3QK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	B1	sing	1.37Å	1.65Å
B1	O2	sing	1.37Å	1.65Å
B1	C13	sing	1.60Å	1.67Å
C13	C12	sing	1.53Å	1.52Å
C12	C11	sing	1.53Å	1.52Å
C11	C10	sing	1.53Å	1.51Å
C10	C9	sing	1.53Å	1.52Å
C9	C8	sing	1.53Å	1.51Å
C8	C7	sing	1.53Å	1.52Å
C6	C7	sing	1.53Å	1.53Å
C6	H1	sing	1.09Å	1.10Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C13	H17	sing	1.09Å	1.10Å
O2	H18	sing	0.97Å	0.95Å
O3	H19	sing	0.97Å	0.95Å
B1	O1	sing	1.37Å	36.04Å
O1	H20	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	B1	O2	106.9°	109.5°
O3	B1	C13	113.4°	109.4°
B1	O3	H19	109.5°	114.0°
O3	B1	O1	92.4°	109.5°
O2	B1	C13	111.3°	109.5°
B1	O2	H18	109.5°	114.0°
O2	B1	O1	44.8°	109.5°
B1	C13	C12	109.4°	109.4°
B1	C13	H16	109.5°	109.4°
B1	C13	H17	109.5°	109.5°
C13	B1	O1	150.9°	109.4°
C13	C12	C11	111.9°	109.5°
C13	C12	H14	108.8°	109.5°
C13	C12	H15	108.9°	109.5°
C12	C13	H16	109.5°	109.4°
C12	C13	H17	109.5°	109.5°
C12	C11	C10	115.4°	109.5°
C12	C11	H12	108.0°	109.5°
C12	C11	H13	108.0°	109.5°
C11	C12	H14	108.9°	109.5°
C11	C12	H15	108.8°	109.5°
C11	C10	C9	111.9°	109.5°
C11	C10	H10	108.9°	109.4°
C11	C10	H11	108.9°	109.5°
C10	C11	H12	108.0°	109.4°
C10	C11	H13	108.0°	109.5°
C10	C9	C8	113.4°	109.5°
C10	C9	H8	108.5°	109.5°
C10	C9	H9	108.5°	109.5°
C9	C10	H10	108.9°	109.5°
C9	C10	H11	108.8°	109.5°
C9	C8	C7	114.4°	109.5°
C9	C8	H6	108.2°	109.4°
C9	C8	H7	108.2°	109.5°
C8	C9	H8	108.5°	109.5°
C8	C9	H9	108.5°	109.5°
C8	C7	C6	114.2°	109.5°
C8	C7	H4	108.3°	109.5°
C8	C7	H5	108.3°	109.5°
C7	C8	H6	108.2°	109.5°
C7	C8	H7	108.2°	109.5°
C7	C6	H1	109.5°	109.5°
C7	C6	H2	109.5°	109.4°
C7	C6	H3	109.5°	109.5°
C6	C7	H4	108.3°	109.5°
C6	C7	H5	108.3°	109.4°
H1	C6	H2	109.5°	109.5°
H1	C6	H3	109.4°	109.5°
H2	C6	H3	109.5°	109.5°
H4	C7	H5	109.5°	109.5°
H6	C8	H7	109.5°	109.4°
H8	C9	H9	109.5°	109.4°
H10	C10	H11	109.5°	109.4°
H12	C11	H13	109.5°	109.4°
H14	C12	H15	109.5°	109.5°
H16	C13	H17	109.5°	109.5°
B1	O1	H20	90.0°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	B1	O2	C13	124.3°	120.0°
O3	B1	O2	O1	75.8°	120.0°
O3	B1	C13	O1	150.5°	120.0°
O3	B1	C13	C12	179.4°	180.0°
O3	B1	C13	H16	59.4°	60.1°
O3	B1	C13	H17	60.6°	60.0°
O3	B1	O2	H18	180.0°	60.1°
O3	B1	O1	H20	90.0°	180.0°
O2	B1	C13	O1	29.9°	120.0°
O2	B1	C13	C12	60.0°	60.0°
O2	B1	C13	H16	180.0°	59.9°
O2	B1	C13	H17	60.0°	180.0°
O2	B1	O3	H19	180.0°	60.0°
O2	B1	O1	H20	90.0°	60.0°
B1	C13	C12	H16	120.0°	119.9°
B1	C13	C12	H17	120.0°	120.0°
B1	C13	C12	C11	160.8°	180.0°
B1	C13	C12	H14	78.8°	60.0°
B1	C13	C12	H15	40.4°	60.0°
B1	C13	H16	H17	120.0°	120.1°
C13	B1	O2	H18	55.7°	180.0°
C13	B1	O3	H19	57.0°	60.0°
C13	B1	O1	H20	90.0°	60.0°
C13	C12	C11	H14	120.4°	120.0°
C13	C12	C11	H15	120.4°	120.0°
C13	C12	C11	C10	162.8°	180.0°
C13	C12	C11	H12	76.3°	60.0°
C13	C12	C11	H13	41.9°	60.0°
C13	C12	H14	H15	118.9°	120.0°
C12	C13	H16	H17	120.0°	120.0°
C12	C13	B1	O1	30.2°	60.1°
C12	C11	C10	H12	120.9°	120.0°
C12	C11	C10	H13	120.9°	120.1°
C12	C11	C10	C9	153.7°	180.0°
C12	C11	C10	H10	33.3°	60.0°
C12	C11	C10	H11	86.0°	59.9°
C12	C11	H12	H13	117.3°	120.0°
C11	C12	H14	H15	118.9°	120.0°
C11	C12	C13	H16	40.8°	60.1°
C11	C12	C13	H17	79.2°	60.0°
C11	C10	C9	H10	120.4°	120.0°
C11	C10	C9	H11	120.4°	120.0°
C11	C10	C9	C8	172.5°	180.0°
C11	C10	C9	H8	52.0°	60.0°
C11	C10	C9	H9	66.9°	60.0°
C11	C10	H10	H11	118.9°	120.0°
C10	C11	H12	H13	117.3°	120.0°
C10	C11	C12	H14	42.4°	60.0°
C10	C11	C12	H15	76.8°	60.0°
C10	C9	C8	H8	120.6°	120.0°
C10	C9	C8	H9	120.6°	120.0°
C10	C9	C8	C7	175.8°	180.0°
C10	C9	C8	H6	55.1°	60.0°
C10	C9	C8	H7	63.5°	60.0°
C10	C9	H8	H9	118.2°	120.0°
C9	C10	H10	H11	118.9°	120.0°
C9	C10	C11	H12	85.4°	60.0°
C9	C10	C11	H13	32.8°	59.9°
C9	C8	C7	H6	120.7°	120.0°
C9	C8	C7	H7	120.7°	120.0°
C9	C8	C7	C6	77.6°	180.0°
C9	C8	C7	H4	161.7°	60.0°
C9	C8	C7	H5	43.0°	60.0°
C9	C8	H6	H7	117.8°	120.0°
C8	C9	H8	H9	118.2°	120.0°
C8	C9	C10	H10	67.1°	60.0°
C8	C9	C10	H11	52.2°	60.0°
C8	C7	C6	H4	120.7°	120.0°
C8	C7	C6	H5	120.7°	120.0°
C8	C7	C6	H1	180.0°	180.0°
C8	C7	C6	H2	60.0°	60.0°
C8	C7	C6	H3	60.0°	60.0°
C8	C7	H4	H5	117.9°	120.0°
C7	C8	H6	H7	117.8°	120.0°
C7	C8	C9	H8	63.6°	60.0°
C7	C8	C9	H9	55.2°	60.0°
C7	C6	H1	H2	120.0°	120.0°
C7	C6	H1	H3	120.0°	120.0°
C7	C6	H2	H3	120.0°	120.0°
C6	C7	H4	H5	117.9°	120.0°
C6	C7	C8	H6	43.1°	60.0°
C6	C7	C8	H7	161.7°	60.0°
H1	C6	H2	H3	119.9°	120.0°
H1	C6	C7	H4	59.3°	60.0°
H1	C6	C7	H5	59.3°	60.0°
H2	C6	C7	H4	179.3°	60.0°
H2	C6	C7	H5	60.7°	180.0°
H3	C6	C7	H4	60.7°	180.0°
H3	C6	C7	H5	179.3°	60.0°
H4	C7	C8	H6	77.6°	180.0°
H4	C7	C8	H7	41.0°	60.1°
H5	C7	C8	H6	163.8°	60.0°
H5	C7	C8	H7	77.6°	180.0°
H6	C8	C9	H8	175.7°	180.0°
H6	C8	C9	H9	65.5°	60.0°
H7	C8	C9	H8	57.1°	60.1°
H7	C8	C9	H9	175.9°	180.0°
H8	C9	C10	H10	172.3°	180.0°
H8	C9	C10	H11	68.4°	60.1°
H9	C9	C10	H10	53.5°	60.0°
H9	C9	C10	H11	172.7°	180.0°
H10	C10	C11	H12	154.2°	180.0°
H10	C10	C11	H13	87.6°	60.0°
H11	C10	C11	H12	34.9°	60.0°
H11	C10	C11	H13	153.2°	180.0°
H12	C11	C12	H14	163.3°	180.0°
H12	C11	C12	H15	44.0°	60.0°
H13	C11	C12	H14	78.4°	60.1°
H13	C11	C12	H15	162.3°	180.0°
H14	C12	C13	H16	161.2°	179.9°
H14	C12	C13	H17	41.2°	60.0°
H15	C12	C13	H16	79.6°	59.9°
H15	C12	C13	H17	160.4°	180.0°
H16	C13	B1	O1	150.2°	180.0°
H17	C13	B1	O1	89.8°	60.0°
H18	O2	B1	O1	104.2°	60.0°
H19	O3	B1	O1	136.9°	180.0°

Release date:	2014-11-12
Definition date:	2014-10-17
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	4WKV