WD4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	N1	sing	1.47Å	1.45Å
C4	C3	sing	1.54Å	1.54Å
C1	C2	sing	1.53Å	1.51Å
C1	C	sing	1.53Å	1.50Å
O	C5	doub	1.22Å	1.21Å
C2	N	sing	1.47Å	1.42Å
C2	C	sing	1.53Å	1.52Å
N1	C5	sing	1.34Å	1.38Å
C5	N	sing	1.34Å	1.43Å
C3	N	sing	1.47Å	1.48Å
N1	H1	sing	0.97Å	1.00Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C4	C3	99.8°	103.9°
C4	N1	C5	106.8°	109.2°
C4	N1	H1	126.6°	125.4°
N1	C4	H4	111.8°	110.5°
N1	C4	H5	111.8°	110.6°
C4	C3	N	102.2°	103.9°
C3	C4	H4	111.8°	110.6°
C3	C4	H5	111.9°	110.6°
C4	C3	H6	111.3°	110.6°
C4	C3	H7	111.3°	110.6°
C2	C1	C	60.4°	60.0°
C1	C2	N	119.7°	117.5°
C1	C2	C	59.5°	60.0°
C2	C1	H2	119.9°	117.5°
C2	C1	H3	120.0°	117.5°
C1	C2	H8	114.3°	117.5°
C1	C	C2	60.1°	60.0°
C	C1	H2	119.9°	117.5°
C	C1	H3	119.9°	117.5°
C1	C	H9	120.0°	117.5°
C1	C	H10	120.0°	117.5°
O	C5	N1	125.0°	123.0°
O	C5	N	127.9°	123.1°
N	C2	C	121.4°	117.5°
C2	N	C5	121.3°	125.4°
C2	N	C3	113.2°	125.4°
N	C2	H8	115.9°	115.6°
C	C2	H8	114.2°	117.5°
C2	C	H9	120.0°	117.5°
C2	C	H10	120.0°	117.5°
N1	C5	N	107.1°	113.9°
C5	N1	H1	126.6°	125.4°
C5	N	C3	107.4°	109.2°
N	C3	H6	111.3°	110.8°
N	C3	H7	111.3°	110.4°
H2	C1	H3	109.5°	115.6°
H4	C4	H5	109.5°	110.6°
H6	C3	H7	109.5°	110.5°
H9	C	H10	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C4	C3	H4	118.4°	118.6°
N1	C4	C3	H5	118.4°	118.6°
C4	N1	C5	O	145.9°	179.8°
C4	N1	C5	H1	180.0°	179.8°
C4	N1	C5	N	32.6°	0.3°
N1	C4	C3	N	33.8°	0.2°
N1	C4	H4	H5	124.5°	122.8°
N1	C4	C3	H6	152.7°	118.6°
N1	C4	C3	H7	85.0°	118.6°
C4	C3	N	C2	120.2°	179.9°
C3	C4	N1	C5	41.3°	0.0°
C4	C3	N	C5	16.4°	0.4°
C4	C3	N	H6	118.8°	118.7°
C4	C3	N	H7	118.8°	118.5°
C3	C4	N1	H1	138.7°	179.8°
C3	C4	H4	H5	124.6°	122.8°
C4	C3	H6	H7	123.4°	122.8°
C2	C1	C	H2	109.6°	107.5°
C2	C1	C	H3	109.6°	107.5°
C1	C2	N	C	70.3°	68.6°
C1	C2	N	H8	143.5°	145.6°
C1	C2	C	H8	105.0°	107.4°
C1	C2	N	C5	152.2°	60.0°
C1	C2	N	C3	22.3°	120.5°
C2	C1	H2	H3	144.5°	145.7°
C2	C1	C	H9	109.5°	107.5°
C2	C1	C	H10	109.5°	107.5°
C	C1	H2	H3	144.5°	145.7°
C1	C	H9	H10	144.7°	145.7°
O	C5	N	C2	37.3°	0.0°
O	C5	N1	N	178.4°	180.0°
O	C5	N	C3	169.6°	179.6°
O	C5	N1	H1	34.2°	0.0°
N	C2	C	H8	146.7°	145.1°
C2	N	C5	N1	141.1°	180.0°
C2	N	C5	C3	132.3°	179.5°
N	C2	C1	H2	139.3°	145.0°
N	C2	C1	H3	1.5°	0.1°
C2	N	C3	H6	1.4°	61.2°
C2	N	C3	H7	121.0°	61.5°
N	C2	C	H9	142.2°	145.1°
N	C2	C	H10	1.2°	0.0°
C	C2	N	C5	137.5°	8.6°
C	C2	N	C3	92.6°	170.9°
C2	C	H9	H10	144.7°	145.7°
N1	C5	N	C3	8.8°	0.4°
C5	N1	C4	H4	77.1°	118.6°
C5	N1	C4	H5	159.7°	118.6°
N	C5	N1	H1	147.4°	179.9°
C5	N	C3	H6	135.2°	118.3°
C5	N	C3	H7	102.5°	118.9°
C5	N	C2	H8	8.6°	154.3°
N	C3	C4	H4	84.6°	118.8°
N	C3	C4	H5	152.2°	118.4°
N	C3	H6	H7	123.4°	122.6°
C3	N	C2	H8	121.3°	25.1°
H1	N1	C4	H4	103.0°	61.2°
H1	N1	C4	H5	20.3°	61.6°
H2	C1	C2	H8	4.8°	0.0°
H2	C1	C	H9	0.1°	0.0°
H2	C1	C	H10	140.9°	145.0°
H3	C1	C2	H8	145.6°	145.0°
H3	C1	C	H9	140.9°	145.1°
H3	C1	C	H10	0.2°	0.0°
H4	C4	C3	H6	34.3°	0.0°
H4	C4	C3	H7	156.6°	122.8°
H5	C4	C3	H6	88.9°	122.8°
H5	C4	C3	H7	33.4°	0.0°
H8	C2	C	H9	4.4°	0.0°
H8	C2	C	H10	145.5°	145.0°

Release date:	2022-11-02
Definition date:	2022-09-02
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	7FP0