A7Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	sing	1.43Å	1.43Å
C	C1	sing	1.51Å	1.50Å
C1	C11	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.39Å	1.38Å	Aromatic
C11	N	sing	1.32Å	1.34Å	Aromatic
C2	C3	doub	1.38Å	1.36Å	Aromatic
N	C4	doub	1.32Å	1.32Å	Aromatic
C3	C4	sing	1.39Å	1.38Å	Aromatic
C4	O1	sing	1.36Å	1.37Å
O1	C5	sing	1.36Å	1.42Å
C10	C5	doub	1.39Å	1.38Å	Aromatic
C10	C9	sing	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.39Å	1.38Å	Aromatic
C9	C8	doub	1.38Å	1.38Å	Aromatic
C6	C7	doub	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.38Å	1.38Å	Aromatic
C11	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C9	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.08Å	1.08Å
C2	H8	sing	1.08Å	1.08Å
O	H9	sing	0.97Å	0.95Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C1	111.5°	109.5°
C	O	H9	109.5°	114.0°
O	C	H10	108.9°	109.4°
O	C	H11	109.0°	109.5°
C	C1	C11	121.7°	120.3°
C	C1	C2	121.1°	120.4°
C1	C	H10	109.0°	109.4°
C1	C	H11	108.9°	109.5°
C11	C1	C2	117.1°	119.3°
C1	C11	N	123.1°	120.9°
C1	C11	H1	118.5°	119.6°
C1	C2	C3	120.3°	118.5°
C1	C2	H8	119.8°	120.7°
C11	N	C4	117.9°	121.6°
N	C11	H1	118.5°	119.5°
C2	C3	C4	118.2°	119.1°
C2	C3	H7	120.9°	120.4°
C3	C2	H8	119.9°	120.8°
N	C4	C3	123.4°	120.6°
N	C4	O1	119.6°	119.7°
C3	C4	O1	117.0°	119.7°
C4	C3	H7	120.9°	120.5°
C4	O1	C5	122.7°	118.0°
O1	C5	C10	119.2°	120.1°
O1	C5	C6	119.9°	120.0°
C5	C10	C9	119.4°	119.9°
C10	C5	C6	120.8°	119.9°
C5	C10	H2	120.3°	120.0°
C10	C9	C8	120.1°	120.1°
C9	C10	H2	120.3°	120.1°
C10	C9	H3	120.0°	120.0°
C5	C6	C7	119.5°	119.9°
C5	C6	H6	120.2°	120.0°
C9	C8	C7	120.1°	120.1°
C8	C9	H3	119.9°	120.0°
C9	C8	H4	120.0°	119.9°
C6	C7	C8	120.0°	120.0°
C6	C7	H5	120.0°	120.0°
C7	C6	H6	120.3°	120.0°
C7	C8	H4	119.9°	119.9°
C8	C7	H5	120.0°	120.0°
H10	C	H11	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C1	H10	120.3°	119.9°
O	C	C1	H11	120.3°	120.0°
O	C	C1	C11	98.6°	90.0°
O	C	C1	C2	81.1°	90.0°
O	C	H10	H11	119.1°	120.0°
C	C1	C11	C2	179.6°	180.0°
C	C1	C11	N	179.8°	179.9°
C	C1	C2	C3	179.6°	179.5°
C	C1	C11	H1	0.3°	0.3°
C	C1	C2	H8	0.4°	0.2°
C1	C	O	H9	180.0°	180.0°
C1	C	H10	H11	119.1°	120.0°
C1	C11	N	H1	180.0°	179.8°
C11	C1	C2	C3	0.0°	0.6°
C1	C11	N	C4	0.4°	0.2°
C11	C1	C2	H8	180.0°	179.8°
C11	C1	C	H10	21.7°	150.1°
C11	C1	C	H11	141.1°	30.0°
C2	C1	C11	N	0.1°	0.1°
C1	C2	C3	H8	180.0°	179.2°
C1	C2	C3	C4	0.1°	0.8°
C2	C1	C11	H1	179.9°	179.7°
C1	C2	C3	H7	179.9°	179.7°
C2	C1	C	H10	158.7°	29.9°
C2	C1	C	H11	39.2°	150.0°
C11	N	C4	C3	0.5°	0.1°
C11	N	C4	O1	179.2°	180.0°
C2	C3	C4	N	0.4°	0.6°
C2	C3	C4	H7	180.0°	179.5°
C2	C3	C4	O1	179.1°	179.5°
N	C4	C3	O1	178.7°	179.9°
N	C4	O1	C5	3.5°	4.9°
C4	N	C11	H1	179.6°	179.9°
N	C4	C3	H7	179.6°	179.9°
C3	C4	O1	C5	177.8°	175.2°
C4	C3	C2	H8	179.9°	180.0°
C4	O1	C5	C10	104.7°	76.9°
C4	O1	C5	C6	76.8°	103.1°
O1	C4	C3	H7	0.9°	0.0°
O1	C5	C10	C6	178.4°	180.0°
O1	C5	C10	C9	179.2°	180.0°
O1	C5	C6	C7	179.2°	180.0°
O1	C5	C10	H2	0.8°	0.2°
O1	C5	C6	H6	0.8°	0.0°
C5	C10	C9	H2	180.0°	179.8°
C5	C10	C9	C8	0.4°	0.0°
C10	C5	C6	C7	0.8°	0.0°
C5	C10	C9	H3	179.6°	180.0°
C10	C5	C6	H6	179.2°	180.0°
C9	C10	C5	C6	0.8°	0.0°
C10	C9	C8	H3	180.0°	180.0°
C10	C9	C8	C7	0.1°	0.0°
C10	C9	C8	H4	179.9°	180.0°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.6°	0.0°
C6	C5	C10	H2	179.3°	179.8°
C5	C6	C7	H5	179.4°	180.0°
C9	C8	C7	C6	0.2°	0.0°
C9	C8	C7	H4	180.0°	180.0°
C8	C9	C10	H2	179.6°	179.8°
C9	C8	C7	H5	179.8°	180.0°
C6	C7	C8	H5	180.0°	180.0°
C6	C7	C8	H4	179.8°	180.0°
C7	C8	C9	H3	179.9°	180.0°
C8	C7	C6	H6	179.4°	180.0°
H2	C10	C9	H3	0.4°	0.3°
H3	C9	C8	H4	0.1°	0.0°
H4	C8	C7	H5	0.2°	0.0°
H5	C7	C6	H6	0.6°	0.1°
H7	C3	C2	H8	0.1°	0.5°
H9	O	C	H10	59.7°	60.1°
H9	O	C	H11	59.7°	60.0°

Release date:	2017-11-01
Definition date:	2017-08-16
Last modified:	2017-10-27
Release status:	REL
Processing site:	RCSB
Derived from:	5OS6