SWA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.44Å
C1	C3	sing	1.52Å	1.57Å
C1	C2	sing	1.54Å	1.57Å
C1	HC1	sing	1.09Å	1.12Å
O1	HO1	sing	0.97Å	0.95Å
C3	N4	sing	1.49Å	1.48Å
C3	C7	sing	1.53Å	1.55Å
C3	HC3	sing	1.09Å	1.11Å
N4	C5	sing	1.46Å	1.49Å
N4	C9	sing	1.46Å	1.46Å
C5	C6	sing	1.54Å	1.55Å
C5	HC51	sing	1.09Å	1.12Å
C5	HC52	sing	1.09Å	1.11Å
C6	C2	sing	1.53Å	1.56Å
C6	HC61	sing	1.09Å	1.12Å
C6	HC62	sing	1.09Å	1.12Å
C2	HC21	sing	1.09Å	1.11Å
C2	HC22	sing	1.09Å	1.12Å
C9	C8	sing	1.55Å	1.55Å
C9	HC91	sing	1.09Å	1.12Å
C9	HC92	sing	1.09Å	1.12Å
C8	O13	sing	1.43Å	1.42Å
C8	C7	sing	1.55Å	1.57Å
C8	HC8	sing	1.09Å	1.11Å
O13	H13O	sing	0.97Å	0.95Å
C7	O11	sing	1.43Å	1.44Å
C7	HC7	sing	1.09Å	1.11Å
O11	H11O	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C3	110.4°	109.9°
O1	C1	C2	110.9°	109.9°
O1	C1	HC1	107.6°	109.9°
C1	O1	HO1	110.4°	106.8°
C3	C1	C2	108.6°	107.2°
C3	C1	HC1	109.9°	109.9°
C1	C3	N4	108.1°	107.7°
C1	C3	C7	117.0°	114.6°
C1	C3	HC3	103.8°	110.9°
C2	C1	HC1	109.4°	109.9°
C1	C2	C6	111.3°	110.5°
C1	C2	HC21	111.5°	109.3°
C1	C2	HC22	111.5°	109.3°
N4	C3	C7	104.6°	102.3°
N4	C3	HC3	116.4°	110.5°
C3	N4	C5	113.5°	105.1°
C3	N4	C9	108.7°	104.7°
C7	C3	HC3	107.4°	110.5°
C3	C7	C8	102.5°	101.7°
C3	C7	O11	111.1°	111.0°
C3	C7	HC7	113.5°	111.0°
C5	N4	C9	118.4°	113.0°
N4	C5	C6	108.4°	107.9°
N4	C5	HC51	112.6°	109.8°
N4	C5	HC52	112.6°	109.8°
N4	C9	C8	105.7°	105.8°
N4	C9	HC91	113.6°	110.2°
N4	C9	HC92	113.6°	110.2°
C6	C5	HC51	112.6°	109.8°
C6	C5	HC52	112.6°	109.8°
C5	C6	C2	110.1°	110.9°
C5	C6	HC61	112.0°	109.2°
C5	C6	HC62	112.0°	109.1°
HC51	C5	HC52	97.8°	109.8°
C2	C6	HC61	112.0°	109.2°
C2	C6	HC62	112.0°	109.2°
C6	C2	HC21	111.5°	109.4°
C6	C2	HC22	111.5°	109.3°
HC61	C6	HC62	98.4°	109.2°
HC21	C2	HC22	98.9°	109.1°
C8	C9	HC91	113.7°	110.2°
C8	C9	HC92	113.7°	110.2°
C9	C8	O13	110.4°	110.3°
C9	C8	C7	106.5°	104.9°
C9	C8	HC8	111.4°	110.3°
HC91	C9	HC92	96.8°	110.1°
O13	C8	C7	111.0°	110.5°
O13	C8	HC8	106.8°	110.3°
C8	O13	H13O	110.4°	106.8°
C7	C8	HC8	110.8°	110.4°
C8	C7	O11	111.1°	111.0°
C8	C7	HC7	113.5°	111.0°
O11	C7	HC7	105.3°	110.9°
C7	O11	H11O	111.1°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C3	C2	121.8°	119.5°
O1	C1	C3	HC1	118.6°	121.1°
O1	C1	C2	HC1	118.5°	121.1°
O1	C1	C3	N4	180.0°	175.2°
O1	C1	C3	C7	62.3°	62.2°
O1	C1	C3	HC3	55.8°	63.8°
O1	C1	C2	C6	176.9°	173.1°
O1	C1	C2	HC21	51.7°	52.7°
O1	C1	C2	HC22	57.9°	66.6°
C3	C1	C2	HC1	120.0°	119.4°
C3	C1	O1	HO1	180.0°	178.9°
C1	C3	N4	C7	125.4°	121.0°
C1	C3	N4	HC3	116.3°	121.3°
C1	C3	C7	HC3	116.2°	126.2°
C1	C3	N4	C5	64.4°	74.1°
C1	C3	N4	C9	161.6°	166.6°
C3	C1	C2	C6	55.5°	53.6°
C3	C1	C2	HC21	69.8°	66.7°
C3	C1	C2	HC22	179.3°	173.9°
C1	C3	C7	C8	150.1°	157.1°
C1	C3	C7	O11	31.4°	39.0°
C1	C3	C7	HC7	87.1°	84.7°
C2	C1	O1	HO1	59.6°	61.1°
C2	C1	C3	N4	58.3°	65.4°
C2	C1	C3	C7	175.9°	178.4°
C2	C1	C3	HC3	65.9°	55.7°
C1	C2	C6	C5	54.7°	51.1°
C1	C2	C6	HC21	125.3°	120.3°
C1	C2	C6	HC22	125.2°	120.3°
C1	C2	C6	HC61	70.6°	171.5°
C1	C2	C6	HC62	180.0°	69.2°
C1	C2	HC21	HC22	117.5°	119.5°
HC1	C1	O1	HO1	60.0°	60.0°
HC1	C1	C3	N4	61.4°	54.1°
HC1	C1	C3	C7	56.3°	59.0°
HC1	C1	C3	HC3	174.4°	175.1°
HC1	C1	C2	C6	64.5°	65.8°
HC1	C1	C2	HC21	170.2°	173.8°
HC1	C1	C2	HC22	60.7°	54.5°
N4	C3	C7	HC3	124.3°	117.6°
C3	N4	C5	C9	129.1°	113.6°
C3	N4	C5	C6	62.9°	69.1°
C3	N4	C5	HC51	171.8°	50.5°
C3	N4	C5	HC52	62.3°	171.3°
C3	N4	C9	C8	25.9°	31.0°
C3	N4	C9	HC91	99.4°	88.1°
C3	N4	C9	HC92	151.2°	150.2°
N4	C3	C7	C8	30.5°	41.0°
N4	C3	C7	O11	88.2°	77.1°
N4	C3	C7	HC7	153.4°	159.1°
C7	C3	N4	C5	170.2°	164.8°
C7	C3	N4	C9	36.3°	45.6°
C3	C7	C8	C9	15.3°	22.2°
C3	C7	C8	O13	135.5°	141.1°
C3	C7	C8	O11	118.7°	118.1°
C3	C7	C8	HC7	122.8°	118.2°
C3	C7	C8	HC8	105.9°	96.7°
C3	C7	O11	HC7	123.3°	123.9°
C3	C7	O11	H11O	180.0°	173.8°
HC3	C3	N4	C5	51.9°	47.2°
HC3	C3	N4	C9	82.1°	72.0°
HC3	C3	C7	C8	93.8°	76.7°
HC3	C3	C7	O11	147.6°	165.2°
HC3	C3	C7	HC7	29.1°	41.4°
N4	C5	C6	HC51	125.3°	119.6°
N4	C5	C6	HC52	125.3°	119.7°
N4	C5	HC51	HC52	118.6°	120.8°
N4	C5	C6	C2	55.8°	59.1°
N4	C5	C6	HC61	69.5°	179.5°
N4	C5	C6	HC62	179.0°	61.3°
C5	N4	C9	C8	157.2°	144.8°
C5	N4	C9	HC91	32.0°	25.7°
C5	N4	C9	HC92	77.5°	96.1°
C9	N4	C5	C6	167.9°	177.4°
C9	N4	C5	HC51	42.7°	63.0°
C9	N4	C5	HC52	66.8°	57.7°
N4	C9	C8	HC91	125.3°	119.0°
N4	C9	C8	HC92	125.2°	119.2°
N4	C9	HC91	HC92	119.5°	121.8°
N4	C9	C8	O13	115.2°	114.3°
N4	C9	C8	C7	5.4°	4.7°
N4	C9	C8	HC8	126.3°	123.5°
C6	C5	HC51	HC52	118.5°	120.8°
C5	C6	C2	HC61	125.3°	120.4°
C5	C6	C2	HC62	125.3°	120.3°
C5	C6	HC61	HC62	117.9°	119.2°
C5	C6	C2	HC21	70.6°	69.2°
C5	C6	C2	HC22	179.9°	171.4°
HC51	C5	C6	C2	179.0°	60.5°
HC51	C5	C6	HC61	55.7°	59.9°
HC51	C5	C6	HC62	53.7°	179.1°
HC52	C5	C6	C2	69.5°	178.7°
HC52	C5	C6	HC61	165.2°	60.9°
HC52	C5	C6	HC62	55.7°	58.4°
C2	C6	HC61	HC62	117.9°	119.4°
C6	C2	HC21	HC22	117.4°	119.5°
HC61	C6	C2	HC21	164.1°	51.1°
HC61	C6	C2	HC22	54.6°	68.2°
HC62	C6	C2	HC21	54.7°	170.5°
HC62	C6	C2	HC22	54.8°	51.1°
C8	C9	HC91	HC92	119.6°	121.8°
C9	C8	O13	C7	117.8°	115.6°
C9	C8	O13	HC8	121.3°	122.2°
C9	C8	C7	HC8	121.2°	118.9°
C9	C8	O13	H13O	180.0°	61.5°
C9	C8	C7	O11	103.3°	95.9°
C9	C8	C7	HC7	138.2°	140.3°
HC91	C9	C8	O13	119.5°	126.6°
HC91	C9	C8	C7	119.8°	114.4°
HC91	C9	C8	HC8	1.0°	4.5°
HC92	C9	C8	O13	10.0°	4.8°
HC92	C9	C8	C7	130.7°	123.8°
HC92	C9	C8	HC8	108.5°	117.3°
O13	C8	C7	HC8	118.6°	122.2°
O13	C8	C7	O11	16.9°	23.0°
O13	C8	C7	HC7	101.6°	100.8°
C7	C8	O13	H13O	62.1°	177.0°
C8	C7	O11	HC7	123.3°	123.8°
C8	C7	O11	H11O	66.6°	61.5°
HC8	C8	O13	H13O	58.8°	60.7°
HC8	C8	C7	O11	135.4°	145.2°
HC8	C8	C7	HC7	16.9°	21.5°
HC7	C7	O11	H11O	56.7°	62.4°

Definition date:	2001-01-15
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1HWW