ETE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OH2	C12	sing	1.43Å	1.52Å
OH2	HO2	sing	0.97Å	0.95Å
C12	C22	sing	1.53Å	1.56Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.11Å
C22	OH3	sing	1.43Å	1.46Å
C22	H221	sing	1.09Å	1.11Å
C22	H222	sing	1.09Å	1.11Å
OH3	C23	sing	1.43Å	1.56Å
C13	C23	sing	1.53Å	1.52Å
C13	OH4	sing	1.43Å	1.42Å
C13	H131	sing	1.09Å	1.11Å
C13	H132	sing	1.09Å	1.12Å
C23	H231	sing	1.09Å	1.11Å
C23	H232	sing	1.09Å	1.11Å
OH4	C24	sing	1.43Å	1.60Å
C14	C24	sing	1.53Å	1.44Å
C14	OH5	sing	1.43Å	1.41Å
C14	H141	sing	1.09Å	1.11Å
C14	H142	sing	1.09Å	1.12Å
C24	H241	sing	1.09Å	1.12Å
C24	H242	sing	1.09Å	1.12Å
OH5	C25	sing	1.43Å	1.51Å
C15	C25	sing	1.53Å	1.42Å
C15	OH6	sing	1.43Å	1.45Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.12Å
C25	H251	sing	1.09Å	1.11Å
C25	H252	sing	1.09Å	1.12Å
OH6	C26	sing	1.43Å	1.56Å
C26	H261	sing	1.09Å	1.12Å
C26	H262	sing	1.09Å	1.11Å
C26	H263	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	OH2	HO2	117.4°	106.8°
OH2	C12	C22	117.3°	109.4°
OH2	C12	H121	109.3°	109.5°
OH2	C12	H122	109.3°	109.5°
C22	C12	H121	109.4°	109.5°
C22	C12	H122	109.4°	109.4°
C12	C22	OH3	116.3°	109.5°
C12	C22	H221	109.7°	109.5°
C12	C22	H222	109.7°	109.5°
H121	C12	H122	100.8°	109.5°
OH3	C22	H221	109.7°	109.5°
OH3	C22	H222	109.7°	109.5°
C22	OH3	C23	113.3°	106.8°
H221	C22	H222	100.5°	109.4°
OH3	C23	C13	118.3°	109.4°
OH3	C23	H231	109.0°	109.4°
OH3	C23	H232	109.0°	109.5°
C23	C13	OH4	109.9°	109.5°
C23	C13	H131	112.1°	109.5°
C23	C13	H132	112.1°	109.5°
C13	C23	H231	109.0°	109.5°
C13	C23	H232	109.0°	109.5°
OH4	C13	H131	112.0°	109.4°
OH4	C13	H132	112.0°	109.5°
C13	OH4	C24	117.8°	106.8°
H131	C13	H132	98.4°	109.5°
H231	C23	H232	101.1°	109.5°
OH4	C24	C14	113.9°	109.4°
OH4	C24	H241	110.6°	109.5°
OH4	C24	H242	110.6°	109.5°
C24	C14	OH5	107.3°	109.4°
C24	C14	H141	113.1°	109.5°
C24	C14	H142	113.1°	109.5°
C14	C24	H241	110.5°	109.4°
C14	C24	H242	110.6°	109.4°
OH5	C14	H141	113.0°	109.5°
OH5	C14	H142	113.0°	109.5°
C14	OH5	C25	114.4°	106.8°
H141	C14	H142	97.4°	109.5°
H241	C24	H242	99.7°	109.5°
OH5	C25	C15	113.6°	109.5°
OH5	C25	H251	110.7°	109.5°
OH5	C25	H252	110.7°	109.4°
C25	C15	OH6	106.0°	109.5°
C25	C15	H151	113.6°	109.5°
C25	C15	H152	113.6°	109.5°
C15	C25	H251	110.7°	109.5°
C15	C25	H252	110.7°	109.5°
OH6	C15	H151	113.5°	109.5°
OH6	C15	H152	113.5°	109.4°
C15	OH6	C26	114.2°	106.8°
H151	C15	H152	96.9°	109.5°
H251	C25	H252	99.6°	109.4°
OH6	C26	H261	114.3°	109.4°
OH6	C26	H262	110.5°	109.5°
OH6	C26	H263	110.5°	109.5°
H261	C26	H262	110.5°	109.5°
H261	C26	H263	110.4°	109.5°
H262	C26	H263	99.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OH2	C12	C22	H121	125.2°	120.0°
OH2	C12	C22	H122	125.2°	120.0°
OH2	C12	H121	H122	115.1°	120.1°
OH2	C12	C22	OH3	0.4°	60.0°
OH2	C12	C22	H221	125.6°	60.0°
OH2	C12	C22	H222	124.9°	180.0°
HO2	OH2	C12	C22	180.0°	180.0°
HO2	OH2	C12	H121	54.8°	60.0°
HO2	OH2	C12	H122	54.7°	60.1°
C22	C12	H121	H122	115.2°	119.9°
C12	C22	OH3	H221	125.2°	120.0°
C12	C22	OH3	H222	125.2°	120.0°
C12	C22	H221	H222	115.5°	120.0°
C12	C22	OH3	C23	166.9°	179.9°
H121	C12	C22	OH3	124.9°	180.0°
H121	C12	C22	H221	0.4°	60.0°
H121	C12	C22	H222	109.9°	60.0°
H122	C12	C22	OH3	125.6°	60.0°
H122	C12	C22	H221	109.2°	180.0°
H122	C12	C22	H222	0.3°	60.0°
OH3	C22	H221	H222	115.5°	119.9°
C22	OH3	C23	C13	179.2°	180.0°
C22	OH3	C23	H231	55.6°	60.1°
C22	OH3	C23	H232	53.9°	60.0°
H221	C22	OH3	C23	41.7°	60.0°
H222	C22	OH3	C23	67.9°	59.9°
OH3	C23	C13	H231	125.2°	119.9°
OH3	C23	C13	H232	125.2°	120.1°
OH3	C23	C13	OH4	61.2°	60.1°
OH3	C23	C13	H131	173.6°	59.9°
OH3	C23	C13	H132	64.0°	179.9°
OH3	C23	H231	H232	114.8°	120.1°
C23	C13	OH4	H131	125.3°	120.0°
C23	C13	OH4	H132	125.3°	120.0°
C23	C13	H131	H132	118.0°	120.0°
C13	C23	H231	H232	114.7°	120.0°
C23	C13	OH4	C24	179.8°	180.0°
OH4	C13	H131	H132	117.9°	120.0°
OH4	C13	C23	H231	64.1°	180.0°
OH4	C13	C23	H232	173.6°	60.0°
C13	OH4	C24	C14	179.8°	180.0°
C13	OH4	C24	H241	55.0°	60.1°
C13	OH4	C24	H242	54.5°	60.0°
H131	C13	C23	H231	61.2°	60.0°
H131	C13	C23	H232	48.3°	180.0°
H131	C13	OH4	C24	54.9°	60.0°
H132	C13	C23	H231	170.7°	60.0°
H132	C13	C23	H232	61.2°	60.0°
H132	C13	OH4	C24	54.6°	60.0°
OH4	C24	C14	H241	125.3°	120.0°
OH4	C24	C14	H242	125.3°	120.0°
OH4	C24	C14	OH5	54.0°	60.0°
OH4	C24	C14	H141	71.2°	60.0°
OH4	C24	C14	H142	179.2°	180.0°
OH4	C24	H241	H242	116.5°	120.1°
C24	C14	OH5	H141	125.3°	120.0°
C24	C14	OH5	H142	125.3°	120.0°
C24	C14	H141	H142	119.0°	120.0°
C14	C24	H241	H242	116.4°	120.0°
C24	C14	OH5	C25	179.5°	180.0°
OH5	C14	H141	H142	118.9°	120.0°
OH5	C14	C24	H241	179.3°	180.0°
OH5	C14	C24	H242	71.3°	60.0°
C14	OH5	C25	C15	154.8°	180.0°
C14	OH5	C25	H251	79.9°	59.9°
C14	OH5	C25	H252	29.6°	60.0°
H141	C14	C24	H241	54.1°	60.0°
H141	C14	C24	H242	163.5°	180.0°
H141	C14	OH5	C25	55.2°	60.0°
H142	C14	C24	H241	55.5°	60.0°
H142	C14	C24	H242	54.0°	60.0°
H142	C14	OH5	C25	54.2°	60.0°
OH5	C25	C15	H251	125.3°	120.1°
OH5	C25	C15	H252	125.3°	119.9°
OH5	C25	C15	OH6	38.4°	60.0°
OH5	C25	C15	H151	86.9°	60.0°
OH5	C25	C15	H152	163.6°	179.9°
OH5	C25	H251	H252	116.6°	119.9°
C25	C15	OH6	H151	125.3°	120.0°
C25	C15	OH6	H152	125.3°	120.0°
C25	C15	H151	H152	119.5°	120.0°
C15	C25	H251	H252	116.5°	120.0°
C25	C15	OH6	C26	166.9°	180.0°
OH6	C15	H151	H152	119.4°	120.0°
OH6	C15	C25	H251	163.7°	179.9°
OH6	C15	C25	H252	86.9°	59.9°
C15	OH6	C26	H261	180.0°	180.0°
C15	OH6	C26	H262	54.7°	60.0°
C15	OH6	C26	H263	54.7°	60.0°
H151	C15	C25	H251	38.4°	60.1°
H151	C15	C25	H252	147.9°	179.9°
H151	C15	OH6	C26	67.8°	60.0°
H152	C15	C25	H251	71.1°	60.0°
H152	C15	C25	H252	38.4°	60.0°
H152	C15	OH6	C26	41.6°	60.0°
OH6	C26	H261	H262	125.3°	120.0°
OH6	C26	H261	H263	125.3°	120.0°
OH6	C26	H262	H263	116.3°	120.0°
H261	C26	H262	H263	116.2°	120.0°

Definition date:	2002-10-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1MXG