B1Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N19	C20	sing	1.47Å	1.45Å
O22	C21	sing	1.43Å	1.40Å
C20	C21	sing	1.53Å	1.52Å
C20	C24	sing	1.53Å	1.54Å
C24	C25	sing	1.53Å	1.55Å
C25	C26	sing	1.55Å	1.54Å
C25	C29	sing	1.51Å	1.52Å
C26	C27	sing	1.55Å	1.38Å
C29	O30	doub	1.21Å	1.19Å
C29	N28	sing	1.34Å	1.36Å
C27	N28	sing	1.47Å	1.59Å
N19	H19	sing	1.01Å	1.00Å
C20	H20	sing	1.09Å	1.10Å
C21	H21	sing	1.09Å	1.10Å
O22	H23	sing	0.97Å	0.95Å
C24	H24	sing	1.09Å	1.10Å
C24	H25	sing	1.09Å	1.10Å
C25	H26	sing	1.09Å	1.10Å
C26	H27	sing	1.09Å	1.10Å
C26	H28	sing	1.09Å	1.10Å
C27	H29	sing	1.09Å	1.10Å
C27	H30	sing	1.09Å	1.10Å
N28	H31	sing	0.97Å	1.00Å
C21	S1	sing	1.81Å	21.44Å
S1	O3	doub	1.42Å	0.00Å
S1	O1	doub	1.42Å	0.00Å
S1	O2	sing	1.52Å	0.00Å
O2	H35	sing	0.97Å	0.00Å
N19	H2	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N19	C20	C21	106.7°	109.5°
N19	C20	C24	106.9°	109.4°
C20	N19	H19	109.5°	111.0°
N19	C20	H20	110.7°	109.4°
C20	N19	H2	109.5°	111.0°
O22	C21	C20	109.7°	109.5°
O22	C21	H21	122.6°	109.5°
C21	O22	H23	109.5°	114.0°
O22	C21	S1	105.7°	109.4°
C21	C20	C24	113.4°	109.5°
C21	C20	H20	109.7°	109.5°
C20	C21	H21	119.9°	109.5°
C20	C21	S1	101.0°	109.5°
C20	C24	C25	113.8°	109.5°
C24	C20	H20	109.4°	109.5°
C20	C24	H24	108.4°	109.5°
C20	C24	H25	108.4°	109.5°
C24	C25	C26	109.7°	110.5°
C24	C25	C29	111.2°	110.5°
C25	C24	H24	108.4°	109.5°
C25	C24	H25	108.4°	109.5°
C24	C25	H26	109.8°	110.4°
C26	C25	C29	106.1°	104.2°
C25	C26	C27	106.7°	101.8°
C26	C25	H26	109.9°	110.5°
C25	C26	H27	110.1°	111.0°
C25	C26	H28	110.2°	111.0°
C25	C29	O30	127.1°	124.9°
C25	C29	N28	107.9°	110.1°
C29	C25	H26	110.2°	110.6°
C26	C27	N28	107.0°	105.5°
C27	C26	H27	110.2°	110.9°
C27	C26	H28	110.2°	111.0°
C26	C27	H29	110.1°	110.3°
C26	C27	H30	110.1°	110.2°
O30	C29	N28	125.0°	125.0°
C29	N28	C27	108.9°	111.4°
C29	N28	H31	125.6°	124.3°
N28	C27	H29	110.1°	110.3°
N28	C27	H30	110.1°	110.3°
C27	N28	H31	125.5°	124.3°
H19	N19	H2	109.4°	111.0°
H21	C21	S1	92.0°	109.4°
H24	C24	H25	109.5°	109.4°
H27	C26	H28	109.5°	110.9°
H29	C27	H30	109.5°	110.3°
C21	S1	O3	90.0°	110.5°
C21	S1	O1	90.0°	110.5°
C21	S1	O2	90.0°	104.4°
O3	S1	O1	90.0°	121.1°
O3	S1	O2	90.0°	104.3°
O1	S1	O2	90.0°	104.3°
S1	O2	H35	90.0°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N19	C20	C21	O22	59.8°	180.0°
N19	C20	C21	C24	117.4°	120.0°
N19	C20	C21	H20	119.9°	120.0°
N19	C20	C24	H20	119.9°	119.9°
N19	C20	C24	C25	74.6°	65.3°
C20	N19	H19	H2	120.0°	124.0°
N19	C20	C21	H21	150.3°	60.0°
N19	C20	C24	H24	46.1°	54.7°
N19	C20	C24	H25	164.8°	174.6°
N19	C20	C21	S1	51.5°	60.0°
O22	C21	C20	H21	149.9°	120.1°
O22	C21	C20	S1	111.3°	120.0°
O22	C21	C20	C24	177.2°	60.1°
O22	C21	C20	H20	60.2°	60.0°
O22	C21	H21	S1	110.2°	120.0°
O22	C21	S1	O3	90.0°	171.6°
O22	C21	S1	O1	90.0°	51.6°
O22	C21	S1	O2	90.0°	60.0°
C21	C20	C24	H20	122.8°	120.1°
C21	C20	C24	C25	168.1°	174.7°
C21	C20	N19	H19	180.0°	66.2°
C20	C21	H21	S1	103.9°	120.0°
C20	C21	O22	H23	180.0°	60.0°
C21	C20	C24	H24	71.2°	65.3°
C21	C20	C24	H25	47.5°	54.6°
C20	C21	S1	O3	90.0°	68.4°
C20	C21	S1	O1	90.0°	68.4°
C20	C21	S1	O2	90.0°	180.0°
C21	C20	N19	H2	60.0°	169.8°
C20	C24	C25	H24	120.6°	120.1°
C20	C24	C25	H25	120.7°	120.0°
C20	C24	C25	C26	58.9°	65.3°
C20	C24	C25	C29	175.9°	179.9°
C24	C20	N19	H19	58.4°	53.8°
C24	C20	C21	H21	32.9°	60.0°
C20	C24	H24	H25	118.0°	120.0°
C20	C24	C25	H26	61.9°	57.2°
C24	C20	C21	S1	65.9°	180.0°
C24	C20	N19	H2	178.3°	70.2°
C24	C25	C26	C29	120.2°	118.7°
C24	C25	C26	H26	120.8°	122.5°
C24	C25	C29	H26	122.0°	122.6°
C24	C25	C26	C27	138.2°	143.5°
C24	C25	C29	O30	50.7°	45.1°
C24	C25	C29	N28	129.0°	134.9°
C25	C24	C20	H20	45.4°	54.6°
C25	C24	H24	H25	118.0°	120.0°
C24	C25	C26	H27	18.6°	25.4°
C24	C25	C26	H28	102.3°	98.4°
C26	C25	C29	H26	118.8°	118.7°
C25	C26	C27	H27	119.5°	118.1°
C25	C26	C27	H28	119.6°	118.2°
C26	C25	C29	O30	169.9°	163.8°
C26	C25	C29	N28	9.8°	16.2°
C25	C26	C27	N28	18.2°	25.4°
C26	C25	C24	H24	179.5°	174.6°
C26	C25	C24	H25	61.8°	54.7°
C25	C26	H27	H28	121.3°	123.8°
C25	C26	C27	H29	137.8°	144.4°
C25	C26	C27	H30	101.4°	93.6°
C29	C25	C26	C27	18.0°	24.8°
C25	C29	O30	N28	179.6°	180.0°
C25	C29	N28	C27	1.0°	0.4°
C29	C25	C24	H24	63.5°	59.8°
C29	C25	C24	H25	55.2°	60.1°
C29	C25	C26	H27	101.6°	93.3°
C29	C25	C26	H28	137.5°	142.9°
C25	C29	N28	H31	179.0°	179.5°
C26	C27	N28	C29	12.8°	17.0°
C26	C27	N28	H29	119.6°	119.0°
C26	C27	N28	H30	119.6°	118.9°
C27	C26	C25	H26	101.1°	94.1°
C27	C26	H27	H28	121.3°	123.8°
C26	C27	H29	H30	121.1°	121.9°
C26	C27	N28	H31	167.2°	163.0°
O30	C29	N28	C27	179.3°	179.6°
O30	C29	C25	H26	71.2°	77.5°
O30	C29	N28	H31	0.7°	0.4°
C29	N28	C27	H31	180.0°	180.0°
N28	C29	C25	H26	109.1°	102.5°
C29	N28	C27	H29	132.4°	136.0°
C29	N28	C27	H30	106.8°	101.9°
N28	C27	C26	H27	101.3°	92.7°
N28	C27	C26	H28	137.8°	143.6°
N28	C27	H29	H30	121.2°	122.0°
H19	N19	C20	H20	60.7°	173.8°
H20	C20	C21	H21	89.7°	180.0°
H20	C20	C24	H24	166.0°	174.6°
H20	C20	C24	H25	75.3°	65.4°
H20	C20	C21	S1	171.5°	60.0°
H20	C20	N19	H2	59.3°	49.8°
H21	C21	O22	H23	31.1°	180.0°
H21	C21	S1	O3	90.0°	51.6°
H21	C21	S1	O1	90.0°	171.6°
H21	C21	S1	O2	90.0°	60.0°
H23	O22	C21	S1	71.8°	60.0°
H24	C24	C25	H26	58.7°	62.8°
H25	C24	C25	H26	177.4°	177.2°
H26	C25	C26	H27	139.4°	147.9°
H26	C25	C26	H28	18.5°	24.1°
H27	C26	C27	H29	18.3°	26.3°
H27	C26	C27	H30	139.1°	148.3°
H28	C26	C27	H29	102.6°	97.4°
H28	C26	C27	H30	18.2°	24.6°
H29	C27	N28	H31	47.6°	43.9°
H30	C27	N28	H31	73.2°	78.1°
C21	S1	O3	O1	90.0°	131.5°
C21	S1	O3	O2	90.0°	111.7°
C21	S1	O1	O2	90.0°	111.7°
C21	S1	O2	H35	90.0°	180.0°
O3	S1	O1	O2	90.0°	116.8°
O3	S1	O2	H35	90.0°	63.9°
O1	S1	O2	H35	90.0°	64.0°

Release date:	2018-04-04
Definition date:	2017-07-31
Last modified:	2018-03-29
Release status:	REL
Processing site:	RCSB
Derived from:	5WKJ