A1DYV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	S1	sing	1.81Å	1.84Å
O2	S1	doub	1.42Å	1.47Å
S1	O1	doub	1.42Å	1.47Å
S1	C2	sing	1.76Å	1.78Å
C2	C15	doub	1.38Å	1.41Å	Aromatic
C2	C3	sing	1.38Å	1.41Å	Aromatic
C15	C6	sing	1.38Å	1.41Å	Aromatic
C3	C4	doub	1.38Å	1.41Å	Aromatic
C6	C7	sing	1.51Å	1.52Å
C6	C5	doub	1.38Å	1.41Å	Aromatic
C7	N1	sing	1.46Å	1.46Å
C4	C5	sing	1.38Å	1.41Å	Aromatic
O3	C8	doub	1.22Å	1.23Å
N1	C8	sing	1.35Å	1.35Å
C8	C9	sing	1.48Å	1.50Å
C9	N2	doub	1.33Å	1.36Å	Aromatic
C9	C14	sing	1.40Å	1.43Å	Aromatic
N2	C10	sing	1.32Å	1.34Å	Aromatic
C13	C14	sing	1.46Å	1.44Å	Aromatic
C13	C12	doub	1.35Å	1.37Å	Aromatic
C14	C11	doub	1.42Å	1.42Å	Aromatic
C12	N4	sing	1.37Å	1.38Å	Aromatic
C10	N3	doub	1.32Å	1.33Å	Aromatic
C11	N3	sing	1.33Å	1.36Å	Aromatic
C11	N4	sing	1.37Å	1.38Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
N1	H9	sing	0.97Å	1.00Å
N4	H11	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	S1	O2	108.3°	110.5°
C1	S1	O1	108.4°	110.5°
C1	S1	C2	103.0°	104.5°
S1	C1	H1	109.5°	109.5°
S1	C1	H2	109.4°	109.5°
S1	C1	H3	109.5°	109.5°
O2	S1	O1	119.2°	121.0°
O2	S1	C2	108.2°	104.3°
O1	S1	C2	108.6°	104.3°
S1	C2	C15	120.0°	120.0°
S1	C2	C3	119.0°	120.0°
C15	C2	C3	120.9°	120.0°
C2	C15	C6	119.5°	120.0°
C2	C15	H14	120.3°	120.0°
C2	C3	C4	119.6°	120.0°
C2	C3	H4	120.2°	120.0°
C15	C6	C7	120.9°	120.0°
C15	C6	C5	119.6°	120.0°
C6	C15	H14	120.3°	120.0°
C3	C4	C5	119.8°	120.0°
C4	C3	H4	120.2°	120.0°
C3	C4	H5	120.1°	120.0°
C7	C6	C5	119.5°	120.0°
C6	C7	N1	110.1°	109.4°
C6	C7	H7	109.3°	109.5°
C6	C7	H8	109.3°	109.5°
C6	C5	C4	120.6°	120.0°
C6	C5	H6	119.7°	119.9°
C7	N1	C8	125.6°	120.0°
N1	C7	H7	109.3°	109.5°
N1	C7	H8	109.3°	109.4°
C7	N1	H9	117.2°	120.1°
C5	C4	H5	120.1°	120.0°
C4	C5	H6	119.7°	120.1°
O3	C8	N1	123.6°	120.0°
O3	C8	C9	121.6°	120.0°
N1	C8	C9	114.8°	120.0°
C8	N1	H9	117.2°	120.0°
C8	C9	N2	118.4°	120.8°
C8	C9	C14	122.3°	120.9°
N2	C9	C14	119.2°	118.2°
C9	N2	C10	119.3°	121.0°
C9	C14	C13	138.3°	135.3°
C9	C14	C11	114.5°	118.6°
N2	C10	N3	128.4°	122.9°
N2	C10	H10	115.8°	118.6°
C14	C13	C12	107.0°	106.9°
C13	C14	C11	107.2°	106.1°
C14	C13	H13	126.5°	126.5°
C13	C12	N4	109.0°	110.0°
C12	C13	H13	126.5°	126.6°
C13	C12	H12	125.5°	125.0°
C14	C11	N3	126.6°	118.5°
C14	C11	N4	106.5°	107.0°
C12	N4	C11	110.3°	110.0°
N4	C12	H12	125.5°	125.0°
C12	N4	H11	124.8°	125.0°
C10	N3	C11	112.0°	120.7°
N3	C10	H10	115.8°	118.6°
N3	C11	N4	126.9°	134.5°
C11	N4	H11	124.8°	125.0°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.5°
H7	C7	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	S1	O2	O1	124.4°	131.5°
C1	S1	O2	C2	111.0°	111.7°
C1	S1	O1	C2	111.2°	111.8°
C1	S1	C2	C15	107.0°	90.0°
C1	S1	C2	C3	72.8°	90.0°
S1	C1	H1	H2	120.0°	120.0°
S1	C1	H1	H3	120.0°	120.0°
S1	C1	H2	H3	120.0°	120.0°
O2	S1	O1	C2	124.5°	116.8°
O2	S1	C2	C15	7.5°	153.9°
O2	S1	C2	C3	172.7°	26.0°
O2	S1	C1	H1	180.0°	68.4°
O2	S1	C1	H2	60.0°	171.7°
O2	S1	C1	H3	60.0°	51.7°
O1	S1	C2	C15	138.2°	26.1°
O1	S1	C2	C3	42.0°	153.9°
O1	S1	C1	H1	49.4°	68.3°
O1	S1	C1	H2	169.4°	51.6°
O1	S1	C1	H3	70.6°	171.6°
S1	C2	C15	C3	179.8°	180.0°
S1	C2	C15	C6	179.8°	180.0°
S1	C2	C3	C4	179.8°	180.0°
S1	C2	C15	H14	0.2°	0.3°
C2	S1	C1	H1	65.5°	180.0°
C2	S1	C1	H2	54.5°	60.0°
C2	S1	C1	H3	174.5°	60.0°
S1	C2	C3	H4	0.2°	0.1°
C2	C15	C6	H14	180.0°	179.7°
C15	C2	C3	C4	0.0°	0.0°
C2	C15	C6	C7	179.7°	179.7°
C2	C15	C6	C5	0.2°	0.0°
C15	C2	C3	H4	180.0°	179.9°
C3	C2	C15	C6	0.1°	0.0°
C2	C3	C4	H4	180.0°	179.9°
C2	C3	C4	C5	0.1°	NaN°
C3	C2	C15	H14	180.0°	179.7°
C2	C3	C4	H5	179.9°	179.9°
C15	C6	C7	C5	179.5°	179.7°
C15	C6	C7	N1	138.2°	90.0°
C15	C6	C5	C4	0.4°	NaN°
C15	C6	C5	H6	179.6°	180.0°
C15	C6	C7	H7	18.1°	150.0°
C15	C6	C7	H8	101.7°	29.9°
C3	C4	C5	C6	0.3°	NaN°
C3	C4	C5	H5	180.0°	179.9°
C3	C4	C5	H6	179.6°	180.0°
C6	C7	N1	H7	120.1°	120.1°
C6	C7	N1	H8	120.1°	120.0°
C7	C6	C5	C4	179.9°	179.7°
C6	C7	N1	C8	95.9°	180.0°
C7	C6	C15	H14	0.3°	0.0°
C7	C6	C5	H6	0.1°	0.3°
C6	C7	H7	H8	119.7°	120.0°
C6	C7	N1	H9	84.1°	0.0°
C5	C6	C7	N1	41.3°	90.3°
C6	C5	C4	H6	180.0°	180.0°
C5	C6	C15	H14	179.8°	179.7°
C6	C5	C4	H5	179.7°	179.9°
C5	C6	C7	H7	161.4°	29.7°
C5	C6	C7	H8	78.8°	149.7°
C7	N1	C8	O3	0.2°	0.1°
C7	N1	C8	H9	180.0°	179.9°
C7	N1	C8	C9	178.4°	180.0°
N1	C7	H7	H8	119.7°	120.0°
C5	C4	C3	H4	179.9°	179.9°
O3	C8	N1	C9	178.2°	179.9°
O3	C8	C9	N2	160.6°	180.0°
O3	C8	C9	C14	21.1°	0.1°
O3	C8	N1	H9	179.8°	180.0°
N1	C8	C9	N2	21.1°	0.1°
N1	C8	C9	C14	157.2°	180.0°
C8	N1	C7	H7	144.0°	59.9°
C8	N1	C7	H8	24.1°	60.1°
C8	C9	N2	C14	178.3°	179.9°
C8	C9	N2	C10	179.2°	179.9°
C8	C9	C14	C13	1.5°	0.1°
C8	C9	C14	C11	178.8°	180.0°
C9	C8	N1	H9	1.6°	0.1°
N2	C9	C14	C13	179.8°	180.0°
N2	C9	C14	C11	0.5°	0.0°
C9	N2	C10	N3	1.0°	0.0°
C9	N2	C10	H10	179.0°	180.0°
C14	C9	N2	C10	0.8°	0.0°
C9	C14	C13	C11	179.7°	180.0°
C9	C14	C13	C12	180.0°	180.0°
C9	C14	C11	N3	0.2°	0.1°
C9	C14	C11	N4	179.7°	180.0°
C9	C14	C13	H13	0.0°	0.2°
N2	C10	N3	H10	180.0°	180.0°
N2	C10	N3	C11	0.7°	0.1°
C14	C13	C12	H13	180.0°	179.8°
C14	C13	C12	N4	0.6°	0.0°
C13	C14	C11	N3	180.0°	180.0°
C13	C14	C11	N4	0.1°	0.0°
C14	C13	C12	H12	179.4°	180.0°
C12	C13	C14	C11	0.3°	0.0°
C13	C12	N4	H12	180.0°	180.0°
C13	C12	N4	C11	0.7°	0.0°
C13	C12	N4	H11	179.2°	179.9°
C14	C11	N4	C12	0.5°	0.0°
C14	C11	N3	C10	0.3°	0.1°
C14	C11	N3	N4	179.9°	179.9°
C11	C14	C13	H13	179.7°	179.7°
C14	C11	N4	H11	179.5°	179.9°
C12	N4	C11	N3	179.6°	179.9°
C12	N4	C11	H11	180.0°	179.9°
N4	C12	C13	H13	179.4°	179.7°
C10	N3	C11	N4	179.6°	180.0°
C11	N3	C10	H10	179.3°	180.0°
N3	C11	N4	H11	0.4°	0.0°
C11	N4	C12	H12	179.3°	180.0°
H13	C13	C12	H12	0.6°	0.3°
H12	C12	N4	H11	0.8°	0.0°
H1	C1	H2	H3	120.0°	120.0°
H4	C3	C4	H5	0.1°	0.0°
H5	C4	C5	H6	0.3°	0.1°
H7	C7	N1	H9	36.0°	120.0°
H8	C7	N1	H9	155.9°	120.0°

Release date:	2026-11-04
Definition date:	2026-08-25
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15GP