L4Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	C4	sing	1.53Å	1.52Å
C5	C6	sing	1.51Å	1.51Å
C3	C4	sing	1.53Å	1.51Å
C3	C2	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.50Å
C1	C	sing	1.53Å	1.51Å
C6	C7	doub	1.38Å	1.39Å	Aromatic
C6	C11	sing	1.38Å	1.38Å	Aromatic
C7	C8	sing	1.38Å	1.39Å	Aromatic
C11	C10	doub	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.39Å	Aromatic
C9	S	sing	1.76Å	1.77Å
N	S	sing	1.66Å	1.59Å
O	S	doub	1.42Å	1.43Å
S	O1	doub	1.42Å	1.44Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
N	H9	sing	0.97Å	1.00Å
N	H10	sing	0.97Å	1.00Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C1	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
C3	H18	sing	1.09Å	1.10Å
C3	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C5	C6	113.3°	109.5°
C5	C4	C3	115.6°	109.4°
C5	C4	H1	107.9°	109.5°
C5	C4	H2	107.9°	109.5°
C4	C5	H3	108.5°	109.5°
C4	C5	H4	108.5°	109.5°
C5	C6	C7	121.1°	120.0°
C5	C6	C11	120.5°	120.0°
C6	C5	H3	108.5°	109.4°
C6	C5	H4	108.5°	109.4°
C4	C3	C2	112.1°	109.5°
C3	C4	H1	107.9°	109.5°
C3	C4	H2	107.9°	109.4°
C4	C3	H18	108.8°	109.5°
C4	C3	H19	108.8°	109.5°
C3	C2	C1	115.5°	109.5°
C3	C2	H16	107.9°	109.4°
C3	C2	H17	107.9°	109.5°
C2	C3	H18	108.8°	109.5°
C2	C3	H19	108.8°	109.4°
C2	C1	C	112.5°	109.5°
C2	C1	H14	108.7°	109.5°
C2	C1	H15	108.7°	109.5°
C1	C2	H16	107.9°	109.5°
C1	C2	H17	108.0°	109.5°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.5°	109.5°
C1	C	H13	109.4°	109.5°
C	C1	H14	108.7°	109.5°
C	C1	H15	108.7°	109.4°
C7	C6	C11	118.4°	120.0°
C6	C7	C8	121.3°	120.0°
C6	C7	H5	119.4°	120.0°
C6	C11	C10	121.3°	120.0°
C6	C11	H8	119.4°	120.0°
C7	C8	C9	119.2°	120.0°
C8	C7	H5	119.3°	120.0°
C7	C8	H6	120.4°	120.0°
C11	C10	C9	119.4°	120.0°
C11	C10	H7	120.3°	120.0°
C10	C11	H8	119.4°	120.0°
C10	C9	C8	120.5°	120.0°
C10	C9	S	119.1°	120.0°
C9	C10	H7	120.3°	120.0°
C8	C9	S	120.4°	120.0°
C9	C8	H6	120.4°	120.0°
C9	S	N	108.4°	107.2°
C9	S	O	106.4°	106.4°
C9	S	O1	106.2°	106.4°
N	S	O	108.9°	106.4°
N	S	O1	109.3°	106.4°
S	N	H9	109.5°	120.0°
S	N	H10	109.4°	120.0°
O	S	O1	117.2°	123.1°
H1	C4	H2	109.5°	109.5°
H3	C5	H4	109.5°	109.5°
H9	N	H10	109.5°	120.0°
H11	C	H12	109.5°	109.4°
H11	C	H13	109.5°	109.5°
H12	C	H13	109.5°	109.5°
H14	C1	H15	109.5°	109.5°
H16	C2	H17	109.4°	109.5°
H18	C3	H19	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C5	C6	H3	120.6°	120.0°
C4	C5	C6	H4	120.6°	120.0°
C5	C4	C3	H1	120.9°	120.0°
C5	C4	C3	H2	120.9°	120.0°
C5	C4	C3	C2	178.9°	180.0°
C4	C5	C6	C7	71.6°	90.0°
C4	C5	C6	C11	108.5°	90.2°
C5	C4	H1	H2	117.2°	120.1°
C4	C5	H3	H4	118.3°	120.1°
C5	C4	C3	H18	60.7°	60.0°
C5	C4	C3	H19	58.5°	60.0°
C6	C5	C4	C3	179.9°	180.0°
C5	C6	C7	C11	179.9°	179.8°
C5	C6	C7	C8	179.3°	180.0°
C5	C6	C11	C10	179.0°	179.8°
C6	C5	C4	H1	59.0°	60.0°
C6	C5	C4	H2	59.2°	60.0°
C6	C5	H3	H4	118.2°	119.9°
C5	C6	C7	H5	0.7°	0.0°
C5	C6	C11	H8	1.0°	0.0°
C4	C3	C2	H18	120.4°	120.1°
C4	C3	C2	H19	120.4°	120.0°
C4	C3	C2	C1	174.9°	180.0°
C3	C4	H1	H2	117.2°	120.0°
C3	C4	C5	H3	59.4°	60.0°
C3	C4	C5	H4	59.5°	60.0°
C4	C3	C2	H16	54.1°	60.0°
C4	C3	C2	H17	64.1°	59.9°
C4	C3	H18	H19	118.8°	120.0°
C3	C2	C1	H16	120.9°	119.9°
C3	C2	C1	H17	120.9°	120.1°
C3	C2	C1	C	180.0°	180.0°
C2	C3	C4	H1	58.0°	60.0°
C2	C3	C4	H2	60.2°	60.0°
C3	C2	C1	H14	59.5°	60.0°
C3	C2	C1	H15	59.6°	60.0°
C3	C2	H16	H17	117.2°	120.0°
C2	C3	H18	H19	118.8°	120.0°
C2	C1	C	H14	120.4°	120.0°
C2	C1	C	H15	120.5°	120.0°
C2	C1	C	H11	180.0°	60.0°
C2	C1	C	H12	60.0°	60.0°
C2	C1	C	H13	60.0°	180.0°
C2	C1	H14	H15	118.7°	120.0°
C1	C2	H16	H17	117.2°	120.0°
C1	C2	C3	H18	64.6°	59.9°
C1	C2	C3	H19	54.6°	60.0°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	120.0°
C1	C	H12	H13	120.0°	120.1°
C	C1	H14	H15	118.6°	120.0°
C	C1	C2	H16	59.2°	60.0°
C	C1	C2	H17	59.0°	60.0°
C6	C7	C8	H5	180.0°	180.0°
C7	C6	C11	C10	0.9°	0.4°
C6	C7	C8	C9	0.1°	0.0°
C7	C6	C5	H3	167.8°	30.1°
C7	C6	C5	H4	48.9°	150.0°
C6	C7	C8	H6	179.9°	180.0°
C7	C6	C11	H8	179.1°	179.8°
C11	C6	C7	C8	0.6°	0.2°
C6	C11	C10	H8	180.0°	179.8°
C6	C11	C10	C9	0.5°	0.4°
C11	C6	C5	H3	12.1°	149.7°
C11	C6	C5	H4	130.9°	29.8°
C11	C6	C7	H5	179.4°	179.8°
C6	C11	C10	H7	179.5°	179.7°
C7	C8	C9	C10	0.5°	0.0°
C7	C8	C9	H6	180.0°	180.0°
C7	C8	C9	S	179.3°	180.0°
C11	C10	C9	H7	180.0°	179.9°
C11	C10	C9	C8	0.2°	0.2°
C11	C10	C9	S	179.0°	179.8°
C10	C9	C8	S	178.8°	180.0°
C10	C9	S	N	133.7°	90.0°
C10	C9	S	O	16.6°	23.6°
C10	C9	S	O1	109.0°	156.4°
C10	C9	C8	H6	179.5°	180.0°
C9	C10	C11	H8	179.5°	179.8°
C8	C9	S	N	47.5°	90.0°
C8	C9	S	O	164.5°	156.4°
C8	C9	S	O1	69.9°	23.6°
C9	C8	C7	H5	179.9°	180.0°
C8	C9	C10	H7	179.8°	179.9°
C9	S	N	O	115.4°	113.5°
C9	S	N	O1	115.4°	113.5°
C9	S	O	O1	118.6°	122.9°
S	C9	C8	H6	0.7°	0.0°
S	C9	C10	H7	1.0°	0.1°
C9	S	N	H9	180.0°	0.0°
C9	S	N	H10	60.0°	180.0°
N	S	O	O1	124.7°	123.0°
S	N	H9	H10	120.0°	180.0°
O	S	N	H9	64.6°	113.6°
O	S	N	H10	55.4°	66.5°
O1	S	N	H9	64.6°	113.5°
O1	S	N	H10	175.4°	66.4°
H1	C4	C5	H3	61.5°	59.9°
H1	C4	C5	H4	179.6°	180.0°
H1	C4	C3	H18	178.4°	180.0°
H1	C4	C3	H19	62.4°	60.0°
H2	C4	C5	H3	179.7°	180.0°
H2	C4	C5	H4	61.4°	59.9°
H2	C4	C3	H18	60.2°	60.0°
H2	C4	C3	H19	179.4°	180.0°
H5	C7	C8	H6	0.1°	0.0°
H7	C10	C11	H8	0.5°	0.1°
H11	C	H12	H13	120.0°	120.0°
H11	C	C1	H14	59.6°	60.1°
H11	C	C1	H15	59.5°	180.0°
H12	C	C1	H14	179.6°	180.0°
H12	C	C1	H15	60.5°	60.1°
H13	C	C1	H14	60.5°	59.9°
H13	C	C1	H15	179.6°	60.0°
H14	C1	C2	H16	179.6°	180.0°
H14	C1	C2	H17	61.4°	60.0°
H15	C1	C2	H16	61.3°	60.0°
H15	C1	C2	H17	179.5°	180.0°
H16	C2	C3	H18	174.5°	60.0°
H16	C2	C3	H19	66.3°	180.0°
H17	C2	C3	H18	56.3°	180.0°
H17	C2	C3	H19	175.5°	60.0°

Release date:	2020-08-26
Definition date:	2019-07-21
Last modified:	2020-08-21
Release status:	REL
Processing site:	EBI
Derived from:	6SBL