UGG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C4	doub	1.31Å	1.32Å	Aromatic
N	C3	sing	1.33Å	1.34Å	Aromatic
C4	C5	sing	1.41Å	1.41Å	Aromatic
C3	C2	doub	1.36Å	1.38Å	Aromatic
C5	C6	doub	1.40Å	1.42Å	Aromatic
C5	C10	sing	1.42Å	1.42Å	Aromatic
C2	C10	sing	1.41Å	1.43Å	Aromatic
C2	C1	sing	1.51Å	1.51Å
C6	C7	sing	1.36Å	1.36Å	Aromatic
C10	C9	doub	1.40Å	1.42Å	Aromatic
C1	C	sing	1.51Å	1.52Å
O	C	doub	1.21Å	1.23Å
C	N1	sing	1.35Å	1.35Å
C7	C8	doub	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.36Å	1.37Å	Aromatic
N1	C11	sing	1.40Å	1.41Å
C12	C11	doub	1.39Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C11	C16	sing	1.39Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.38Å	Aromatic
C16	C15	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.38Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.08Å	1.08Å
C3	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N	C3	117.5°	122.8°
N	C4	C5	123.9°	119.9°
N	C4	H2	118.0°	120.1°
N	C3	C2	125.8°	121.9°
N	C3	H14	117.1°	119.1°
C4	C5	C6	123.4°	122.0°
C4	C5	C10	117.4°	118.6°
C5	C4	H2	118.0°	120.0°
C3	C2	C10	116.5°	118.7°
C3	C2	C1	121.9°	120.7°
C2	C3	H14	117.1°	119.0°
C6	C5	C10	119.2°	119.4°
C5	C6	C7	120.6°	119.5°
C5	C6	H3	119.7°	120.3°
C5	C10	C2	118.8°	118.2°
C5	C10	C9	117.9°	119.5°
C10	C2	C1	121.5°	120.7°
C2	C10	C9	123.3°	122.2°
C2	C1	C	113.9°	109.5°
C2	C1	H11	108.4°	109.5°
C2	C1	H12	108.4°	109.5°
C6	C7	C8	120.6°	121.1°
C7	C6	H3	119.7°	120.2°
C6	C7	H4	119.7°	119.5°
C10	C9	C8	121.0°	119.5°
C10	C9	H13	119.5°	120.2°
C1	C	O	122.1°	120.0°
C1	C	N1	114.2°	120.0°
C	C1	H11	108.4°	109.4°
C	C1	H12	108.4°	109.5°
O	C	N1	123.7°	120.0°
C	N1	C11	125.4°	120.0°
C	N1	H1	117.2°	120.0°
C7	C8	C9	120.7°	121.0°
C8	C7	H4	119.7°	119.4°
C7	C8	H5	119.7°	119.5°
C9	C8	H5	119.6°	119.5°
C8	C9	H13	119.5°	120.3°
N1	C11	C12	120.5°	120.1°
N1	C11	C16	119.3°	120.1°
C11	N1	H1	117.3°	120.0°
C11	C12	C13	119.8°	119.9°
C12	C11	C16	119.7°	119.8°
C11	C12	H10	120.1°	120.0°
C12	C13	C14	120.3°	120.1°
C12	C13	H6	119.8°	119.9°
C13	C12	H10	120.1°	120.0°
C11	C16	C15	119.8°	119.9°
C11	C16	H8	120.1°	120.0°
C13	C14	C15	120.0°	120.2°
C14	C13	H6	119.8°	120.0°
C13	C14	H9	120.0°	119.9°
C16	C15	C14	120.3°	120.1°
C16	C15	H7	119.9°	119.9°
C15	C16	H8	120.1°	120.0°
C14	C15	H7	119.9°	120.0°
C15	C14	H9	120.0°	119.9°
H11	C1	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C4	C5	H2	180.0°	179.8°
C4	N	C3	C2	0.2°	0.5°
N	C4	C5	C6	179.2°	179.8°
N	C4	C5	C10	0.3°	0.2°
C4	N	C3	H14	179.7°	180.0°
C3	N	C4	C5	0.1°	0.5°
N	C3	C2	H14	180.0°	179.6°
N	C3	C2	C10	0.1°	0.2°
N	C3	C2	C1	179.1°	179.7°
C3	N	C4	H2	179.9°	179.7°
C4	C5	C6	C10	179.5°	180.0°
C4	C5	C10	C2	0.7°	0.1°
C4	C5	C6	C7	179.8°	180.0°
C4	C5	C10	C9	179.6°	180.0°
C4	C5	C6	H3	0.2°	0.0°
C3	C2	C10	C5	0.6°	0.1°
C3	C2	C10	C1	179.3°	179.9°
C3	C2	C10	C9	179.4°	180.0°
C3	C2	C1	C	100.3°	95.0°
C3	C2	C1	H11	139.0°	145.1°
C3	C2	C1	H12	20.4°	25.1°
C6	C5	C10	C2	178.8°	179.9°
C5	C6	C7	H3	180.0°	180.0°
C6	C5	C10	C9	0.1°	0.1°
C5	C6	C7	C8	0.6°	0.0°
C6	C5	C4	H2	0.8°	0.0°
C5	C6	C7	H4	179.3°	180.0°
C5	C10	C2	C9	178.9°	179.9°
C5	C10	C2	C1	178.7°	180.0°
C10	C5	C6	C7	0.4°	0.0°
C5	C10	C9	C8	0.0°	0.1°
C10	C5	C4	H2	179.7°	180.0°
C10	C5	C6	H3	179.6°	180.0°
C5	C10	C9	H13	180.0°	180.0°
C10	C2	C1	C	78.9°	84.9°
C2	C10	C9	C8	178.8°	179.9°
C10	C2	C1	H11	41.7°	35.0°
C10	C2	C1	H12	160.4°	155.1°
C2	C10	C9	H13	1.2°	0.2°
C10	C2	C3	H14	179.9°	179.7°
C1	C2	C10	C9	0.2°	0.1°
C2	C1	C	H11	120.7°	120.0°
C2	C1	C	H12	120.6°	120.0°
C2	C1	C	O	11.7°	0.0°
C2	C1	C	N1	165.7°	180.0°
C2	C1	H11	H12	118.0°	120.0°
C1	C2	C3	H14	0.9°	0.2°
C6	C7	C8	H4	180.0°	179.9°
C6	C7	C8	C9	0.6°	0.0°
C6	C7	C8	H5	179.4°	179.9°
C10	C9	C8	C7	0.3°	0.0°
C10	C9	C8	H13	180.0°	179.9°
C10	C9	C8	H5	179.7°	180.0°
C1	C	O	N1	177.1°	180.0°
C1	C	N1	C11	168.4°	175.3°
C1	C	N1	H1	11.6°	4.3°
C	C1	H11	H12	118.0°	120.0°
O	C	N1	C11	8.9°	4.7°
O	C	N1	H1	171.1°	175.7°
O	C	C1	H11	132.3°	120.0°
O	C	C1	H12	109.0°	120.0°
C	N1	C11	H1	180.0°	179.7°
C	N1	C11	C12	83.2°	35.8°
C	N1	C11	C16	88.4°	144.9°
N1	C	C1	H11	45.0°	60.0°
N1	C	C1	H12	73.7°	60.0°
C7	C8	C9	H5	180.0°	180.0°
C8	C7	C6	H3	179.4°	179.9°
C7	C8	C9	H13	179.7°	179.9°
C9	C8	C7	H4	179.4°	179.9°
N1	C11	C12	C16	171.6°	179.2°
N1	C11	C12	C13	169.7°	179.7°
N1	C11	C16	C15	169.7°	180.0°
N1	C11	C16	H8	10.2°	0.0°
N1	C11	C12	H10	10.3°	0.2°
C11	C12	C13	H10	180.0°	179.9°
C11	C12	C13	C14	0.6°	0.1°
C12	C11	C16	C15	2.0°	0.8°
C12	C11	N1	H1	96.8°	144.5°
C11	C12	C13	H6	179.4°	179.8°
C12	C11	C16	H8	178.1°	179.2°
C13	C12	C11	C16	1.9°	0.5°
C12	C13	C14	H6	180.0°	179.7°
C12	C13	C14	C15	0.6°	0.3°
C12	C13	C14	H9	179.4°	179.8°
C11	C16	C15	H8	180.0°	180.0°
C11	C16	C15	C14	0.7°	0.5°
C16	C11	N1	H1	91.6°	34.7°
C11	C16	C15	H7	179.3°	179.4°
C16	C11	C12	H10	178.1°	179.5°
C13	C14	C15	C16	0.6°	0.0°
C13	C14	C15	H9	180.0°	179.9°
C13	C14	C15	H7	179.4°	180.0°
C14	C13	C12	H10	179.4°	180.0°
C16	C15	C14	H7	180.0°	180.0°
C16	C15	C14	H9	179.4°	179.9°
C15	C14	C13	H6	179.4°	180.0°
C14	C15	C16	H8	179.3°	179.5°
H3	C6	C7	H4	0.6°	0.0°
H4	C7	C8	H5	0.6°	0.0°
H5	C8	C9	H13	0.3°	0.1°
H6	C13	C14	H9	0.6°	0.1°
H6	C13	C12	H10	0.6°	0.3°
H7	C15	C16	H8	0.7°	0.5°
H7	C15	C14	H9	0.6°	0.1°

Release date:	2020-05-27
Definition date:	2020-05-18
Last modified:	2020-05-22
Release status:	REL
Processing site:	RCSB
Derived from:	5RGV