A1I1P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N12	C8	sing	1.38Å	1.35Å
S9	C8	sing	1.70Å	1.72Å	Aromatic
S9	C2	sing	1.76Å	1.73Å	Aromatic
N28	C29	sing	1.47Å	1.49Å
N28	C27	sing	1.47Å	1.49Å
C8	C7	doub	1.37Å	1.39Å	Aromatic
C29	C30	sing	1.53Å	1.51Å
C27	C26	sing	1.53Å	1.51Å
C30	N25	sing	1.47Å	1.47Å
C26	N25	sing	1.47Å	1.47Å
C7	C13	sing	1.43Å	1.43Å
C7	C1	sing	1.45Å	1.44Å	Aromatic
N16	O15	sing	1.21Å	1.44Å	Aromatic
N16	C17	doub	1.31Å	1.31Å	Aromatic
C2	C3	sing	1.52Å	1.50Å
C2	C1	doub	1.34Å	1.35Å	Aromatic
O15	C11	sing	1.34Å	1.33Å	Aromatic
C13	N14	trip	1.14Å	1.14Å
C3	C4	sing	1.53Å	1.53Å
N25	C23	sing	1.40Å	1.42Å
C1	C6	sing	1.52Å	1.52Å
C24	C23	doub	1.39Å	1.40Å	Aromatic
C24	C19	sing	1.39Å	1.39Å	Aromatic
C17	C19	sing	1.48Å	1.48Å
C17	N18	sing	1.35Å	1.37Å	Aromatic
C23	C22	sing	1.39Å	1.40Å	Aromatic
C11	C6	sing	1.51Å	1.50Å
C11	N18	doub	1.31Å	1.28Å	Aromatic
C19	C20	doub	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.53Å	1.55Å
C6	C10	sing	1.53Å	1.54Å
C4	C5	sing	1.53Å	1.51Å
C22	C21	doub	1.38Å	1.38Å	Aromatic
C20	C21	sing	1.38Å	1.38Å	Aromatic
C4	H4A	sing	1.09Å	1.10Å
C4	H4B	sing	1.09Å	1.10Å
C5	H5B	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C10	H10B	sing	1.09Å	1.10Å
C10	H10C	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
N12	H12B	sing	0.97Å	1.00Å
N12	H12A	sing	0.97Å	1.00Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C26	H26B	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å
C27	H27B	sing	1.09Å	1.10Å
C27	H27A	sing	1.09Å	1.10Å
C29	H29A	sing	1.09Å	1.10Å
C29	H29B	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C3	H3B	sing	1.09Å	1.10Å
C30	H30B	sing	1.09Å	1.10Å
C30	H30A	sing	1.09Å	1.10Å
N28	H28B	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N12	C8	S9	120.9°	124.6°
N12	C8	C7	128.2°	124.7°
C8	N12	H12B	109.5°	120.0°
C8	N12	H12A	109.5°	120.0°
C8	S9	C2	91.9°	92.8°
S9	C8	C7	110.9°	110.7°
S9	C2	C3	121.4°	124.9°
S9	C2	C1	112.6°	110.8°
C29	N28	C27	111.7°	110.9°
N28	C29	C30	110.1°	109.4°
N28	C29	H29A	109.3°	109.6°
N28	C29	H29B	109.3°	109.5°
C29	N28	H28B	108.9°	111.0°
N28	C27	C26	110.2°	109.3°
N28	C27	H27B	109.3°	109.5°
N28	C27	H27A	109.3°	109.5°
C27	N28	H28B	108.9°	110.9°
C8	C7	C13	120.4°	123.3°
C8	C7	C1	112.8°	113.4°
C29	C30	N25	110.4°	109.3°
C30	C29	H29A	109.3°	109.5°
C30	C29	H29B	109.3°	109.4°
C29	C30	H30B	109.2°	109.5°
C29	C30	H30A	109.2°	109.5°
C27	C26	N25	111.0°	109.4°
C27	C26	H26B	109.1°	109.5°
C27	C26	H26A	109.1°	109.5°
C26	C27	H27B	109.3°	109.5°
C26	C27	H27A	109.3°	109.5°
C30	N25	C26	112.1°	110.9°
C30	N25	C23	115.7°	111.0°
N25	C30	H30B	109.2°	109.5°
N25	C30	H30A	109.2°	109.5°
C26	N25	C23	118.5°	111.0°
N25	C26	H26B	109.1°	109.5°
N25	C26	H26A	109.1°	109.6°
C13	C7	C1	126.6°	123.3°
C7	C13	N14	176.8°	179.9°
C7	C1	C2	111.8°	112.4°
C7	C1	C6	127.1°	124.1°
O15	N16	C17	102.8°	110.1°
N16	O15	C11	104.8°	110.0°
N16	C17	C19	123.8°	126.4°
N16	C17	N18	114.8°	107.2°
C3	C2	C1	125.9°	124.3°
C2	C3	C4	109.6°	108.8°
C2	C3	H3A	109.4°	109.6°
C2	C3	H3B	109.4°	109.6°
C2	C1	C6	121.1°	123.5°
O15	C11	C6	119.2°	126.4°
O15	C11	N18	114.9°	107.2°
C3	C4	C5	109.7°	109.0°
C3	C4	H4A	109.4°	109.5°
C3	C4	H4B	109.4°	109.6°
C4	C3	H3A	109.4°	109.6°
C4	C3	H3B	109.4°	109.6°
N25	C23	C24	120.7°	120.0°
N25	C23	C22	120.1°	120.0°
C1	C6	C11	109.7°	109.7°
C1	C6	C5	112.0°	108.7°
C1	C6	C10	104.7°	109.6°
C23	C24	C19	120.5°	119.8°
C24	C23	C22	119.1°	120.0°
C23	C24	H24	119.7°	120.1°
C24	C19	C17	120.4°	120.1°
C24	C19	C20	119.4°	119.9°
C19	C24	H24	119.8°	120.1°
C19	C17	N18	121.4°	126.4°
C17	C19	C20	119.8°	120.0°
C17	N18	C11	102.7°	105.5°
C23	C22	C21	120.3°	120.2°
C23	C22	H22	119.9°	119.9°
C6	C11	N18	125.8°	126.4°
C11	C6	C5	108.3°	109.6°
C11	C6	C10	111.7°	109.6°
C19	C20	C21	120.4°	120.0°
C19	C20	H20	119.8°	120.0°
C5	C6	C10	110.6°	109.6°
C6	C5	C4	113.7°	109.2°
C6	C5	H5B	108.4°	109.5°
C6	C5	H5A	108.4°	109.5°
C6	C10	H10B	109.5°	109.5°
C6	C10	H10C	109.4°	109.4°
C6	C10	H10A	109.5°	109.5°
C5	C4	H4A	109.4°	109.5°
C5	C4	H4B	109.4°	109.5°
C4	C5	H5B	108.4°	109.5°
C4	C5	H5A	108.4°	109.5°
C22	C21	C20	120.3°	120.2°
C22	C21	H21	119.9°	120.0°
C21	C22	H22	119.8°	119.9°
C21	C20	H20	119.8°	120.0°
C20	C21	H21	119.8°	119.9°
H4A	C4	H4B	109.5°	109.6°
H5B	C5	H5A	109.5°	109.5°
H10B	C10	H10C	109.5°	109.5°
H10B	C10	H10A	109.5°	109.5°
H10C	C10	H10A	109.5°	109.5°
H12B	N12	H12A	109.4°	120.0°
H26B	C26	H26A	109.5°	109.4°
H27B	C27	H27A	109.5°	109.4°
H29A	C29	H29B	109.5°	109.5°
H3A	C3	H3B	109.5°	109.7°
H30B	C30	H30A	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N12	C8	S9	C7	179.5°	180.0°
N12	C8	S9	C2	179.1°	179.9°
N12	C8	C7	C13	6.2°	0.0°
N12	C8	C7	C1	179.2°	179.9°
C8	N12	H12B	H12A	120.0°	180.0°
S9	C8	C7	C13	174.4°	180.0°
S9	C8	C7	C1	0.2°	0.1°
C8	S9	C2	C3	178.9°	180.0°
C8	S9	C2	C1	0.5°	0.0°
S9	C8	N12	H12B	0.0°	180.0°
S9	C8	N12	H12A	120.0°	0.1°
C2	S9	C8	C7	0.4°	0.1°
S9	C2	C1	C7	0.4°	0.0°
S9	C2	C3	C1	179.3°	180.0°
S9	C2	C3	C4	158.5°	163.3°
S9	C2	C1	C6	178.0°	179.9°
S9	C2	C3	H3A	81.5°	43.5°
S9	C2	C3	H3B	38.5°	76.9°
C29	N28	C27	H28B	120.3°	123.8°
N28	C29	C30	H29A	120.1°	120.0°
N28	C29	C30	H29B	120.1°	120.0°
C29	N28	C27	C26	55.6°	59.3°
N28	C29	C30	N25	56.4°	58.4°
C29	N28	C27	H27B	64.6°	179.3°
C29	N28	C27	H27A	175.7°	60.6°
N28	C29	H29A	H29B	119.7°	120.1°
N28	C29	C30	H30B	63.8°	61.5°
N28	C29	C30	H30A	176.5°	178.4°
C27	N28	C29	C30	56.4°	59.4°
N28	C27	C26	H27B	120.1°	120.0°
N28	C27	C26	H27A	120.1°	120.0°
N28	C27	C26	N25	54.9°	58.4°
N28	C27	C26	H26B	175.1°	178.4°
N28	C27	C26	H26A	65.4°	61.6°
N28	C27	H27B	H27A	119.7°	120.1°
C27	N28	C29	H29A	176.5°	60.6°
C27	N28	C29	H29B	63.7°	179.3°
C8	C7	C13	C1	173.9°	179.9°
C8	C7	C1	C2	0.1°	0.1°
C8	C7	C13	N14	27.1°	136.1°
C8	C7	C1	C6	178.1°	179.9°
C7	C8	N12	H12B	179.4°	0.0°
C7	C8	N12	H12A	60.7°	180.0°
C29	C30	N25	H30B	120.2°	120.0°
C29	C30	N25	H30A	120.2°	120.0°
C29	C30	N25	C26	57.3°	59.3°
C29	C30	N25	C23	162.7°	176.8°
C30	C29	H29A	H29B	119.7°	119.9°
C29	C30	H30B	H30A	119.6°	120.1°
C30	C29	N28	H28B	176.8°	176.9°
C27	C26	N25	C30	56.7°	59.4°
C27	C26	N25	H26B	120.2°	119.9°
C27	C26	N25	H26A	120.2°	120.1°
C27	C26	N25	C23	164.5°	176.8°
C27	C26	H26B	H26A	119.3°	120.0°
C26	C27	H27B	H27A	119.7°	120.1°
C26	C27	N28	H28B	175.9°	176.8°
C30	N25	C26	C23	138.8°	123.8°
C30	N25	C23	C24	110.5°	56.2°
C30	N25	C23	C22	66.0°	124.7°
C30	N25	C26	H26B	176.9°	179.3°
C30	N25	C26	H26A	63.5°	60.7°
N25	C30	C29	H29A	176.5°	61.6°
N25	C30	C29	H29B	63.7°	178.4°
N25	C30	H30B	H30A	119.5°	120.0°
C26	N25	C23	C24	27.0°	180.0°
C26	N25	C23	C22	156.5°	0.9°
N25	C26	H26B	H26A	119.3°	120.1°
N25	C26	C27	H27B	65.2°	178.4°
N25	C26	C27	H27A	175.0°	61.6°
C26	N25	C30	H30B	62.9°	60.6°
C26	N25	C30	H30A	177.4°	179.3°
C13	C7	C1	C2	174.4°	180.0°
C13	C7	C1	C6	3.9°	0.0°
C7	C1	C2	C3	178.9°	180.0°
C7	C1	C2	C6	178.4°	179.9°
C1	C7	C13	N14	146.8°	44.0°
C7	C1	C6	C11	52.9°	43.1°
C7	C1	C6	C5	173.1°	162.9°
C7	C1	C6	C10	67.0°	77.3°
O15	N16	C17	C19	177.7°	179.9°
O15	N16	C17	N18	0.0°	0.2°
N16	O15	C11	C6	177.5°	179.9°
N16	O15	C11	N18	0.2°	0.0°
C17	N16	O15	C11	0.1°	0.1°
N16	C17	C19	C24	14.3°	0.2°
N16	C17	C19	N18	177.6°	179.8°
N16	C17	N18	C11	0.1°	0.2°
N16	C17	C19	C20	173.2°	179.7°
C2	C3	C4	H3A	120.0°	119.8°
C2	C3	C4	H3B	120.0°	119.8°
C3	C2	C1	C6	2.7°	0.1°
C2	C3	C4	C5	50.7°	50.0°
C2	C3	C4	H4A	170.8°	69.8°
C2	C3	C4	H4B	69.3°	169.9°
C2	C3	H3A	H3B	119.9°	120.4°
C1	C2	C3	C4	20.8°	16.7°
C2	C1	C6	C11	125.2°	137.0°
C2	C1	C6	C5	5.0°	17.1°
C2	C1	C6	C10	114.9°	102.6°
C1	C2	C3	H3A	99.2°	136.5°
C1	C2	C3	H3B	140.8°	103.1°
O15	C11	C6	C1	62.8°	119.2°
O15	C11	N18	C17	0.1°	0.1°
O15	C11	C6	N18	177.4°	179.9°
O15	C11	C6	C5	59.6°	0.1°
O15	C11	C6	C10	178.4°	120.4°
C3	C4	C5	C6	61.5°	70.3°
C3	C4	C5	H4A	120.0°	119.8°
C3	C4	C5	H4B	120.0°	119.9°
C3	C4	H4A	H4B	119.9°	120.3°
C3	C4	C5	H5B	177.9°	49.6°
C3	C4	C5	H5A	59.1°	169.7°
C4	C3	H3A	H3B	119.9°	120.4°
N25	C23	C24	C22	176.5°	179.1°
N25	C23	C24	C19	176.6°	180.0°
N25	C23	C22	C21	176.4°	179.7°
N25	C23	C22	H22	3.6°	0.3°
N25	C23	C24	H24	3.4°	0.9°
C23	N25	C26	H26B	44.2°	56.9°
C23	N25	C26	H26A	75.3°	63.1°
C23	N25	C30	H30B	77.1°	63.2°
C23	N25	C30	H30A	42.5°	56.8°
C1	C6	C11	C5	122.4°	119.3°
C1	C6	C11	C10	115.5°	120.4°
C1	C6	C11	N18	114.6°	60.7°
C1	C6	C5	C10	116.3°	119.8°
C1	C6	C5	C4	37.1°	50.6°
C1	C6	C5	H5B	157.7°	69.3°
C1	C6	C5	H5A	83.6°	170.6°
C1	C6	C10	H10B	180.0°	59.3°
C1	C6	C10	H10C	60.0°	60.7°
C1	C6	C10	H10A	60.0°	179.3°
C23	C24	C19	H24	180.0°	179.1°
C23	C24	C19	C17	172.0°	179.5°
C23	C24	C19	C20	0.6°	0.6°
C24	C23	C22	C21	0.1°	0.6°
C24	C23	C22	H22	179.9°	179.4°
C24	C19	C17	C20	172.5°	179.9°
C24	C19	C17	N18	163.3°	180.0°
C19	C24	C23	C22	0.1°	0.9°
C24	C19	C20	C21	0.8°	0.1°
C24	C19	C20	H20	179.2°	179.7°
C19	C17	N18	C11	177.9°	180.0°
C17	C19	C20	C21	171.8°	180.0°
C17	C19	C20	H20	8.2°	0.2°
C17	C19	C24	H24	8.0°	0.3°
C17	N18	C11	C6	177.4°	180.0°
N18	C17	C19	C20	9.2°	0.1°
C23	C22	C21	H22	180.0°	180.0°
C23	C22	C21	C20	0.1°	0.0°
C23	C22	C21	H21	179.9°	180.0°
C22	C23	C24	H24	179.9°	180.0°
C11	C6	C5	C10	122.7°	120.3°
C11	C6	C5	C4	158.1°	170.5°
C11	C6	C5	H5B	81.3°	50.6°
C11	C6	C5	H5A	37.5°	69.5°
C11	C6	C10	H10B	61.4°	179.7°
C11	C6	C10	H10C	178.6°	59.8°
C11	C6	C10	H10A	58.6°	60.3°
N18	C11	C6	C5	122.9°	180.0°
N18	C11	C6	C10	0.9°	59.7°
C19	C20	C21	C22	0.5°	0.3°
C19	C20	C21	H20	180.0°	179.8°
C19	C20	C21	H21	179.5°	179.7°
C20	C19	C24	H24	179.4°	179.8°
C6	C5	C4	H5B	120.6°	120.0°
C6	C5	C4	H5A	120.6°	120.0°
C6	C5	C4	H4A	178.5°	49.5°
C6	C5	C4	H4B	58.5°	169.7°
C6	C5	H5B	H5A	118.1°	120.1°
C5	C6	C10	H10B	59.2°	60.0°
C5	C6	C10	H10C	60.8°	179.9°
C5	C6	C10	H10A	179.2°	60.1°
C10	C6	C5	C4	79.2°	69.2°
C10	C6	C5	H5B	41.4°	170.9°
C10	C6	C5	H5A	160.1°	50.8°
C6	C10	H10B	H10C	120.0°	119.9°
C6	C10	H10B	H10A	120.0°	120.0°
C6	C10	H10C	H10A	120.0°	120.0°
C5	C4	H4A	H4B	119.9°	120.2°
C4	C5	H5B	H5A	118.1°	120.1°
C5	C4	C3	H3A	69.3°	169.8°
C5	C4	C3	H3B	170.7°	69.8°
C22	C21	C20	H21	180.0°	180.0°
C22	C21	C20	H20	179.5°	180.0°
C20	C21	C22	H22	179.9°	180.0°
H4A	C4	C5	H5B	57.9°	169.4°
H4A	C4	C5	H5A	60.9°	70.5°
H4A	C4	C3	H3A	50.7°	50.0°
H4A	C4	C3	H3B	69.3°	170.4°
H4B	C4	C5	H5B	62.1°	70.3°
H4B	C4	C5	H5A	179.2°	49.8°
H4B	C4	C3	H3A	170.7°	70.3°
H4B	C4	C3	H3B	50.7°	50.1°
H10B	C10	H10C	H10A	120.0°	120.0°
H20	C20	C21	H21	0.5°	0.1°
H21	C21	C22	H22	0.1°	0.0°
H26B	C26	C27	H27B	55.0°	61.7°
H26B	C26	C27	H27A	64.8°	58.4°
H26A	C26	C27	H27B	174.6°	58.3°
H26A	C26	C27	H27A	54.8°	178.4°
H27B	C27	N28	H28B	55.8°	56.8°
H27A	C27	N28	H28B	64.0°	63.2°
H29A	C29	C30	H30B	56.3°	178.4°
H29A	C29	C30	H30A	63.4°	58.3°
H29A	C29	N28	H28B	63.1°	63.2°
H29B	C29	C30	H30B	176.2°	58.4°
H29B	C29	C30	H30A	56.5°	61.7°
H29B	C29	N28	H28B	56.7°	56.9°

Release date:	2025-08-06
Definition date:	2025-02-11
Last modified:	2025-08-01
Release status:	REL
Processing site:	PDBE
Derived from:	9IAP