1Y9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C4	doub	1.21Å	1.44Å
C4	C3	sing	1.51Å	1.52Å
O1	C2	sing	1.43Å	1.46Å
C6	C3	sing	1.53Å	1.56Å
C6	C7	sing	1.51Å	1.50Å
C9	C8	sing	1.51Å	1.54Å
C3	C2	sing	1.55Å	1.58Å
C3	C11	sing	1.51Å	1.50Å
C2	C15	sing	1.55Å	1.55Å
C7	C8	doub	1.31Å	1.35Å
C8	C10	sing	1.51Å	1.50Å
C11	C12	doub	1.31Å	1.34Å
C15	C12	sing	1.51Å	1.51Å
C12	C13	sing	1.51Å	1.50Å
C13	O14	sing	1.43Å	1.43Å
O1	H1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.08Å	1.08Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.08Å	1.08Å
C13	H18	sing	1.09Å	1.10Å
C13	H19	sing	1.09Å	1.10Å
O14	H20	sing	0.97Å	0.95Å
C15	H21	sing	1.09Å	1.10Å
C15	H22	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C4	C3	119.1°	120.0°
O5	C4	H3	120.5°	120.0°
C4	C3	C6	103.3°	110.4°
C4	C3	C2	112.8°	110.4°
C4	C3	C11	107.8°	110.4°
C3	C4	H3	120.4°	120.0°
O1	C2	C3	112.7°	111.0°
O1	C2	C15	109.4°	111.0°
C2	O1	H1	109.5°	114.0°
O1	C2	H2	110.3°	110.9°
C3	C6	C7	119.4°	109.5°
C6	C3	C2	114.7°	110.4°
C6	C3	C11	115.7°	110.4°
C3	C6	H6	106.9°	109.4°
C3	C6	H7	106.9°	109.4°
C6	C7	C8	126.2°	120.0°
C7	C6	H6	107.0°	109.5°
C7	C6	H7	107.0°	109.5°
C6	C7	H8	116.9°	120.0°
C9	C8	C7	124.7°	120.0°
C9	C8	C10	115.9°	120.0°
C8	C9	H9	109.5°	109.4°
C8	C9	H10	109.5°	109.5°
C8	C9	H11	109.5°	109.5°
C2	C3	C11	102.7°	104.8°
C3	C2	C15	106.8°	101.4°
C3	C2	H2	108.5°	111.1°
C3	C11	C12	112.0°	111.1°
C3	C11	H15	124.0°	124.5°
C2	C15	C12	102.1°	104.7°
C15	C2	H2	109.0°	111.0°
C2	C15	H21	111.3°	110.4°
C2	C15	H22	111.3°	110.4°
C7	C8	C10	119.3°	120.0°
C8	C7	H8	116.9°	120.0°
C8	C10	H12	109.5°	109.5°
C8	C10	H13	109.5°	109.4°
C8	C10	H14	109.5°	109.5°
C11	C12	C15	114.1°	111.1°
C11	C12	C13	128.6°	124.5°
C12	C11	H15	124.0°	124.4°
C15	C12	C13	117.3°	124.5°
C12	C15	H21	111.3°	110.4°
C12	C15	H22	111.3°	110.3°
C12	C13	O14	111.5°	109.5°
C12	C13	H18	109.0°	109.5°
C12	C13	H19	109.0°	109.5°
O14	C13	H18	109.0°	109.5°
O14	C13	H19	109.0°	109.4°
C13	O14	H20	109.5°	114.0°
H6	C6	H7	109.4°	109.5°
H9	C9	H10	109.4°	109.4°
H9	C9	H11	109.5°	109.4°
H10	C9	H11	109.5°	109.5°
H12	C10	H13	109.5°	109.4°
H12	C10	H14	109.5°	109.5°
H13	C10	H14	109.5°	109.5°
H18	C13	H19	109.5°	109.5°
H21	C15	H22	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C4	C3	H3	180.0°	180.0°
O5	C4	C3	C6	59.3°	122.4°
O5	C4	C3	C2	176.3°	0.1°
O5	C4	C3	C11	63.6°	115.3°
C4	C3	C2	O1	10.0°	25.4°
C4	C3	C6	C2	123.2°	122.4°
C4	C3	C6	C11	117.6°	122.3°
C4	C3	C6	C7	178.5°	57.6°
C4	C3	C2	C11	115.8°	118.8°
C4	C3	C2	C15	130.2°	143.5°
C4	C3	C11	C12	127.9°	135.3°
C4	C3	C2	H2	112.4°	98.5°
C4	C3	C6	H6	60.1°	62.4°
C4	C3	C6	H7	57.0°	177.7°
C4	C3	C11	H15	52.1°	44.7°
O1	C2	C3	C6	127.9°	147.8°
O1	C2	C3	C15	120.2°	118.0°
O1	C2	C3	H2	122.4°	123.9°
O1	C2	C3	C11	105.8°	93.4°
O1	C2	C15	H2	120.7°	123.8°
O1	C2	C15	C12	107.6°	93.4°
O1	C2	C15	H21	133.6°	147.8°
O1	C2	C15	H22	11.2°	25.4°
C3	C6	C7	H6	121.4°	120.0°
C3	C6	C7	H7	121.4°	120.0°
C6	C3	C2	C11	126.3°	118.8°
C6	C3	C2	C15	111.9°	94.2°
C3	C6	C7	C8	170.2°	122.2°
C6	C3	C11	C12	117.1°	102.4°
C6	C3	C2	H2	5.5°	23.9°
C6	C3	C4	H3	120.7°	57.6°
C3	C6	H6	H7	115.5°	120.0°
C3	C6	C7	H8	9.8°	57.8°
C6	C3	C11	H15	62.9°	77.6°
C6	C7	C8	C9	0.4°	174.2°
C7	C6	C3	C2	55.3°	180.0°
C7	C6	C3	C11	64.0°	64.7°
C6	C7	C8	H8	180.0°	179.9°
C6	C7	C8	C10	179.2°	5.8°
C7	C6	H6	H7	115.5°	120.0°
C9	C8	C7	C10	179.6°	180.0°
C9	C8	C7	H8	179.6°	5.9°
C8	C9	H9	H10	120.0°	120.0°
C8	C9	H9	H11	120.0°	120.0°
C8	C9	H10	H11	120.0°	120.1°
C9	C8	C10	H12	180.0°	95.2°
C9	C8	C10	H13	60.0°	24.7°
C9	C8	C10	H14	60.0°	144.8°
C3	C2	C15	H2	117.1°	118.2°
C2	C3	C11	C12	8.6°	16.4°
C3	C2	C15	C12	14.6°	24.6°
C3	C2	O1	H1	180.0°	173.4°
C2	C3	C4	H3	3.7°	180.0°
C2	C3	C6	H6	176.7°	60.0°
C2	C3	C6	H7	66.1°	60.0°
C2	C3	C11	H15	171.4°	163.6°
C3	C2	C15	H21	104.2°	94.2°
C3	C2	C15	H22	133.4°	143.4°
C11	C3	C2	C15	14.4°	24.6°
C3	C11	C12	H15	180.0°	180.0°
C3	C11	C12	C15	0.9°	0.0°
C3	C11	C12	C13	179.2°	180.0°
C11	C3	C2	H2	131.8°	142.7°
C11	C3	C4	H3	116.4°	64.7°
C11	C3	C6	H6	57.5°	175.3°
C11	C3	C6	H7	174.6°	55.4°
C2	C15	C12	C11	10.1°	16.4°
C2	C15	C12	H21	118.8°	118.8°
C2	C15	C12	H22	118.8°	118.8°
C2	C15	C12	C13	169.9°	163.6°
C15	C2	O1	H1	61.3°	61.4°
C2	C15	H21	H22	123.5°	122.4°
C8	C7	C6	H6	48.8°	2.2°
C8	C7	C6	H7	68.4°	117.8°
C7	C8	C9	H9	180.0°	0.1°
C7	C8	C9	H10	60.0°	120.0°
C7	C8	C9	H11	60.0°	119.9°
C7	C8	C10	H12	0.3°	84.8°
C7	C8	C10	H13	120.3°	155.3°
C7	C8	C10	H14	119.7°	35.2°
C10	C8	C7	H8	0.8°	174.2°
C10	C8	C9	H9	0.3°	180.0°
C10	C8	C9	H10	120.3°	60.0°
C10	C8	C9	H11	119.6°	60.0°
C8	C10	H12	H13	120.0°	119.9°
C8	C10	H12	H14	120.0°	120.1°
C8	C10	H13	H14	120.0°	120.1°
C11	C12	C15	C13	179.9°	180.0°
C11	C12	C13	O14	37.3°	0.0°
C11	C12	C13	H18	157.6°	120.0°
C11	C12	C13	H19	83.0°	120.0°
C11	C12	C15	H21	108.7°	102.4°
C11	C12	C15	H22	128.9°	135.2°
C15	C12	C13	O14	142.6°	180.0°
C12	C15	C2	H2	131.7°	142.8°
C15	C12	C11	H15	179.1°	180.0°
C15	C12	C13	H18	22.3°	60.0°
C15	C12	C13	H19	97.1°	60.1°
C12	C15	H21	H22	123.4°	122.3°
C12	C13	O14	H18	120.3°	120.0°
C12	C13	O14	H19	120.3°	120.0°
C13	C12	C11	H15	0.8°	0.0°
C12	C13	H18	H19	119.1°	120.0°
C12	C13	O14	H20	180.0°	180.0°
C13	C12	C15	H21	71.3°	77.6°
C13	C12	C15	H22	51.1°	44.8°
O14	C13	H18	H19	119.1°	120.0°
H1	O1	C2	H2	58.6°	62.5°
H2	C2	C15	H21	12.9°	24.0°
H2	C2	C15	H22	109.5°	98.5°
H6	C6	C7	H8	131.2°	177.7°
H7	C6	C7	H8	111.6°	62.2°
H9	C9	H10	H11	120.0°	120.0°
H12	C10	H13	H14	120.0°	120.0°
H18	C13	O14	H20	59.7°	60.0°
H19	C13	O14	H20	59.7°	60.0°

Release date:	2013-12-25
Definition date:	2013-08-01
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	4LQI