A1BPZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.33Å
O	C	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.52Å
C4	N1	sing	1.47Å	1.47Å
N1	C5	sing	1.35Å	1.35Å
O1	C5	doub	1.21Å	1.22Å
C5	C6	sing	1.51Å	1.52Å
C6	C7	sing	1.51Å	1.51Å
C7	C8	doub	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C7	C12	sing	1.38Å	1.41Å	Aromatic
C12	C13	sing	1.51Å	1.51Å
C13	S	sing	1.81Å	1.79Å
N2	S	sing	1.66Å	1.61Å
O2	S	doub	1.42Å	1.43Å
S	O3	doub	1.42Å	1.43Å
C14	N1	sing	1.47Å	1.47Å
C1	C14	sing	1.54Å	1.53Å
C4	H8	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C8	H11	sing	1.08Å	1.08Å
C10	H13	sing	1.08Å	1.08Å
C13	H16	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
N2	H18	sing	0.97Å	1.00Å
N2	H17	sing	0.97Å	1.00Å
C11	H14	sing	1.08Å	1.08Å
C9	H12	sing	1.08Å	1.08Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C14	H20	sing	1.09Å	1.10Å
C14	H19	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
N	H1	sing	0.97Å	1.00Å
N	H2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	123.1°	119.9°
N	C	C1	115.9°	120.0°
C	N	H1	120.0°	120.0°
C	N	H2	120.0°	120.0°
O	C	C1	121.0°	120.0°
C	C1	C2	111.5°	109.5°
C	C1	C14	113.0°	109.4°
C	C1	H	107.5°	109.5°
C1	C2	C3	111.5°	109.6°
C2	C1	C14	109.8°	109.3°
C1	C2	H4	109.0°	109.4°
C1	C2	H3	109.0°	109.5°
C2	C1	H	107.3°	109.5°
C2	C3	C4	110.9°	109.3°
C2	C3	H6	109.1°	109.5°
C2	C3	H5	109.1°	109.5°
C3	C2	H4	108.9°	109.5°
C3	C2	H3	108.9°	109.5°
C3	C4	N1	110.5°	108.8°
C3	C4	H8	109.2°	109.6°
C3	C4	H7	109.2°	109.7°
C4	C3	H6	109.1°	109.5°
C4	C3	H5	109.1°	109.5°
C4	N1	C5	125.3°	120.6°
C4	N1	C14	113.2°	118.8°
N1	C4	H8	109.2°	109.6°
N1	C4	H7	109.2°	109.6°
N1	C5	O1	122.0°	120.0°
N1	C5	C6	116.6°	120.0°
C5	N1	C14	121.4°	120.6°
O1	C5	C6	121.5°	120.0°
C5	C6	C7	113.0°	109.5°
C5	C6	H10	108.6°	109.5°
C5	C6	H9	108.6°	109.5°
C6	C7	C8	118.7°	120.0°
C6	C7	C12	122.3°	120.0°
C7	C6	H10	108.6°	109.4°
C7	C6	H9	108.6°	109.4°
C7	C8	C9	120.8°	120.0°
C8	C7	C12	118.9°	120.0°
C7	C8	H11	119.6°	120.0°
C8	C9	C10	120.2°	120.0°
C9	C8	H11	119.6°	120.0°
C8	C9	H12	119.9°	120.0°
C9	C10	C11	120.0°	120.0°
C9	C10	H13	120.0°	120.0°
C10	C9	H12	119.9°	120.0°
C10	C11	C12	120.8°	120.0°
C11	C10	H13	120.0°	120.0°
C10	C11	H14	119.6°	120.0°
C11	C12	C7	119.3°	120.0°
C11	C12	C13	118.2°	120.0°
C12	C11	H14	119.6°	120.0°
C7	C12	C13	122.5°	120.0°
C12	C13	S	112.5°	109.4°
C12	C13	H16	108.7°	109.4°
C12	C13	H15	108.7°	109.5°
C13	S	N2	103.1°	104.4°
C13	S	O2	107.8°	110.5°
C13	S	O3	108.1°	110.6°
S	C13	H16	108.7°	109.5°
S	C13	H15	108.7°	109.5°
N2	S	O2	108.0°	104.2°
N2	S	O3	108.4°	104.3°
S	N2	H18	109.5°	120.0°
S	N2	H17	109.5°	120.0°
O2	S	O3	120.1°	121.1°
N1	C14	C1	109.2°	108.5°
N1	C14	H20	109.5°	109.6°
N1	C14	H19	109.5°	109.6°
C1	C14	H20	109.5°	109.7°
C1	C14	H19	109.5°	109.8°
C14	C1	H	107.4°	109.6°
H8	C4	H7	109.5°	109.6°
H10	C6	H9	109.5°	109.5°
H16	C13	H15	109.5°	109.5°
H18	N2	H17	109.5°	120.0°
H6	C3	H5	109.5°	109.5°
H4	C2	H3	109.5°	109.4°
H20	C14	H19	109.5°	109.6°
H1	N	H2	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.5°	180.0°
N	C	C1	C2	99.6°	180.0°
N	C	C1	C14	136.1°	60.3°
N	C	C1	H	17.7°	59.9°
C	N	H1	H2	180.0°	180.0°
O	C	C1	C2	80.8°	0.0°
O	C	C1	C14	43.4°	119.7°
O	C	C1	H	161.8°	120.1°
O	C	N	H1	0.0°	180.0°
O	C	N	H2	180.0°	0.0°
C	C1	C2	C14	126.0°	119.9°
C	C1	C2	H	117.5°	120.1°
C	C1	C2	C3	179.9°	178.7°
C	C1	C14	N1	177.6°	174.7°
C	C1	C14	H	118.5°	120.1°
C	C1	C2	H4	59.6°	61.3°
C	C1	C2	H3	59.8°	58.6°
C	C1	C14	H20	57.6°	65.6°
C	C1	C14	H19	62.5°	55.0°
C1	C	N	H1	179.5°	0.0°
C1	C	N	H2	0.5°	180.0°
C1	C2	C3	H4	120.3°	120.0°
C1	C2	C3	H3	120.3°	120.1°
C1	C2	C3	C4	52.2°	61.3°
C2	C1	C14	N1	57.3°	54.8°
C2	C1	C14	H	116.4°	120.0°
C1	C2	C3	H6	68.0°	178.7°
C1	C2	C3	H5	172.4°	58.6°
C1	C2	H4	H3	119.1°	120.0°
C2	C1	C14	H20	177.2°	174.5°
C2	C1	C14	H19	62.7°	65.0°
C2	C3	C4	H6	120.2°	120.0°
C2	C3	C4	H5	120.2°	120.0°
C2	C3	C4	N1	53.5°	54.6°
C3	C2	C1	C14	54.1°	61.4°
C2	C3	C4	H8	173.6°	65.2°
C2	C3	C4	H7	66.6°	174.5°
C2	C3	H6	H5	119.4°	120.1°
C3	C2	H4	H3	119.0°	120.0°
C3	C2	C1	H	62.4°	58.6°
C3	C4	N1	H8	120.2°	119.8°
C3	C4	N1	H7	120.1°	119.9°
C3	C4	N1	C5	116.6°	126.4°
C3	C4	N1	C14	59.5°	53.9°
C3	C4	H8	H7	119.6°	120.4°
C4	C3	H6	H5	119.3°	120.1°
C4	C3	C2	H4	172.5°	58.7°
C4	C3	C2	H3	68.1°	178.6°
C4	N1	C5	C14	175.8°	179.7°
C4	N1	C5	O1	173.5°	180.0°
C4	N1	C5	C6	6.3°	0.0°
C4	N1	C14	C1	61.4°	53.9°
N1	C4	H8	H7	119.5°	120.3°
N1	C4	C3	H6	66.7°	174.6°
N1	C4	C3	H5	173.7°	65.3°
C4	N1	C14	H20	178.7°	173.6°
C4	N1	C14	H19	58.6°	66.0°
N1	C5	O1	C6	179.8°	180.0°
N1	C5	C6	C7	135.9°	180.0°
C5	N1	C14	C1	114.9°	126.4°
C5	N1	C4	H8	3.6°	113.8°
C5	N1	C4	H7	123.3°	6.5°
N1	C5	C6	H10	103.6°	60.0°
N1	C5	C6	H9	15.4°	60.0°
C5	N1	C14	H20	5.1°	6.7°
C5	N1	C14	H19	125.2°	113.7°
O1	C5	C6	C7	44.0°	0.0°
O1	C5	N1	C14	10.7°	0.3°
O1	C5	C6	H10	76.6°	120.0°
O1	C5	C6	H9	164.5°	119.9°
C5	C6	C7	H10	120.5°	120.0°
C5	C6	C7	H9	120.5°	120.0°
C5	C6	C7	C8	119.6°	95.0°
C5	C6	C7	C12	63.3°	84.7°
C6	C5	N1	C14	169.5°	179.7°
C5	C6	H10	H9	118.4°	120.1°
C6	C7	C8	C12	177.1°	179.7°
C6	C7	C8	C9	176.2°	180.0°
C6	C7	C12	C11	177.1°	180.0°
C6	C7	C12	C13	0.2°	0.0°
C7	C6	H10	H9	118.4°	119.9°
C6	C7	C8	H11	3.8°	0.1°
C7	C8	C9	H11	180.0°	179.9°
C7	C8	C9	C10	1.3°	0.0°
C8	C7	C12	C11	0.1°	0.3°
C8	C7	C12	C13	177.3°	179.7°
C8	C7	C6	H10	0.9°	145.0°
C8	C7	C6	H9	119.9°	25.1°
C7	C8	C9	H12	178.7°	180.0°
C8	C9	C10	H12	180.0°	180.0°
C8	C9	C10	C11	0.4°	0.3°
C9	C8	C7	C12	1.0°	0.3°
C8	C9	C10	H13	179.6°	179.9°
C9	C10	C11	H13	180.0°	179.7°
C9	C10	C11	C12	0.7°	0.3°
C10	C9	C8	H11	178.7°	179.9°
C9	C10	C11	H14	179.4°	180.0°
C10	C11	C12	H14	180.0°	179.7°
C10	C11	C12	C7	0.9°	0.0°
C10	C11	C12	C13	176.6°	180.0°
C11	C10	C9	H12	179.6°	179.7°
C11	C12	C7	C13	177.4°	180.0°
C11	C12	C13	S	81.8°	90.0°
C12	C11	C10	H13	179.3°	180.0°
C11	C12	C13	H16	157.7°	150.0°
C11	C12	C13	H15	38.6°	30.0°
C7	C12	C13	S	95.6°	90.0°
C12	C7	C6	H10	176.2°	35.3°
C12	C7	C6	H9	57.2°	155.3°
C12	C7	C8	H11	179.0°	179.7°
C7	C12	C13	H16	24.9°	30.0°
C7	C12	C13	H15	144.0°	150.0°
C7	C12	C11	H14	179.1°	179.7°
C12	C13	S	H16	120.5°	119.9°
C12	C13	S	H15	120.5°	120.0°
C12	C13	S	N2	170.7°	180.0°
C12	C13	S	O2	56.6°	68.4°
C12	C13	S	O3	74.6°	68.4°
C12	C13	H16	H15	118.6°	120.0°
C13	C12	C11	H14	3.4°	0.3°
C13	S	N2	O2	113.9°	116.0°
C13	S	N2	O3	114.5°	116.1°
C13	S	O2	O3	124.3°	131.6°
S	C13	H16	H15	118.6°	120.1°
C13	S	N2	H18	180.0°	150.0°
C13	S	N2	H17	60.0°	30.0°
N2	S	O2	O3	125.0°	116.7°
N2	S	C13	H16	68.9°	60.1°
N2	S	C13	H15	50.2°	60.0°
S	N2	H18	H17	120.0°	180.0°
O2	S	C13	H16	177.1°	171.6°
O2	S	C13	H15	63.8°	51.6°
O2	S	N2	H18	66.1°	94.0°
O2	S	N2	H17	173.9°	86.1°
O3	S	C13	H16	45.8°	51.5°
O3	S	C13	H15	164.9°	171.6°
O3	S	N2	H18	65.5°	33.9°
O3	S	N2	H17	54.5°	146.0°
N1	C14	C1	H20	119.9°	119.7°
N1	C14	C1	H19	120.0°	119.8°
C14	N1	C4	H8	179.7°	65.9°
C14	N1	C4	H7	60.6°	173.8°
N1	C14	H20	H19	120.1°	120.3°
N1	C14	C1	H	59.1°	65.2°
C14	C1	C2	H4	174.4°	58.6°
C14	C1	C2	H3	66.2°	178.5°
C1	C14	H20	H19	120.1°	120.7°
H8	C4	C3	H6	53.4°	54.8°
H8	C4	C3	H5	66.1°	174.8°
H7	C4	C3	H6	173.1°	65.6°
H7	C4	C3	H5	53.6°	54.5°
H11	C8	C9	H12	1.2°	0.1°
H13	C10	C11	H14	0.7°	0.4°
H13	C10	C9	H12	0.4°	0.0°
H6	C3	C2	H4	52.3°	61.3°
H6	C3	C2	H3	171.7°	58.6°
H5	C3	C2	H4	67.3°	178.6°
H5	C3	C2	H3	52.1°	61.4°
H4	C2	C1	H	57.9°	178.6°
H3	C2	C1	H	177.3°	61.5°
H20	C14	C1	H	60.9°	54.5°
H19	C14	C1	H	179.1°	175.1°

Release date:	2025-02-26
Definition date:	2025-01-13
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HYP