AS1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O51	C5	doub	1.21Å	1.27Å
O52	C5	sing	1.34Å	1.26Å
C5	C4	sing	1.51Å	1.53Å
C2	C3	sing	1.53Å	1.53Å
C2	C1	sing	1.53Å	1.52Å
C3	C4	sing	1.53Å	1.54Å
C4	N4	sing	1.47Å	1.49Å
N2	C1	sing	1.47Å	1.45Å
N2	C	doub	1.30Å	1.33Å
OD2	CD	doub	1.21Å	1.26Å
N1	C	sing	1.37Å	1.34Å
N1	CA	sing	1.46Å	1.47Å
C	N3	sing	1.38Å	1.32Å
CD	OD1	sing	1.34Å	1.24Å
CD	CB	sing	1.51Å	1.52Å
CB	CA	sing	1.53Å	1.53Å
CA	CG	sing	1.51Å	1.55Å
OG2	CG	doub	1.21Å	1.26Å
CG	OG1	sing	1.34Å	1.25Å
O52	H1	sing	0.97Å	0.95Å
C4	H2	sing	1.09Å	1.10Å
N4	H3	sing	1.01Å	1.00Å
N4	H4	sing	1.01Å	1.00Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
N3	H13	sing	0.97Å	1.00Å
N3	H14	sing	0.97Å	1.00Å
CA	H16	sing	1.09Å	1.10Å
OG1	H17	sing	0.97Å	0.95Å
CB	H18	sing	1.09Å	1.10Å
CB	H19	sing	1.09Å	1.10Å
OD1	H20	sing	0.97Å	0.95Å
N1	H5	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O51	C5	O52	126.9°	120.0°
O51	C5	C4	117.6°	120.0°
O52	C5	C4	115.5°	120.0°
C5	O52	H1	109.5°	117.0°
C5	C4	C3	110.6°	109.5°
C5	C4	N4	108.4°	109.5°
C5	C4	H2	108.2°	109.4°
C3	C2	C1	112.7°	109.4°
C2	C3	C4	114.6°	109.4°
C2	C3	H6	108.2°	109.5°
C2	C3	H7	108.2°	109.5°
C3	C2	H8	108.6°	109.5°
C3	C2	H9	108.6°	109.4°
C2	C1	N2	112.3°	109.4°
C1	C2	H8	108.7°	109.5°
C1	C2	H9	108.7°	109.5°
C2	C1	H10	108.8°	109.5°
C2	C1	H11	108.8°	109.5°
C3	C4	N4	112.5°	109.5°
C3	C4	H2	108.2°	109.5°
C4	C3	H6	108.2°	109.5°
C4	C3	H7	108.2°	109.5°
N4	C4	H2	108.7°	109.5°
C4	N4	H3	109.5°	111.0°
C4	N4	H4	109.4°	111.0°
C1	N2	C	124.4°	120.0°
N2	C1	H10	108.8°	109.5°
N2	C1	H11	108.8°	109.4°
N2	C	N1	120.7°	120.0°
N2	C	N3	118.5°	120.0°
OD2	CD	OD1	123.9°	120.0°
OD2	CD	CB	118.7°	120.0°
C	N1	CA	127.1°	120.0°
N1	C	N3	120.8°	120.0°
C	N1	H5	116.5°	120.0°
N1	CA	CB	113.1°	109.5°
N1	CA	CG	114.8°	109.5°
N1	CA	H16	107.8°	109.5°
CA	N1	H5	116.5°	120.0°
C	N3	H13	120.0°	119.9°
C	N3	H14	120.0°	120.0°
OD1	CD	CB	117.5°	120.0°
CD	OD1	H20	109.5°	117.0°
CD	CB	CA	113.6°	109.4°
CD	CB	H18	108.4°	109.5°
CD	CB	H19	108.4°	109.4°
CB	CA	CG	106.9°	109.4°
CB	CA	H16	107.0°	109.5°
CA	CB	H18	108.5°	109.5°
CA	CB	H19	108.5°	109.5°
CA	CG	OG2	118.8°	119.9°
CA	CG	OG1	116.2°	120.0°
CG	CA	H16	106.8°	109.4°
OG2	CG	OG1	125.0°	120.0°
CG	OG1	H17	109.5°	117.0°
H3	N4	H4	109.5°	111.0°
H6	C3	H7	109.5°	109.5°
H8	C2	H9	109.5°	109.5°
H10	C1	H11	109.4°	109.5°
H13	N3	H14	120.0°	120.0°
H18	CB	H19	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O51	C5	O52	C4	179.6°	179.9°
O51	C5	C4	C3	68.5°	100.0°
O51	C5	C4	N4	167.6°	20.1°
O51	C5	O52	H1	0.0°	0.1°
O51	C5	C4	H2	49.8°	140.0°
O52	C5	C4	C3	111.9°	79.9°
O52	C5	C4	N4	12.0°	160.0°
O52	C5	C4	H2	129.8°	40.1°
C5	C4	C3	C2	95.1°	175.0°
C5	C4	C3	N4	121.5°	120.0°
C5	C4	C3	H2	118.4°	120.0°
C5	C4	N4	H2	117.5°	119.9°
C4	C5	O52	H1	179.6°	180.0°
C5	C4	N4	H3	180.0°	60.1°
C5	C4	N4	H4	60.0°	176.0°
C5	C4	C3	H6	25.6°	65.1°
C5	C4	C3	H7	144.1°	55.0°
C3	C2	C1	H8	120.5°	120.0°
C3	C2	C1	H9	120.5°	119.9°
C2	C3	C4	H6	120.8°	120.0°
C2	C3	C4	H7	120.7°	120.0°
C2	C3	C4	N4	143.4°	65.0°
C3	C2	C1	N2	172.4°	180.0°
C2	C3	C4	H2	23.3°	55.0°
C2	C3	H6	H7	117.7°	120.0°
C3	C2	H8	H9	118.5°	120.0°
C3	C2	C1	H10	67.2°	60.0°
C3	C2	C1	H11	51.9°	60.0°
C1	C2	C3	C4	57.0°	180.0°
C2	C1	N2	H10	120.4°	120.0°
C2	C1	N2	H11	120.4°	120.0°
C2	C1	N2	C	164.7°	116.8°
C1	C2	C3	H6	177.8°	60.0°
C1	C2	C3	H7	63.8°	60.0°
C1	C2	H8	H9	118.5°	120.1°
C2	C1	H10	H11	118.7°	120.1°
C3	C4	N4	H2	119.8°	120.0°
C3	C4	N4	H3	57.3°	60.0°
C3	C4	N4	H4	177.3°	64.0°
C4	C3	H6	H7	117.7°	120.0°
C4	C3	C2	H8	177.5°	60.0°
C4	C3	C2	H9	63.5°	60.0°
C4	N4	H3	H4	120.0°	124.0°
N4	C4	C3	H6	95.8°	55.0°
N4	C4	C3	H7	22.7°	175.0°
C1	N2	C	N1	178.4°	173.7°
C1	N2	C	N3	2.7°	6.3°
N2	C1	C2	H8	51.9°	60.0°
N2	C1	C2	H9	67.1°	60.1°
N2	C1	H10	H11	118.7°	119.9°
N2	C	N1	N3	178.9°	180.0°
N2	C	N1	CA	173.9°	180.0°
C	N2	C1	H10	74.9°	3.1°
C	N2	C1	H11	44.2°	123.1°
N2	C	N3	H13	179.0°	11.0°
N2	C	N3	H14	1.0°	169.0°
N2	C	N1	H5	6.1°	0.0°
OD2	CD	OD1	CB	179.2°	180.0°
OD2	CD	CB	CA	38.4°	0.0°
OD2	CD	CB	H18	82.2°	120.0°
OD2	CD	CB	H19	159.1°	120.0°
OD2	CD	OD1	H20	0.0°	0.0°
C	N1	CA	H5	180.0°	180.0°
C	N1	CA	CB	173.1°	155.0°
C	N1	CA	CG	63.9°	85.0°
N1	C	N3	H13	0.0°	169.0°
N1	C	N3	H14	180.0°	11.0°
C	N1	CA	H16	55.0°	35.0°
CA	N1	C	N3	7.1°	0.0°
N1	CA	CB	CD	82.7°	65.0°
N1	CA	CB	CG	127.3°	120.0°
N1	CA	CB	H16	118.5°	120.0°
N1	CA	CG	H16	119.4°	120.0°
N1	CA	CG	OG2	17.2°	0.0°
N1	CA	CG	OG1	162.8°	180.0°
N1	CA	CB	H18	37.9°	55.0°
N1	CA	CB	H19	156.7°	175.0°
C	N3	H13	H14	180.0°	180.0°
N3	C	N1	H5	172.9°	180.0°
OD1	CD	CB	CA	142.3°	180.0°
OD1	CD	CB	H18	97.1°	60.0°
OD1	CD	CB	H19	21.7°	60.0°
CD	CB	CA	H18	120.6°	120.0°
CD	CB	CA	H19	120.6°	120.0°
CD	CB	CA	CG	44.6°	175.0°
CD	CB	CA	H16	158.8°	55.0°
CD	CB	H18	H19	118.1°	120.0°
CB	CD	OD1	H20	179.2°	180.0°
CB	CA	CG	H16	114.3°	119.9°
CB	CA	CG	OG2	109.1°	120.1°
CB	CA	CG	OG1	71.0°	59.9°
CA	CB	H18	H19	118.2°	120.1°
CB	CA	N1	H5	6.9°	25.0°
CA	CG	OG2	OG1	179.9°	180.0°
CA	CG	OG1	H17	180.0°	180.0°
CG	CA	CB	H18	165.2°	65.1°
CG	CA	CB	H19	76.0°	55.0°
CG	CA	N1	H5	116.1°	95.0°
OG2	CG	CA	H16	136.6°	120.0°
OG2	CG	OG1	H17	0.0°	0.0°
OG1	CG	CA	H16	43.3°	60.0°
H2	C4	N4	H3	62.5°	180.0°
H2	C4	N4	H4	57.5°	56.1°
H2	C4	C3	H6	144.0°	175.0°
H2	C4	C3	H7	97.5°	65.0°
H6	C3	C2	H8	61.7°	180.0°
H6	C3	C2	H9	57.3°	60.0°
H7	C3	C2	H8	56.7°	60.0°
H7	C3	C2	H9	175.8°	180.0°
H8	C2	C1	H10	172.3°	180.0°
H8	C2	C1	H11	68.5°	59.9°
H9	C2	C1	H10	53.3°	59.9°
H9	C2	C1	H11	172.4°	180.0°
H16	CA	CB	H18	80.6°	175.0°
H16	CA	CB	H19	38.2°	64.9°
H16	CA	N1	H5	125.0°	145.0°

Definition date:	2001-03-30
Last modified:	2024-09-23
Release status:	REL
Processing site:	PDBE
Derived from:	9GGJ