A1PTS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	sing	1.46Å	1.44Å	Aromatic
C11	C6	sing	1.40Å	1.42Å	Aromatic
C11	C8	doub	1.42Å	1.41Å	Aromatic
C1	C6	sing	1.48Å	1.50Å
C1	N1	sing	1.35Å	1.35Å
C1	O1	doub	1.22Å	1.23Å
C10	C9	doub	1.35Å	1.37Å	Aromatic
C2	C3	sing	1.53Å	1.54Å
C2	N1	sing	1.46Å	1.46Å
C3	C4	sing	1.53Å	1.55Å
C3	S1	sing	1.81Å	1.83Å
C4	C5	sing	1.53Å	1.55Å
C5	S1	sing	1.81Å	1.82Å
C6	N2	doub	1.33Å	1.36Å	Aromatic
C7	N2	sing	1.32Å	1.33Å	Aromatic
C7	N3	doub	1.32Å	1.33Å	Aromatic
C8	N3	sing	1.33Å	1.35Å	Aromatic
C8	N4	sing	1.37Å	1.37Å	Aromatic
C9	N4	sing	1.37Å	1.39Å	Aromatic
O2	S1	doub	1.42Å	1.46Å
O3	S1	doub	1.42Å	1.45Å
C10	H12	sing	1.08Å	1.08Å
C2	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
N1	H1	sing	0.97Å	1.00Å
N4	H10	sing	0.97Å	1.00Å
C4	H5	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C6	137.9°	135.3°
C10	C11	C8	106.9°	106.2°
C11	C10	C9	107.3°	106.9°
C11	C10	H12	126.3°	126.6°
C6	C11	C8	115.2°	118.5°
C11	C6	C1	121.6°	120.9°
C11	C6	N2	119.1°	118.3°
C11	C8	N3	125.8°	118.5°
C11	C8	N4	107.3°	107.0°
C6	C1	N1	116.1°	120.0°
C6	C1	O1	121.9°	120.0°
C1	C6	N2	119.3°	120.9°
N1	C1	O1	121.9°	120.0°
C1	N1	C2	122.7°	120.0°
C1	N1	H1	118.7°	119.9°
C10	C9	N4	108.6°	109.9°
C9	C10	H12	126.4°	126.5°
C10	C9	H11	125.7°	125.1°
C3	C2	N1	111.2°	109.4°
C2	C3	C4	119.4°	113.1°
C2	C3	S1	115.9°	113.1°
C3	C2	H2	109.0°	109.5°
C3	C2	H3	109.1°	109.5°
C2	C3	H4	111.4°	112.5°
N1	C2	H2	109.1°	109.5°
N1	C2	H3	109.0°	109.5°
C2	N1	H1	118.6°	120.0°
C4	C3	S1	89.1°	89.9°
C3	C4	C5	97.7°	89.9°
C4	C3	H4	111.2°	113.2°
C3	C4	H6	112.3°	113.2°
C3	C4	H5	112.3°	113.2°
C3	S1	C5	79.6°	73.1°
C3	S1	O2	112.0°	112.8°
C3	S1	O3	113.8°	112.7°
S1	C3	H4	107.8°	113.2°
C4	C5	S1	89.9°	89.9°
C5	C4	H6	112.3°	113.2°
C4	C5	H7	114.1°	113.1°
C4	C5	H8	114.1°	113.2°
C5	C4	H5	112.3°	113.1°
C5	S1	O2	111.8°	112.8°
C5	S1	O3	109.4°	112.7°
S1	C5	H7	114.1°	113.2°
S1	C5	H8	114.1°	113.2°
C6	N2	C7	119.0°	121.0°
N2	C7	N3	128.0°	122.9°
N2	C7	H9	116.0°	118.6°
C7	N3	C8	113.0°	120.8°
N3	C7	H9	116.0°	118.5°
N3	C8	N4	126.9°	134.5°
C8	N4	C9	109.9°	110.0°
C8	N4	H10	125.1°	124.9°
N4	C9	H11	125.7°	125.0°
C9	N4	H10	125.1°	125.0°
O2	S1	O3	122.2°	122.4°
H2	C2	H3	109.5°	109.5°
H6	C4	H5	109.5°	112.5°
H7	C5	H8	109.5°	112.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C6	C8	179.5°	179.7°
C10	C11	C6	C1	1.8°	0.1°
C11	C10	C9	H12	180.0°	179.9°
C10	C11	C6	N2	178.9°	179.9°
C10	C11	C8	N3	180.0°	180.0°
C10	C11	C8	N4	0.2°	0.0°
C11	C10	C9	N4	0.3°	0.4°
C11	C10	C9	H11	179.7°	180.0°
C11	C6	C1	N2	177.1°	179.9°
C11	C6	C1	N1	162.0°	180.0°
C11	C6	C1	O1	14.4°	0.1°
C6	C11	C10	C9	179.8°	180.0°
C11	C6	N2	C7	1.2°	0.1°
C6	C11	C8	N3	0.3°	0.2°
C6	C11	C8	N4	179.8°	179.7°
C6	C11	C10	H12	0.1°	0.1°
C8	C11	C6	C1	177.7°	179.7°
C8	C11	C10	C9	0.3°	0.2°
C8	C11	C6	N2	0.6°	0.2°
C11	C8	N3	C7	0.5°	0.1°
C11	C8	N3	N4	179.8°	179.9°
C11	C8	N4	C9	0.0°	0.3°
C8	C11	C10	H12	179.7°	179.7°
C11	C8	N4	H10	180.0°	179.9°
C6	C1	N1	O1	176.4°	179.9°
C6	C1	N1	C2	177.3°	179.9°
C1	C6	N2	C7	178.3°	180.0°
C6	C1	N1	H1	2.7°	0.1°
C1	N1	C2	C3	78.1°	180.0°
C1	N1	C2	H1	180.0°	180.0°
N1	C1	C6	N2	15.1°	0.1°
C1	N1	C2	H2	42.1°	60.0°
C1	N1	C2	H3	161.6°	60.0°
O1	C1	N1	C2	0.8°	0.0°
O1	C1	C6	N2	168.5°	179.9°
O1	C1	N1	H1	179.1°	180.0°
C10	C9	N4	C8	0.2°	0.5°
C10	C9	N4	H11	180.0°	179.6°
C10	C9	N4	H10	179.8°	179.9°
C3	C2	N1	H2	120.2°	120.0°
C3	C2	N1	H3	120.3°	120.0°
C2	C3	C4	S1	119.5°	115.2°
C2	C3	C4	H4	131.8°	129.4°
C2	C3	S1	H4	125.5°	129.5°
C2	C3	C4	C5	135.1°	148.1°
C2	C3	S1	C5	135.9°	143.8°
C2	C3	S1	O2	26.5°	35.7°
C2	C3	S1	O3	117.3°	108.1°
C3	C2	H2	H3	119.2°	120.0°
C2	C3	C4	H6	106.9°	96.6°
C3	C2	N1	H1	101.9°	0.0°
C2	C3	C4	H5	17.1°	32.9°
N1	C2	C3	C4	156.3°	180.0°
N1	C2	C3	S1	99.0°	79.6°
N1	C2	H2	H3	119.2°	120.0°
N1	C2	C3	H4	24.7°	50.2°
C4	C3	S1	H4	112.0°	115.3°
C3	C4	C5	H6	118.0°	115.3°
C3	C4	C5	H5	118.0°	115.3°
C4	C3	S1	C5	13.4°	28.6°
C4	C3	S1	O2	96.0°	79.5°
C4	C3	S1	O3	120.2°	136.7°
C4	C3	C2	H2	83.4°	60.0°
C4	C3	C2	H3	36.1°	60.0°
C3	C4	H6	H5	125.6°	129.8°
C3	C4	C5	H7	100.7°	82.4°
C3	C4	C5	H8	132.3°	148.2°
C3	S1	C5	O2	109.7°	108.2°
C3	S1	C5	O3	111.7°	108.1°
C3	S1	O2	O3	140.3°	139.8°
S1	C3	C2	H2	21.3°	40.4°
S1	C3	C2	H3	140.7°	160.4°
S1	C3	C4	H6	133.7°	148.2°
C3	S1	C5	H7	103.1°	86.6°
C3	S1	C5	H8	130.0°	143.9°
S1	C3	C4	H5	102.3°	82.3°
C4	C5	S1	H7	116.5°	115.2°
C4	C5	S1	H8	116.5°	115.3°
C4	C5	S1	O2	96.3°	79.6°
C4	C5	S1	O3	125.2°	136.7°
C5	C4	C3	H4	93.1°	82.4°
C5	C4	H6	H5	125.5°	129.8°
C4	C5	H7	H8	129.3°	129.7°
C5	S1	O2	O3	132.4°	139.7°
C5	S1	C3	H4	98.6°	86.7°
S1	C5	C4	H6	133.8°	148.2°
S1	C5	H7	H8	129.3°	129.8°
S1	C5	C4	H5	102.2°	82.4°
C6	N2	C7	N3	1.0°	0.4°
C6	N2	C7	H9	179.0°	179.9°
N2	C7	N3	H9	180.0°	179.6°
N2	C7	N3	C8	0.1°	0.4°
C7	N3	C8	N4	179.6°	180.0°
N3	C8	N4	C9	179.8°	179.7°
C8	N3	C7	H9	179.9°	179.9°
N3	C8	N4	H10	0.1°	0.1°
C8	N4	C9	H10	180.0°	179.6°
C8	N4	C9	H11	179.8°	180.0°
N4	C9	C10	H12	179.7°	179.5°
O2	S1	C3	H4	152.0°	165.2°
O2	S1	C5	H7	147.2°	165.2°
O2	S1	C5	H8	20.3°	35.7°
O3	S1	C3	H4	8.2°	21.4°
O3	S1	C5	H7	8.7°	21.5°
O3	S1	C5	H8	118.3°	108.0°
H12	C10	C9	H11	0.3°	0.1°
H2	C2	C3	H4	144.9°	170.2°
H2	C2	N1	H1	137.9°	120.0°
H3	C2	C3	H4	95.6°	69.8°
H3	C2	N1	H1	18.4°	120.0°
H4	C3	C4	H6	24.9°	32.9°
H4	C3	C4	H5	148.9°	162.3°
H6	C4	C5	H7	17.3°	32.9°
H6	C4	C5	H8	109.6°	96.5°
H7	C5	C4	H5	141.2°	162.4°
H8	C5	C4	H5	14.3°	33.0°
H11	C9	N4	H10	0.2°	0.3°

Release date:	2026-11-04
Definition date:	2026-09-22
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15PO