5X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S19	O20	doub	1.42Å	1.44Å
S19	O21	doub	1.42Å	1.43Å
S19	N22	sing	1.66Å	1.76Å
S19	C24	sing	1.76Å	1.79Å
N22	N1	sing	1.40Å	1.50Å
N22	H22	sing	0.97Å	1.00Å
C24	C25	sing	1.38Å	1.42Å	Aromatic
C24	C30	doub	1.38Å	1.41Å	Aromatic
C25	C26	doub	1.38Å	1.41Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
C26	C27	sing	1.38Å	1.41Å	Aromatic
C26	H26	sing	1.08Å	1.08Å
C27	C29	doub	1.38Å	1.41Å	Aromatic
C27	H27	sing	1.08Å	1.08Å
C29	C30	sing	1.38Å	1.40Å	Aromatic
C29	H29	sing	1.08Å	1.08Å
C30	H30	sing	1.08Å	1.08Å
C1	C2	sing	1.51Å	1.53Å
C1	C14	sing	1.53Å	1.58Å
C1	H11A	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	C3	doub	1.33Å	1.36Å
C2	C4	sing	1.51Å	1.52Å
N1	C9	sing	1.33Å	1.33Å
N1	C7	sing	1.32Å	1.33Å
C9	S1	sing	1.77Å	1.76Å
C9	S2	doub	1.71Å	1.68Å
C14	C7	sing	1.51Å	1.53Å
C14	S1	sing	1.82Å	1.76Å
C14	H14	sing	1.09Å	1.10Å
C7	O1	doub	1.21Å	1.25Å
C3	C5	sing	1.48Å	1.51Å
C3	H3	sing	1.08Å	1.08Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C4	H43	sing	1.09Å	1.10Å
C5	C6	sing	1.40Å	1.41Å	Aromatic
C5	C8	doub	1.40Å	1.41Å	Aromatic
C6	C11	doub	1.38Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C8	C10	sing	1.38Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C10	C13	doub	1.38Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C11	C13	sing	1.38Å	1.41Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O20	S19	O21	120.3°	123.1°
O20	S19	N22	105.7°	106.4°
O20	S19	C24	109.6°	106.4°
O21	S19	N22	103.4°	106.4°
O21	S19	C24	110.5°	106.4°
N22	S19	C24	106.3°	107.2°
S19	N22	N1	116.1°	120.0°
S19	N22	H22	107.3°	120.0°
S19	C24	C25	120.3°	120.0°
S19	C24	C30	119.8°	120.0°
N1	N22	H22	107.3°	120.0°
N22	N1	C9	123.7°	119.4°
N22	N1	C7	124.8°	119.4°
C25	C24	C30	119.9°	120.0°
C24	C25	C26	119.7°	120.0°
C24	C25	H25	120.1°	120.0°
C24	C30	C29	120.2°	120.0°
C24	C30	H30	119.9°	120.0°
C26	C25	H25	120.1°	120.0°
C25	C26	C27	120.0°	120.0°
C25	C26	H26	120.0°	120.0°
C27	C26	H26	120.0°	120.0°
C26	C27	C29	120.3°	120.0°
C26	C27	H27	119.9°	120.1°
C29	C27	H27	119.8°	120.0°
C27	C29	C30	119.9°	120.0°
C27	C29	H29	120.1°	120.0°
C30	C29	H29	120.1°	120.0°
C29	C30	H30	119.9°	120.0°
C2	C1	C14	119.2°	109.5°
C2	C1	H11A	104.1°	109.4°
C2	C1	H12	106.4°	109.5°
C1	C2	C3	117.5°	120.0°
C1	C2	C4	116.7°	120.1°
C14	C1	H11A	104.1°	109.5°
C14	C1	H12	106.3°	109.5°
C1	C14	C7	108.7°	110.7°
C1	C14	S1	116.2°	110.8°
C1	C14	H14	103.4°	110.6°
H11A	C1	H12	117.4°	109.5°
C3	C2	C4	125.7°	120.0°
C2	C3	C5	131.5°	120.0°
C2	C3	H3	114.2°	120.0°
C2	C4	H41	109.4°	109.5°
C2	C4	H42	109.5°	109.4°
C2	C4	H43	109.5°	109.4°
C9	N1	C7	111.4°	121.3°
N1	C9	S1	113.1°	107.7°
N1	C9	S2	126.8°	126.2°
N1	C7	C14	117.7°	113.8°
N1	C7	O1	119.3°	123.1°
S1	C9	S2	119.9°	126.2°
C9	S1	C14	91.7°	94.3°
C7	C14	S1	102.4°	103.0°
C7	C14	H14	117.1°	110.7°
C14	C7	O1	123.0°	123.1°
S1	C14	H14	109.6°	110.8°
C5	C3	H3	114.2°	120.0°
C3	C5	C6	114.0°	120.1°
C3	C5	C8	126.3°	120.1°
H41	C4	H42	109.5°	109.6°
H41	C4	H43	109.5°	109.5°
H42	C4	H43	109.4°	109.5°
C6	C5	C8	119.7°	119.7°
C5	C6	C11	120.0°	119.8°
C5	C6	H6	120.0°	120.1°
C5	C8	C10	119.9°	119.9°
C5	C8	H8	120.1°	120.1°
C11	C6	H6	120.0°	120.1°
C6	C11	C13	120.1°	120.1°
C6	C11	H11	119.9°	119.9°
C10	C8	H8	120.1°	120.1°
C8	C10	C13	120.1°	120.1°
C8	C10	H10	119.9°	120.0°
C13	C10	H10	120.0°	119.9°
C10	C13	C11	120.3°	120.3°
C10	C13	H13	119.9°	119.9°
C13	C11	H11	120.0°	120.0°
C11	C13	H13	119.9°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O20	S19	O21	N22	117.5°	123.0°
O20	S19	O21	C24	129.2°	122.9°
O20	S19	N22	C24	116.4°	113.6°
O20	S19	N22	N1	144.4°	173.6°
O20	S19	N22	H22	24.5°	6.4°
O20	S19	C24	C25	157.5°	23.6°
O20	S19	C24	C30	22.5°	156.1°
O21	S19	N22	C24	116.3°	113.5°
O21	S19	N22	N1	17.2°	53.5°
O21	S19	N22	H22	102.8°	126.5°
O21	S19	C24	C25	22.8°	156.5°
O21	S19	C24	C30	157.2°	23.3°
S19	N22	N1	H22	120.0°	180.0°
N22	S19	C24	C25	88.7°	90.0°
N22	S19	C24	C30	91.4°	90.3°
S19	N22	N1	C9	99.4°	90.0°
S19	N22	N1	C7	84.0°	90.2°
C24	S19	N22	N1	99.1°	60.0°
C24	S19	N22	H22	140.9°	120.0°
S19	C24	C25	C30	180.0°	179.7°
S19	C24	C25	C26	179.9°	180.0°
S19	C24	C25	H25	0.1°	0.0°
S19	C24	C30	C29	179.9°	179.7°
S19	C24	C30	H30	0.1°	0.0°
N22	N1	C9	C7	177.0°	179.8°
N22	N1	C9	S1	166.6°	180.0°
N22	N1	C9	S2	8.9°	0.0°
N22	N1	C7	C14	178.9°	180.0°
N22	N1	C7	O1	3.0°	0.0°
H22	N22	N1	C9	20.5°	90.0°
H22	N22	N1	C7	156.0°	89.8°
C24	C25	C26	H25	180.0°	180.0°
C24	C25	C26	C27	0.2°	0.1°
C24	C25	C26	H26	179.8°	180.0°
C25	C24	C30	C29	0.1°	0.5°
C25	C24	C30	H30	179.9°	179.7°
C30	C24	C25	C26	0.1°	0.2°
C30	C24	C25	H25	179.8°	179.7°
C24	C30	C29	C27	0.1°	0.5°
C24	C30	C29	H30	180.0°	179.7°
C24	C30	C29	H29	179.9°	179.7°
C25	C26	C27	H26	180.0°	179.9°
C25	C26	C27	C29	0.2°	0.1°
C25	C26	C27	H27	179.8°	180.0°
H25	C25	C26	C27	179.8°	180.0°
H25	C25	C26	H26	0.2°	0.1°
C26	C27	C29	H27	180.0°	180.0°
C26	C27	C29	C30	0.2°	0.2°
C26	C27	C29	H29	179.9°	180.0°
H26	C26	C27	C29	179.8°	180.0°
H26	C26	C27	H27	0.2°	0.0°
C27	C29	C30	H29	180.0°	179.8°
C27	C29	C30	H30	179.9°	179.8°
H27	C27	C29	C30	179.8°	179.8°
H27	C27	C29	H29	0.1°	0.0°
H29	C29	C30	H30	0.1°	0.0°
C2	C1	C14	H11A	115.4°	120.0°
C2	C1	C14	H12	120.0°	120.0°
C2	C1	H11A	H12	117.3°	120.0°
C1	C2	C3	C4	177.7°	180.0°
C2	C1	C14	C7	54.6°	175.0°
C2	C1	C14	S1	60.2°	71.3°
C2	C1	C14	H14	179.6°	51.9°
C1	C2	C3	C5	177.1°	172.7°
C1	C2	C3	H3	2.9°	7.2°
C1	C2	C4	H41	109.3°	92.7°
C1	C2	C4	H42	130.6°	147.2°
C1	C2	C4	H43	10.7°	27.3°
C14	C1	H11A	H12	117.2°	120.0°
C14	C1	C2	C3	118.7°	95.0°
C14	C1	C2	C4	63.5°	85.0°
C1	C14	C7	N1	132.9°	118.4°
C1	C14	S1	C9	132.9°	118.4°
C1	C14	C7	S1	123.5°	118.5°
C1	C14	C7	H14	116.6°	123.1°
C1	C14	S1	H14	116.8°	123.2°
C1	C14	C7	O1	49.0°	61.6°
H11A	C1	C2	C3	126.0°	145.0°
H11A	C1	C2	C4	51.9°	35.0°
H11A	C1	C14	C7	169.9°	65.0°
H11A	C1	C14	S1	55.2°	48.6°
H11A	C1	C14	H14	65.0°	171.9°
H12	C1	C2	C3	1.3°	25.0°
H12	C1	C2	C4	176.5°	155.0°
H12	C1	C14	C7	65.4°	55.0°
H12	C1	C14	S1	179.8°	168.6°
H12	C1	C14	H14	59.6°	68.1°
C2	C3	C5	H3	180.0°	179.9°
C3	C2	C4	H41	73.0°	87.3°
C3	C2	C4	H42	47.0°	32.8°
C3	C2	C4	H43	167.0°	152.7°
C2	C3	C5	C6	179.5°	41.2°
C2	C3	C5	C8	1.7°	139.2°
C4	C2	C3	C5	0.6°	7.3°
C4	C2	C3	H3	179.4°	172.8°
C2	C4	H41	H42	120.0°	120.0°
C2	C4	H41	H43	120.0°	119.9°
C2	C4	H42	H43	120.0°	119.9°
N1	C9	S1	S2	175.9°	180.0°
C9	N1	C7	C14	4.1°	0.2°
N1	C9	S1	C14	19.3°	0.1°
C9	N1	C7	O1	174.0°	179.7°
C7	N1	C9	S1	16.4°	0.2°
C7	N1	C9	S2	168.0°	179.8°
N1	C7	C14	O1	178.0°	180.0°
N1	C7	C14	S1	9.4°	0.1°
N1	C7	C14	H14	110.5°	118.6°
C9	S1	C14	C7	14.6°	0.0°
C9	S1	C14	H14	110.4°	118.4°
S2	C9	S1	C14	164.8°	179.9°
C7	C14	S1	H14	125.0°	118.4°
S1	C14	C7	O1	172.5°	179.9°
H14	C14	C7	O1	67.5°	61.4°
C3	C5	C6	C8	178.9°	179.7°
C3	C5	C6	C11	179.3°	180.0°
C3	C5	C6	H6	0.7°	0.1°
C3	C5	C8	C10	179.0°	180.0°
C3	C5	C8	H8	1.0°	0.0°
H3	C3	C5	C6	0.5°	138.8°
H3	C3	C5	C8	178.3°	40.9°
H41	C4	H42	H43	120.0°	120.1°
C5	C6	C11	H6	180.0°	179.9°
C6	C5	C8	C10	0.3°	0.3°
C6	C5	C8	H8	179.7°	179.7°
C5	C6	C11	C13	0.5°	0.0°
C5	C6	C11	H11	179.5°	179.9°
C8	C5	C6	C11	0.4°	0.3°
C8	C5	C6	H6	179.6°	179.8°
C5	C8	C10	H8	180.0°	180.0°
C5	C8	C10	C13	0.2°	0.1°
C5	C8	C10	H10	179.8°	179.9°
C6	C11	C13	C10	0.4°	0.2°
C6	C11	C13	H11	180.0°	180.0°
C6	C11	C13	H13	179.6°	180.0°
H6	C6	C11	C13	179.5°	180.0°
H6	C6	C11	H11	0.4°	0.0°
C8	C10	C13	H10	180.0°	179.9°
C8	C10	C13	C11	0.2°	0.2°
C8	C10	C13	H13	179.8°	180.0°
H8	C8	C10	C13	179.8°	179.9°
H8	C8	C10	H10	0.2°	0.1°
C10	C13	C11	H13	180.0°	179.8°
C10	C13	C11	H11	179.6°	179.8°
H10	C10	C13	C11	179.8°	179.7°
H10	C10	C13	H13	0.2°	0.1°
H11	C11	C13	H13	0.4°	0.0°

Definition date:	2005-09-22
Last modified:	2012-01-05
Release status:	REL
Processing site:	RCSB
Derived from:	2AX0