3LA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O21	C21	doub	1.21Å	1.25Å
O22	C21	sing	1.34Å	1.26Å
C21	C22	sing	1.51Å	1.52Å
C22	C23	sing	1.51Å	1.52Å
C23	C24	sing	1.51Å	1.51Å
C23	O15	doub	1.21Å	1.22Å
C24	C25	sing	1.53Å	1.52Å
C25	C26	sing	1.53Å	1.52Å
C26	C27	sing	1.53Å	1.52Å
C27	C28	sing	1.53Å	1.52Å
C28	C29	sing	1.53Å	1.51Å
C29	C30	sing	1.53Å	1.52Å
C30	C31	sing	1.53Å	1.52Å
C31	C32	sing	1.53Å	1.51Å
O22	H22	sing	0.97Å	0.95Å
C22	H221	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C24	H241	sing	1.09Å	1.10Å
C24	H242	sing	1.09Å	1.10Å
C25	H251	sing	1.09Å	1.10Å
C25	H252	sing	1.09Å	1.10Å
C26	H261	sing	1.09Å	1.10Å
C26	H262	sing	1.09Å	1.10Å
C27	H271	sing	1.09Å	1.10Å
C27	H272	sing	1.09Å	1.10Å
C28	H281	sing	1.09Å	1.10Å
C28	H282	sing	1.09Å	1.10Å
C29	H291	sing	1.09Å	1.10Å
C29	H292	sing	1.09Å	1.10Å
C30	H301	sing	1.09Å	1.10Å
C30	H302	sing	1.09Å	1.10Å
C31	H311	sing	1.09Å	1.10Å
C31	H312	sing	1.09Å	1.10Å
C32	H321	sing	1.09Å	1.10Å
C32	H322	sing	1.09Å	1.10Å
C32	H323	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O21	C21	O22	123.1°	120.0°
O21	C21	C22	118.3°	120.0°
O22	C21	C22	118.6°	120.0°
C21	O22	H22	109.5°	117.0°
C21	C22	C23	113.7°	109.5°
C21	C22	H221	108.1°	109.5°
C21	C22	H222	107.1°	109.5°
C22	C23	C24	118.1°	120.0°
C22	C23	O15	121.6°	120.0°
C23	C22	H221	108.1°	109.5°
C23	C22	H222	107.1°	109.5°
C24	C23	O15	120.3°	120.1°
C23	C24	C25	111.7°	109.4°
C23	C24	H241	108.7°	109.5°
C23	C24	H242	108.3°	109.5°
C24	C25	C26	109.2°	109.5°
C25	C24	H241	108.7°	109.5°
C25	C24	H242	108.2°	109.5°
C24	C25	H251	109.6°	109.5°
C24	C25	H252	109.6°	109.5°
C25	C26	C27	110.8°	109.5°
C26	C25	H251	109.5°	109.4°
C26	C25	H252	109.6°	109.4°
C25	C26	H261	109.0°	109.5°
C25	C26	H262	108.8°	109.5°
C26	C27	C28	108.4°	109.5°
C27	C26	H261	109.0°	109.5°
C27	C26	H262	108.8°	109.5°
C26	C27	H271	109.8°	109.5°
C26	C27	H272	110.1°	109.5°
C27	C28	C29	110.4°	109.5°
C28	C27	H271	109.9°	109.5°
C28	C27	H272	110.1°	109.5°
C27	C28	H281	109.2°	109.5°
C27	C28	H282	109.0°	109.5°
C28	C29	C30	108.4°	109.5°
C29	C28	H281	109.2°	109.5°
C29	C28	H282	108.9°	109.5°
C28	C29	H291	109.8°	109.5°
C28	C29	H292	110.1°	109.5°
C29	C30	C31	109.8°	109.5°
C30	C29	H291	109.8°	109.5°
C30	C29	H292	110.1°	109.5°
C29	C30	H301	109.4°	109.4°
C29	C30	H302	109.3°	109.4°
C30	C31	C32	108.8°	109.5°
C31	C30	H301	109.4°	109.5°
C31	C30	H302	109.3°	109.5°
C30	C31	H311	109.7°	109.5°
C30	C31	H312	109.8°	109.5°
C32	C31	H311	109.7°	109.5°
C32	C31	H312	109.8°	109.5°
C31	C32	H321	109.5°	109.5°
C31	C32	H322	109.5°	109.5°
C31	C32	H323	109.5°	109.5°
H221	C22	H222	112.9°	109.5°
H241	C24	H242	111.2°	109.5°
H251	C25	H252	109.3°	109.5°
H261	C26	H262	110.5°	109.5°
H271	C27	H272	108.6°	109.5°
H281	C28	H282	110.2°	109.5°
H291	C29	H292	108.6°	109.5°
H301	C30	H302	109.7°	109.5°
H311	C31	H312	109.0°	109.5°
H321	C32	H322	109.5°	109.4°
H321	C32	H323	109.4°	109.5°
H322	C32	H323	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O21	C21	O22	C22	178.9°	180.0°
O21	C21	C22	C23	55.7°	0.0°
O21	C21	O22	H22	0.0°	0.0°
O21	C21	C22	H221	175.7°	120.0°
O21	C21	C22	H222	62.4°	120.0°
O22	C21	C22	C23	125.4°	180.0°
O22	C21	C22	H221	5.4°	60.0°
O22	C21	C22	H222	116.5°	60.0°
C21	C22	C23	H221	120.0°	120.0°
C21	C22	C23	H222	118.1°	120.0°
C21	C22	C23	C24	163.5°	180.0°
C21	C22	C23	O15	17.3°	0.0°
C22	C21	O22	H22	178.9°	180.0°
C21	C22	H221	H222	118.3°	120.0°
C22	C23	C24	O15	179.2°	180.0°
C22	C23	C24	C25	179.1°	180.0°
C23	C22	H221	H222	118.2°	120.0°
C22	C23	C24	H241	59.1°	60.0°
C22	C23	C24	H242	61.9°	60.0°
C23	C24	C25	H241	120.0°	120.0°
C23	C24	C25	H242	119.1°	120.0°
C23	C24	C25	C26	82.3°	180.0°
C24	C23	C22	H221	76.5°	60.0°
C24	C23	C22	H222	45.4°	60.0°
C23	C24	H241	H242	119.1°	120.0°
C23	C24	C25	H251	157.7°	60.0°
C23	C24	C25	H252	37.8°	60.0°
O15	C23	C24	C25	0.1°	0.0°
O15	C23	C22	H221	102.7°	120.0°
O15	C23	C22	H222	135.4°	120.0°
O15	C23	C24	H241	120.1°	120.0°
O15	C23	C24	H242	118.9°	120.0°
C24	C25	C26	H251	120.0°	120.0°
C24	C25	C26	H252	120.1°	120.0°
C24	C25	C26	C27	125.6°	180.0°
C25	C24	H241	H242	119.1°	120.0°
C24	C25	H251	H252	120.1°	120.1°
C24	C25	C26	H261	5.6°	60.0°
C24	C25	C26	H262	114.9°	60.0°
C25	C26	C27	H261	120.0°	120.0°
C25	C26	C27	H262	119.5°	120.0°
C25	C26	C27	C28	97.2°	180.0°
C26	C25	C24	H241	37.7°	60.0°
C26	C25	C24	H242	158.7°	60.0°
C26	C25	H251	H252	120.1°	120.0°
C25	C26	H261	H262	119.5°	120.0°
C25	C26	C27	H271	22.8°	60.0°
C25	C26	C27	H272	142.4°	60.0°
C26	C27	C28	H271	120.0°	120.0°
C26	C27	C28	H272	120.5°	120.0°
C26	C27	C28	C29	134.5°	180.0°
C27	C26	C25	H251	114.4°	60.0°
C27	C26	C25	H252	5.5°	60.0°
C27	C26	H261	H262	119.5°	120.0°
C26	C27	H271	H272	120.5°	120.0°
C26	C27	C28	H281	14.5°	60.0°
C26	C27	C28	H282	105.9°	60.0°
C27	C28	C29	H281	120.0°	120.0°
C27	C28	C29	H282	119.6°	120.0°
C27	C28	C29	C30	177.1°	180.0°
C28	C27	C26	H261	142.8°	60.0°
C28	C27	C26	H262	22.3°	60.0°
C28	C27	H271	H272	120.4°	120.0°
C27	C28	H281	H282	119.6°	120.0°
C27	C28	C29	H291	57.1°	60.0°
C27	C28	C29	H292	62.4°	60.0°
C28	C29	C30	H291	120.0°	120.0°
C28	C29	C30	H292	120.4°	120.0°
C28	C29	C30	C31	160.7°	180.0°
C29	C28	C27	H271	105.4°	60.0°
C29	C28	C27	H272	14.1°	60.0°
C29	C28	H281	H282	119.6°	120.0°
C28	C29	H291	H292	120.4°	120.0°
C28	C29	C30	H301	79.3°	60.0°
C28	C29	C30	H302	40.9°	60.0°
C29	C30	C31	H301	120.0°	120.0°
C29	C30	C31	H302	119.9°	120.0°
C29	C30	C31	C32	173.9°	180.0°
C30	C29	C28	H281	62.8°	60.0°
C30	C29	C28	H282	57.5°	60.0°
C30	C29	H291	H292	120.4°	120.0°
C29	C30	H301	H302	119.9°	120.0°
C29	C30	C31	H311	53.9°	60.0°
C29	C30	C31	H312	65.8°	60.0°
C30	C31	C32	H311	120.0°	120.0°
C30	C31	C32	H312	120.3°	120.0°
C31	C30	C29	H291	40.7°	60.0°
C31	C30	C29	H292	78.8°	60.0°
C31	C30	H301	H302	119.8°	120.1°
C30	C31	H311	H312	120.3°	120.0°
C30	C31	C32	H321	138.5°	60.0°
C30	C31	C32	H322	101.4°	60.0°
C30	C31	C32	H323	18.6°	180.0°
C32	C31	C30	H301	66.1°	60.0°
C32	C31	C30	H302	54.0°	60.0°
C32	C31	H311	H312	120.2°	120.0°
C31	C32	H321	H322	120.0°	120.0°
C31	C32	H321	H323	120.0°	120.0°
C31	C32	H322	H323	120.0°	120.0°
H241	C24	C25	H251	82.3°	180.0°
H241	C24	C25	H252	157.8°	60.0°
H242	C24	C25	H251	38.7°	60.0°
H242	C24	C25	H252	81.2°	180.0°
H251	C25	C26	H261	125.6°	180.0°
H251	C25	C26	H262	5.1°	60.0°
H252	C25	C26	H261	114.5°	60.0°
H252	C25	C26	H262	125.0°	180.0°
H261	C26	C27	H271	97.1°	180.0°
H261	C26	C27	H272	22.4°	60.0°
H262	C26	C27	H271	142.3°	60.0°
H262	C26	C27	H272	98.1°	180.0°
H271	C27	C28	H281	134.5°	180.0°
H271	C27	C28	H282	14.1°	60.0°
H272	C27	C28	H281	105.9°	60.0°
H272	C27	C28	H282	133.7°	180.0°
H281	C28	C29	H291	177.1°	NaN°
H281	C28	C29	H292	57.6°	60.0°
H282	C28	C29	H291	62.5°	60.0°
H282	C28	C29	H292	178.0°	NaN°
H291	C29	C30	H301	160.7°	180.0°
H291	C29	C30	H302	79.1°	60.0°
H292	C29	C30	H301	41.2°	60.0°
H292	C29	C30	H302	161.3°	180.0°
H301	C30	C31	H311	173.9°	180.0°
H301	C30	C31	H312	54.2°	60.0°
H302	C30	C31	H311	66.0°	60.0°
H302	C30	C31	H312	174.3°	180.0°
H311	C31	C32	H321	18.5°	180.0°
H311	C31	C32	H322	138.6°	60.0°
H311	C31	C32	H323	101.4°	60.0°
H312	C31	C32	H321	101.2°	60.0°
H312	C31	C32	H322	18.9°	180.0°
H312	C31	C32	H323	138.9°	60.0°
H321	C32	H322	H323	120.0°	120.0°

Definition date:	2009-11-16
Last modified:	2021-03-01
Release status:	REL
Processing site:	EBI
Derived from:	2WYC