A1JNP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	S1	doub	1.42Å	1.42Å
O3	S1	doub	1.42Å	1.54Å
S1	N1	sing	1.66Å	1.61Å
S1	O1	sing	1.52Å	1.42Å
N1	C2	sing	1.47Å	1.47Å
C1	C2	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.54Å
C4	C3	sing	1.51Å	1.55Å
C4	O4	doub	1.21Å	1.19Å
C3	N2	sing	1.46Å	1.45Å
N2	C5	sing	1.35Å	1.32Å
O5	C5	doub	1.21Å	1.22Å
C8	C7	sing	1.53Å	1.48Å
C5	C6	sing	1.48Å	1.50Å
O6	C7	sing	1.43Å	1.44Å
O6	N3	sing	1.42Å	1.41Å
C6	N3	doub	1.30Å	1.30Å
C6	C9	sing	1.48Å	1.40Å
N4	C9	doub	1.31Å	1.34Å	Aromatic
N4	S2	sing	1.70Å	1.63Å	Aromatic
C9	N6	sing	1.32Å	1.37Å	Aromatic
S2	C10	sing	1.72Å	1.75Å	Aromatic
N6	C10	doub	1.31Å	1.36Å	Aromatic
C10	N5	sing	1.38Å	1.33Å
C4	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
N2	H12	sing	0.97Å	1.00Å
N1	H13	sing	0.97Å	1.00Å
N5	H14	sing	0.97Å	1.00Å
N5	H15	sing	0.97Å	1.00Å
O1	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	S1	O3	111.4°	123.1°
O2	S1	N1	105.1°	106.4°
O2	S1	O1	117.8°	106.4°
O3	S1	N1	101.1°	106.4°
O3	S1	O1	108.0°	106.4°
N1	S1	O1	112.1°	107.2°
S1	N1	C2	120.5°	120.0°
S1	N1	H13	106.6°	120.0°
S1	O1	H16	109.5°	114.0°
N1	C2	C1	111.0°	109.5°
N1	C2	C3	111.2°	109.5°
N1	C2	H8	108.2°	109.5°
C2	N1	H13	106.6°	120.0°
C1	C2	C3	111.5°	109.5°
C2	C1	H5	109.5°	109.5°
C2	C1	H6	109.5°	109.5°
C2	C1	H7	109.5°	109.5°
C1	C2	H8	107.5°	109.5°
C2	C3	C4	111.1°	109.5°
C2	C3	N2	105.3°	109.5°
C3	C2	H8	107.3°	109.4°
C2	C3	H9	110.3°	109.4°
C3	C4	O4	119.7°	120.0°
C4	C3	N2	108.2°	109.5°
C3	C4	H1	120.2°	120.0°
C4	C3	H9	110.2°	109.5°
O4	C4	H1	120.1°	120.0°
C3	N2	C5	123.5°	120.0°
N2	C3	H9	111.7°	109.5°
C3	N2	H12	118.2°	119.9°
N2	C5	O5	124.1°	120.0°
N2	C5	C6	115.3°	120.0°
C5	N2	H12	118.2°	120.1°
O5	C5	C6	120.2°	120.0°
C8	C7	O6	110.2°	109.5°
C7	C8	H2	109.5°	109.5°
C7	C8	H3	109.5°	109.5°
C7	C8	H4	109.5°	109.5°
C8	C7	H10	109.3°	109.5°
C8	C7	H11	109.3°	109.5°
C5	C6	N3	123.6°	120.0°
C5	C6	C9	117.2°	120.0°
C7	O6	N3	108.8°	114.0°
O6	C7	H10	109.3°	109.5°
O6	C7	H11	109.3°	109.4°
O6	N3	C6	112.7°	120.0°
N3	C6	C9	118.8°	120.0°
C6	C9	N4	121.7°	121.3°
C6	C9	N6	120.8°	121.3°
C9	N4	S2	111.7°	105.8°
N4	C9	N6	117.3°	117.4°
N4	S2	C10	89.8°	94.7°
C9	N6	C10	106.4°	116.8°
S2	C10	N6	113.5°	105.3°
S2	C10	N5	123.2°	127.4°
N6	C10	N5	123.2°	127.4°
C10	N5	H14	109.5°	120.0°
C10	N5	H15	109.4°	120.0°
H2	C8	H3	109.4°	109.5°
H2	C8	H4	109.5°	109.5°
H3	C8	H4	109.5°	109.5°
H5	C1	H6	109.5°	109.5°
H5	C1	H7	109.5°	109.4°
H6	C1	H7	109.4°	109.4°
H10	C7	H11	109.4°	109.5°
H14	N5	H15	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	S1	O3	N1	111.3°	123.0°
O2	S1	O3	O1	130.9°	122.9°
O2	S1	N1	O1	129.2°	113.5°
O2	S1	N1	C2	166.4°	178.6°
O2	S1	N1	H13	72.0°	1.5°
O2	S1	O1	H16	127.2°	66.5°
O3	S1	N1	O1	114.8°	113.6°
O3	S1	N1	C2	77.6°	48.5°
O3	S1	N1	H13	44.0°	131.4°
O3	S1	O1	H16	0.0°	66.4°
S1	N1	C2	H13	121.5°	179.9°
S1	N1	C2	C1	115.5°	95.0°
S1	N1	C2	C3	119.8°	145.0°
S1	N1	C2	H8	2.2°	25.1°
N1	S1	O1	H16	110.6°	180.0°
O1	S1	N1	C2	37.3°	65.0°
O1	S1	N1	H13	158.8°	115.0°
N1	C2	C1	C3	124.6°	120.0°
N1	C2	C1	H8	118.1°	120.1°
N1	C2	C3	H8	118.1°	120.0°
N1	C2	C3	C4	48.2°	60.0°
N1	C2	C3	N2	165.2°	180.0°
N1	C2	C1	H5	180.0°	60.0°
N1	C2	C1	H6	60.0°	60.0°
N1	C2	C1	H7	60.0°	180.0°
N1	C2	C3	H9	74.2°	60.0°
C1	C2	C3	H8	117.5°	120.0°
C1	C2	C3	C4	172.7°	180.0°
C1	C2	C3	N2	70.4°	60.0°
C2	C1	H5	H6	120.0°	120.0°
C2	C1	H5	H7	120.0°	120.0°
C2	C1	H6	H7	120.0°	120.0°
C1	C2	C3	H9	50.2°	60.0°
C1	C2	N1	H13	6.0°	84.9°
C2	C3	C4	N2	115.1°	120.0°
C2	C3	C4	H9	122.5°	119.9°
C2	C3	C4	O4	82.3°	120.0°
C2	C3	N2	H9	119.7°	119.9°
C2	C3	N2	C5	124.5°	155.0°
C2	C3	C4	H1	97.7°	60.3°
C3	C2	C1	H5	55.5°	180.0°
C3	C2	C1	H6	175.5°	60.0°
C3	C2	C1	H7	64.6°	60.0°
C2	C3	N2	H12	55.5°	25.1°
C3	C2	N1	H13	118.7°	35.1°
C3	C4	O4	H1	180.0°	179.7°
C4	C3	N2	H9	121.4°	120.0°
C4	C3	N2	C5	116.6°	85.0°
C4	C3	C2	H8	69.9°	60.0°
C4	C3	N2	H12	63.4°	94.9°
O4	C4	C3	N2	32.8°	0.0°
O4	C4	C3	H9	155.2°	120.0°
C3	N2	C5	H12	180.0°	180.0°
C3	N2	C5	O5	0.1°	4.9°
C3	N2	C5	C6	173.7°	175.2°
N2	C3	C4	H1	147.2°	179.7°
N2	C3	C2	H8	47.1°	60.1°
N2	C5	O5	C6	173.3°	179.9°
N2	C5	C6	N3	65.1°	174.1°
N2	C5	C6	C9	107.3°	5.8°
C5	N2	C3	H9	4.8°	35.0°
O5	C5	C6	N3	121.1°	6.0°
O5	C5	C6	C9	66.5°	174.1°
O5	C5	N2	H12	179.9°	175.0°
C8	C7	O6	H10	120.1°	120.0°
C8	C7	O6	H11	120.1°	120.0°
C8	C7	O6	N3	177.8°	180.0°
C7	C8	H2	H3	120.0°	120.0°
C7	C8	H2	H4	120.0°	120.0°
C7	C8	H3	H4	120.0°	120.0°
C8	C7	H10	H11	119.6°	120.0°
C5	C6	N3	O6	2.9°	5.1°
C5	C6	N3	C9	172.3°	179.9°
C5	C6	C9	N4	12.6°	5.5°
C5	C6	C9	N6	172.2°	174.3°
C6	C5	N2	H12	6.3°	4.9°
C7	O6	N3	C6	170.3°	180.0°
O6	C7	C8	H2	180.0°	60.0°
O6	C7	C8	H3	60.0°	180.0°
O6	C7	C8	H4	60.0°	60.0°
O6	C7	H10	H11	119.7°	120.0°
O6	N3	C6	C9	169.4°	174.9°
N3	O6	C7	H10	57.7°	60.0°
N3	O6	C7	H11	62.1°	60.0°
N3	C6	C9	N4	160.1°	174.6°
N3	C6	C9	N6	15.0°	5.7°
C6	C9	N4	N6	175.3°	179.7°
C6	C9	N4	S2	162.7°	180.0°
C6	C9	N6	C10	166.7°	179.7°
C9	N4	S2	C10	9.1°	0.0°
N4	C9	N6	C10	8.6°	0.6°
S2	N4	C9	N6	12.6°	0.3°
N4	S2	C10	N6	4.5°	0.2°
N4	S2	C10	N5	176.0°	180.0°
C9	N6	C10	S2	1.3°	0.5°
C9	N6	C10	N5	178.2°	179.8°
S2	C10	N6	N5	179.5°	179.7°
S2	C10	N5	H14	0.0°	0.0°
S2	C10	N5	H15	120.0°	180.0°
N6	C10	N5	H14	179.4°	179.7°
N6	C10	N5	H15	59.4°	0.3°
C10	N5	H14	H15	120.0°	180.0°
H1	C4	C3	H9	24.8°	59.7°
H2	C8	H3	H4	120.0°	120.0°
H2	C8	C7	H10	59.9°	180.0°
H2	C8	C7	H11	59.9°	60.0°
H3	C8	C7	H10	60.1°	60.0°
H3	C8	C7	H11	179.8°	60.0°
H4	C8	C7	H10	179.9°	60.0°
H4	C8	C7	H11	60.1°	180.0°
H5	C1	H6	H7	120.0°	120.0°
H5	C1	C2	H8	61.9°	60.0°
H6	C1	C2	H8	58.1°	179.9°
H7	C1	C2	H8	178.1°	60.0°
H8	C2	C3	H9	167.7°	180.0°
H8	C2	N1	H13	123.8°	155.0°
H9	C3	N2	H12	175.2°	145.0°

Release date:	2026-02-18
Definition date:	2025-08-22
Last modified:	2026-02-13
Release status:	REL
Processing site:	PDBE
Derived from:	9SGC