A1A47

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C10	sing	1.41Å	1.34Å
N2	S2	sing	1.66Å	1.68Å
C3	C2	sing	1.54Å	1.54Å
C3	C4	sing	1.55Å	1.52Å
C6	C11	sing	1.40Å	1.41Å	Aromatic
C6	C7	doub	1.38Å	1.41Å	Aromatic
C6	S1	sing	1.76Å	1.78Å
C9	C10	sing	1.40Å	1.41Å	Aromatic
C9	C8	doub	1.38Å	1.41Å	Aromatic
C1	C2	sing	1.51Å	1.53Å
C1	O1	doub	1.21Å	1.25Å
C1	O4	sing	1.34Å	1.25Å
C10	C11	doub	1.38Å	1.40Å	Aromatic
C11	N3	sing	1.41Å	1.34Å
C2	N1	sing	1.47Å	1.46Å
C4	C5	sing	1.55Å	1.53Å
C5	N1	sing	1.47Å	1.46Å
C7	C8	sing	1.38Å	1.41Å	Aromatic
N1	S1	sing	1.66Å	1.70Å
N3	S2	sing	1.77Å	1.68Å
O2	S1	doub	1.42Å	1.45Å
O3	S1	doub	1.42Å	1.44Å
N2	H11	sing	0.97Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C9	H10	sing	1.08Å	1.08Å
C2	H1	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.08Å	1.08Å
C8	H9	sing	1.08Å	1.08Å
N3	H12	sing	1.01Å	1.00Å
O4	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	N2	S2	104.8°	107.3°
N2	C10	C9	123.2°	125.1°
N2	C10	C11	115.5°	116.1°
C10	N2	H11	110.6°	126.4°
N2	S2	N3	99.3°	97.4°
S2	N2	H11	110.6°	126.3°
C2	C3	C4	106.6°	102.9°
C3	C2	C1	112.0°	109.9°
C3	C2	N1	105.7°	107.3°
C2	C3	H3	110.2°	110.7°
C2	C3	H2	110.2°	110.7°
C3	C2	H1	108.5°	109.9°
C3	C4	C5	106.6°	101.6°
C4	C3	H3	110.2°	110.8°
C4	C3	H2	110.2°	110.7°
C3	C4	H4	110.2°	111.0°
C3	C4	H5	110.2°	111.1°
C11	C6	C7	119.7°	120.8°
C11	C6	S1	120.8°	119.6°
C6	C11	C10	119.7°	119.8°
C6	C11	N3	124.5°	125.9°
C7	C6	S1	119.5°	119.6°
C6	C7	C8	120.2°	119.6°
C6	C7	H8	119.9°	120.2°
C6	S1	N1	106.5°	107.2°
C6	S1	O2	107.4°	106.4°
C6	S1	O3	109.4°	106.4°
C10	C9	C8	119.0°	121.0°
C9	C10	C11	121.3°	118.8°
C10	C9	H10	120.5°	119.5°
C9	C8	C7	120.2°	120.0°
C8	C9	H10	120.5°	119.5°
C9	C8	H9	119.9°	120.0°
C2	C1	O1	117.4°	120.0°
C2	C1	O4	116.7°	120.0°
C1	C2	N1	112.4°	109.9°
C1	C2	H1	108.6°	109.9°
O1	C1	O4	125.9°	120.0°
C1	O4	H13	109.5°	117.1°
C10	C11	N3	115.8°	114.3°
C11	N3	S2	104.5°	104.8°
C11	N3	H12	110.7°	111.0°
C2	N1	C5	110.9°	108.7°
C2	N1	S1	116.1°	125.7°
N1	C2	H1	109.6°	110.0°
C4	C5	N1	106.9°	104.8°
C5	C4	H4	110.2°	111.0°
C5	C4	H5	110.2°	111.0°
C4	C5	H6	110.1°	110.4°
C4	C5	H7	110.1°	110.4°
C5	N1	S1	116.6°	125.6°
N1	C5	H6	110.1°	110.4°
N1	C5	H7	110.1°	110.3°
C8	C7	H8	119.9°	120.2°
C7	C8	H9	119.9°	120.0°
N1	S1	O2	106.8°	106.4°
N1	S1	O3	108.6°	106.4°
S2	N3	H12	110.7°	110.9°
O2	S1	O3	117.5°	123.1°
H3	C3	H2	109.4°	110.8°
H4	C4	H5	109.4°	110.9°
H6	C5	H7	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	N2	S2	H11	119.3°	179.8°
N2	C10	C11	C6	179.4°	179.9°
N2	C10	C9	C11	179.8°	179.9°
N2	C10	C9	C8	179.9°	180.0°
N2	C10	C11	N3	0.4°	0.0°
C10	N2	S2	N3	0.4°	0.0°
N2	C10	C9	H10	0.0°	0.1°
S2	N2	C10	C9	179.7°	180.0°
S2	N2	C10	C11	0.1°	0.0°
N2	S2	N3	C11	0.6°	0.0°
N2	S2	N3	H12	118.6°	119.9°
C2	C3	C4	H3	119.6°	118.4°
C2	C3	C4	H2	119.6°	118.4°
C3	C2	C1	N1	118.8°	117.8°
C3	C2	C1	H1	119.8°	121.0°
C3	C2	C1	O1	103.0°	92.3°
C3	C2	C1	O4	77.4°	87.7°
C3	C2	N1	H1	116.7°	119.5°
C2	C3	C4	C5	8.1°	35.5°
C3	C2	N1	C5	19.0°	1.1°
C3	C2	N1	S1	117.1°	178.9°
C2	C3	H3	H2	121.3°	123.2°
C2	C3	C4	H4	111.5°	153.6°
C2	C3	C4	H5	127.6°	82.6°
C4	C3	C2	C1	106.4°	141.6°
C4	C3	C2	N1	16.3°	22.2°
C3	C4	C5	H4	119.6°	118.0°
C3	C4	C5	H5	119.6°	118.1°
C3	C4	C5	N1	3.1°	37.1°
C4	C3	H3	H2	121.3°	123.3°
C4	C3	C2	H1	133.7°	97.4°
C3	C4	H4	H5	121.3°	123.9°
C3	C4	C5	H6	116.5°	81.8°
C3	C4	C5	H7	122.7°	155.9°
C11	C6	C7	S1	178.7°	179.9°
C6	C11	C10	C9	0.8°	0.0°
C6	C11	C10	N3	179.0°	180.0°
C11	C6	C7	C8	0.2°	0.0°
C11	C6	S1	N1	66.8°	65.7°
C6	C11	N3	S2	179.6°	180.0°
C11	C6	S1	O2	47.4°	47.9°
C11	C6	S1	O3	176.1°	179.2°
C11	C6	C7	H8	179.8°	180.0°
C6	C11	N3	H12	60.4°	60.2°
C6	C7	C8	C9	0.4°	0.0°
C7	C6	C11	C10	0.8°	0.0°
C7	C6	C11	N3	179.8°	180.0°
C6	C7	C8	H8	180.0°	180.0°
C7	C6	S1	N1	114.6°	114.4°
C7	C6	S1	O2	131.3°	132.1°
C7	C6	S1	O3	2.6°	0.8°
C6	C7	C8	H9	179.6°	180.0°
S1	C6	C11	C10	179.5°	180.0°
S1	C6	C11	N3	1.6°	0.1°
C6	S1	N1	C2	70.5°	84.4°
C6	S1	N1	C5	155.9°	95.6°
S1	C6	C7	C8	178.9°	180.0°
C6	S1	N1	O2	114.6°	113.5°
C6	S1	N1	O3	117.7°	113.5°
C6	S1	O2	O3	123.8°	122.9°
S1	C6	C7	H8	1.1°	0.0°
C10	C9	C8	H10	180.0°	180.0°
C9	C10	C11	N3	179.8°	179.9°
C10	C9	C8	C7	0.5°	0.0°
C9	C10	N2	H11	60.4°	0.2°
C10	C9	C8	H9	179.6°	179.9°
C8	C9	C10	C11	0.2°	0.1°
C9	C8	C7	H9	180.0°	180.0°
C9	C8	C7	H8	179.6°	180.0°
C2	C1	O1	O4	179.6°	180.0°
C1	C2	N1	H1	120.8°	121.1°
C1	C2	N1	C5	103.4°	118.4°
C1	C2	N1	S1	120.5°	61.6°
C1	C2	C3	H3	13.2°	23.2°
C1	C2	C3	H2	134.1°	100.0°
C2	C1	O4	H13	179.6°	180.0°
O1	C1	C2	N1	15.9°	25.5°
O1	C1	C2	H1	137.2°	146.7°
O1	C1	O4	H13	0.0°	0.0°
O4	C1	C2	N1	163.8°	154.5°
O4	C1	C2	H1	42.5°	33.3°
C10	C11	N3	S2	0.7°	0.0°
C11	C10	N2	H11	119.4°	179.7°
C11	C10	C9	H10	179.8°	180.0°
C10	C11	N3	H12	118.6°	119.9°
C11	N3	S2	H12	119.2°	119.9°
C2	N1	C5	C4	14.1°	24.2°
C2	N1	C5	S1	135.9°	180.0°
C2	N1	S1	O2	174.9°	162.1°
C2	N1	S1	O3	47.2°	29.1°
N1	C2	C3	H3	135.9°	96.2°
N1	C2	C3	H2	103.2°	140.6°
C2	N1	C5	H6	105.5°	94.7°
C2	N1	C5	H7	133.7°	143.0°
C4	C5	N1	H6	119.6°	118.9°
C4	C5	N1	H7	119.6°	118.8°
C4	C5	N1	S1	121.8°	155.8°
C5	C4	C3	H3	127.6°	82.8°
C5	C4	C3	H2	111.5°	153.9°
C5	C4	H4	H5	121.3°	123.9°
C4	C5	H6	H7	121.2°	122.3°
C5	N1	S1	O2	41.3°	17.9°
C5	N1	S1	O3	86.3°	150.8°
C5	N1	C2	H1	135.8°	120.6°
N1	C5	C4	H4	122.7°	155.1°
N1	C5	C4	H5	116.5°	81.1°
N1	C5	H6	H7	121.2°	122.2°
C7	C8	C9	H10	179.6°	180.0°
N1	S1	O2	O3	122.2°	123.0°
S1	N1	C2	H1	0.4°	59.4°
S1	N1	C5	H6	118.6°	85.3°
S1	N1	C5	H7	2.2°	37.0°
N3	S2	N2	H11	119.7°	179.7°
H3	C3	C2	H1	106.7°	144.2°
H3	C3	C4	H4	8.1°	35.2°
H3	C3	C4	H5	112.8°	159.1°
H2	C3	C2	H1	14.2°	21.0°
H2	C3	C4	H4	128.9°	88.1°
H2	C3	C4	H5	8.1°	35.8°
H10	C9	C8	H9	0.4°	0.0°
H4	C4	C5	H6	3.1°	36.2°
H4	C4	C5	H7	117.7°	86.1°
H5	C4	C5	H6	124.0°	160.0°
H5	C4	C5	H7	3.1°	37.7°
H8	C7	C8	H9	0.4°	0.0°

Release date:	2025-06-11
Definition date:	2024-09-09
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HCE