6FR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	S	doub	1.42Å	1.45Å
C10	C9	sing	1.54Å	1.47Å
C10	N	sing	1.47Å	1.49Å
C9	C8	sing	1.55Å	1.48Å
N	S	sing	1.66Å	1.50Å
N	C7	sing	1.47Å	1.52Å
S	O1	doub	1.42Å	1.47Å
S	C6	sing	1.81Å	1.67Å
C8	C7	sing	1.55Å	1.51Å
C5	C6	sing	1.53Å	1.60Å
C5	C1	sing	1.53Å	1.50Å
C	C1	sing	1.55Å	1.53Å
C	C4	sing	1.55Å	1.48Å
C1	C2	sing	1.54Å	1.49Å
C4	C3	sing	1.55Å	1.49Å
C2	C3	sing	1.54Å	1.49Å
C3	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å
C4	H18	sing	1.09Å	1.10Å
C4	H19	sing	1.09Å	1.10Å
C	H20	sing	1.09Å	1.10Å
C	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	S	N	108.4°	104.3°
O	S	O1	116.4°	121.0°
O	S	C6	107.1°	110.5°
C9	C10	N	107.0°	107.3°
C10	C9	C8	109.2°	103.0°
C10	C9	H9	109.5°	110.7°
C10	C9	H10	109.5°	110.9°
C9	C10	H11	110.1°	109.9°
C9	C10	H12	110.1°	109.9°
C10	N	S	125.2°	125.8°
C10	N	C7	108.3°	108.6°
N	C10	H11	110.1°	109.8°
N	C10	H12	110.1°	109.9°
C9	C8	C7	107.5°	101.6°
C9	C8	H7	110.0°	111.0°
C9	C8	H8	110.0°	111.0°
C8	C9	H9	109.6°	110.7°
C8	C9	H10	109.5°	110.8°
S	N	C7	126.3°	125.6°
N	S	O1	111.9°	104.3°
N	S	C6	105.7°	104.5°
N	C7	C8	105.7°	104.9°
N	C7	H5	110.4°	110.4°
N	C7	H6	110.4°	110.4°
O1	S	C6	106.7°	110.5°
S	C6	C5	98.3°	109.5°
S	C6	H13	112.2°	109.4°
S	C6	H14	112.2°	109.5°
C8	C7	H5	110.4°	110.4°
C8	C7	H6	110.4°	110.3°
C7	C8	H7	109.9°	111.0°
C7	C8	H8	110.0°	111.0°
C6	C5	C1	114.2°	109.5°
C6	C5	H3	108.2°	109.5°
C6	C5	H4	108.3°	109.4°
C5	C6	H13	112.2°	109.5°
C5	C6	H14	112.2°	109.5°
C5	C1	C	116.6°	110.2°
C5	C1	C2	109.4°	110.0°
C1	C5	H3	108.3°	109.5°
C1	C5	H4	108.3°	109.5°
C5	C1	H15	108.2°	110.0°
C1	C	C4	108.6°	104.1°
C	C1	C2	106.3°	106.5°
C	C1	H15	107.8°	110.1°
C1	C	H20	109.7°	110.5°
C1	C	H21	109.7°	110.4°
C	C4	C3	104.4°	102.8°
C	C4	H18	110.7°	110.7°
C	C4	H19	110.7°	111.0°
C4	C	H20	109.7°	110.6°
C4	C	H21	109.7°	110.5°
C1	C2	C3	104.5°	106.6°
C2	C1	H15	108.3°	110.0°
C1	C2	H16	110.7°	110.0°
C1	C2	H17	110.7°	110.0°
C4	C3	C2	108.7°	104.3°
C4	C3	H1	109.7°	110.5°
C4	C3	H2	109.7°	110.5°
C3	C4	H18	110.7°	110.8°
C3	C4	H19	110.7°	110.8°
C2	C3	H1	109.6°	110.5°
C2	C3	H2	109.6°	110.5°
C3	C2	H16	110.7°	110.0°
C3	C2	H17	110.7°	110.1°
H1	C3	H2	109.5°	110.5°
H3	C5	H4	109.5°	109.5°
H5	C7	H6	109.5°	110.3°
H7	C8	H8	109.5°	110.9°
H9	C9	H10	109.5°	110.6°
H11	C10	H12	109.5°	110.0°
H13	C6	H14	109.4°	109.5°
H16	C2	H17	109.5°	110.1°
H18	C4	H19	109.5°	110.6°
H20	C	H21	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	S	N	C10	17.8°	154.0°
O	S	N	O1	129.6°	127.9°
O	S	N	C6	114.6°	116.1°
O	S	N	C7	166.8°	26.0°
O	S	O1	C6	119.5°	131.4°
O	S	C6	C5	48.8°	68.4°
O	S	C6	H13	167.0°	171.6°
O	S	C6	H14	69.3°	51.7°
C9	C10	N	H11	119.6°	119.4°
C9	C10	N	H12	119.6°	119.4°
C10	C9	C8	H9	120.0°	118.4°
C10	C9	C8	H10	119.9°	118.6°
C9	C10	N	S	168.0°	178.9°
C9	C10	N	C7	8.1°	1.1°
C10	C9	C8	C7	15.4°	35.5°
C10	C9	C8	H7	104.3°	82.6°
C10	C9	C8	H8	135.1°	153.6°
C10	C9	H9	H10	120.1°	123.3°
C9	C10	H11	H12	121.1°	121.1°
N	C10	C9	C8	14.6°	22.2°
C10	N	S	C7	175.4°	180.0°
C10	N	S	O1	147.4°	26.1°
C10	N	S	C6	96.8°	89.9°
C10	N	C7	C8	1.1°	24.2°
C10	N	C7	H5	118.3°	94.7°
C10	N	C7	H6	120.5°	143.1°
N	C10	C9	H9	134.6°	140.5°
N	C10	C9	H10	105.4°	96.3°
N	C10	H11	H12	121.1°	121.1°
C9	C8	C7	N	9.9°	37.1°
C9	C8	C7	H7	119.7°	118.1°
C9	C8	C7	H8	119.7°	118.1°
C9	C8	C7	H5	109.6°	81.8°
C9	C8	C7	H6	129.3°	156.0°
C9	C8	H7	H8	120.9°	123.9°
C8	C9	H9	H10	120.1°	123.2°
C8	C9	C10	H11	134.2°	97.2°
C8	C9	C10	H12	105.0°	141.6°
N	S	O1	C6	115.2°	111.8°
S	N	C7	C8	177.1°	155.8°
N	S	C6	C5	164.3°	180.0°
S	N	C7	H5	57.7°	85.3°
S	N	C7	H6	63.5°	36.9°
S	N	C10	H11	48.3°	59.5°
S	N	C10	H12	72.4°	61.7°
N	S	C6	H13	77.5°	59.9°
N	S	C6	H14	46.1°	60.0°
C7	N	S	O1	37.2°	153.9°
C7	N	S	C6	78.6°	90.0°
N	C7	C8	H5	119.4°	118.9°
N	C7	C8	H6	119.4°	118.9°
N	C7	H5	H6	121.7°	122.3°
N	C7	C8	H7	109.8°	81.0°
N	C7	C8	H8	129.5°	155.2°
C7	N	C10	H11	127.8°	120.5°
C7	N	C10	H12	111.5°	118.3°
O1	S	C6	C5	76.4°	68.3°
O1	S	C6	H13	41.7°	51.7°
O1	S	C6	H14	165.4°	171.6°
S	C6	C5	H13	118.2°	120.0°
S	C6	C5	H14	118.2°	120.0°
S	C6	C5	C1	172.1°	180.0°
S	C6	C5	H3	51.4°	60.0°
S	C6	C5	H4	67.2°	60.0°
S	C6	H13	H14	125.2°	119.9°
C8	C7	H5	H6	121.7°	122.2°
C7	C8	H7	H8	120.9°	123.9°
C7	C8	C9	H9	135.3°	153.9°
C7	C8	C9	H10	104.6°	83.0°
C6	C5	C1	H3	120.7°	120.0°
C6	C5	C1	H4	120.7°	120.0°
C6	C5	C1	C	167.1°	67.9°
C6	C5	C1	C2	72.4°	175.0°
C6	C5	H3	H4	117.8°	120.0°
C5	C6	H13	H14	125.2°	120.0°
C6	C5	C1	H15	45.4°	53.7°
C5	C1	C	C2	122.2°	119.3°
C5	C1	C	H15	121.8°	121.5°
C5	C1	C	C4	113.7°	142.8°
C5	C1	C2	H15	117.7°	121.3°
C5	C1	C2	C3	104.4°	119.3°
C1	C5	H3	H4	117.8°	120.0°
C1	C5	C6	H13	69.7°	60.0°
C1	C5	C6	H14	54.0°	60.0°
C5	C1	C2	H16	14.8°	121.4°
C5	C1	C2	H17	136.4°	0.0°
C5	C1	C	H20	126.5°	98.4°
C5	C1	C	H21	6.2°	24.2°
C1	C	C4	H20	119.9°	118.7°
C1	C	C4	H21	119.9°	118.6°
C	C1	C2	H15	115.6°	119.3°
C1	C	C4	C3	8.7°	37.9°
C	C1	C2	C3	22.2°	0.1°
C	C1	C5	H3	46.4°	52.1°
C	C1	C5	H4	72.2°	172.1°
C	C1	C2	H16	141.4°	119.2°
C	C1	C2	H17	97.0°	119.4°
C1	C	C4	H18	110.4°	156.2°
C1	C	C4	H19	127.9°	80.5°
C1	C	H20	H21	120.4°	122.5°
C4	C	C1	C2	8.5°	23.5°
C	C4	C3	H18	119.2°	118.3°
C	C4	C3	H19	119.2°	118.6°
C	C4	C3	C2	23.2°	38.0°
C	C4	C3	H1	143.1°	80.7°
C	C4	C3	H2	96.6°	156.8°
C4	C	C1	H15	124.5°	95.7°
C	C4	H18	H19	122.4°	123.4°
C4	C	H20	H21	120.4°	122.7°
C1	C2	C3	C4	28.7°	23.7°
C1	C2	C3	H16	119.2°	119.3°
C1	C2	C3	H17	119.2°	119.3°
C1	C2	C3	H1	148.6°	95.1°
C1	C2	C3	H2	91.2°	142.4°
C2	C1	C5	H3	166.9°	65.0°
C2	C1	C5	H4	48.3°	55.0°
C1	C2	H16	H17	122.4°	121.4°
C2	C1	C	H20	111.4°	142.3°
C2	C1	C	H21	128.3°	95.1°
C4	C3	C2	H1	119.9°	118.7°
C4	C3	C2	H2	119.9°	118.7°
C4	C3	H1	H2	120.4°	122.5°
C4	C3	C2	H16	147.9°	95.6°
C4	C3	C2	H17	90.5°	143.0°
C3	C4	H18	H19	122.4°	123.2°
C3	C4	C	H20	128.6°	156.6°
C3	C4	C	H21	111.1°	80.7°
C2	C3	H1	H2	120.3°	122.6°
C3	C2	C1	H15	137.8°	119.4°
C3	C2	H16	H17	122.3°	121.5°
C2	C3	C4	H18	96.0°	156.3°
C2	C3	C4	H19	142.4°	80.6°
H1	C3	C2	H16	92.2°	145.7°
H1	C3	C2	H17	29.4°	24.2°
H1	C3	C4	H18	23.9°	37.6°
H1	C3	C4	H19	97.7°	160.7°
H2	C3	C2	H16	28.0°	23.1°
H2	C3	C2	H17	149.6°	98.3°
H2	C3	C4	H18	144.2°	84.9°
H2	C3	C4	H19	22.6°	38.2°
H3	C5	C6	H13	169.6°	60.0°
H3	C5	C6	H14	66.7°	180.0°
H3	C5	C1	H15	75.3°	173.7°
H4	C5	C6	H13	51.0°	180.0°
H4	C5	C6	H14	174.7°	60.0°
H4	C5	C1	H15	166.1°	66.3°
H5	C7	C8	H7	130.7°	160.1°
H5	C7	C8	H8	10.1°	36.3°
H6	C7	C8	H7	9.6°	37.9°
H6	C7	C8	H8	111.1°	85.9°
H7	C8	C9	H9	15.7°	35.8°
H7	C8	C9	H10	135.8°	158.9°
H8	C8	C9	H9	105.0°	88.1°
H8	C8	C9	H10	15.1°	35.0°
H9	C9	C10	H11	105.8°	21.1°
H9	C9	C10	H12	15.0°	100.1°
H10	C9	C10	H11	14.3°	144.3°
H10	C9	C10	H12	135.1°	23.1°
H15	C1	C2	H16	103.0°	0.1°
H15	C1	C2	H17	18.6°	121.3°
H15	C1	C	H20	4.6°	23.1°
H15	C1	C	H21	115.7°	145.6°
H18	C4	C	H20	9.4°	85.1°
H18	C4	C	H21	129.7°	37.6°
H19	C4	C	H20	112.2°	38.1°
H19	C4	C	H21	8.1°	160.8°

Release date:	2017-03-29
Definition date:	2016-03-31
Last modified:	2017-03-24
Release status:	REL
Processing site:	EBI
Derived from:	5J3L