RQA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C8	sing	1.44Å	1.46Å
O6	C5	sing	1.44Å	1.42Å
C8	C9	sing	1.53Å	1.50Å
C8	C7	sing	1.54Å	1.54Å
O2	C1	doub	1.22Å	1.19Å
C9	O7	sing	1.43Å	1.43Å
C1	N2	sing	1.33Å	1.37Å
C1	N1	sing	1.35Å	1.35Å
C5	N1	sing	1.46Å	1.50Å
C5	C6	sing	1.55Å	1.54Å
N2	C2	doub	1.33Å	1.33Å
N1	C4	sing	1.36Å	1.36Å
O7	S1	sing	1.52Å	1.63Å
S1	O1	doub	1.42Å	1.68Å
S1	O4	doub	1.42Å	1.69Å
C2	N3	sing	1.38Å	1.41Å
C2	C3	sing	1.41Å	1.40Å
O5	C7	sing	1.43Å	1.44Å
C4	C3	doub	1.35Å	1.41Å
C7	C6	sing	1.55Å	1.54Å
C6	O3	sing	1.43Å	1.42Å
C3	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
N3	H9	sing	0.97Å	1.00Å
N3	H10	sing	0.97Å	1.00Å
O3	H12	sing	0.97Å	0.95Å
O5	H14	sing	0.97Å	0.95Å
S1	O3S	sing	1.52Å	1.47Å
O3S	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	O6	C5	110.1°	107.0°
O6	C8	C9	108.8°	109.9°
O6	C8	C7	106.9°	107.3°
O6	C8	H6	109.2°	110.0°
O6	C5	N1	110.0°	110.7°
O6	C5	C6	105.7°	103.5°
O6	C5	H3	109.7°	110.7°
C9	C8	C7	115.1°	109.9°
C8	C9	O7	111.0°	109.5°
C9	C8	H6	108.6°	109.9°
C8	C9	H7	109.1°	109.5°
C8	C9	H8	109.1°	109.5°
C8	C7	O5	109.0°	110.6°
C8	C7	C6	103.2°	104.2°
C8	C7	H5	110.5°	110.5°
C7	C8	H6	108.2°	109.9°
O2	C1	N2	118.1°	119.5°
O2	C1	N1	121.4°	119.4°
C9	O7	S1	116.8°	114.1°
O7	C9	H7	109.1°	109.4°
O7	C9	H8	109.1°	109.4°
N2	C1	N1	120.5°	121.1°
C1	N2	C2	123.3°	120.7°
C1	N1	C5	120.8°	119.8°
C1	N1	C4	117.8°	120.3°
N1	C5	C6	114.5°	110.7°
C5	N1	C4	121.4°	119.9°
N1	C5	H3	108.6°	110.5°
C5	C6	C7	102.5°	102.1°
C5	C6	O3	112.4°	110.9°
C6	C5	H3	108.2°	110.6°
C5	C6	H4	108.0°	110.9°
N2	C2	N3	119.6°	120.2°
N2	C2	C3	118.3°	119.7°
N1	C4	C3	122.3°	119.3°
N1	C4	H2	118.8°	120.4°
O7	S1	O1	115.8°	106.4°
O7	S1	O4	115.1°	106.4°
O7	S1	O3S	88.5°	107.2°
O1	S1	O4	117.4°	123.2°
O1	S1	O3S	103.5°	106.4°
O4	S1	O3S	111.8°	106.4°
N3	C2	C3	122.1°	120.1°
C2	N3	H9	120.0°	120.0°
C2	N3	H10	120.0°	120.0°
C2	C3	C4	117.7°	118.9°
C2	C3	H1	121.1°	120.5°
O5	C7	C6	111.2°	110.5°
O5	C7	H5	112.0°	110.4°
C7	O5	H14	109.5°	114.0°
C4	C3	H1	121.2°	120.5°
C3	C4	H2	118.8°	120.3°
C7	C6	O3	115.9°	111.0°
C7	C6	H4	107.9°	111.0°
C6	C7	H5	110.5°	110.5°
O3	C6	H4	109.6°	110.8°
C6	O3	H12	109.5°	114.0°
H7	C9	H8	109.5°	109.5°
H9	N3	H10	120.0°	120.0°
S1	O3S	H15	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C8	C9	C7	119.9°	117.8°
O6	C8	C9	H6	118.7°	121.1°
O6	C8	C7	H6	117.4°	119.6°
O6	C8	C9	O7	38.3°	67.2°
C8	O6	C5	N1	147.7°	158.6°
C8	O6	C5	C6	23.6°	40.0°
O6	C8	C7	O5	100.8°	120.8°
O6	C8	C7	C6	17.5°	2.0°
C8	O6	C5	H3	92.8°	78.5°
O6	C8	C7	H5	135.7°	116.6°
O6	C8	C9	H7	81.9°	172.9°
O6	C8	C9	H8	158.5°	52.8°
C5	O6	C8	C9	128.5°	145.9°
C5	O6	C8	C7	3.7°	26.5°
O6	C5	N1	C1	128.4°	49.1°
O6	C5	N1	C6	118.9°	114.1°
O6	C5	N1	H3	120.1°	123.0°
O6	C5	C6	H3	117.5°	118.6°
O6	C5	N1	C4	53.1°	131.0°
O6	C5	C6	C7	33.7°	37.0°
O6	C5	C6	O3	158.9°	155.2°
O6	C5	C6	H4	80.1°	81.3°
C5	O6	C8	H6	113.2°	93.0°
C9	C8	C7	H6	121.7°	121.0°
C8	C9	O7	H7	120.2°	120.0°
C8	C9	O7	H8	120.2°	120.0°
C8	C9	O7	S1	177.9°	180.0°
C9	C8	C7	O5	138.3°	119.8°
C9	C8	C7	C6	103.4°	121.4°
C9	C8	C7	H5	14.8°	2.8°
C8	C9	H7	H8	119.3°	120.1°
C7	C8	C9	O7	81.6°	175.0°
C8	C7	C6	C5	30.4°	20.9°
C8	C7	O5	C6	113.2°	114.9°
C8	C7	O5	H5	122.7°	122.6°
C8	C7	C6	H5	118.2°	118.7°
C8	C7	C6	O3	153.3°	139.1°
C8	C7	C6	H4	83.5°	97.3°
C7	C8	C9	H7	158.2°	55.1°
C7	C8	C9	H8	38.7°	65.0°
C8	C7	O5	H14	180.0°	176.3°
O2	C1	N2	N1	179.3°	179.7°
O2	C1	N1	C5	1.7°	0.3°
O2	C1	N2	C2	180.0°	179.7°
O2	C1	N1	C4	179.7°	179.8°
C9	O7	S1	O1	27.1°	171.4°
C9	O7	S1	O4	169.5°	38.5°
O7	C9	C8	H6	157.0°	54.0°
O7	C9	H7	H8	119.3°	119.9°
C9	O7	S1	O3S	77.1°	75.0°
N2	C1	N1	C5	179.1°	180.0°
N2	C1	N1	C4	0.5°	0.0°
C1	N2	C2	N3	179.9°	180.0°
C1	N2	C2	C3	0.5°	0.0°
C1	N1	C5	C4	178.6°	180.0°
C1	N1	C5	C6	112.8°	65.0°
N1	C1	N2	C2	0.7°	0.0°
C1	N1	C4	C3	0.1°	0.1°
C1	N1	C4	H2	179.9°	180.0°
C1	N1	C5	H3	8.3°	172.1°
N1	C5	C6	H3	121.3°	122.8°
C5	N1	C4	C3	178.7°	180.0°
N1	C5	C6	C7	154.9°	155.5°
N1	C5	C6	O3	79.9°	86.2°
C5	N1	C4	H2	1.3°	0.1°
N1	C5	C6	H4	41.1°	37.3°
C6	C5	N1	C4	65.8°	114.9°
C5	C6	C7	O5	86.4°	98.0°
C5	C6	C7	O3	122.8°	118.2°
C5	C6	C7	H4	113.9°	118.2°
C5	C6	O3	H4	120.1°	123.5°
C5	C6	C7	H5	148.6°	139.5°
C5	C6	O3	H12	180.0°	180.0°
N2	C2	N3	C3	179.4°	180.0°
N2	C2	C3	C4	0.1°	0.0°
N2	C2	C3	H1	180.0°	180.0°
N2	C2	N3	H9	0.0°	180.0°
N2	C2	N3	H10	180.0°	0.1°
N1	C4	C3	C2	0.1°	0.0°
N1	C4	C3	H2	180.0°	179.9°
N1	C4	C3	H1	179.9°	179.9°
C4	N1	C5	H3	173.2°	7.9°
O7	S1	O1	O4	141.4°	123.0°
O7	S1	O1	O3S	94.9°	114.1°
O7	S1	O4	O3S	99.0°	114.0°
S1	O7	C9	H7	57.7°	60.0°
S1	O7	C9	H8	61.8°	60.0°
O7	S1	O3S	H15	116.2°	179.9°
O1	S1	O4	O3S	119.3°	123.0°
O1	S1	O3S	H15	0.0°	66.5°
O4	S1	O3S	H15	127.3°	66.5°
N3	C2	C3	C4	179.5°	179.9°
N3	C2	C3	H1	0.6°	0.1°
C2	N3	H9	H10	180.0°	179.9°
C2	C3	C4	H1	180.0°	180.0°
C2	C3	C4	H2	179.9°	180.0°
C3	C2	N3	H9	179.4°	0.0°
C3	C2	N3	H10	0.6°	180.0°
O5	C7	C6	H5	125.0°	122.5°
O5	C7	C6	O3	36.5°	20.3°
O5	C7	C6	H4	159.8°	143.8°
O5	C7	C8	H6	16.7°	1.2°
C7	C6	O3	H4	122.4°	123.7°
C7	C6	C5	H3	83.8°	81.6°
C6	C7	C8	H6	135.0°	117.5°
C7	C6	O3	H12	62.5°	67.2°
C6	C7	O5	H14	66.8°	61.4°
O3	C6	C5	H3	41.4°	36.6°
O3	C6	C7	H5	88.5°	102.2°
H1	C3	C4	H2	0.1°	0.0°
H3	C5	C6	H4	162.4°	160.1°
H4	C6	C7	H5	34.7°	21.4°
H4	C6	O3	H12	60.0°	56.5°
H5	C7	C8	H6	106.9°	123.8°
H5	C7	O5	H14	57.3°	61.1°
H6	C8	C9	H7	36.8°	66.0°
H6	C8	C9	H8	82.8°	173.9°

Release date:	2021-02-03
Definition date:	2020-02-20
Last modified:	2021-01-29
Release status:	REL
Processing site:	RCSB
Derived from:	6VWD