4WX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	C7	trip	0.00Å	1.16Å
C7	FE2	sing	0.00Å	1.76Å
FE2	C5	sing	0.00Å	1.86Å
FE2	C6	sing	0.00Å	1.92Å
FE2	S1	sing	0.00Å	2.35Å
FE2	S2	sing	0.00Å	2.34Å
C5	O5	doub	0.00Å	1.19Å
C5	FE1	sing	0.00Å	2.13Å
C6	N6	trip	0.00Å	1.13Å
S1	FE1	sing	0.00Å	2.38Å
S1	C1	sing	0.00Å	1.87Å
S2	FE1	sing	0.00Å	2.29Å
S2	C2	sing	0.00Å	1.91Å
FE1	C3	sing	0.00Å	1.72Å
FE1	C4	sing	0.00Å	1.84Å
C3	O3	trip	0.00Å	1.20Å
C4	N4	trip	0.00Å	1.22Å
C2	S3	sing	0.00Å	1.53Å
S3	C1	sing	0.00Å	1.52Å
C2	H7	sing	0.00Å	1.10Å
C2	H8	sing	0.00Å	1.10Å
C1	H9	sing	0.00Å	1.10Å
C1	H10	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	C7	FE2	174.2°	90.0°
C7	FE2	C5	89.5°	90.0°
C7	FE2	C6	97.1°	90.0°
C7	FE2	S1	91.0°	90.0°
C7	FE2	S2	177.6°	90.0°
C5	FE2	C6	85.9°	90.0°
C5	FE2	S1	93.9°	90.0°
C5	FE2	S2	92.4°	90.0°
FE2	C5	O5	150.6°	90.0°
FE2	C5	FE1	80.3°	90.0°
C6	FE2	S1	171.9°	90.0°
C6	FE2	S2	84.5°	90.0°
FE2	C6	N6	170.9°	90.0°
S1	FE2	S2	87.3°	90.0°
FE2	S1	FE1	66.0°	90.0°
FE2	S1	C1	100.6°	90.0°
FE2	S2	FE1	67.7°	90.0°
FE2	S2	C2	102.9°	90.0°
O5	C5	FE1	129.1°	90.0°
C5	FE1	S1	86.5°	90.0°
C5	FE1	S2	87.4°	90.0°
C5	FE1	C3	84.1°	90.0°
C5	FE1	C4	84.1°	90.0°
FE1	S1	C1	112.1°	90.0°
S1	FE1	S2	87.9°	90.0°
S1	FE1	C3	170.6°	90.0°
S1	FE1	C4	83.9°	90.0°
S1	C1	S3	126.8°	90.0°
S1	C1	H9	105.0°	90.0°
S1	C1	H10	105.0°	90.0°
FE1	S2	C2	106.9°	90.0°
S2	FE1	C3	90.8°	90.0°
S2	FE1	C4	168.6°	90.0°
S2	C2	S3	121.7°	90.0°
S2	C2	H7	106.4°	90.0°
S2	C2	H8	106.3°	90.0°
C3	FE1	C4	95.9°	90.0°
FE1	C3	O3	167.6°	90.0°
FE1	C4	N4	177.7°	90.0°
C2	S3	C1	97.5°	90.0°
S3	C2	H7	106.4°	90.0°
S3	C2	H8	106.3°	90.0°
S3	C1	H9	104.9°	90.0°
S3	C1	H10	105.0°	90.0°
H7	C2	H8	109.5°	90.0°
H9	C1	H10	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	C7	FE2	C5	69.7°	90.0°
O7	C7	FE2	C6	155.5°	90.0°
O7	C7	FE2	S1	24.2°	90.0°
O7	C7	FE2	S2	71.3°	90.0°
C7	FE2	C5	C6	97.2°	90.0°
C7	FE2	C5	S1	91.0°	90.0°
C7	FE2	C5	S2	178.5°	90.0°
C7	FE2	C6	S1	177.8°	90.0°
C7	FE2	C6	S2	178.2°	90.0°
C7	FE2	S1	S2	178.2°	90.0°
C7	FE2	C5	O5	45.8°	90.0°
C7	FE2	C5	FE1	135.8°	90.0°
C7	FE2	C6	N6	3.7°	90.0°
C7	FE2	S1	FE1	132.3°	90.0°
C7	FE2	S1	C1	118.1°	90.0°
C7	FE2	S2	FE1	98.7°	90.0°
C7	FE2	S2	C2	4.5°	90.0°
C5	FE2	C6	S1	88.8°	90.0°
C5	FE2	C6	S2	92.8°	90.0°
C5	FE2	S1	S2	92.2°	90.0°
FE2	C5	O5	FE1	178.1°	90.0°
C5	FE2	C6	N6	92.7°	90.0°
C5	FE2	S1	FE1	42.7°	90.0°
C5	FE2	S1	C1	152.3°	90.0°
C5	FE2	S2	FE1	42.3°	90.0°
C5	FE2	S2	C2	145.5°	90.0°
FE2	C5	FE1	C3	135.2°	90.0°
FE2	C5	FE1	C4	128.3°	90.0°
C6	FE2	S1	S2	3.9°	90.0°
C6	FE2	C5	O5	51.4°	90.0°
C6	FE2	C5	FE1	127.1°	90.0°
C6	FE2	S1	FE1	45.6°	90.0°
C6	FE2	S1	C1	64.1°	90.0°
C6	FE2	S2	FE1	127.9°	90.0°
C6	FE2	S2	C2	128.8°	90.0°
S1	FE2	C5	O5	136.8°	90.0°
S1	FE2	C6	N6	178.5°	90.0°
FE2	S1	FE1	C1	92.1°	90.0°
S1	FE2	S2	FE1	51.5°	90.0°
S1	FE2	S2	C2	51.7°	90.0°
FE2	S1	FE1	C3	31.4°	90.0°
FE2	S1	FE1	C4	120.8°	90.0°
FE2	S1	C1	S3	8.7°	90.0°
FE2	S1	C1	H9	131.0°	90.0°
FE2	S1	C1	H10	113.6°	90.0°
S2	FE2	C5	O5	135.7°	90.0°
S2	FE2	C6	N6	174.6°	90.0°
S2	FE2	S1	C1	60.1°	90.0°
FE2	S2	FE1	C2	97.4°	90.0°
FE2	S2	FE1	C3	120.2°	90.0°
FE2	S2	FE1	C4	6.0°	90.0°
FE2	S2	C2	S3	11.8°	90.0°
FE2	S2	C2	H7	133.5°	90.0°
FE2	S2	C2	H8	109.9°	90.0°
O5	C5	FE1	S1	137.0°	90.0°
O5	C5	FE1	S2	135.0°	90.0°
O5	C5	FE1	C3	43.9°	90.0°
O5	C5	FE1	C4	52.7°	90.0°
C5	FE1	S1	S2	87.5°	90.0°
C5	FE1	S1	C3	5.0°	90.0°
C5	FE1	S1	C4	84.4°	90.0°
C5	FE1	S1	C1	128.4°	90.0°
C5	FE1	S2	C3	84.1°	90.0°
C5	FE1	S2	C4	42.0°	90.0°
C5	FE1	S2	C2	133.4°	90.0°
C5	FE1	C3	C4	83.4°	90.0°
C5	FE1	C3	O3	163.1°	90.0°
C5	FE1	C4	N4	100.9°	90.0°
S1	FE1	S2	C3	170.7°	90.0°
S1	FE1	S2	C4	44.6°	90.0°
S1	FE1	S2	C2	46.8°	90.0°
S1	FE1	C3	C4	88.5°	90.0°
S1	FE1	C3	O3	158.1°	90.0°
S1	FE1	C4	N4	172.0°	90.0°
FE1	S1	C1	S3	59.5°	90.0°
FE1	S1	C1	H9	62.8°	90.0°
FE1	S1	C1	H10	178.2°	90.0°
C1	S1	FE1	S2	40.9°	90.0°
C1	S1	FE1	C3	123.4°	90.0°
C1	S1	FE1	C4	147.1°	90.0°
S1	C1	S3	C2	64.6°	90.0°
S1	C1	S3	H9	122.3°	90.0°
S1	C1	S3	H10	122.3°	90.0°
S1	C1	H9	H10	112.2°	90.0°
S2	FE1	C3	C4	170.7°	90.0°
S2	FE1	C3	O3	75.8°	90.0°
S2	FE1	C4	N4	143.1°	90.0°
FE1	S2	C2	S3	82.2°	90.0°
FE1	S2	C2	H7	156.1°	90.0°
FE1	S2	C2	H8	39.5°	90.0°
C2	S2	FE1	C3	142.5°	90.0°
C2	S2	FE1	C4	91.4°	90.0°
S2	C2	S3	H7	121.7°	90.0°
S2	C2	S3	H8	121.7°	90.0°
S2	C2	S3	C1	76.8°	90.0°
S2	C2	H7	H8	114.5°	90.0°
C3	FE1	C4	N4	17.4°	90.0°
C4	FE1	C3	O3	113.5°	90.0°
S3	C2	H7	H8	114.5°	90.0°
C2	S3	C1	H9	57.7°	90.0°
C2	S3	C1	H10	173.1°	90.0°
C1	S3	C2	H7	161.4°	90.0°
C1	S3	C2	H8	44.8°	90.0°
S3	C1	H9	H10	112.2°	90.0°

Release date:	2015-11-11
Definition date:	2015-06-15
Last modified:	2020-06-17
Release status:	REL
Processing site:	EBI
Derived from:	5BYS