A1IGF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	N1	sing	1.34Å	1.37Å	Aromatic
C7	C8	doub	1.35Å	1.36Å	Aromatic
N1	C6	doub	1.31Å	1.33Å	Aromatic
C8	N2	sing	1.37Å	1.38Å	Aromatic
C6	N2	sing	1.37Å	1.37Å	Aromatic
C6	C5	sing	1.48Å	1.47Å
N2	C9	sing	1.40Å	1.43Å
C4	C5	doub	1.40Å	1.38Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C5	C16	sing	1.40Å	1.38Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C15	C9	doub	1.39Å	1.38Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C9	C10	sing	1.39Å	1.39Å	Aromatic
C16	C17	doub	1.38Å	1.38Å	Aromatic
C2	C17	sing	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.51Å	1.49Å
C14	BR1	sing	1.89Å	1.93Å
C14	C12	doub	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.37Å	Aromatic
C12	C11	sing	1.38Å	1.40Å	Aromatic
C12	C13	sing	1.51Å	1.47Å
C3	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.08Å	1.08Å
C8	H12	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å
C17	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C7	C8	109.6°	108.4°
C7	N1	C6	107.2°	109.3°
N1	C7	H11	125.2°	125.7°
C7	C8	N2	106.2°	107.0°
C8	C7	H11	125.2°	125.8°
C7	C8	H12	126.9°	126.5°
N1	C6	N2	109.1°	108.3°
N1	C6	C5	121.7°	125.9°
C8	N2	C6	107.8°	106.9°
C8	N2	C9	124.0°	126.5°
N2	C8	H12	126.9°	126.5°
N2	C6	C5	128.9°	125.8°
C6	N2	C9	128.2°	126.6°
C6	C5	C4	119.0°	120.1°
C6	C5	C16	122.8°	120.2°
N2	C9	C15	120.2°	120.1°
N2	C9	C10	118.4°	120.0°
C5	C4	C3	120.7°	119.9°
C4	C5	C16	118.1°	119.7°
C5	C4	H2	119.6°	120.1°
C4	C3	C2	121.6°	120.1°
C4	C3	H1	119.2°	120.0°
C3	C4	H2	119.6°	120.1°
C5	C16	C17	120.9°	119.9°
C5	C16	H14	119.5°	120.1°
C3	C2	C17	117.3°	120.3°
C3	C2	C1	121.4°	119.8°
C2	C3	H1	119.2°	119.9°
C9	C15	C14	119.8°	119.9°
C15	C9	C10	121.3°	119.9°
C9	C15	H13	120.1°	120.0°
C15	C14	BR1	121.7°	120.0°
C15	C14	C12	120.1°	120.0°
C14	C15	H13	120.1°	120.0°
C9	C10	C11	118.4°	119.9°
C9	C10	H3	120.8°	120.1°
C16	C17	C2	121.2°	120.1°
C17	C16	H14	119.6°	120.0°
C16	C17	H15	119.4°	120.0°
C17	C2	C1	121.2°	119.8°
C2	C17	H15	119.4°	119.9°
C2	C1	H8	109.5°	109.5°
C2	C1	H9	109.5°	109.5°
C2	C1	H10	109.5°	109.5°
BR1	C14	C12	118.2°	120.0°
C14	C12	C11	119.2°	120.2°
C14	C12	C13	120.4°	119.9°
C10	C11	C12	121.1°	120.0°
C11	C10	H3	120.8°	120.0°
C10	C11	H4	119.5°	120.0°
C11	C12	C13	120.3°	119.9°
C12	C11	H4	119.5°	120.0°
C12	C13	H5	109.5°	109.5°
C12	C13	H6	109.5°	109.4°
C12	C13	H7	109.5°	109.5°
H5	C13	H6	109.5°	109.5°
H5	C13	H7	109.4°	109.5°
H6	C13	H7	109.5°	109.5°
H8	C1	H9	109.5°	109.4°
H8	C1	H10	109.5°	109.5°
H9	C1	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C7	C8	H11	180.0°	180.0°
N1	C7	C8	N2	1.3°	0.1°
C7	N1	C6	N2	3.1°	0.0°
C7	N1	C6	C5	177.5°	179.7°
N1	C7	C8	H12	178.8°	179.9°
C8	C7	N1	C6	2.7°	0.0°
C7	C8	N2	H12	180.0°	179.9°
C7	C8	N2	C6	0.6°	0.1°
C7	C8	N2	C9	177.4°	179.8°
N1	C6	N2	C8	2.3°	0.0°
N1	C6	N2	C5	173.9°	179.7°
N1	C6	N2	C9	178.9°	179.8°
N1	C6	C5	C4	32.1°	24.8°
N1	C6	C5	C16	145.4°	155.2°
C6	N1	C7	H11	177.3°	180.0°
C8	N2	C6	C9	176.6°	179.7°
C8	N2	C6	C5	176.2°	179.7°
C8	N2	C9	C15	67.7°	123.8°
C8	N2	C9	C10	110.8°	56.6°
N2	C8	C7	H11	178.7°	179.9°
N2	C6	C5	C4	154.7°	154.9°
N2	C6	C5	C16	27.8°	25.1°
C6	N2	C9	C15	116.2°	55.9°
C6	N2	C9	C10	65.2°	123.8°
C6	N2	C8	H12	179.4°	179.9°
C5	C6	N2	C9	7.2°	0.0°
C6	C5	C4	C16	177.6°	180.0°
C6	C5	C4	C3	178.4°	180.0°
C6	C5	C16	C17	179.9°	180.0°
C6	C5	C4	H2	1.6°	0.1°
C6	C5	C16	H14	0.1°	0.0°
N2	C9	C15	C10	178.5°	179.7°
N2	C9	C15	C14	179.8°	179.7°
N2	C9	C10	C11	178.8°	180.0°
N2	C9	C10	H3	1.1°	0.0°
C9	N2	C8	H12	2.6°	0.3°
N2	C9	C15	H13	0.2°	0.3°
C5	C4	C3	H2	180.0°	180.0°
C5	C4	C3	C2	0.3°	0.0°
C4	C5	C16	C17	2.6°	0.0°
C5	C4	C3	H1	179.7°	179.9°
C4	C5	C16	H14	177.4°	180.0°
C3	C4	C5	C16	0.8°	0.0°
C4	C3	C2	H1	180.0°	179.9°
C4	C3	C2	C17	1.6°	0.1°
C4	C3	C2	C1	177.6°	179.7°
C5	C16	C17	H14	180.0°	180.0°
C5	C16	C17	C2	4.1°	0.0°
C16	C5	C4	H2	179.2°	180.0°
C5	C16	C17	H15	176.0°	179.8°
C3	C2	C17	C16	3.5°	0.0°
C3	C2	C17	C1	175.9°	179.8°
C2	C3	C4	H2	179.7°	179.9°
C3	C2	C1	H8	92.1°	90.2°
C3	C2	C1	H9	147.9°	29.7°
C3	C2	C1	H10	27.9°	149.8°
C3	C2	C17	H15	176.6°	179.8°
C9	C15	C14	H13	180.0°	179.4°
C9	C15	C14	BR1	176.2°	179.7°
C9	C15	C14	C12	2.7°	0.7°
C15	C9	C10	C11	0.3°	0.3°
C15	C9	C10	H3	179.6°	179.6°
C14	C15	C9	C10	1.3°	0.6°
C15	C14	BR1	C12	178.9°	179.6°
C15	C14	C12	C11	3.1°	0.4°
C15	C14	C12	C13	179.7°	179.7°
C9	C10	C11	H3	180.0°	180.0°
C9	C10	C11	C12	0.8°	0.0°
C9	C10	C11	H4	179.2°	180.0°
C10	C9	C15	H13	178.7°	180.0°
C16	C17	C2	H15	180.0°	179.7°
C16	C17	C2	C1	179.4°	179.7°
C17	C2	C3	H1	178.4°	180.0°
C17	C2	C1	H8	92.1°	90.0°
C17	C2	C1	H9	27.9°	150.0°
C17	C2	C1	H10	147.9°	30.0°
C2	C17	C16	H14	175.9°	179.9°
C1	C2	C3	H1	2.4°	0.2°
C2	C1	H8	H9	120.0°	120.0°
C2	C1	H8	H10	120.0°	120.0°
C2	C1	H9	H10	120.0°	120.0°
C1	C2	C17	H15	0.6°	0.0°
BR1	C14	C12	C11	175.8°	180.0°
BR1	C14	C12	C13	1.4°	0.1°
BR1	C14	C15	H13	3.8°	0.3°
C14	C12	C11	C10	2.2°	0.1°
C14	C12	C11	C13	177.2°	179.9°
C14	C12	C11	H4	177.9°	180.0°
C14	C12	C13	H5	91.4°	89.9°
C14	C12	C13	H6	148.6°	30.1°
C14	C12	C13	H7	28.6°	150.0°
C12	C14	C15	H13	177.3°	180.0°
C10	C11	C12	H4	180.0°	180.0°
C10	C11	C12	C13	179.3°	179.9°
C12	C11	C10	H3	179.2°	179.9°
C11	C12	C13	H5	91.4°	89.9°
C11	C12	C13	H6	28.6°	150.1°
C11	C12	C13	H7	148.6°	30.1°
C13	C12	C11	H4	0.7°	0.1°
C12	C13	H5	H6	120.0°	120.0°
C12	C13	H5	H7	120.0°	120.0°
C12	C13	H6	H7	120.0°	120.0°
H1	C3	C4	H2	0.3°	0.0°
H3	C10	C11	H4	0.8°	0.0°
H5	C13	H6	H7	120.0°	120.0°
H8	C1	H9	H10	120.0°	120.0°
H11	C7	C8	H12	1.3°	0.1°
H14	C16	C17	H15	4.0°	0.2°

Release date:	2025-07-09
Definition date:	2024-06-28
Last modified:	2025-07-04
Release status:	REL
Processing site:	PDBE
Derived from:	9FVP