A1DSP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.45Å	1.42Å
O1	C2	sing	1.35Å	1.35Å
O2	C2	doub	1.21Å	1.23Å
C2	N1	sing	1.35Å	1.39Å
N1	C3	sing	1.40Å	1.42Å
C3	C16	doub	1.39Å	1.42Å	Aromatic
C3	C4	sing	1.39Å	1.41Å	Aromatic
C16	C7	sing	1.38Å	1.42Å	Aromatic
C4	C5	doub	1.38Å	1.41Å	Aromatic
C7	C8	sing	1.51Å	1.52Å
C7	C6	doub	1.38Å	1.41Å	Aromatic
C8	N2	sing	1.46Å	1.46Å
C5	C6	sing	1.38Å	1.41Å	Aromatic
O3	C9	doub	1.21Å	1.23Å
N2	C9	sing	1.35Å	1.35Å
C9	C10	sing	1.48Å	1.51Å
C10	N3	doub	1.33Å	1.36Å	Aromatic
C10	C15	sing	1.40Å	1.43Å	Aromatic
N3	C11	sing	1.32Å	1.34Å	Aromatic
C14	C15	sing	1.46Å	1.44Å	Aromatic
C14	C13	doub	1.35Å	1.37Å	Aromatic
C15	C12	doub	1.41Å	1.42Å	Aromatic
C11	N4	doub	1.32Å	1.33Å	Aromatic
C13	N5	sing	1.37Å	1.38Å	Aromatic
C12	N4	sing	1.33Å	1.36Å	Aromatic
C12	N5	sing	1.37Å	1.38Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C11	H11	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
C14	H14	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
N1	H4	sing	0.97Å	1.00Å
N2	H10	sing	0.97Å	1.00Å
N5	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	C2	120.5°	117.1°
O1	C1	H1	109.5°	109.6°
O1	C1	H2	109.5°	109.5°
O1	C1	H3	109.5°	109.5°
O1	C2	O2	124.5°	120.0°
O1	C2	N1	111.0°	120.0°
O2	C2	N1	124.5°	120.0°
C2	N1	C3	130.1°	120.0°
C2	N1	H4	114.9°	120.0°
N1	C3	C16	123.3°	120.1°
N1	C3	C4	117.3°	120.0°
C3	N1	H4	115.0°	120.0°
C16	C3	C4	119.3°	119.9°
C3	C16	C7	120.3°	120.0°
C3	C16	H15	119.8°	120.0°
C3	C4	C5	120.3°	119.9°
C3	C4	H5	119.8°	120.1°
C16	C7	C8	121.5°	120.0°
C16	C7	C6	119.6°	120.0°
C7	C16	H15	119.9°	120.0°
C4	C5	C6	120.2°	120.1°
C5	C4	H5	119.8°	120.0°
C4	C5	H6	119.9°	120.0°
C8	C7	C6	118.9°	120.0°
C7	C8	N2	112.5°	109.5°
C7	C8	H8	108.7°	109.5°
C7	C8	H9	108.7°	109.5°
C7	C6	C5	120.2°	120.1°
C7	C6	H7	119.9°	119.9°
C8	N2	C9	126.9°	120.0°
N2	C8	H8	108.7°	109.5°
N2	C8	H9	108.7°	109.5°
C8	N2	H10	116.5°	120.0°
C6	C5	H6	119.9°	119.9°
C5	C6	H7	119.9°	119.9°
O3	C9	N2	123.5°	119.9°
O3	C9	C10	122.0°	120.1°
N2	C9	C10	114.4°	120.0°
C9	N2	H10	116.5°	120.0°
C9	C10	N3	119.6°	120.9°
C9	C10	C15	121.4°	120.9°
N3	C10	C15	118.9°	118.2°
C10	N3	C11	119.1°	121.0°
C10	C15	C14	137.9°	135.3°
C10	C15	C12	115.1°	118.6°
N3	C11	N4	128.5°	122.9°
N3	C11	H11	115.7°	118.5°
C15	C14	C13	107.1°	106.8°
C14	C15	C12	107.0°	106.2°
C15	C14	H14	126.4°	126.6°
C14	C13	N5	108.9°	110.0°
C14	C13	H13	125.5°	125.0°
C13	C14	H14	126.4°	126.6°
C15	C12	N4	126.1°	118.6°
C15	C12	N5	106.8°	107.0°
C11	N4	C12	112.2°	120.7°
N4	C11	H11	115.8°	118.5°
C13	N5	C12	110.1°	110.0°
N5	C13	H13	125.6°	125.0°
C13	N5	H12	124.9°	125.0°
N4	C12	N5	127.0°	134.4°
C12	N5	H12	124.9°	125.0°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.4°
H8	C8	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	O1	C2	O2	0.8°	0.0°
C1	O1	C2	N1	179.1°	179.9°
O1	C1	H1	H2	120.0°	120.0°
O1	C1	H1	H3	120.0°	120.0°
O1	C1	H2	H3	120.0°	120.0°
O1	C2	O2	N1	179.8°	179.9°
O1	C2	N1	C3	168.3°	174.7°
C2	O1	C1	H1	180.0°	180.0°
C2	O1	C1	H2	60.0°	60.0°
C2	O1	C1	H3	60.0°	60.0°
O1	C2	N1	H4	11.7°	5.2°
O2	C2	N1	C3	11.5°	5.4°
O2	C2	N1	H4	168.5°	174.7°
C2	N1	C3	H4	180.0°	179.9°
C2	N1	C3	C16	5.0°	146.8°
C2	N1	C3	C4	175.0°	33.3°
N1	C3	C16	C4	179.9°	179.9°
N1	C3	C16	C7	180.0°	180.0°
N1	C3	C4	C5	179.9°	180.0°
N1	C3	C16	H15	0.0°	0.3°
N1	C3	C4	H5	0.1°	0.1°
C3	C16	C7	H15	180.0°	179.7°
C16	C3	C4	C5	0.0°	0.1°
C3	C16	C7	C8	179.9°	179.7°
C3	C16	C7	C6	0.3°	0.0°
C16	C3	C4	H5	180.0°	180.0°
C16	C3	N1	H4	175.0°	33.3°
C4	C3	C16	C7	0.0°	0.0°
C3	C4	C5	H5	180.0°	179.9°
C3	C4	C5	C6	0.1°	0.1°
C4	C3	C16	H15	180.0°	179.8°
C3	C4	C5	H6	179.9°	180.0°
C4	C3	N1	H4	5.0°	146.7°
C16	C7	C8	C6	179.6°	179.7°
C16	C7	C8	N2	142.7°	90.0°
C16	C7	C6	C5	0.4°	0.0°
C16	C7	C6	H7	179.6°	180.0°
C16	C7	C8	H8	22.3°	150.0°
C16	C7	C8	H9	96.8°	30.0°
C4	C5	C6	C7	0.4°	0.1°
C4	C5	C6	H6	180.0°	180.0°
C4	C5	C6	H7	179.6°	180.0°
C7	C8	N2	H8	120.5°	120.0°
C7	C8	N2	H9	120.4°	120.0°
C8	C7	C6	C5	179.9°	179.7°
C7	C8	N2	C9	104.7°	180.0°
C8	C7	C16	H15	0.1°	0.0°
C8	C7	C6	H7	0.1°	0.2°
C7	C8	H8	H9	118.6°	120.0°
C7	C8	N2	H10	75.3°	0.0°
C6	C7	C8	N2	36.9°	90.3°
C7	C6	C5	H7	180.0°	179.9°
C6	C7	C16	H15	179.7°	179.8°
C7	C6	C5	H6	179.6°	180.0°
C6	C7	C8	H8	157.3°	29.8°
C6	C7	C8	H9	83.5°	149.7°
C8	N2	C9	O3	2.2°	0.0°
C8	N2	C9	H10	180.0°	179.9°
C8	N2	C9	C10	178.9°	180.0°
N2	C8	H8	H9	118.6°	120.0°
C6	C5	C4	H5	179.8°	180.0°
O3	C9	N2	C10	176.7°	180.0°
O3	C9	C10	N3	153.0°	180.0°
O3	C9	C10	C15	29.4°	0.0°
O3	C9	N2	H10	177.8°	180.0°
N2	C9	C10	N3	30.2°	0.1°
N2	C9	C10	C15	147.4°	180.0°
C9	N2	C8	H8	134.9°	59.9°
C9	N2	C8	H9	15.8°	60.0°
C9	C10	N3	C15	177.6°	179.9°
C9	C10	N3	C11	178.4°	179.9°
C9	C10	C15	C14	2.4°	0.4°
C9	C10	C15	C12	178.2°	180.0°
C10	C9	N2	H10	1.1°	0.0°
N3	C10	C15	C14	180.0°	179.5°
N3	C10	C15	C12	0.6°	0.1°
C10	N3	C11	N4	1.0°	0.1°
C10	N3	C11	H11	179.0°	180.0°
C15	C10	N3	C11	0.8°	0.1°
C10	C15	C14	C12	179.5°	179.7°
C10	C15	C14	C13	180.0°	179.8°
C10	C15	C12	N4	0.5°	0.1°
C10	C15	C12	N5	180.0°	179.9°
C10	C15	C14	H14	0.0°	0.1°
N3	C11	N4	H11	180.0°	179.8°
N3	C11	N4	C12	0.8°	0.1°
C15	C14	C13	H14	180.0°	179.9°
C15	C14	C13	N5	0.4°	0.1°
C14	C15	C12	N4	179.9°	179.7°
C14	C15	C12	N5	0.3°	0.3°
C15	C14	C13	H13	179.6°	179.7°
C13	C14	C15	C12	0.5°	0.2°
C14	C13	N5	H13	180.0°	179.6°
C14	C13	N5	C12	0.2°	0.3°
C14	C13	N5	H12	179.8°	179.7°
C15	C12	N4	C11	0.6°	0.1°
C15	C12	N5	C13	0.1°	0.4°
C15	C12	N4	N5	179.4°	180.0°
C12	C15	C14	H14	179.5°	179.7°
C15	C12	N5	H12	179.9°	179.6°
C11	N4	C12	N5	180.0°	179.9°
C13	N5	C12	N4	179.6°	179.6°
C13	N5	C12	H12	180.0°	180.0°
N5	C13	C14	H14	179.5°	180.0°
C12	N4	C11	H11	179.2°	179.9°
N4	C12	N5	H12	0.4°	0.4°
C12	N5	C13	H13	179.8°	180.0°
H13	C13	C14	H14	0.5°	0.4°
H13	C13	N5	H12	0.2°	0.1°
H1	C1	H2	H3	120.0°	119.9°
H5	C4	C5	H6	0.2°	0.1°
H6	C5	C6	H7	0.4°	0.1°
H8	C8	N2	H10	45.1°	120.0°
H9	C8	N2	H10	164.2°	120.0°

Release date:	2026-11-04
Definition date:	2026-08-19
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15IW