UQ1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.22Å	1.23Å
C1	C2	sing	1.48Å	1.47Å
C1	C6	sing	1.48Å	1.46Å
C2	O2	sing	1.36Å	1.34Å
C2	C3	doub	1.35Å	1.35Å
O2	CM2	sing	1.43Å	1.45Å
CM2	HM21	sing	1.09Å	1.11Å
CM2	HM22	sing	1.09Å	1.11Å
CM2	HM23	sing	1.09Å	1.12Å
C3	O3	sing	1.36Å	1.35Å
C3	C4	sing	1.48Å	1.48Å
O3	CM3	sing	1.43Å	1.45Å
CM3	HM31	sing	1.09Å	1.11Å
CM3	HM32	sing	1.09Å	1.11Å
CM3	HM33	sing	1.09Å	1.11Å
C4	O4	doub	1.21Å	1.23Å
C4	C5	sing	1.48Å	1.49Å
C5	CM5	sing	1.51Å	1.50Å
C5	C6	doub	1.34Å	1.34Å
CM5	HM51	sing	1.09Å	1.12Å
CM5	HM52	sing	1.09Å	1.11Å
CM5	HM53	sing	1.09Å	1.11Å
C6	C7	sing	1.51Å	1.50Å
C7	C8	sing	1.51Å	1.54Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.12Å
C8	C9	doub	1.31Å	1.34Å
C8	H8	sing	1.08Å	1.10Å
C9	C10	sing	1.51Å	1.52Å
C9	C11	sing	1.51Å	1.54Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.11Å
C10	H103	sing	1.09Å	1.12Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.12Å
C11	H113	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	120.7°	120.0°
O1	C1	C6	119.0°	120.0°
C2	C1	C6	120.3°	120.0°
C1	C2	O2	114.9°	120.1°
C1	C2	C3	121.6°	119.9°
C1	C6	C5	119.7°	120.2°
C1	C6	C7	118.4°	119.9°
O2	C2	C3	123.5°	120.0°
C2	O2	CM2	120.3°	106.8°
C2	C3	O3	127.3°	120.1°
C2	C3	C4	117.5°	119.9°
O2	CM2	HM21	120.2°	109.5°
O2	CM2	HM22	108.3°	109.4°
O2	CM2	HM23	108.3°	109.5°
HM21	CM2	HM22	108.4°	109.4°
HM21	CM2	HM23	108.4°	109.4°
HM22	CM2	HM23	101.6°	109.5°
O3	C3	C4	115.2°	120.0°
C3	O3	CM3	122.8°	106.8°
C3	C4	O4	118.3°	120.0°
C3	C4	C5	121.1°	120.0°
O3	CM3	HM31	122.7°	109.5°
O3	CM3	HM32	107.5°	109.5°
O3	CM3	HM33	107.5°	109.5°
HM31	CM3	HM32	107.6°	109.5°
HM31	CM3	HM33	107.5°	109.4°
HM32	CM3	HM33	102.3°	109.4°
O4	C4	C5	120.6°	120.0°
C4	C5	CM5	120.6°	119.9°
C4	C5	C6	119.8°	120.1°
CM5	C5	C6	119.6°	120.0°
C5	CM5	HM51	120.6°	109.5°
C5	CM5	HM52	108.3°	109.5°
C5	CM5	HM53	108.3°	109.5°
C5	C6	C7	121.9°	119.9°
HM51	CM5	HM52	108.2°	109.5°
HM51	CM5	HM53	108.2°	109.4°
HM52	CM5	HM53	101.7°	109.4°
C6	C7	C8	111.2°	109.5°
C6	C7	H71	111.6°	109.5°
C6	C7	H72	111.6°	109.5°
C8	C7	H71	111.6°	109.4°
C8	C7	H72	111.5°	109.5°
C7	C8	C9	119.3°	120.0°
C7	C8	H8	127.0°	120.0°
H71	C7	H72	98.8°	109.5°
C9	C8	H8	113.7°	120.0°
C8	C9	C10	119.9°	120.0°
C8	C9	C11	120.5°	120.0°
C10	C9	C11	119.6°	119.9°
C9	C10	H101	119.9°	109.5°
C9	C10	H102	108.4°	109.4°
C9	C10	H103	108.5°	109.5°
C9	C11	H111	120.6°	109.4°
C9	C11	H112	108.3°	109.5°
C9	C11	H113	108.3°	109.5°
H101	C10	H102	108.5°	109.5°
H101	C10	H103	108.5°	109.5°
H102	C10	H103	101.6°	109.4°
H111	C11	H112	108.2°	109.4°
H111	C11	H113	108.2°	109.5°
H112	C11	H113	101.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C6	179.3°	179.9°
O1	C1	C2	O2	0.6°	0.0°
O1	C1	C2	C3	179.0°	180.0°
O1	C1	C6	C5	179.8°	179.9°
O1	C1	C6	C7	1.6°	0.0°
C1	C2	O2	C3	179.5°	180.0°
C1	C2	O2	CM2	54.9°	66.8°
C1	C2	C3	O3	179.0°	180.0°
C1	C2	C3	C4	0.5°	0.3°
C2	C1	C6	C5	0.5°	0.0°
C2	C1	C6	C7	179.1°	180.0°
C6	C1	C2	O2	179.9°	180.0°
C6	C1	C2	C3	0.3°	0.0°
C1	C6	C5	C4	1.0°	0.2°
C1	C6	C5	CM5	179.6°	180.0°
C1	C6	C5	C7	178.6°	180.0°
C1	C6	C7	C8	115.9°	90.0°
C1	C6	C7	H71	9.4°	30.0°
C1	C6	C7	H72	118.9°	150.0°
C2	O2	CM2	HM21	180.0°	176.2°
C2	O2	CM2	HM22	54.7°	63.9°
C2	O2	CM2	HM23	54.7°	56.2°
O2	C2	C3	O3	0.5°	0.1°
O2	C2	C3	C4	180.0°	179.7°
C3	C2	O2	CM2	125.6°	113.1°
C2	C3	O3	C4	179.6°	179.8°
C2	C3	O3	CM3	10.0°	113.1°
C2	C3	C4	O4	179.4°	180.0°
C2	C3	C4	C5	0.0°	0.5°
O2	CM2	HM21	HM22	125.3°	120.0°
O2	CM2	HM21	HM23	125.2°	120.0°
O2	CM2	HM22	HM23	113.9°	120.0°
HM21	CM2	HM22	HM23	114.1°	120.0°
C3	O3	CM3	HM31	180.0°	176.2°
C3	O3	CM3	HM32	54.7°	63.8°
C3	O3	CM3	HM33	54.8°	56.2°
O3	C3	C4	O4	1.0°	0.2°
O3	C3	C4	C5	179.6°	179.7°
C4	C3	O3	CM3	170.5°	67.1°
C3	C4	O4	C5	179.4°	179.5°
C3	C4	C5	CM5	179.8°	179.8°
C3	C4	C5	C6	0.8°	0.5°
O3	CM3	HM31	HM32	125.3°	120.1°
O3	CM3	HM31	HM33	125.2°	120.0°
O3	CM3	HM32	HM33	113.0°	120.0°
HM31	CM3	HM32	HM33	113.1°	119.9°
O4	C4	C5	CM5	0.4°	0.3°
O4	C4	C5	C6	179.9°	180.0°
C4	C5	CM5	C6	179.4°	179.8°
C4	C5	CM5	HM51	180.0°	0.3°
C4	C5	CM5	HM52	54.7°	120.3°
C4	C5	CM5	HM53	54.7°	119.7°
C4	C5	C6	C7	179.6°	179.7°
C5	CM5	HM51	HM52	125.3°	120.0°
C5	CM5	HM51	HM53	125.3°	120.0°
C5	CM5	HM52	HM53	113.9°	120.0°
CM5	C5	C6	C7	1.0°	0.0°
C6	C5	CM5	HM51	0.6°	180.0°
C6	C5	CM5	HM52	125.9°	59.9°
C6	C5	CM5	HM53	124.7°	60.0°
C5	C6	C7	C8	65.5°	90.0°
C5	C6	C7	H71	169.2°	150.0°
C5	C6	C7	H72	59.7°	30.0°
HM51	CM5	HM52	HM53	113.8°	119.9°
C6	C7	C8	H71	125.3°	120.0°
C6	C7	C8	H72	125.2°	120.0°
C6	C7	H71	H72	117.5°	120.0°
C6	C7	C8	C9	172.7°	127.4°
C6	C7	C8	H8	7.3°	52.8°
C8	C7	H71	H72	117.4°	120.0°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	0.4°	172.6°
C7	C8	C9	C11	179.8°	7.3°
H71	C7	C8	C9	47.4°	7.4°
H71	C7	C8	H8	132.6°	172.8°
H72	C7	C8	C9	62.0°	112.6°
H72	C7	C8	H8	117.9°	67.3°
C8	C9	C10	C11	179.8°	179.8°
C8	C9	C10	H101	180.0°	179.9°
C8	C9	C10	H102	54.7°	60.1°
C8	C9	C10	H103	54.8°	59.8°
C8	C9	C11	H111	180.0°	5.4°
C8	C9	C11	H112	54.8°	125.3°
C8	C9	C11	H113	54.7°	114.6°
H8	C8	C9	C10	179.6°	7.6°
H8	C8	C9	C11	0.2°	172.6°
C9	C10	H101	H102	125.2°	119.9°
C9	C10	H101	H103	125.2°	120.1°
C9	C10	H102	H103	114.1°	120.0°
C10	C9	C11	H111	0.2°	174.8°
C10	C9	C11	H112	125.4°	54.9°
C10	C9	C11	H113	125.1°	65.2°
C11	C9	C10	H101	0.2°	0.1°
C11	C9	C10	H102	125.1°	120.1°
C11	C9	C10	H103	125.4°	120.0°
C9	C11	H111	H112	125.3°	119.9°
C9	C11	H111	H113	125.3°	120.0°
C9	C11	H112	H113	113.9°	120.1°
H101	C10	H102	H103	114.2°	120.0°
H111	C11	H112	H113	113.8°	120.0°

Definition date:	1999-07-08
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	1PRC