57Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C17	doub	1.21Å	1.22Å
O2	C17	sing	1.34Å	1.31Å
C17	C16	sing	1.51Å	1.52Å
C6	C5	doub	1.38Å	1.41Å	Aromatic
C6	C1	sing	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.53Å	1.56Å
C5	C4	sing	1.40Å	1.40Å	Aromatic
C1	C2	doub	1.38Å	1.35Å	Aromatic
C15	N	sing	1.47Å	1.48Å
C2	C3	sing	1.38Å	1.41Å	Aromatic
C4	C3	doub	1.39Å	1.33Å	Aromatic
C4	C7	sing	1.48Å	1.40Å
N	C7	sing	1.38Å	1.33Å	Aromatic
N	C14	sing	1.38Å	1.37Å	Aromatic
C7	C8	doub	1.36Å	1.40Å	Aromatic
C13	C14	doub	1.39Å	1.40Å	Aromatic
C13	C12	sing	1.38Å	1.42Å	Aromatic
C14	C9	sing	1.41Å	1.40Å	Aromatic
C8	C9	sing	1.46Å	1.42Å	Aromatic
C12	C11	doub	1.39Å	1.38Å	Aromatic
C9	C10	doub	1.40Å	1.37Å	Aromatic
C11	C10	sing	1.37Å	1.38Å	Aromatic
O2	H1	sing	0.97Å	0.95Å
C16	H2	sing	1.09Å	1.10Å
C16	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.08Å	1.08Å
C2	H12	sing	1.08Å	1.08Å
C5	H13	sing	1.08Å	1.08Å
C6	H14	sing	1.08Å	1.08Å
C1	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C17	O2	118.6°	120.0°
O1	C17	C16	121.8°	120.0°
O2	C17	C16	119.7°	120.0°
C17	O2	H1	109.5°	117.0°
C17	C16	C15	111.1°	109.5°
C17	C16	H2	109.0°	109.5°
C17	C16	H3	109.0°	109.4°
C5	C6	C1	121.5°	120.2°
C6	C5	C4	121.8°	119.8°
C6	C5	H13	119.1°	120.1°
C5	C6	H14	119.2°	119.9°
C6	C1	C2	113.7°	120.3°
C1	C6	H14	119.2°	119.9°
C6	C1	H15	123.1°	119.9°
C16	C15	N	103.8°	109.5°
C15	C16	H2	109.1°	109.5°
C15	C16	H3	109.1°	109.5°
C16	C15	H4	110.9°	109.4°
C16	C15	H5	110.9°	109.5°
C5	C4	C3	115.8°	119.7°
C5	C4	C7	125.2°	120.1°
C4	C5	H13	119.1°	120.1°
C1	C2	C3	125.5°	120.1°
C1	C2	H12	117.2°	120.0°
C2	C1	H15	123.2°	119.8°
C15	N	C7	121.3°	125.1°
C15	N	C14	126.7°	125.1°
N	C15	H4	110.9°	109.5°
N	C15	H5	110.9°	109.4°
C2	C3	C4	121.2°	119.9°
C2	C3	H11	119.4°	120.1°
C3	C2	H12	117.3°	119.9°
C3	C4	C7	119.0°	120.2°
C4	C3	H11	119.4°	120.1°
C4	C7	N	122.4°	125.2°
C4	C7	C8	127.4°	125.2°
C7	N	C14	111.9°	109.8°
N	C7	C8	110.1°	109.6°
N	C14	C13	133.5°	133.3°
N	C14	C9	103.9°	107.4°
C7	C8	C9	102.9°	107.0°
C7	C8	H10	128.6°	126.5°
C14	C13	C12	115.6°	119.8°
C13	C14	C9	122.6°	119.3°
C14	C13	H6	122.2°	120.1°
C13	C12	C11	119.8°	120.7°
C12	C13	H6	122.2°	120.1°
C13	C12	H7	120.1°	119.7°
C14	C9	C8	111.1°	106.3°
C14	C9	C10	121.2°	119.9°
C8	C9	C10	127.7°	133.8°
C9	C8	H10	128.6°	126.5°
C12	C11	C10	124.1°	120.5°
C11	C12	H7	120.1°	119.7°
C12	C11	H8	118.0°	119.7°
C9	C10	C11	116.6°	119.8°
C9	C10	H9	121.7°	120.1°
C10	C11	H8	118.0°	119.8°
C11	C10	H9	121.7°	120.1°
H2	C16	H3	109.5°	109.5°
H4	C15	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C17	O2	C16	179.7°	179.7°
O1	C17	C16	C15	32.1°	0.0°
O1	C17	O2	H1	0.0°	0.0°
O1	C17	C16	H2	152.3°	120.0°
O1	C17	C16	H3	88.2°	120.0°
O2	C17	C16	C15	147.6°	179.7°
O2	C17	C16	H2	27.4°	60.3°
O2	C17	C16	H3	92.1°	59.7°
C17	C16	C15	H2	120.2°	120.0°
C17	C16	C15	H3	120.3°	120.0°
C17	C16	C15	N	172.5°	175.8°
C16	C17	O2	H1	179.7°	179.7°
C17	C16	H2	H3	119.2°	120.0°
C17	C16	C15	H4	68.4°	64.1°
C17	C16	C15	H5	53.4°	55.9°
C5	C6	C1	H14	180.0°	179.4°
C6	C5	C4	H13	180.0°	179.9°
C5	C6	C1	C2	7.4°	0.8°
C6	C5	C4	C3	3.3°	0.0°
C6	C5	C4	C7	178.3°	179.7°
C5	C6	C1	H15	172.6°	179.9°
C1	C6	C5	C4	2.0°	0.6°
C6	C1	C2	H15	180.0°	179.2°
C6	C1	C2	C3	8.2°	0.5°
C6	C1	C2	H12	171.9°	179.5°
C1	C6	C5	H13	178.0°	179.5°
C16	C15	N	H4	119.1°	120.0°
C16	C15	N	H5	119.1°	120.0°
C16	C15	N	C7	87.5°	95.7°
C16	C15	N	C14	95.4°	84.0°
C15	C16	H2	H3	119.3°	120.0°
C16	C15	H4	H5	122.6°	120.0°
C5	C4	C3	C2	2.9°	0.2°
C5	C4	C3	C7	178.5°	179.7°
C5	C4	C7	N	5.1°	23.7°
C5	C4	C7	C8	178.3°	156.5°
C5	C4	C3	H11	177.1°	179.8°
C4	C5	C6	H14	178.0°	180.0°
C1	C2	C3	H12	180.0°	180.0°
C1	C2	C3	C4	3.2°	0.0°
C1	C2	C3	H11	176.9°	180.0°
C2	C1	C6	H14	172.6°	179.7°
C15	N	C7	C4	2.7°	0.1°
C15	N	C7	C14	177.5°	179.7°
C15	N	C7	C8	179.8°	179.8°
C15	N	C14	C13	3.2°	0.1°
C15	N	C14	C9	177.9°	180.0°
N	C15	C16	H2	52.3°	55.8°
N	C15	C16	H3	67.3°	64.2°
N	C15	H4	H5	122.6°	120.0°
C2	C3	C4	H11	180.0°	180.0°
C2	C3	C4	C7	178.6°	180.0°
C3	C2	C1	H15	171.8°	179.8°
C3	C4	C7	N	173.2°	156.6°
C3	C4	C7	C8	3.4°	23.2°
C4	C3	C2	H12	176.8°	180.0°
C3	C4	C5	H13	176.7°	179.9°
C4	C7	N	C8	177.1°	179.8°
C4	C7	N	C14	179.8°	179.8°
C4	C7	C8	C9	179.6°	179.8°
C4	C7	C8	H10	0.4°	0.0°
C7	C4	C3	H11	1.4°	0.1°
C7	C4	C5	H13	1.7°	0.2°
C7	N	C14	C13	179.4°	179.7°
C7	N	C14	C9	0.6°	0.2°
N	C7	C8	C9	3.5°	0.4°
C7	N	C15	H4	153.5°	24.3°
C7	N	C15	H5	31.6°	144.3°
N	C7	C8	H10	176.5°	179.8°
C14	N	C7	C8	2.7°	0.4°
N	C14	C13	C9	178.7°	179.9°
N	C14	C13	C12	179.5°	180.0°
N	C14	C9	C8	1.7°	0.0°
N	C14	C9	C10	178.3°	180.0°
C14	N	C15	H4	23.6°	156.0°
C14	N	C15	H5	145.5°	36.0°
N	C14	C13	H6	0.5°	0.1°
C7	C8	C9	C14	3.2°	0.3°
C7	C8	C9	H10	180.0°	179.8°
C7	C8	C9	C10	179.5°	179.7°
C14	C13	C12	H6	180.0°	180.0°
C13	C14	C9	C8	177.3°	180.0°
C14	C13	C12	C11	2.8°	0.0°
C13	C14	C9	C10	0.7°	0.1°
C14	C13	C12	H7	177.2°	180.0°
C12	C13	C14	C9	0.8°	0.1°
C13	C12	C11	H7	180.0°	180.0°
C13	C12	C11	C10	3.5°	0.0°
C13	C12	C11	H8	176.5°	180.0°
C14	C9	C8	C10	176.4°	180.0°
C14	C9	C10	C11	0.2°	0.0°
C9	C14	C13	H6	179.2°	180.0°
C14	C9	C10	H9	179.8°	179.9°
C14	C9	C8	H10	176.8°	179.9°
C8	C9	C10	C11	176.2°	180.0°
C8	C9	C10	H9	3.8°	0.1°
C12	C11	C10	C9	1.9°	0.0°
C12	C11	C10	H8	180.0°	180.0°
C11	C12	C13	H6	177.2°	180.0°
C12	C11	C10	H9	178.1°	179.9°
C9	C10	C11	H9	180.0°	179.9°
C9	C10	C11	H8	178.1°	180.0°
C10	C9	C8	H10	0.5°	0.0°
C10	C11	C12	H7	176.4°	180.0°
H2	C16	C15	H4	171.4°	175.8°
H2	C16	C15	H5	66.8°	64.1°
H3	C16	C15	H4	51.8°	55.8°
H3	C16	C15	H5	173.7°	175.9°
H6	C13	C12	H7	2.8°	0.0°
H7	C12	C11	H8	3.6°	0.0°
H8	C11	C10	H9	1.9°	0.1°
H11	C3	C2	H12	3.1°	0.0°
H12	C2	C1	H15	8.2°	0.3°
H13	C5	C6	H14	2.0°	0.1°
H14	C6	C1	H15	7.4°	0.5°

Release date:	2016-06-22
Definition date:	2015-08-12
Last modified:	2016-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	5D4A