A1L0C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	sing	1.53Å	1.51Å
C13	C14	sing	1.53Å	1.52Å
C12	C11	sing	1.53Å	1.52Å
C14	C9	sing	1.53Å	1.52Å
C11	C10	sing	1.53Å	1.52Å
C9	C10	sing	1.53Å	1.52Å
C9	N1	sing	1.46Å	1.48Å
N1	N2	sing	1.40Å	1.34Å	Aromatic
N1	C2	sing	1.35Å	1.36Å	Aromatic
N2	N3	doub	1.29Å	1.30Å	Aromatic
C2	C1	doub	1.37Å	1.37Å	Aromatic
N3	C1	sing	1.34Å	1.37Å	Aromatic
C1	C3	sing	1.48Å	1.47Å
C3	O3	doub	1.22Å	1.23Å
C3	N4	sing	1.35Å	1.33Å
N4	C4	sing	1.46Å	1.45Å
C6	C5	sing	1.53Å	1.53Å
C6	C8	sing	1.53Å	1.52Å
C6	C7	sing	1.53Å	1.52Å
O2	B1	sing	1.37Å	1.36Å
C4	C5	sing	1.53Å	1.53Å
C4	B1	sing	1.60Å	1.58Å
O1	B1	sing	1.37Å	1.36Å
B1	OG1	sing	1.37Å	1.36Å
OG1	CB	sing	1.43Å	1.43Å
CB	CG2	sing	1.53Å	1.51Å
CB	CA	sing	1.53Å	1.53Å
N	CA	sing	1.47Å	1.49Å
CA	C	sing	1.51Å	1.53Å
O	C	doub	1.21Å	1.24Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.08Å	1.08Å
C4	H12	sing	1.09Å	1.10Å
C5	H13	sing	1.09Å	1.10Å
C5	H14	sing	1.09Å	1.10Å
C6	H15	sing	1.09Å	1.10Å
C7	H16	sing	1.09Å	1.10Å
C7	H17	sing	1.09Å	1.10Å
C7	H18	sing	1.09Å	1.10Å
C8	H19	sing	1.09Å	1.10Å
C8	H20	sing	1.09Å	1.10Å
C8	H21	sing	1.09Å	1.10Å
C9	H22	sing	1.09Å	1.10Å
N	H23	sing	1.01Å	1.00Å
N	H24	sing	1.01Å	1.00Å
CA	H26	sing	1.09Å	1.10Å
CB	H27	sing	1.09Å	1.10Å
CG2	H28	sing	1.09Å	1.10Å
CG2	H29	sing	1.09Å	1.10Å
CG2	H30	sing	1.09Å	1.10Å
C	H31	sing	1.08Å	1.08Å
N4	H32	sing	0.97Å	1.00Å
O1	H33	sing	0.97Å	0.95Å
O2	H34	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	C14	111.6°	109.4°
C13	C12	C11	111.1°	109.5°
C13	C12	H5	109.1°	109.4°
C13	C12	H6	109.1°	109.5°
C12	C13	H7	108.9°	109.5°
C12	C13	H8	109.0°	109.5°
C13	C14	C9	110.2°	109.5°
C14	C13	H7	109.0°	109.5°
C14	C13	H8	108.9°	109.5°
C13	C14	H9	109.3°	109.4°
C13	C14	H10	109.3°	109.5°
C12	C11	C10	111.5°	109.5°
C12	C11	H3	109.0°	109.5°
C12	C11	H4	108.9°	109.5°
C11	C12	H5	109.1°	109.5°
C11	C12	H6	109.1°	109.5°
C14	C9	C10	111.5°	109.4°
C14	C9	N1	112.4°	109.5°
C9	C14	H9	109.3°	109.4°
C9	C14	H10	109.3°	109.5°
C14	C9	H22	106.7°	109.5°
C11	C10	C9	110.3°	109.4°
C11	C10	H1	109.3°	109.5°
C11	C10	H2	109.2°	109.5°
C10	C11	H3	109.0°	109.5°
C10	C11	H4	109.0°	109.4°
C10	C9	N1	112.0°	109.5°
C9	C10	H1	109.3°	109.5°
C9	C10	H2	109.2°	109.4°
C10	C9	H22	106.7°	109.5°
C9	N1	N2	118.0°	126.6°
C9	N1	C2	130.8°	126.6°
N1	C9	H22	107.2°	109.4°
N2	N1	C2	111.2°	106.8°
N1	N2	N3	106.6°	108.3°
N1	C2	C1	104.4°	106.9°
N1	C2	H11	127.8°	126.6°
N2	N3	C1	110.2°	109.6°
C2	C1	N3	107.6°	108.4°
C2	C1	C3	130.4°	125.8°
C1	C2	H11	127.8°	126.5°
N3	C1	C3	122.0°	125.8°
C1	C3	O3	121.2°	120.0°
C1	C3	N4	116.9°	120.0°
O3	C3	N4	121.9°	120.1°
C3	N4	C4	122.0°	120.0°
C3	N4	H32	119.0°	120.0°
N4	C4	C5	110.6°	109.5°
N4	C4	B1	110.7°	109.4°
N4	C4	H12	109.1°	109.5°
C4	N4	H32	119.0°	120.0°
C5	C6	C8	111.3°	109.5°
C5	C6	C7	111.1°	109.5°
C6	C5	C4	114.8°	109.5°
C6	C5	H13	108.2°	109.5°
C6	C5	H14	108.1°	109.5°
C5	C6	H15	107.9°	109.5°
C8	C6	C7	110.5°	109.5°
C8	C6	H15	108.0°	109.4°
C6	C8	H19	109.5°	109.5°
C6	C8	H20	109.5°	109.5°
C6	C8	H21	109.5°	109.5°
C7	C6	H15	108.0°	109.5°
C6	C7	H16	109.5°	109.4°
C6	C7	H17	109.4°	109.5°
C6	C7	H18	109.4°	109.4°
O2	B1	C4	111.7°	109.5°
O2	B1	O1	111.1°	109.5°
O2	B1	OG1	107.9°	109.5°
B1	O2	H34	109.5°	114.1°
C5	C4	B1	110.8°	109.5°
C5	C4	H12	108.1°	109.5°
C4	C5	H13	108.1°	109.4°
C4	C5	H14	108.2°	109.5°
C4	B1	O1	110.9°	109.5°
C4	B1	OG1	108.5°	109.5°
B1	C4	H12	107.5°	109.4°
O1	B1	OG1	106.5°	109.5°
B1	O1	H33	109.5°	114.0°
B1	OG1	CB	122.8°	114.0°
OG1	CB	CG2	109.7°	109.5°
OG1	CB	CA	109.1°	109.5°
OG1	CB	H27	109.2°	109.5°
CG2	CB	CA	112.7°	109.5°
CG2	CB	H27	108.2°	109.5°
CB	CG2	H28	109.5°	109.5°
CB	CG2	H29	109.5°	109.5°
CB	CG2	H30	109.5°	109.5°
CB	CA	N	111.0°	109.5°
CB	CA	C	111.1°	109.4°
CB	CA	H26	108.2°	109.4°
CA	CB	H27	107.9°	109.5°
N	CA	C	109.4°	109.5°
CA	N	H23	109.5°	111.0°
CA	N	H24	109.5°	111.0°
N	CA	H26	108.8°	109.5°
CA	C	O	117.9°	119.9°
C	CA	H26	108.2°	109.5°
CA	C	H31	121.1°	120.1°
O	C	H31	121.1°	120.0°
H1	C10	H2	109.5°	109.5°
H3	C11	H4	109.5°	109.5°
H5	C12	H6	109.4°	109.5°
H7	C13	H8	109.5°	109.5°
H9	C14	H10	109.4°	109.5°
H13	C5	H14	109.4°	109.5°
H16	C7	H17	109.4°	109.5°
H16	C7	H18	109.5°	109.5°
H17	C7	H18	109.5°	109.5°
H19	C8	H20	109.5°	109.5°
H19	C8	H21	109.5°	109.4°
H20	C8	H21	109.5°	109.5°
H23	N	H24	109.4°	111.0°
H28	CG2	H29	109.4°	109.5°
H28	CG2	H30	109.5°	109.4°
H29	CG2	H30	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	C14	H7	120.3°	120.0°
C12	C13	C14	H8	120.3°	120.0°
C13	C12	C11	H5	120.3°	120.0°
C13	C12	C11	H6	120.2°	120.0°
C12	C13	C14	C9	55.9°	60.0°
C13	C12	C11	C10	55.6°	60.0°
C13	C12	C11	H3	175.9°	60.0°
C13	C12	C11	H4	64.7°	180.0°
C13	C12	H5	H6	119.2°	120.0°
C12	C13	H7	H8	119.0°	120.0°
C12	C13	C14	H9	176.0°	179.9°
C12	C13	C14	H10	64.3°	60.0°
C14	C13	C12	C11	55.6°	60.0°
C13	C14	C9	H9	120.1°	119.9°
C13	C14	C9	H10	120.1°	120.1°
C13	C14	C9	C10	56.5°	60.1°
C13	C14	C9	N1	176.8°	180.0°
C14	C13	C12	H5	64.6°	180.0°
C14	C13	C12	H6	175.9°	60.0°
C14	C13	H7	H8	119.0°	120.0°
C13	C14	H9	H10	119.6°	120.1°
C13	C14	C9	H22	59.6°	60.0°
C12	C11	C10	H3	120.3°	120.1°
C12	C11	C10	H4	120.3°	120.0°
C12	C11	C10	C9	55.8°	60.1°
C12	C11	C10	H1	64.3°	60.0°
C12	C11	C10	H2	175.9°	180.0°
C12	C11	H3	H4	119.1°	120.0°
C11	C12	H5	H6	119.3°	120.1°
C11	C12	C13	H7	64.7°	59.9°
C11	C12	C13	H8	176.0°	180.0°
C14	C9	C10	C11	56.5°	60.0°
C14	C9	C10	N1	126.9°	120.0°
C14	C9	C10	H22	116.1°	120.1°
C14	C9	N1	H22	116.9°	120.0°
C14	C9	N1	N2	105.2°	95.0°
C14	C9	N1	C2	75.5°	84.9°
C14	C9	C10	H1	63.6°	60.0°
C14	C9	C10	H2	176.6°	180.0°
C9	C14	C13	H7	64.4°	59.9°
C9	C14	C13	H8	176.2°	180.0°
C9	C14	H9	H10	119.7°	120.0°
C11	C10	C9	H1	120.1°	120.1°
C11	C10	C9	H2	120.1°	119.9°
C11	C10	C9	N1	176.6°	180.0°
C11	C10	H1	H2	119.6°	120.0°
C10	C11	H3	H4	119.1°	119.9°
C10	C11	C12	H5	64.7°	180.0°
C10	C11	C12	H6	175.8°	59.9°
C11	C10	C9	H22	59.6°	60.0°
C10	C9	N1	H22	116.7°	120.0°
C10	C9	N1	N2	128.4°	145.0°
C10	C9	N1	C2	50.9°	35.0°
C9	C10	H1	H2	119.6°	120.0°
C9	C10	C11	H3	176.1°	60.0°
C9	C10	C11	H4	64.5°	180.0°
C10	C9	C14	H9	176.6°	180.0°
C10	C9	C14	H10	63.6°	60.0°
C9	N1	N2	C2	179.4°	180.0°
C9	N1	N2	N3	179.6°	179.8°
C9	N1	C2	C1	179.5°	179.9°
N1	C9	C10	H1	63.3°	60.0°
N1	C9	C10	H2	56.5°	60.0°
N1	C9	C14	H9	56.7°	60.1°
N1	C9	C14	H10	63.1°	59.9°
C9	N1	C2	H11	0.5°	0.1°
N2	N1	C2	C1	0.2°	0.0°
N1	N2	N3	C1	0.2°	0.4°
N2	N1	C2	H11	179.8°	180.0°
N2	N1	C9	H22	11.6°	25.0°
C2	N1	N2	N3	0.2°	0.3°
N1	C2	C1	H11	180.0°	180.0°
N1	C2	C1	N3	0.1°	0.3°
N1	C2	C1	C3	179.8°	180.0°
C2	N1	C9	H22	167.6°	155.0°
N2	N3	C1	C2	0.0°	0.5°
N2	N3	C1	C3	180.0°	179.8°
C2	C1	N3	C3	179.9°	179.7°
C2	C1	C3	O3	9.5°	0.0°
C2	C1	C3	N4	170.5°	180.0°
N3	C1	C3	O3	170.4°	179.7°
N3	C1	C3	N4	9.6°	0.3°
N3	C1	C2	H11	179.9°	179.7°
C1	C3	O3	N4	180.0°	180.0°
C1	C3	N4	C4	148.6°	180.0°
C3	C1	C2	H11	0.2°	0.0°
C1	C3	N4	H32	31.4°	0.0°
O3	C3	N4	C4	31.4°	0.0°
O3	C3	N4	H32	148.6°	180.0°
C3	N4	C4	H32	180.0°	179.9°
C3	N4	C4	C5	139.7°	135.0°
C3	N4	C4	B1	97.1°	105.0°
C3	N4	C4	H12	21.0°	15.0°
N4	C4	C5	C6	58.9°	63.5°
N4	C4	B1	O2	61.7°	65.1°
N4	C4	C5	B1	123.1°	120.0°
N4	C4	C5	H12	119.3°	120.0°
N4	C4	B1	H12	119.0°	120.0°
N4	C4	B1	O1	62.9°	54.9°
N4	C4	B1	OG1	179.5°	174.9°
N4	C4	C5	H13	179.7°	56.5°
N4	C4	C5	H14	61.9°	176.5°
C5	C6	C8	C7	123.9°	120.0°
C5	C6	C8	H15	118.2°	120.0°
C5	C6	C7	H15	118.1°	120.0°
C6	C5	C4	H13	120.8°	120.0°
C6	C5	C4	H14	120.8°	120.0°
C6	C5	C4	B1	177.9°	176.5°
C6	C5	C4	H12	60.4°	56.6°
C6	C5	H13	H14	117.6°	120.0°
C5	C6	C7	H16	180.0°	60.0°
C5	C6	C7	H17	60.0°	180.0°
C5	C6	C7	H18	60.0°	60.0°
C5	C6	C8	H19	180.0°	61.2°
C5	C6	C8	H20	60.0°	58.8°
C5	C6	C8	H21	60.0°	178.8°
C8	C6	C7	H15	117.9°	120.0°
C8	C6	C5	C4	178.5°	65.4°
C8	C6	C5	H13	57.7°	174.7°
C8	C6	C5	H14	60.7°	54.6°
C8	C6	C7	H16	56.0°	60.0°
C8	C6	C7	H17	64.0°	60.0°
C8	C6	C7	H18	176.0°	180.0°
C6	C8	H19	H20	120.0°	120.0°
C6	C8	H19	H21	120.0°	120.0°
C6	C8	H20	H21	120.0°	120.1°
C7	C6	C5	C4	54.9°	174.6°
C7	C6	C5	H13	65.9°	54.7°
C7	C6	C5	H14	175.7°	65.4°
C6	C7	H16	H17	120.0°	120.0°
C6	C7	H16	H18	120.0°	119.9°
C6	C7	H17	H18	120.0°	120.0°
C7	C6	C8	H19	56.1°	58.8°
C7	C6	C8	H20	176.1°	178.8°
C7	C6	C8	H21	63.9°	61.2°
O2	B1	C4	C5	61.4°	174.9°
O2	B1	C4	O1	124.6°	120.0°
O2	B1	C4	OG1	118.8°	120.0°
O2	B1	O1	OG1	117.3°	120.0°
O2	B1	OG1	CB	31.4°	56.0°
O2	B1	C4	H12	179.3°	54.9°
O2	B1	O1	H33	114.0°	180.0°
C5	C4	B1	H12	117.9°	120.0°
C5	C4	B1	O1	174.1°	65.1°
C5	C4	B1	OG1	57.5°	54.9°
C4	C5	H13	H14	117.6°	120.0°
C4	C5	C6	H15	63.2°	54.6°
C5	C4	N4	H32	40.3°	45.0°
C4	B1	O1	OG1	117.9°	120.0°
C4	B1	OG1	CB	152.5°	176.0°
B1	C4	C5	H13	57.1°	63.5°
B1	C4	C5	H14	61.3°	56.5°
B1	C4	N4	H32	82.8°	75.1°
C4	B1	O1	H33	10.9°	60.0°
C4	B1	O2	H34	180.0°	60.0°
O1	B1	OG1	CB	88.0°	64.0°
O1	B1	C4	H12	56.2°	174.9°
O1	B1	O2	H34	55.6°	180.0°
B1	OG1	CB	CG2	121.4°	98.9°
B1	OG1	CB	CA	114.7°	141.2°
OG1	B1	C4	H12	60.4°	65.1°
B1	OG1	CB	H27	2.9°	21.1°
OG1	B1	O1	H33	128.7°	60.0°
OG1	B1	O2	H34	60.8°	60.0°
OG1	CB	CG2	CA	121.8°	120.0°
OG1	CB	CG2	H27	119.1°	120.0°
OG1	CB	CA	H27	118.5°	120.0°
OG1	CB	CA	N	75.6°	60.6°
OG1	CB	CA	C	162.5°	59.5°
OG1	CB	CA	H26	43.8°	179.4°
OG1	CB	CG2	H28	180.0°	179.9°
OG1	CB	CG2	H29	60.0°	60.1°
OG1	CB	CG2	H30	60.0°	60.0°
CG2	CB	CA	H27	119.3°	120.0°
CG2	CB	CA	N	162.3°	59.4°
CG2	CB	CA	C	40.3°	179.5°
CG2	CB	CA	H26	78.4°	60.6°
CB	CG2	H28	H29	120.0°	120.0°
CB	CG2	H28	H30	120.0°	120.0°
CB	CG2	H29	H30	120.0°	120.0°
CB	CA	N	C	122.9°	120.0°
CB	CA	N	H26	119.0°	120.0°
CB	CA	C	H26	118.7°	119.9°
CB	CA	C	O	80.1°	120.0°
CB	CA	N	H23	180.0°	53.9°
CB	CA	N	H24	60.0°	70.0°
CA	CB	CG2	H28	58.2°	60.0°
CA	CB	CG2	H29	61.8°	60.0°
CA	CB	CG2	H30	178.2°	180.0°
CB	CA	C	H31	99.9°	60.0°
N	CA	C	H26	118.4°	120.0°
N	CA	C	O	42.8°	0.0°
CA	N	H23	H24	120.0°	123.9°
N	CA	CB	H27	42.9°	179.4°
N	CA	C	H31	137.2°	180.0°
CA	C	O	H31	180.0°	180.0°
C	CA	N	H23	57.0°	66.1°
C	CA	N	H24	62.9°	170.0°
C	CA	CB	H27	79.0°	60.5°
O	C	CA	H26	161.2°	120.0°
H1	C10	C11	H3	56.0°	179.9°
H1	C10	C11	H4	175.4°	60.0°
H1	C10	C9	H22	179.7°	179.9°
H2	C10	C11	H3	63.7°	59.9°
H2	C10	C11	H4	55.6°	60.0°
H2	C10	C9	H22	60.5°	59.9°
H3	C11	C12	H5	55.6°	59.9°
H3	C11	C12	H6	63.9°	180.0°
H4	C11	C12	H5	175.0°	60.1°
H4	C11	C12	H6	55.5°	60.0°
H5	C12	C13	H7	175.1°	60.1°
H5	C12	C13	H8	55.7°	60.0°
H6	C12	C13	H7	55.6°	180.0°
H6	C12	C13	H8	63.8°	60.0°
H7	C13	C14	H9	55.7°	60.0°
H7	C13	C14	H10	175.4°	180.0°
H8	C13	C14	H9	63.7°	60.1°
H8	C13	C14	H10	56.1°	60.0°
H9	C14	C9	H22	60.5°	59.9°
H10	C14	C9	H22	179.7°	179.9°
H12	C4	C5	H13	60.4°	176.6°
H12	C4	C5	H14	178.8°	63.4°
H12	C4	N4	H32	159.1°	165.0°
H13	C5	C6	H15	176.0°	65.3°
H14	C5	C6	H15	57.6°	174.6°
H15	C6	C7	H16	61.9°	180.0°
H15	C6	C7	H17	178.1°	60.0°
H15	C6	C7	H18	58.1°	60.0°
H15	C6	C8	H19	61.8°	178.8°
H15	C6	C8	H20	58.2°	61.2°
H15	C6	C8	H21	178.2°	58.8°
H16	C7	H17	H18	120.0°	120.1°
H19	C8	H20	H21	120.0°	119.9°
H23	N	CA	H26	61.0°	173.9°
H24	N	CA	H26	179.0°	50.0°
H26	CA	CB	H27	162.3°	59.4°
H26	CA	C	H31	18.8°	60.0°
H27	CB	CG2	H28	61.0°	60.0°
H27	CB	CG2	H29	179.1°	180.0°
H27	CB	CG2	H30	59.1°	60.0°
H28	CG2	H29	H30	120.0°	120.0°

Release date:	2024-07-31
Definition date:	2024-04-09
Last modified:	2024-07-26
Release status:	REL
Processing site:	PDBJ
Derived from:	8YPK