A1IYS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O10	N16	sing	1.46Å	1.37Å
N16	C6	sing	1.47Å	1.45Å
C6	C7	sing	1.53Å	1.51Å
C7	N14	sing	1.47Å	1.47Å
N14	C1	sing	1.35Å	1.39Å
C1	O8	doub	1.21Å	1.19Å
N14	C2	sing	1.47Å	1.46Å
C2	C3	sing	1.51Å	1.53Å
C3	N15	sing	1.35Å	1.33Å
N15	O24	sing	1.42Å	1.41Å
O24	C23	sing	1.43Å	1.44Å
C23	C22	sing	1.53Å	1.50Å
C22	N21	sing	1.47Å	1.49Å
C3	O9	doub	1.21Å	1.23Å
C2	C4	sing	1.53Å	1.54Å
C4	C5	sing	1.53Å	1.53Å
C5	C6	sing	1.53Å	1.52Å
C23	H18	sing	1.09Å	1.10Å
C23	H17	sing	1.09Å	1.10Å
C22	H15	sing	1.09Å	1.10Å
C22	H16	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.09Å	1.10Å
N15	H3	sing	0.97Å	1.00Å
N21	H12	sing	1.01Å	1.00Å
N21	H13	sing	1.01Å	1.00Å
N16	H11	sing	1.01Å	1.00Å
O10	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O10	N16	C6	121.9°	111.0°
O10	N16	H11	106.3°	111.0°
N16	O10	H14	109.5°	114.0°
N16	C6	C7	108.9°	109.5°
N16	C6	C5	109.9°	109.5°
N16	C6	H6	110.2°	109.5°
C6	N16	H11	106.3°	111.0°
C6	C7	N14	108.9°	108.8°
C7	C6	C5	109.1°	109.3°
C7	C6	H6	109.3°	109.5°
C6	C7	H5	109.6°	109.6°
C6	C7	H4	109.6°	109.5°
C7	N14	C1	124.7°	120.6°
C7	N14	C2	114.4°	118.8°
N14	C7	H5	109.6°	109.7°
N14	C7	H4	109.6°	109.6°
N14	C1	O8	123.4°	120.0°
C1	N14	C2	120.8°	120.6°
N14	C1	H1	118.3°	119.9°
O8	C1	H1	118.3°	120.0°
N14	C2	C3	112.0°	109.6°
N14	C2	C4	108.6°	108.8°
N14	C2	H2	108.8°	109.7°
C2	C3	N15	115.0°	120.0°
C2	C3	O9	121.6°	120.0°
C3	C2	C4	111.6°	109.6°
C3	C2	H2	107.9°	109.6°
C3	N15	O24	113.8°	120.0°
N15	C3	O9	123.4°	120.0°
C3	N15	H3	123.1°	120.0°
N15	O24	C23	108.4°	114.0°
O24	N15	H3	123.1°	120.0°
O24	C23	C22	108.0°	109.5°
O24	C23	H18	109.8°	109.5°
O24	C23	H17	109.8°	109.4°
C23	C22	N21	111.2°	109.5°
C22	C23	H18	109.9°	109.5°
C22	C23	H17	109.8°	109.5°
C23	C22	H15	109.0°	109.5°
C23	C22	H16	109.0°	109.5°
N21	C22	H15	109.0°	109.5°
N21	C22	H16	109.1°	109.5°
C22	N21	H12	109.5°	111.0°
C22	N21	H13	109.4°	111.0°
C2	C4	C5	116.3°	109.3°
C2	C4	H9	107.7°	109.5°
C2	C4	H10	107.8°	109.5°
C4	C2	H2	107.8°	109.6°
C4	C5	C6	112.2°	109.5°
C5	C4	H9	107.7°	109.4°
C5	C4	H10	107.7°	109.5°
C4	C5	H8	108.8°	109.5°
C4	C5	H7	108.8°	109.5°
C6	C5	H8	108.8°	109.4°
C6	C5	H7	108.8°	109.5°
C5	C6	H6	109.3°	109.5°
H18	C23	H17	109.5°	109.5°
H15	C22	H16	109.5°	109.5°
H9	C4	H10	109.5°	109.6°
H8	C5	H7	109.5°	109.4°
H5	C7	H4	109.5°	109.7°
H12	N21	H13	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O10	N16	C6	H11	121.7°	123.9°
O10	N16	C6	C7	170.0°	59.9°
O10	N16	C6	C5	50.5°	60.0°
O10	N16	C6	H6	70.0°	179.9°
N16	C6	C7	C5	120.0°	120.0°
N16	C6	C7	H6	120.5°	120.1°
N16	C6	C7	N14	58.7°	174.6°
N16	C6	C5	C4	68.2°	178.7°
N16	C6	C5	H6	121.1°	120.1°
N16	C6	C5	H8	171.4°	58.6°
N16	C6	C5	H7	52.2°	61.3°
N16	C6	C7	H5	178.6°	65.6°
N16	C6	C7	H4	61.2°	54.8°
C6	N16	O10	H14	180.0°	179.9°
C6	C7	N14	H5	119.9°	119.8°
C6	C7	N14	H4	119.9°	119.7°
C6	C7	N14	C1	109.4°	126.4°
C6	C7	N14	C2	66.1°	53.5°
C7	C6	C5	C4	51.2°	61.4°
C7	C6	C5	H6	119.5°	119.9°
C7	C6	C5	H8	69.3°	178.6°
C7	C6	C5	H7	171.6°	58.7°
C6	C7	H5	H4	120.3°	120.3°
C7	C6	N16	H11	68.3°	176.2°
C7	N14	C1	C2	175.3°	180.0°
C7	N14	C1	O8	160.7°	5.4°
C7	N14	C2	C3	69.0°	173.4°
C7	N14	C2	C4	54.7°	53.6°
N14	C7	C6	C5	61.3°	54.6°
N14	C7	C6	H6	179.2°	65.3°
N14	C7	H5	H4	120.3°	120.4°
C7	N14	C1	H1	19.3°	174.6°
C7	N14	C2	H2	171.8°	66.3°
N14	C1	O8	H1	180.0°	180.0°
C1	N14	C2	C3	115.3°	6.6°
C1	N14	C2	C4	121.0°	126.4°
C1	N14	C7	H5	130.7°	6.6°
C1	N14	C7	H4	10.5°	113.9°
C1	N14	C2	H2	3.9°	113.7°
O8	C1	N14	C2	14.6°	174.6°
N14	C2	C3	C4	122.0°	119.3°
N14	C2	C3	H2	119.7°	120.4°
N14	C2	C3	N15	169.7°	135.2°
N14	C2	C3	O9	11.6°	44.9°
N14	C2	C4	H2	117.7°	119.9°
N14	C2	C4	C5	43.3°	54.6°
N14	C2	C4	H9	164.3°	174.5°
N14	C2	C4	H10	77.7°	65.3°
C2	N14	C7	H5	53.8°	173.4°
C2	N14	C7	H4	174.0°	66.1°
C2	N14	C1	H1	165.4°	5.4°
C2	C3	N15	O9	178.7°	180.0°
C2	C3	N15	O24	124.9°	180.0°
C3	C2	C4	H2	118.4°	120.3°
C3	C2	C4	C5	80.6°	174.4°
C3	C2	C4	H9	40.4°	65.7°
C3	C2	C4	H10	158.4°	54.5°
C2	C3	N15	H3	55.1°	0.0°
C3	N15	O24	H3	180.0°	179.9°
C3	N15	O24	C23	123.9°	180.0°
N15	C3	C2	C4	47.7°	105.5°
N15	C3	C2	H2	70.6°	14.8°
N15	O24	C23	C22	143.8°	180.0°
O24	N15	C3	O9	53.8°	0.0°
N15	O24	C23	H18	96.4°	60.0°
N15	O24	C23	H17	24.0°	60.0°
O24	C23	C22	H18	119.8°	120.0°
O24	C23	C22	H17	119.7°	119.9°
O24	C23	C22	N21	122.3°	65.0°
O24	C23	H18	H17	120.7°	119.9°
O24	C23	C22	H15	2.0°	175.0°
O24	C23	C22	H16	117.4°	55.0°
C23	O24	N15	H3	56.1°	0.0°
C23	C22	N21	H15	120.2°	120.0°
C23	C22	N21	H16	120.3°	120.0°
C22	C23	H18	H17	120.7°	120.1°
C23	C22	H15	H16	119.2°	120.0°
C23	C22	N21	H12	180.0°	56.0°
C23	C22	N21	H13	60.0°	180.0°
N21	C22	C23	H18	118.0°	175.0°
N21	C22	C23	H17	2.5°	54.9°
N21	C22	H15	H16	119.3°	120.0°
C22	N21	H12	H13	120.0°	124.0°
O9	C3	C2	C4	133.6°	74.4°
O9	C3	C2	H2	108.1°	165.2°
O9	C3	N15	H3	126.2°	179.9°
C2	C4	C5	H9	121.0°	119.9°
C2	C4	C5	H10	121.0°	120.0°
C2	C4	C5	C6	43.8°	61.4°
C2	C4	H9	H10	116.9°	120.1°
C2	C4	C5	H8	76.6°	178.6°
C2	C4	C5	H7	164.2°	58.7°
C4	C5	C6	H8	120.4°	120.0°
C4	C5	C6	H7	120.4°	120.1°
C5	C4	H9	H10	116.9°	120.1°
C4	C5	H8	H7	118.7°	120.0°
C4	C5	C6	H6	170.7°	58.6°
C5	C4	C2	H2	161.0°	65.3°
C6	C5	C4	H9	164.8°	178.7°
C6	C5	C4	H10	77.2°	58.6°
C6	C5	H8	H7	118.7°	119.9°
C5	C6	C7	H5	58.6°	174.4°
C5	C6	C7	H4	178.8°	65.2°
C5	C6	N16	H11	172.2°	63.9°
H18	C23	C22	H15	121.8°	55.0°
H18	C23	C22	H16	2.3°	65.0°
H17	C23	C22	H15	117.7°	65.1°
H17	C23	C22	H16	122.8°	174.9°
H15	C22	N21	H12	59.8°	63.9°
H15	C22	N21	H13	179.8°	60.1°
H16	C22	N21	H12	59.8°	176.0°
H16	C22	N21	H13	60.2°	60.0°
H9	C4	C5	H8	44.4°	58.7°
H9	C4	C5	H7	74.8°	61.2°
H9	C4	C2	H2	78.0°	54.6°
H10	C4	C5	H8	162.4°	61.4°
H10	C4	C5	H7	43.2°	178.7°
H10	C4	C2	H2	40.0°	174.7°
H8	C5	C6	H6	50.2°	61.5°
H7	C5	C6	H6	68.9°	178.6°
H6	C6	C7	H5	60.9°	54.5°
H6	C6	C7	H4	59.3°	174.9°
H6	C6	N16	H11	51.7°	56.1°
H11	N16	O10	H14	58.3°	56.1°

Release date:	2025-09-03
Definition date:	2025-01-14
Last modified:	2025-08-29
Release status:	REL
Processing site:	PDBE
Derived from:	9HPV