QSN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	O2	doub	1.22Å	1.22Å
N1	O3	sing	1.22Å	1.41Å
N1	C4	sing	1.48Å	1.36Å
C4	C5	doub	1.39Å	1.42Å	Aromatic
C4	C10	sing	1.38Å	1.41Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C5	N28	sing	1.40Å	1.36Å	Aromatic
C6	C8	doub	1.39Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C8	C9	sing	1.41Å	1.41Å	Aromatic
C8	C16	sing	1.47Å	1.50Å
C9	C10	doub	1.39Å	1.40Å	Aromatic
C9	N12	sing	1.39Å	1.41Å
C10	H10	sing	1.08Å	1.08Å
N12	C14	sing	1.34Å	1.36Å
N12	HN12	sing	0.97Å	1.00Å
C14	N15	sing	1.34Å	1.37Å
C14	O27	doub	1.22Å	1.23Å
N15	C16	sing	1.35Å	1.35Å
N15	N18	sing	1.40Å	1.45Å
C16	O17	doub	1.22Å	1.24Å
N18	S20	sing	1.66Å	1.65Å
N18	HN18	sing	0.97Å	1.00Å
S20	O21	doub	1.42Å	1.45Å
S20	O22	doub	1.42Å	1.45Å
S20	C23	sing	1.81Å	1.81Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C23	H23B	sing	1.09Å	1.10Å
N28	C29	sing	1.36Å	1.30Å	Aromatic
N28	C34	sing	1.37Å	1.32Å	Aromatic
C29	N31	doub	1.30Å	1.25Å	Aromatic
C29	H29	sing	1.08Å	1.08Å
N31	C32	sing	1.34Å	1.44Å	Aromatic
C32	C34	doub	1.35Å	1.35Å	Aromatic
C32	H32	sing	1.08Å	1.08Å
C34	H34	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	N1	O3	117.5°	120.0°
O2	N1	C4	120.8°	120.0°
O3	N1	C4	121.7°	120.0°
N1	C4	C5	122.8°	119.7°
N1	C4	C10	117.6°	119.7°
C5	C4	C10	119.6°	120.6°
C4	C5	C6	119.6°	120.3°
C4	C5	N28	125.8°	119.9°
C4	C10	C9	120.1°	119.9°
C4	C10	H10	119.9°	120.0°
C6	C5	N28	114.5°	119.8°
C5	C6	C8	120.4°	119.4°
C5	C6	H6	119.8°	120.3°
C5	N28	C29	124.8°	126.5°
C5	N28	C34	125.6°	126.5°
C8	C6	H6	119.8°	120.2°
C6	C8	C9	120.8°	120.1°
C6	C8	C16	121.0°	121.7°
C9	C8	C16	118.2°	118.2°
C8	C9	C10	119.4°	119.8°
C8	C9	N12	119.2°	118.7°
C8	C16	N15	117.4°	118.3°
C8	C16	O17	119.1°	120.8°
C10	C9	N12	121.4°	121.5°
C9	C10	H10	120.0°	120.1°
C9	N12	C14	121.1°	120.6°
C9	N12	HN12	119.5°	119.7°
C14	N12	HN12	119.4°	119.7°
N12	C14	N15	120.8°	122.8°
N12	C14	O27	118.3°	118.6°
N15	C14	O27	120.9°	118.6°
C14	N15	C16	123.3°	121.3°
C14	N15	N18	120.0°	119.4°
C16	N15	N18	116.7°	119.4°
N15	C16	O17	123.5°	120.9°
N15	N18	S20	117.1°	120.0°
N15	N18	HN18	107.0°	119.9°
S20	N18	HN18	107.0°	120.1°
N18	S20	O21	109.9°	104.2°
N18	S20	O22	105.1°	104.3°
N18	S20	C23	107.5°	104.5°
O21	S20	O22	117.9°	121.0°
O21	S20	C23	108.7°	110.5°
O22	S20	C23	107.2°	110.6°
S20	C23	H23	109.5°	109.5°
S20	C23	H23A	109.5°	109.5°
S20	C23	H23B	109.5°	109.5°
H23	C23	H23A	109.5°	109.4°
H23	C23	H23B	109.4°	109.5°
H23A	C23	H23B	109.5°	109.5°
C29	N28	C34	109.6°	107.1°
N28	C29	N31	109.3°	108.6°
N28	C29	H29	125.3°	125.7°
N28	C34	C32	109.8°	106.9°
N28	C34	H34	125.1°	126.6°
N31	C29	H29	125.3°	125.7°
C29	N31	C32	110.4°	109.3°
N31	C32	C34	100.9°	108.2°
N31	C32	H32	129.5°	125.9°
C34	C32	H32	129.6°	126.0°
C32	C34	H34	125.1°	126.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	N1	O3	C4	179.8°	179.7°
O2	N1	C4	C5	170.4°	37.1°
O2	N1	C4	C10	10.0°	142.6°
O3	N1	C4	C5	9.8°	142.5°
O3	N1	C4	C10	169.8°	37.8°
N1	C4	C5	C10	179.5°	179.7°
N1	C4	C5	C6	179.8°	180.0°
N1	C4	C5	N28	0.9°	0.0°
N1	C4	C10	C9	179.8°	179.8°
N1	C4	C10	H10	0.2°	0.0°
C4	C5	C6	N28	179.3°	180.0°
C4	C5	C6	C8	0.1°	0.0°
C4	C5	C6	H6	179.9°	179.9°
C5	C4	C10	C9	0.2°	0.5°
C5	C4	C10	H10	179.8°	179.7°
C4	C5	N28	C29	91.0°	56.2°
C4	C5	N28	C34	91.3°	123.4°
C10	C4	C5	C6	0.3°	0.3°
C10	C4	C5	N28	179.5°	179.7°
C4	C10	C9	C8	0.3°	0.5°
C4	C10	C9	H10	180.0°	179.8°
C4	C10	C9	N12	179.6°	179.7°
C5	C6	C8	H6	180.0°	179.9°
C5	C6	C8	C9	0.6°	0.0°
C5	C6	C8	C16	180.0°	180.0°
C6	C5	N28	C29	88.3°	123.8°
C6	C5	N28	C34	89.5°	56.6°
N28	C5	C6	C8	179.2°	180.0°
N28	C5	C6	H6	0.8°	0.1°
C5	N28	C29	C34	178.0°	179.7°
C5	N28	C29	N31	179.1°	180.0°
C5	N28	C29	H29	0.9°	0.1°
C5	N28	C34	C32	178.8°	179.9°
C5	N28	C34	H34	1.2°	0.0°
C6	C8	C9	C16	179.4°	180.0°
C6	C8	C9	C10	0.7°	0.2°
C6	C8	C9	N12	179.2°	180.0°
C6	C8	C16	N15	178.8°	180.0°
C6	C8	C16	O17	0.3°	0.0°
H6	C6	C8	C9	179.4°	180.0°
H6	C6	C8	C16	0.0°	0.1°
C8	C9	C10	N12	179.9°	179.8°
C8	C9	C10	H10	179.7°	179.8°
C8	C9	N12	C14	0.0°	0.0°
C8	C9	N12	HN12	180.0°	180.0°
C9	C8	C16	N15	0.6°	0.0°
C9	C8	C16	O17	179.1°	180.0°
C16	C8	C9	C10	179.9°	179.8°
C16	C8	C9	N12	0.3°	0.0°
C8	C16	N15	C14	0.7°	0.1°
C8	C16	N15	O17	178.4°	180.0°
C8	C16	N15	N18	178.9°	180.0°
C10	C9	N12	C14	179.9°	179.8°
C10	C9	N12	HN12	0.1°	0.2°
N12	C9	C10	H10	0.4°	0.1°
C9	N12	C14	HN12	180.0°	180.0°
C9	N12	C14	N15	0.1°	0.1°
C9	N12	C14	O27	179.8°	180.0°
N12	C14	N15	O27	179.7°	179.9°
N12	C14	N15	C16	0.5°	0.1°
N12	C14	N15	N18	178.7°	180.0°
HN12	N12	C14	N15	179.8°	179.9°
HN12	N12	C14	O27	0.2°	0.0°
C14	N15	C16	N18	178.2°	179.9°
C14	N15	C16	O17	179.2°	180.0°
C14	N15	N18	S20	88.3°	90.0°
C14	N15	N18	HN18	151.7°	90.0°
O27	C14	N15	C16	179.8°	180.0°
O27	C14	N15	N18	1.6°	0.1°
C16	N15	N18	S20	90.0°	90.0°
C16	N15	N18	HN18	30.0°	90.0°
N18	N15	C16	O17	2.6°	0.0°
N15	N18	S20	HN18	120.0°	180.0°
N15	N18	S20	O21	169.0°	176.1°
N15	N18	S20	O22	41.2°	56.1°
N15	N18	S20	C23	72.8°	60.0°
N18	S20	O21	O22	120.4°	116.7°
N18	S20	O21	C23	117.4°	111.7°
N18	S20	O22	C23	114.1°	111.8°
N18	S20	C23	H23	180.0°	60.0°
N18	S20	C23	H23A	60.0°	179.9°
N18	S20	C23	H23B	60.0°	60.0°
HN18	N18	S20	O21	71.0°	3.9°
HN18	N18	S20	O22	161.2°	123.9°
HN18	N18	S20	C23	47.2°	120.0°
O21	S20	O22	C23	123.0°	131.5°
O21	S20	C23	H23	61.0°	51.6°
O21	S20	C23	H23A	178.9°	68.4°
O21	S20	C23	H23B	58.9°	171.6°
O22	S20	C23	H23	67.5°	171.7°
O22	S20	C23	H23A	52.5°	68.4°
O22	S20	C23	H23B	172.5°	51.6°
S20	C23	H23	H23A	120.0°	120.0°
S20	C23	H23	H23B	120.0°	120.0°
S20	C23	H23A	H23B	120.0°	120.0°
H23	C23	H23A	H23B	120.0°	120.0°
N28	C29	N31	H29	180.0°	179.9°
N28	C29	N31	C32	0.9°	0.0°
C29	N28	C34	C32	0.8°	0.4°
C29	N28	C34	H34	179.2°	179.7°
C34	N28	C29	N31	1.0°	0.3°
C34	N28	C29	H29	179.0°	179.8°
N28	C34	C32	N31	0.3°	0.4°
N28	C34	C32	H34	180.0°	179.8°
N28	C34	C32	H32	179.8°	179.8°
C29	N31	C32	C34	0.4°	0.2°
C29	N31	C32	H32	179.6°	180.0°
H29	C29	N31	C32	179.2°	180.0°
N31	C32	C34	H32	180.0°	179.8°
N31	C32	C34	H34	179.7°	179.7°
H32	C32	C34	H34	0.2°	0.0°

Definition date:	2011-03-29
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3R7X