Q4Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C3	sing	1.43Å	1.42Å
O4	C4	sing	1.43Å	1.42Å
C3	C4	sing	1.52Å	1.52Å
C3	C2	sing	1.52Å	1.52Å
C4	C5	sing	1.53Å	1.52Å
C2	N2	sing	1.48Å	1.49Å
C2	C1	sing	1.53Å	1.48Å
N2	C7	doub	1.29Å	1.39Å
C5	C6	sing	1.53Å	1.51Å
C5	O5	sing	1.42Å	1.45Å
C7	C8	sing	1.51Å	1.49Å
C7	O1	sing	1.35Å	1.41Å
C1	O5	sing	1.40Å	1.42Å
C1	O1	sing	1.44Å	1.47Å
C6	O6	sing	1.43Å	1.45Å
O02	S02	doub	1.45Å	1.42Å
O6	S02	sing	1.52Å	1.57Å
S02	O03	doub	1.45Å	1.45Å
S02	O01	sing	1.45Å	1.44Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
N2	H12	sing	0.97Å	1.00Å
O3	H14	sing	0.97Å	0.95Å
O4	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C3	C4	109.1°	109.0°
O3	C3	C2	109.8°	109.0°
O3	C3	H3	110.4°	108.9°
C3	O3	H14	109.5°	114.0°
O4	C4	C3	107.1°	109.7°
O4	C4	C5	107.8°	109.7°
O4	C4	H4	111.4°	109.8°
C4	O4	H15	109.5°	114.0°
C4	C3	C2	109.7°	111.9°
C3	C4	C5	110.5°	108.4°
C4	C3	H3	109.0°	109.0°
C3	C4	H4	110.1°	109.7°
C3	C2	N2	107.6°	108.1°
C3	C2	C1	110.8°	113.8°
C3	C2	H2	111.1°	111.3°
C2	C3	H3	108.9°	109.0°
C4	C5	C6	111.7°	109.7°
C4	C5	O5	112.6°	108.2°
C5	C4	H4	109.9°	109.6°
C4	C5	H5	108.0°	109.7°
N2	C2	C1	103.5°	101.4°
C2	N2	C7	108.6°	108.1°
N2	C2	H2	111.7°	111.0°
C2	N2	H12	125.7°	125.9°
C2	C1	O5	122.8°	116.3°
C2	C1	O1	104.3°	101.9°
C2	C1	H1	106.0°	108.3°
C1	C2	H2	111.8°	110.9°
N2	C7	C8	126.2°	123.0°
N2	C7	O1	108.9°	114.0°
C7	N2	H12	125.7°	125.9°
C6	C5	O5	107.1°	109.7°
C5	C6	O6	106.5°	109.5°
C6	C5	H5	108.2°	109.7°
C5	C6	H6	110.2°	109.5°
C5	C6	H7	110.2°	109.4°
C5	O5	C1	116.0°	118.0°
O5	C5	H5	109.0°	109.8°
C8	C7	O1	125.0°	123.0°
C7	C8	H9	109.5°	109.4°
C7	C8	H10	109.5°	109.5°
C7	C8	H11	109.5°	109.5°
C7	O1	C1	108.1°	106.7°
O5	C1	O1	110.0°	112.5°
O5	C1	H1	106.7°	108.8°
O1	C1	H1	106.1°	108.7°
C6	O6	S02	118.2°	114.0°
O6	C6	H6	110.2°	109.4°
O6	C6	H7	110.2°	109.5°
O02	S02	O6	105.8°	106.7°
O02	S02	O03	110.7°	112.0°
O02	S02	O01	116.5°	112.1°
O6	S02	O03	106.5°	106.7°
O6	S02	O01	104.1°	106.8°
O03	S02	O01	112.3°	112.1°
H6	C6	H7	109.5°	109.4°
H9	C8	H10	109.5°	109.5°
H9	C8	H11	109.5°	109.4°
H10	C8	H11	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C3	C4	O4	62.4°	63.5°
O3	C3	C4	C2	120.3°	120.6°
O3	C3	C4	H3	120.6°	118.8°
O3	C3	C2	H3	121.0°	118.8°
O3	C3	C4	C5	179.6°	176.8°
O3	C3	C2	N2	78.9°	86.9°
O3	C3	C2	C1	168.6°	161.3°
O3	C3	C2	H2	43.6°	35.2°
O3	C3	C4	H4	58.8°	57.1°
O4	C4	C3	C5	117.2°	119.7°
O4	C4	C3	H4	121.3°	120.6°
O4	C4	C3	C2	177.2°	175.9°
O4	C4	C5	H4	121.7°	120.6°
O4	C4	C5	C6	67.3°	57.7°
O4	C4	C5	O5	172.1°	177.4°
O4	C4	C3	H3	58.1°	55.3°
O4	C4	C5	H5	51.6°	62.8°
C4	C3	C2	H3	119.2°	120.6°
C3	C4	C5	H4	121.7°	119.7°
C4	C3	C2	N2	161.3°	152.5°
C4	C3	C2	C1	48.7°	40.7°
C3	C4	C5	C6	176.0°	177.4°
C3	C4	C5	O5	55.4°	62.9°
C4	C3	C2	H2	76.2°	85.4°
C3	C4	C5	H5	65.1°	56.9°
C4	C3	O3	H14	180.0°	60.0°
C3	C4	O4	H15	180.0°	179.9°
C2	C3	C4	C5	60.1°	56.2°
C3	C2	N2	C1	117.3°	119.9°
C3	C2	N2	H2	122.2°	122.3°
C3	C2	C1	H2	124.6°	126.3°
C3	C2	N2	C7	96.5°	103.3°
C3	C2	C1	O5	36.1°	32.5°
C3	C2	C1	O1	89.6°	90.2°
C3	C2	C1	H1	158.7°	155.3°
C2	C3	C4	H4	61.5°	63.5°
C3	C2	N2	H12	83.5°	76.8°
C2	C3	O3	H14	59.8°	177.7°
C4	C5	C6	O5	123.8°	118.7°
C4	C5	C6	H5	118.8°	120.6°
C4	C5	O5	H5	119.9°	119.7°
C4	C5	O5	C1	39.7°	57.6°
C4	C5	C6	O6	177.9°	175.0°
C5	C4	C3	H3	59.0°	64.5°
C4	C5	C6	H6	58.4°	55.0°
C4	C5	C6	H7	62.6°	65.0°
C5	C4	O4	H15	61.1°	61.0°
N2	C2	C1	H2	120.4°	117.9°
C2	N2	C7	H12	180.0°	179.9°
C2	N2	C7	C8	173.0°	179.9°
C2	N2	C7	O1	7.3°	0.0°
N2	C2	C1	O5	151.2°	148.3°
N2	C2	C1	O1	25.5°	25.6°
N2	C2	C1	H1	86.3°	88.9°
N2	C2	C3	H3	42.1°	31.9°
C1	C2	N2	C7	20.8°	16.6°
C2	C1	O5	C5	31.8°	42.6°
C2	C1	O1	C7	22.3°	26.8°
C2	C1	O5	O1	123.0°	117.0°
C2	C1	O5	H1	122.3°	122.6°
C2	C1	O1	H1	111.7°	114.2°
C1	C2	C3	H3	70.4°	79.9°
C1	C2	N2	H12	159.2°	163.3°
N2	C7	C8	O1	179.7°	179.9°
N2	C7	O1	C1	9.5°	18.1°
C7	N2	C2	H2	141.3°	134.4°
N2	C7	C8	H9	179.7°	180.0°
N2	C7	C8	H10	59.7°	60.0°
N2	C7	C8	H11	60.3°	60.0°
C6	C5	O5	H5	116.9°	120.6°
C6	C5	O5	C1	162.9°	177.3°
C5	C6	O6	H6	119.5°	120.1°
C5	C6	O6	H7	119.5°	120.0°
C5	C6	O6	S02	157.7°	180.0°
C6	C5	C4	H4	54.4°	62.9°
C5	C6	H6	H7	121.4°	120.0°
C5	O5	C1	O1	91.2°	74.4°
O5	C5	C6	O6	58.3°	66.3°
C5	O5	C1	H1	154.1°	165.2°
O5	C5	C4	H4	66.2°	56.8°
O5	C5	C6	H6	177.9°	173.7°
O5	C5	C6	H7	61.2°	53.7°
C8	C7	O1	C1	170.2°	161.8°
C7	C8	H9	H10	120.0°	120.0°
C7	C8	H9	H11	120.0°	120.0°
C7	C8	H10	H11	120.0°	120.0°
C8	C7	N2	H12	7.0°	0.0°
C7	O1	C1	O5	155.6°	152.1°
C7	O1	C1	H1	89.4°	87.4°
O1	C7	C8	H9	0.0°	0.1°
O1	C7	C8	H10	120.0°	119.9°
O1	C7	C8	H11	120.0°	120.1°
O1	C7	N2	H12	172.7°	180.0°
O5	C1	O1	H1	115.0°	120.5°
O5	C1	C2	H2	88.5°	93.8°
C1	O5	C5	H5	80.2°	62.1°
O1	C1	C2	H2	145.9°	143.5°
C6	O6	S02	O02	40.1°	165.0°
C6	O6	S02	O03	77.8°	45.0°
C6	O6	S02	O01	163.4°	75.0°
O6	C6	C5	H5	59.1°	54.4°
O6	C6	H6	H7	121.4°	120.0°
O02	S02	O6	O03	117.8°	120.0°
O02	S02	O6	O01	123.3°	120.0°
O02	S02	O03	O01	132.1°	127.0°
O6	S02	O03	O01	113.3°	116.6°
S02	O6	C6	H6	82.8°	60.0°
S02	O6	C6	H7	38.2°	60.0°
H1	C1	C2	H2	34.1°	29.0°
H2	C2	C3	H3	164.6°	154.0°
H2	C2	N2	H12	38.7°	45.5°
H3	C3	C4	H4	179.4°	175.9°
H3	C3	O3	H14	60.3°	58.8°
H4	C4	C5	H5	173.3°	176.6°
H4	C4	O4	H15	59.6°	59.5°
H5	C5	C6	H6	60.4°	65.6°
H5	C5	C6	H7	178.6°	174.4°
H9	C8	H10	H11	120.0°	120.0°

Release date:	2021-05-19
Definition date:	2020-05-12
Last modified:	2021-05-14
Release status:	REL
Processing site:	PDBE
Derived from:	6Z14