DV1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.43Å
C1	C2	sing	1.52Å	1.52Å
C1	C3	sing	1.52Å	1.52Å
C2	O2	sing	1.43Å	1.43Å
C2	C5	sing	1.53Å	1.51Å
C3	C4	sing	1.52Å	1.53Å
C3	N1	sing	1.46Å	1.48Å
C4	O3	sing	1.40Å	1.44Å
C4	S1	sing	1.82Å	1.78Å
O3	C5	sing	1.42Å	1.43Å
C5	C6	sing	1.53Å	1.53Å
C6	O4	sing	1.43Å	1.43Å
N1	C7	doub	1.29Å	1.27Å
C7	S1	sing	1.77Å	1.67Å
C7	N2	sing	1.38Å	1.33Å
N2	C8	sing	1.46Å	1.44Å
C8	C9	sing	1.51Å	1.52Å
C9	C10	doub	1.31Å	1.32Å
O1	H1	sing	0.97Å	0.95Å
C1	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
O2	H4	sing	0.97Å	0.95Å
C3	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
O4	H10	sing	0.97Å	0.95Å
N2	H11	sing	0.97Å	1.00Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.08Å	1.08Å
C10	H15	sing	1.08Å	1.08Å
C10	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	109.9°	109.0°
O1	C1	C3	110.1°	108.9°
C1	O1	H1	109.5°	114.0°
O1	C1	H2	109.5°	108.9°
C2	C1	C3	110.7°	112.1°
C1	C2	O2	109.1°	109.7°
C1	C2	C5	108.4°	108.1°
C2	C1	H2	108.3°	109.0°
C1	C2	H3	109.4°	109.7°
C1	C3	C4	111.7°	114.3°
C1	C3	N1	107.2°	108.9°
C3	C1	H2	108.3°	108.9°
C1	C3	H5	111.0°	108.3°
O2	C2	C5	109.6°	109.8°
O2	C2	H3	110.7°	109.7°
C2	O2	H4	109.5°	114.0°
C2	C5	O3	109.4°	107.7°
C2	C5	C6	110.0°	109.8°
C5	C2	H3	109.6°	109.8°
C2	C5	H7	108.9°	109.8°
C4	C3	N1	104.0°	109.2°
C3	C4	O3	114.1°	117.9°
C3	C4	S1	103.2°	102.1°
C4	C3	H5	110.9°	108.3°
C3	C4	H6	108.5°	108.4°
C3	N1	C7	116.0°	119.0°
N1	C3	H5	111.7°	107.6°
O3	C4	S1	115.0°	111.8°
C4	O3	C5	116.1°	118.4°
O3	C4	H6	109.7°	108.5°
C4	S1	C7	93.1°	93.9°
S1	C4	H6	105.8°	107.6°
O3	C5	C6	110.0°	109.8°
O3	C5	H7	110.0°	109.8°
C5	C6	O4	109.4°	109.5°
C6	C5	H7	108.6°	109.9°
C5	C6	H8	109.5°	109.5°
C5	C6	H9	109.5°	109.5°
O4	C6	H8	109.5°	109.5°
O4	C6	H9	109.5°	109.5°
C6	O4	H10	109.5°	114.0°
N1	C7	S1	113.2°	109.0°
N1	C7	N2	123.7°	125.5°
S1	C7	N2	123.1°	125.5°
C7	N2	C8	122.1°	120.0°
C7	N2	H11	118.9°	120.0°
N2	C8	C9	109.4°	109.5°
C8	N2	H11	119.0°	120.0°
N2	C8	H12	109.5°	109.5°
N2	C8	H13	109.5°	109.5°
C8	C9	C10	121.1°	120.0°
C9	C8	H12	109.5°	109.5°
C9	C8	H13	109.5°	109.5°
C8	C9	H14	119.4°	120.0°
C10	C9	H14	119.4°	120.0°
C9	C10	H15	120.0°	120.0°
C9	C10	H16	120.0°	120.0°
H8	C6	H9	109.4°	109.4°
H12	C8	H13	109.4°	109.4°
H15	C10	H16	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C3	121.8°	120.7°
O1	C1	C2	H2	119.6°	118.7°
O1	C1	C3	H2	119.7°	118.6°
O1	C1	C2	O2	59.4°	63.3°
O1	C1	C2	C5	178.8°	177.0°
O1	C1	C3	C4	170.8°	157.4°
O1	C1	C3	N1	75.9°	80.2°
O1	C1	C2	H3	61.8°	57.4°
O1	C1	C3	H5	46.4°	36.6°
C2	C1	C3	H2	118.5°	120.7°
C1	C2	O2	C5	118.6°	118.7°
C1	C2	O2	H3	120.4°	120.6°
C1	C2	C5	H3	119.3°	119.7°
C2	C1	C3	C4	49.1°	36.7°
C2	C1	C3	N1	162.4°	159.1°
C1	C2	C5	O3	62.4°	64.5°
C1	C2	C5	C6	176.8°	175.9°
C2	C1	O1	H1	180.0°	60.0°
C1	C2	O2	H4	180.0°	180.0°
C2	C1	C3	H5	75.3°	84.1°
C1	C2	C5	H7	57.9°	55.0°
C3	C1	C2	O2	178.8°	176.1°
C3	C1	C2	C5	59.4°	56.4°
C1	C3	C4	N1	115.3°	122.2°
C1	C3	C4	H5	124.5°	120.9°
C1	C3	N1	H5	121.8°	117.3°
C1	C3	C4	O3	42.2°	25.7°
C1	C3	C4	S1	83.2°	97.2°
C1	C3	N1	C7	90.2°	108.8°
C3	C1	O1	H1	57.8°	177.4°
C3	C1	C2	H3	60.0°	63.3°
C1	C3	C4	H6	164.8°	149.4°
O2	C2	C5	H3	121.7°	120.7°
O2	C2	C5	O3	178.7°	175.8°
O2	C2	C5	C6	57.8°	56.3°
O2	C2	C1	H2	60.2°	55.5°
O2	C2	C5	H7	61.1°	64.6°
C2	C5	O3	C4	57.8°	56.2°
C2	C5	O3	C6	120.9°	119.5°
C2	C5	O3	H7	119.6°	119.5°
C2	C5	C6	H7	119.1°	120.8°
C2	C5	C6	O4	61.2°	175.0°
C5	C2	C1	H2	59.1°	64.2°
C5	C2	O2	H4	61.5°	61.3°
C2	C5	C6	H8	178.8°	55.0°
C2	C5	C6	H9	58.8°	65.0°
C4	C3	N1	H5	119.7°	117.3°
C3	C4	O3	S1	119.0°	117.8°
C3	C4	O3	H6	121.9°	123.7°
C3	C4	S1	H6	113.9°	114.1°
C3	C4	O3	C5	47.7°	37.1°
C4	C3	N1	C7	28.2°	16.6°
C3	C4	S1	C7	25.4°	23.1°
C4	C3	C1	H2	69.4°	84.0°
N1	C3	C4	O3	157.5°	148.0°
N1	C3	C4	S1	32.1°	25.1°
C3	N1	C7	S1	9.2°	2.1°
C3	N1	C7	N2	171.6°	177.9°
N1	C3	C1	H2	43.9°	38.4°
N1	C3	C4	H6	79.9°	88.4°
O3	C4	S1	H6	121.2°	119.0°
C4	O3	C5	C6	178.6°	175.7°
O3	C4	S1	C7	150.4°	150.0°
O3	C4	C3	H5	82.2°	95.2°
C4	O3	C5	H7	61.9°	63.3°
S1	C4	O3	C5	71.2°	80.7°
C4	S1	C7	N1	10.9°	15.8°
C4	S1	C7	N2	168.3°	164.2°
S1	C4	C3	H5	152.3°	142.0°
O3	C5	C6	H7	120.4°	120.9°
O3	C5	C6	O4	59.3°	66.7°
O3	C5	C2	H3	57.0°	55.1°
C5	O3	C4	H6	169.7°	160.8°
O3	C5	C6	H8	60.7°	173.2°
O3	C5	C6	H9	179.3°	53.3°
C5	C6	O4	H8	120.0°	120.0°
C5	C6	O4	H9	120.0°	120.0°
C6	C5	C2	H3	63.9°	64.4°
C5	C6	H8	H9	120.0°	120.0°
C5	C6	O4	H10	180.0°	180.0°
O4	C6	C5	H7	179.7°	54.2°
O4	C6	H8	H9	120.0°	120.0°
N1	C7	S1	N2	179.2°	180.0°
N1	C7	N2	C8	176.5°	180.0°
C7	N1	C3	H5	147.9°	133.9°
N1	C7	N2	H11	3.5°	0.1°
S1	C7	N2	C8	2.6°	0.0°
C7	S1	C4	H6	88.4°	91.0°
S1	C7	N2	H11	177.4°	180.0°
C7	N2	C8	H11	180.0°	179.9°
C7	N2	C8	C9	162.6°	180.0°
C7	N2	C8	H12	77.4°	60.0°
C7	N2	C8	H13	42.6°	60.0°
N2	C8	C9	H12	120.0°	120.0°
N2	C8	C9	H13	120.0°	120.1°
N2	C8	C9	C10	159.7°	125.0°
N2	C8	H12	H13	120.0°	120.0°
N2	C8	C9	H14	20.3°	55.0°
C8	C9	C10	H14	180.0°	180.0°
C9	C8	N2	H11	17.4°	0.0°
C9	C8	H12	H13	120.0°	120.0°
C8	C9	C10	H15	180.0°	0.0°
C8	C9	C10	H16	0.0°	180.0°
C10	C9	C8	H12	39.7°	5.0°
C10	C9	C8	H13	80.2°	115.0°
C9	C10	H15	H16	180.0°	180.0°
H1	O1	C1	H2	61.2°	58.8°
H2	C1	C2	H3	178.6°	176.1°
H2	C1	C3	H5	166.1°	155.2°
H3	C2	O2	H4	59.6°	59.4°
H3	C2	C5	H7	177.2°	174.7°
H5	C3	C4	H6	40.4°	28.5°
H7	C5	C6	H8	59.7°	65.9°
H7	C5	C6	H9	60.3°	174.2°
H8	C6	O4	H10	60.0°	60.0°
H9	C6	O4	H10	60.0°	60.0°
H11	N2	C8	H12	102.6°	120.0°
H11	N2	C8	H13	137.4°	120.1°
H12	C8	C9	H14	140.3°	175.0°
H13	C8	C9	H14	99.8°	65.1°
H14	C9	C10	H15	0.0°	180.0°
H14	C9	C10	H16	180.0°	0.0°

Release date:	2016-08-31
Definition date:	2015-10-21
Last modified:	2021-03-01
Release status:	REL
Processing site:	EBI
Derived from:	5FL1