FIY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	C08	sing	1.51Å	1.53Å
C08	O10	doub	1.21Å	1.17Å
C08	C07	sing	1.47Å	1.55Å
C02	C01	sing	1.53Å	1.53Å
C02	C03	sing	1.51Å	1.55Å
C07	C03	sing	1.47Å	1.39Å	Aromatic
C07	C06	doub	1.38Å	1.40Å	Aromatic
C03	C04	doub	1.36Å	1.39Å	Aromatic
C06	C11	sing	1.51Å	1.54Å
C06	N05	sing	1.35Å	1.34Å	Aromatic
C04	C12	sing	1.48Å	1.55Å
C04	N05	sing	1.37Å	1.35Å	Aromatic
N16	C12	sing	1.33Å	1.47Å	Aromatic
N16	C15	doub	1.30Å	1.40Å	Aromatic
C12	C13	doub	1.35Å	1.44Å	Aromatic
N17	C15	sing	1.36Å	1.48Å
N17	C18	doub	1.32Å	1.27Å
C15	S14	sing	1.76Å	1.66Å	Aromatic
C13	S14	sing	1.76Å	1.62Å	Aromatic
N20	C18	sing	1.37Å	1.44Å
C18	N19	sing	1.37Å	1.45Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C09	H6	sing	1.09Å	1.10Å
C09	H7	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.08Å	1.08Å
N05	H13	sing	0.97Å	1.00Å
N19	H15	sing	0.97Å	1.00Å
N19	H16	sing	0.97Å	1.00Å
N20	H17	sing	0.97Å	1.00Å
N20	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C09	C08	O10	117.6°	120.0°
C09	C08	C07	122.7°	120.0°
C08	C09	H6	109.5°	109.5°
C08	C09	H7	109.5°	109.5°
C08	C09	H8	109.4°	109.5°
O10	C08	C07	119.6°	120.0°
C08	C07	C03	128.1°	127.0°
C08	C07	C06	125.0°	126.9°
C01	C02	C03	112.8°	109.5°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.5°	109.4°
C02	C01	H3	109.4°	109.5°
C01	C02	H4	108.6°	109.5°
C01	C02	H5	108.7°	109.4°
C02	C03	C07	129.0°	126.9°
C02	C03	C04	124.4°	126.8°
C03	C02	H4	108.7°	109.5°
C03	C02	H5	108.6°	109.5°
C03	C07	C06	106.9°	106.1°
C07	C03	C04	106.5°	106.3°
C07	C06	C11	129.2°	125.8°
C07	C06	N05	107.9°	108.4°
C03	C04	C12	126.7°	125.6°
C03	C04	N05	108.7°	108.8°
C11	C06	N05	122.9°	125.8°
C06	C11	H9	109.5°	109.5°
C06	C11	H10	109.5°	109.5°
C06	C11	H11	109.5°	109.5°
C06	N05	C04	109.9°	110.4°
C06	N05	H13	125.0°	124.8°
C12	C04	N05	124.6°	125.6°
C04	C12	N16	122.6°	122.3°
C04	C12	C13	126.4°	122.3°
C04	N05	H13	125.0°	124.8°
C12	N16	C15	111.5°	116.8°
N16	C12	C13	111.0°	115.4°
N16	C15	N17	118.3°	125.3°
N16	C15	S14	109.5°	109.4°
C12	C13	S14	109.4°	108.3°
C12	C13	H12	125.3°	125.8°
C15	N17	C18	129.5°	120.0°
N17	C15	S14	132.2°	125.3°
N17	C18	N20	117.4°	120.0°
N17	C18	N19	124.0°	120.0°
C15	S14	C13	98.6°	90.1°
S14	C13	H12	125.3°	125.9°
N20	C18	N19	118.5°	120.0°
C18	N20	H17	120.0°	120.0°
C18	N20	H14	120.0°	120.0°
C18	N19	H15	120.0°	120.0°
C18	N19	H16	120.0°	120.0°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.5°
H4	C02	H5	109.5°	109.5°
H6	C09	H7	109.4°	109.4°
H6	C09	H8	109.5°	109.5°
H7	C09	H8	109.5°	109.4°
H9	C11	H10	109.4°	109.4°
H9	C11	H11	109.4°	109.4°
H10	C11	H11	109.5°	109.4°
H15	N19	H16	120.0°	120.0°
H17	N20	H14	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C09	C08	O10	C07	177.3°	180.0°
C09	C08	C07	C03	27.4°	85.2°
C09	C08	C07	C06	151.1°	94.8°
C08	C09	H6	H7	120.0°	120.0°
C08	C09	H6	H8	120.0°	120.0°
C08	C09	H7	H8	120.0°	120.0°
O10	C08	C07	C03	155.4°	94.8°
O10	C08	C07	C06	26.1°	85.2°
O10	C08	C09	H6	0.0°	5.0°
O10	C08	C09	H7	120.0°	125.0°
O10	C08	C09	H8	120.0°	115.0°
C08	C07	C03	C02	1.0°	0.1°
C08	C07	C03	C06	178.7°	180.0°
C08	C07	C03	C04	178.4°	179.8°
C08	C07	C06	C11	0.9°	0.2°
C08	C07	C06	N05	178.3°	179.9°
C07	C08	C09	H6	177.2°	175.0°
C07	C08	C09	H7	57.2°	55.0°
C07	C08	C09	H8	62.8°	65.0°
C01	C02	C03	H4	120.5°	120.0°
C01	C02	C03	H5	120.5°	120.0°
C01	C02	C03	C07	65.4°	90.3°
C01	C02	C03	C04	115.4°	90.0°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.0°
C02	C01	H2	H3	120.0°	120.0°
C01	C02	H4	H5	118.5°	119.9°
C02	C03	C07	C04	179.4°	179.7°
C02	C03	C07	C06	179.7°	180.0°
C02	C03	C04	C12	1.1°	0.0°
C02	C03	C04	N05	179.5°	180.0°
C03	C02	C01	H1	180.0°	180.0°
C03	C02	C01	H2	60.0°	60.0°
C03	C02	C01	H3	60.0°	60.0°
C03	C02	H4	H5	118.5°	120.0°
C03	C07	C06	C11	179.6°	179.8°
C03	C07	C06	N05	0.4°	0.1°
C07	C03	C04	C12	179.5°	179.7°
C07	C03	C04	N05	0.1°	0.3°
C07	C03	C02	H4	174.2°	149.7°
C07	C03	C02	H5	55.1°	29.7°
C06	C07	C03	C04	0.3°	0.2°
C07	C06	C11	N05	179.1°	179.9°
C07	C06	N05	C04	0.4°	0.0°
C07	C06	C11	H9	90.5°	94.9°
C07	C06	C11	H10	149.5°	25.1°
C07	C06	C11	H11	29.5°	145.1°
C07	C06	N05	H13	179.6°	179.8°
C03	C04	N05	C06	0.2°	0.2°
C03	C04	C12	N05	179.4°	179.9°
C03	C04	C12	N16	19.4°	25.3°
C03	C04	C12	C13	161.7°	155.0°
C04	C03	C02	H4	5.1°	30.0°
C04	C03	C02	H5	124.1°	150.0°
C03	C04	N05	H13	179.8°	179.9°
C11	C06	N05	C04	179.6°	179.9°
C06	C11	H9	H10	120.0°	120.0°
C06	C11	H9	H11	120.0°	120.0°
C06	C11	H10	H11	120.0°	120.0°
C11	C06	N05	H13	0.4°	0.3°
C06	N05	C04	C12	179.2°	179.8°
C06	N05	C04	H13	180.0°	179.8°
N05	C06	C11	H9	90.4°	85.2°
N05	C06	C11	H10	29.6°	154.8°
N05	C06	C11	H11	149.6°	34.8°
C04	C12	N16	C13	179.1°	179.7°
C04	C12	N16	C15	179.1°	180.0°
C04	C12	C13	S14	179.1°	180.0°
C04	C12	C13	H12	1.0°	0.0°
C12	C04	N05	H13	0.7°	0.0°
N05	C04	C12	N16	160.0°	154.7°
N05	C04	C12	C13	19.0°	25.0°
C12	N16	C15	N17	178.6°	179.8°
C12	N16	C15	S14	0.1°	0.1°
N16	C12	C13	S14	0.0°	0.2°
N16	C12	C13	H12	180.0°	179.8°
C15	N16	C12	C13	0.0°	0.3°
N16	C15	N17	S14	178.1°	179.9°
N16	C15	N17	C18	122.7°	94.8°
N16	C15	S14	C13	0.1°	0.0°
C12	C13	S14	C15	0.1°	0.1°
C12	C13	S14	H12	180.0°	180.0°
N17	C15	S14	C13	178.3°	180.0°
C15	N17	C18	N20	179.1°	174.5°
C15	N17	C18	N19	1.8°	5.4°
C18	N17	C15	S14	59.2°	85.3°
N17	C18	N20	N19	179.2°	179.9°
N17	C18	N19	H15	179.1°	5.3°
N17	C18	N19	H16	0.9°	174.8°
N17	C18	N20	H17	179.2°	180.0°
N17	C18	N20	H14	0.8°	0.1°
C15	S14	C13	H12	180.0°	179.9°
N20	C18	N19	H15	0.0°	174.8°
N20	C18	N19	H16	180.0°	5.1°
C18	N20	H17	H14	180.0°	179.9°
C18	N19	H15	H16	180.0°	179.9°
N19	C18	N20	H17	0.0°	0.1°
N19	C18	N20	H14	180.0°	180.0°
H1	C01	H2	H3	120.0°	120.0°
H1	C01	C02	H4	59.5°	60.0°
H1	C01	C02	H5	59.5°	60.0°
H2	C01	C02	H4	60.5°	60.0°
H2	C01	C02	H5	179.5°	180.0°
H3	C01	C02	H4	179.5°	180.0°
H3	C01	C02	H5	60.5°	60.0°
H6	C09	H7	H8	120.0°	119.9°
H9	C11	H10	H11	120.0°	119.9°

Release date:	2022-09-28
Definition date:	2022-01-24
Last modified:	2022-09-23
Release status:	REL
Processing site:	PDBE
Derived from:	7QVU