SPW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	0.00Å	1.47Å
N1	D1A	sing	0.00Å	1.03Å
N1	D1B	sing	0.00Å	1.04Å
N1	D1C	sing	0.00Å	1.03Å
C2	C3	sing	0.00Å	1.53Å
C2	H2A	sing	0.00Å	1.09Å
C2	H2B	sing	0.00Å	1.09Å
C3	C4	sing	0.00Å	1.53Å
C3	H3A	sing	0.00Å	1.09Å
C3	H3B	sing	0.00Å	1.09Å
C4	N5	sing	0.00Å	1.51Å
C4	H4A	sing	0.00Å	1.08Å
C4	H4B	sing	0.00Å	1.09Å
N5	C6	sing	0.00Å	1.51Å
N5	D5A	sing	0.00Å	0.99Å
N5	D5B	sing	0.00Å	0.98Å
C6	C7	sing	0.00Å	1.53Å
C6	H6A	sing	0.00Å	1.10Å
C6	H6B	sing	0.00Å	1.10Å
C7	C8	sing	0.00Å	1.53Å
C7	H7A	sing	0.00Å	1.09Å
C7	H7B	sing	0.00Å	1.09Å
C8	C9	sing	0.00Å	1.53Å
C8	H8A	sing	0.00Å	1.09Å
C8	H8B	sing	0.00Å	1.09Å
C9	N10	sing	0.00Å	1.51Å
C9	H9A	sing	0.00Å	1.09Å
C9	H9B	sing	0.00Å	1.09Å
N10	C11	sing	0.00Å	1.51Å
N10	DXT	sing	0.00Å	0.98Å
N10	DXU	sing	0.00Å	0.97Å
C11	C12	sing	0.00Å	1.53Å
C11	H111	sing	0.00Å	1.09Å
C11	H112	sing	0.00Å	1.09Å
C12	C13	sing	0.00Å	1.53Å
C12	H121	sing	0.00Å	1.09Å
C12	H122	sing	0.00Å	1.09Å
C13	N14	sing	0.00Å	1.48Å
C13	H131	sing	0.00Å	1.09Å
C13	H132	sing	0.00Å	1.09Å
N14	DXX	sing	0.00Å	1.04Å
N14	DXY	sing	0.00Å	1.04Å
N14	DXZ	sing	0.00Å	1.04Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	D1A	111.0°	90.0°
C2	N1	D1B	109.0°	90.0°
C2	N1	D1C	109.8°	90.0°
N1	C2	C3	112.3°	90.0°
N1	C2	H2A	110.2°	90.0°
N1	C2	H2B	107.8°	90.0°
D1A	N1	D1B	109.1°	90.0°
D1A	N1	D1C	108.3°	90.0°
D1B	N1	D1C	109.6°	90.0°
C3	C2	H2A	109.0°	90.0°
C3	C2	H2B	108.1°	90.0°
C2	C3	C4	110.7°	90.0°
C2	C3	H3A	109.7°	90.0°
C2	C3	H3B	109.1°	90.0°
H2A	C2	H2B	109.5°	90.0°
C4	C3	H3A	108.2°	90.0°
C4	C3	H3B	109.6°	90.0°
C3	C4	N5	111.8°	90.0°
C3	C4	H4A	108.7°	90.0°
C3	C4	H4B	108.9°	90.0°
H3A	C3	H3B	109.5°	90.0°
N5	C4	H4A	109.1°	90.0°
N5	C4	H4B	109.4°	90.0°
C4	N5	C6	113.6°	90.0°
C4	N5	D5A	108.4°	90.0°
C4	N5	D5B	108.6°	90.0°
H4A	C4	H4B	108.9°	90.0°
C6	N5	D5A	108.6°	90.0°
C6	N5	D5B	109.0°	90.0°
N5	C6	C7	109.8°	90.0°
N5	C6	H6A	109.8°	90.0°
N5	C6	H6B	108.6°	90.0°
D5A	N5	D5B	108.5°	90.0°
C7	C6	H6A	109.0°	90.0°
C7	C6	H6B	110.0°	90.0°
C6	C7	C8	112.0°	90.0°
C6	C7	H7A	110.4°	90.0°
C6	C7	H7B	108.4°	90.0°
H6A	C6	H6B	109.6°	90.0°
C8	C7	H7A	108.7°	90.0°
C8	C7	H7B	108.6°	90.0°
C7	C8	C9	111.7°	90.0°
C7	C8	H8A	108.8°	90.0°
C7	C8	H8B	108.6°	90.0°
H7A	C7	H7B	108.7°	90.0°
C9	C8	H8A	109.0°	90.0°
C9	C8	H8B	109.0°	90.0°
C8	C9	N10	112.6°	90.0°
C8	C9	H9A	108.6°	90.0°
C8	C9	H9B	109.2°	90.0°
H8A	C8	H8B	109.9°	90.0°
N10	C9	H9A	108.1°	90.0°
N10	C9	H9B	110.3°	90.0°
C9	N10	C11	112.6°	90.0°
C9	N10	DXT	109.0°	90.0°
C9	N10	DXU	109.2°	90.0°
H9A	C9	H9B	108.0°	90.0°
C11	N10	DXT	108.5°	90.0°
C11	N10	DXU	108.9°	90.0°
N10	C11	C12	111.9°	90.0°
N10	C11	H111	109.7°	90.0°
N10	C11	H112	109.0°	90.0°
DXT	N10	DXU	108.5°	90.0°
C12	C11	H111	108.7°	90.0°
C12	C11	H112	109.5°	90.0°
C11	C12	C13	111.4°	90.0°
C11	C12	H121	109.6°	90.0°
C11	C12	H122	109.0°	90.0°
H111	C11	H112	108.0°	90.0°
C13	C12	H121	109.1°	90.0°
C13	C12	H122	108.7°	90.0°
C12	C13	N14	111.1°	90.0°
C12	C13	H131	108.9°	90.0°
C12	C13	H132	109.8°	90.0°
H121	C12	H122	109.0°	90.0°
N14	C13	H131	109.0°	90.0°
N14	C13	H132	109.9°	90.0°
C13	N14	DXX	108.4°	90.0°
C13	N14	DXY	109.0°	90.0°
C13	N14	DXZ	111.8°	90.0°
H131	C13	H132	108.1°	90.0°
DXX	N14	DXY	110.2°	90.0°
DXX	N14	DXZ	109.0°	90.0°
DXY	N14	DXZ	108.3°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	D1A	D1B	120.1°	90.0°
C2	N1	D1A	D1C	120.6°	90.0°
C2	N1	D1B	D1C	120.2°	90.0°
N1	C2	C3	H2A	122.4°	90.0°
N1	C2	C3	H2B	118.7°	90.0°
N1	C2	H2A	H2B	118.4°	90.0°
N1	C2	C3	C4	179.5°	90.0°
N1	C2	C3	H3A	61.1°	90.0°
N1	C2	C3	H3B	58.9°	90.0°
D1A	N1	D1B	D1C	118.5°	90.0°
D1A	N1	C2	C3	60.1°	90.0°
D1A	N1	C2	H2A	61.5°	90.0°
D1A	N1	C2	H2B	179.1°	90.0°
D1B	N1	C2	C3	60.1°	90.0°
D1B	N1	C2	H2A	178.3°	90.0°
D1B	N1	C2	H2B	58.9°	90.0°
D1C	N1	C2	C3	179.9°	90.0°
D1C	N1	C2	H2A	58.2°	90.0°
D1C	N1	C2	H2B	61.2°	90.0°
C3	C2	H2A	H2B	118.1°	90.0°
C2	C3	C4	H3A	120.3°	90.0°
C2	C3	C4	H3B	120.3°	90.0°
C2	C3	H3A	H3B	119.7°	90.0°
C2	C3	C4	N5	91.1°	90.0°
C2	C3	C4	H4A	148.4°	90.0°
C2	C3	C4	H4B	29.8°	90.0°
H2A	C2	C3	C4	57.1°	90.0°
H2A	C2	C3	H3A	176.5°	90.0°
H2A	C2	C3	H3B	63.5°	90.0°
H2B	C2	C3	C4	61.8°	90.0°
H2B	C2	C3	H3A	57.6°	90.0°
H2B	C2	C3	H3B	177.6°	90.0°
C4	C3	H3A	H3B	119.4°	90.0°
C3	C4	N5	H4A	120.3°	90.0°
C3	C4	N5	H4B	120.7°	90.0°
C3	C4	H4A	H4B	118.6°	90.0°
C3	C4	N5	C6	173.8°	90.0°
C3	C4	N5	D5A	65.4°	90.0°
C3	C4	N5	D5B	52.3°	90.0°
H3A	C3	C4	N5	29.2°	90.0°
H3A	C3	C4	H4A	91.3°	90.0°
H3A	C3	C4	H4B	150.1°	90.0°
H3B	C3	C4	N5	148.5°	90.0°
H3B	C3	C4	H4A	28.1°	90.0°
H3B	C3	C4	H4B	90.5°	90.0°
N5	C4	H4A	H4B	119.3°	90.0°
C4	N5	C6	D5A	120.7°	90.0°
C4	N5	C6	D5B	121.3°	90.0°
C4	N5	D5A	D5B	117.8°	90.0°
C4	N5	C6	C7	178.7°	90.0°
C4	N5	C6	H6A	58.9°	90.0°
C4	N5	C6	H6B	60.9°	90.0°
H4A	C4	N5	C6	53.6°	90.0°
H4A	C4	N5	D5A	174.3°	90.0°
H4A	C4	N5	D5B	67.9°	90.0°
H4B	C4	N5	C6	65.4°	90.0°
H4B	C4	N5	D5A	55.3°	90.0°
H4B	C4	N5	D5B	173.1°	90.0°
C6	N5	D5A	D5B	118.4°	90.0°
N5	C6	C7	H6A	120.3°	90.0°
N5	C6	C7	H6B	119.5°	90.0°
N5	C6	H6A	H6B	119.2°	90.0°
N5	C6	C7	C8	141.7°	90.0°
N5	C6	C7	H7A	97.0°	90.0°
N5	C6	C7	H7B	22.0°	90.0°
D5A	N5	C6	C7	60.6°	90.0°
D5A	N5	C6	H6A	179.6°	90.0°
D5A	N5	C6	H6B	59.8°	90.0°
D5B	N5	C6	C7	57.5°	90.0°
D5B	N5	C6	H6A	62.4°	90.0°
D5B	N5	C6	H6B	177.8°	90.0°
C7	C6	H6A	H6B	120.5°	90.0°
C6	C7	C8	H7A	122.3°	90.0°
C6	C7	C8	H7B	119.7°	90.0°
C6	C7	H7A	H7B	118.8°	90.0°
C6	C7	C8	C9	179.6°	90.0°
C6	C7	C8	H8A	59.3°	90.0°
C6	C7	C8	H8B	60.3°	90.0°
H6A	C6	C7	C8	21.4°	90.0°
H6A	C6	C7	H7A	142.7°	90.0°
H6A	C6	C7	H7B	98.3°	90.0°
H6B	C6	C7	C8	98.8°	90.0°
H6B	C6	C7	H7A	22.5°	90.0°
H6B	C6	C7	H7B	141.4°	90.0°
C8	C7	H7A	H7B	118.0°	90.0°
C7	C8	C9	H8A	120.2°	90.0°
C7	C8	C9	H8B	119.9°	90.0°
C7	C8	H8A	H8B	118.7°	90.0°
C7	C8	C9	N10	180.0°	90.0°
C7	C8	C9	H9A	60.4°	90.0°
C7	C8	C9	H9B	57.1°	90.0°
H7A	C7	C8	C9	58.1°	90.0°
H7A	C7	C8	H8A	178.4°	90.0°
H7A	C7	C8	H8B	62.0°	90.0°
H7B	C7	C8	C9	59.9°	90.0°
H7B	C7	C8	H8A	60.4°	90.0°
H7B	C7	C8	H8B	179.9°	90.0°
C9	C8	H8A	H8B	119.3°	90.0°
C8	C9	N10	H9A	119.9°	90.0°
C8	C9	N10	H9B	122.3°	90.0°
C8	C9	H9A	H9B	118.3°	90.0°
C8	C9	N10	C11	153.5°	90.0°
C8	C9	N10	DXT	33.0°	90.0°
C8	C9	N10	DXU	85.4°	90.0°
H8A	C8	C9	N10	59.8°	90.0°
H8A	C8	C9	H9A	59.8°	90.0°
H8A	C8	C9	H9B	177.3°	90.0°
H8B	C8	C9	N10	60.1°	90.0°
H8B	C8	C9	H9A	179.7°	90.0°
H8B	C8	C9	H9B	62.8°	90.0°
N10	C9	H9A	H9B	119.4°	90.0°
C9	N10	C11	DXT	120.8°	90.0°
C9	N10	C11	DXU	121.2°	90.0°
C9	N10	DXT	DXU	118.8°	90.0°
C9	N10	C11	C12	159.7°	90.0°
C9	N10	C11	H111	39.0°	90.0°
C9	N10	C11	H112	79.1°	90.0°
H9A	C9	N10	C11	33.6°	90.0°
H9A	C9	N10	DXT	86.9°	90.0°
H9A	C9	N10	DXU	154.7°	90.0°
H9B	C9	N10	C11	84.2°	90.0°
H9B	C9	N10	DXT	155.3°	90.0°
H9B	C9	N10	DXU	36.9°	90.0°
C11	N10	DXT	DXU	118.2°	90.0°
N10	C11	C12	H111	121.3°	90.0°
N10	C11	C12	H112	120.9°	90.0°
N10	C11	H111	H112	118.7°	90.0°
N10	C11	C12	C13	179.7°	90.0°
N10	C11	C12	H121	59.4°	90.0°
N10	C11	C12	H122	59.8°	90.0°
DXT	N10	C11	C12	79.5°	90.0°
DXT	N10	C11	H111	159.8°	90.0°
DXT	N10	C11	H112	41.7°	90.0°
DXU	N10	C11	C12	38.5°	90.0°
DXU	N10	C11	H111	82.2°	90.0°
DXU	N10	C11	H112	159.7°	90.0°
C12	C11	H111	H112	118.7°	90.0°
C11	C12	C13	H121	121.1°	90.0°
C11	C12	C13	H122	120.1°	90.0°
C11	C12	H121	H122	119.3°	90.0°
C11	C12	C13	N14	179.9°	90.0°
C11	C12	C13	H131	59.9°	90.0°
C11	C12	C13	H132	58.3°	90.0°
H111	C11	C12	C13	58.4°	90.0°
H111	C11	C12	H121	179.3°	90.0°
H111	C11	C12	H122	61.5°	90.0°
H112	C11	C12	C13	59.3°	90.0°
H112	C11	C12	H121	61.5°	90.0°
H112	C11	C12	H122	179.3°	90.0°
C13	C12	H121	H122	118.5°	90.0°
C12	C13	N14	H131	120.0°	90.0°
C12	C13	N14	H132	121.8°	90.0°
C12	C13	H131	H132	119.2°	90.0°
C12	C13	N14	DXX	59.9°	90.0°
C12	C13	N14	DXY	60.1°	90.0°
C12	C13	N14	DXZ	179.8°	90.0°
H121	C12	C13	N14	59.0°	90.0°
H121	C12	C13	H131	179.0°	90.0°
H121	C12	C13	H132	62.9°	90.0°
H122	C12	C13	N14	59.7°	90.0°
H122	C12	C13	H131	60.3°	90.0°
H122	C12	C13	H132	178.4°	90.0°
N14	C13	H131	H132	119.4°	90.0°
C13	N14	DXX	DXY	119.3°	90.0°
C13	N14	DXX	DXZ	121.9°	90.0°
C13	N14	DXY	DXZ	121.9°	90.0°
H131	C13	N14	DXX	179.9°	90.0°
H131	C13	N14	DXY	59.9°	90.0°
H131	C13	N14	DXZ	59.9°	90.0°
H132	C13	N14	DXX	61.8°	90.0°
H132	C13	N14	DXY	178.1°	90.0°
H132	C13	N14	DXZ	58.4°	90.0°
DXX	N14	DXY	DXZ	119.2°	90.0°

Definition date:	2004-02-13
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1V9G