	179.8°
N28	C27	C26	C25	179.9°	179.9°
N28	C27	C26	H1	0.0°	0.1°
O29	N28	C27	C22	96.5°	0.6°
O29	N28	C27	C26	84.4°	179.7°
C20	C18	N17	N16	179.6°	180.0°
C18	C20	H5	H6	119.0°	120.0°
C20	C18	N17	H7	0.4°	0.0°
C18	N17	N16	H7	180.0°	180.0°
N17	C18	C20	H5	56.8°	60.0°
N17	C18	C20	H6	62.5°	60.0°
C18	N17	N16	H8	180.0°	56.0°
C18	N17	N16	H9	60.0°	180.0°
C27	C22	C23	C24	0.0°	0.5°
C22	C27	C26	C25	0.7°	0.2°
C22	C27	C26	H1	179.3°	179.7°
C27	C22	C23	H4	180.0°	179.7°
C23	C22	C27	C26	0.1°	0.5°
C22	C23	C24	H4	180.0°	179.8°
C22	C23	C24	C25	0.9°	0.2°
C22	C23	C24	H3	179.1°	179.7°
C27	C26	C25	H1	180.0°	180.0°
C27	C26	C25	C24	1.7°	0.0°
C27	C26	C25	H2	178.4°	180.0°
N17	N16	H8	H9	120.0°	123.9°
C23	C24	C25	C26	1.7°	0.0°
C23	C24	C25	H3	180.0°	180.0°
C23	C24	C25	H2	178.3°	180.0°
C26	C25	C24	H2	180.0°	179.9°
C26	C25	C24	H3	178.3°	180.0°
C24	C25	C26	H1	178.3°	180.0°
C25	C24	C23	H4	179.1°	180.0°
H1	C26	C25	H2	1.6°	0.1°
H2	C25	C24	H3	1.7°	0.1°
H3	C24	C23	H4	0.9°	0.1°
H7	N17	N16	H8	0.0°	123.9°
H7	N17	N16	H9	120.0°	0.0°

Release date:	2019-08-21
Definition date:	2018-08-09
Last modified:	2019-08-16
Release status:	REL
Processing site:	RCSB
Derived from:	6ED7