I3U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	C13	doub	1.21Å	1.20Å
C13	C12	sing	1.51Å	1.53Å
C12	C11	sing	1.53Å	1.53Å
O10	C09	doub	1.21Å	1.20Å
C11	C09	sing	1.51Å	1.55Å
C09	N07	sing	1.35Å	1.49Å
N07	C06	sing	1.47Å	1.47Å
N07	O08	sing	1.42Å	1.40Å
C06	C05	sing	1.53Å	1.54Å
C04	C05	sing	1.53Å	1.56Å
C04	C03	sing	1.53Å	1.58Å
C03	C02	sing	1.53Å	1.55Å
C02	N01	sing	1.47Å	1.47Å
C02	H1	sing	1.09Å	1.10Å
C02	H2	sing	1.09Å	1.10Å
C03	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.09Å	1.10Å
C04	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.09Å	1.10Å
C05	H7	sing	1.09Å	1.10Å
C05	H8	sing	1.09Å	1.10Å
C06	H9	sing	1.09Å	1.10Å
C06	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
N01	H16	sing	1.01Å	1.00Å
N01	H17	sing	1.01Å	1.00Å
O08	H19	sing	0.97Å	0.95Å
C13	O1	sing	1.34Å	1.45Å
O1	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O14	C13	C12	123.2°	120.0°
O14	C13	O1	120.1°	120.0°
C13	C12	C11	109.1°	109.5°
C13	C12	H13	109.5°	109.4°
C13	C12	H14	109.5°	109.5°
C12	C13	O1	116.7°	120.0°
C12	C11	C09	105.9°	109.5°
C12	C11	H11	110.4°	109.5°
C12	C11	H12	110.3°	109.5°
C11	C12	H13	109.6°	109.5°
C11	C12	H14	109.6°	109.5°
O10	C09	C11	119.4°	120.0°
O10	C09	N07	124.2°	120.0°
C11	C09	N07	116.4°	120.0°
C09	C11	H11	110.3°	109.4°
C09	C11	H12	110.3°	109.5°
C09	N07	C06	121.5°	120.0°
C09	N07	O08	116.7°	120.0°
C06	N07	O08	121.8°	120.0°
N07	C06	C05	113.2°	109.4°
N07	C06	H9	108.5°	109.5°
N07	C06	H10	108.5°	109.5°
N07	O08	H19	109.5°	114.0°
C06	C05	C04	111.2°	109.4°
C06	C05	H7	109.0°	109.5°
C06	C05	H8	109.0°	109.5°
C05	C06	H9	108.5°	109.5°
C05	C06	H10	108.5°	109.5°
C05	C04	C03	112.6°	109.4°
C05	C04	H5	108.7°	109.4°
C05	C04	H6	108.7°	109.5°
C04	C05	H7	109.0°	109.4°
C04	C05	H8	109.1°	109.5°
C04	C03	C02	110.2°	109.5°
C04	C03	H3	109.3°	109.5°
C04	C03	H4	109.3°	109.5°
C03	C04	H5	108.7°	109.5°
C03	C04	H6	108.7°	109.5°
C03	C02	N01	111.8°	109.5°
C03	C02	H1	108.9°	109.5°
C03	C02	H2	108.9°	109.5°
C02	C03	H3	109.3°	109.5°
C02	C03	H4	109.3°	109.4°
N01	C02	H1	108.9°	109.5°
N01	C02	H2	108.9°	109.5°
C02	N01	H16	109.5°	111.0°
C02	N01	H17	109.4°	111.0°
H1	C02	H2	109.5°	109.4°
H3	C03	H4	109.5°	109.5°
H5	C04	H6	109.5°	109.5°
H7	C05	H8	109.5°	109.5°
H9	C06	H10	109.4°	109.5°
H11	C11	H12	109.5°	109.5°
H13	C12	H14	109.5°	109.5°
H16	N01	H17	109.4°	111.0°
C13	O1	H15	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	C13	C12	O1	179.5°	179.9°
O14	C13	C12	C11	54.8°	0.0°
O14	C13	C12	H13	65.2°	120.0°
O14	C13	C12	H14	174.7°	120.0°
O14	C13	O1	H15	0.0°	0.1°
C13	C12	C11	H13	119.9°	120.0°
C13	C12	C11	H14	119.9°	120.0°
C13	C12	C11	C09	177.8°	180.0°
C13	C12	C11	H11	58.3°	60.0°
C13	C12	C11	H12	62.8°	60.0°
C13	C12	H13	H14	120.2°	120.0°
C12	C13	O1	H15	179.5°	180.0°
C12	C11	C09	O10	7.1°	0.0°
C12	C11	C09	H11	119.5°	120.0°
C12	C11	C09	H12	119.4°	120.0°
C12	C11	C09	N07	172.3°	180.0°
C12	C11	H11	H12	121.6°	120.0°
C11	C12	H13	H14	120.2°	120.0°
C11	C12	C13	O1	125.7°	180.0°
O10	C09	C11	N07	179.3°	180.0°
O10	C09	N07	C06	0.4°	0.0°
O10	C09	N07	O08	179.7°	180.0°
O10	C09	C11	H11	126.5°	120.0°
O10	C09	C11	H12	112.4°	120.0°
C11	C09	N07	C06	179.7°	180.0°
C11	C09	N07	O08	0.4°	0.0°
C09	C11	H11	H12	121.6°	120.0°
C09	C11	C12	H13	62.3°	60.0°
C09	C11	C12	H14	57.9°	60.0°
C09	N07	C06	O08	179.9°	180.0°
C09	N07	C06	C05	117.7°	75.0°
C09	N07	C06	H9	121.7°	45.0°
C09	N07	C06	H10	2.8°	165.0°
N07	C09	C11	H11	52.8°	60.0°
N07	C09	C11	H12	68.3°	60.0°
C09	N07	O08	H19	180.0°	180.0°
N07	C06	C05	H9	120.6°	120.0°
N07	C06	C05	H10	120.6°	120.0°
N07	C06	C05	C04	120.1°	180.0°
N07	C06	C05	H7	0.2°	60.0°
N07	C06	C05	H8	119.6°	60.0°
N07	C06	H9	H10	118.3°	120.0°
C06	N07	O08	H19	0.1°	0.0°
O08	N07	C06	C05	62.4°	105.0°
O08	N07	C06	H9	58.2°	135.0°
O08	N07	C06	H10	177.0°	15.0°
C06	C05	C04	H7	120.3°	120.0°
C06	C05	C04	H8	120.3°	120.0°
C06	C05	C04	C03	176.8°	NaN°
C06	C05	C04	H5	62.7°	60.0°
C06	C05	C04	H6	56.3°	60.0°
C06	C05	H7	H8	119.2°	120.1°
C05	C06	H9	H10	118.3°	120.0°
C05	C04	C03	H5	120.5°	119.9°
C05	C04	C03	H6	120.5°	120.0°
C05	C04	C03	C02	75.4°	180.0°
C05	C04	C03	H3	44.7°	60.0°
C05	C04	C03	H4	164.5°	60.0°
C05	C04	H5	H6	118.6°	120.0°
C04	C05	H7	H8	119.2°	120.0°
C04	C05	C06	H9	119.3°	60.1°
C04	C05	C06	H10	0.5°	60.0°
C04	C03	C02	H3	120.1°	120.0°
C04	C03	C02	H4	120.1°	120.0°
C04	C03	C02	N01	167.2°	180.0°
C04	C03	C02	H1	46.8°	60.0°
C04	C03	C02	H2	72.5°	60.0°
C04	C03	H3	H4	119.7°	120.0°
C03	C04	H5	H6	118.6°	120.0°
C03	C04	C05	H7	56.6°	60.0°
C03	C04	C05	H8	62.9°	60.0°
C03	C02	N01	H1	120.3°	120.0°
C03	C02	N01	H2	120.4°	120.0°
C03	C02	H1	H2	118.9°	120.0°
C02	C03	H3	H4	119.6°	120.0°
C02	C03	C04	H5	164.1°	60.0°
C02	C03	C04	H6	45.1°	60.0°
C03	C02	N01	H16	180.0°	56.0°
C03	C02	N01	H17	60.0°	180.0°
N01	C02	H1	H2	119.0°	120.0°
N01	C02	C03	H3	72.7°	60.0°
N01	C02	C03	H4	47.0°	60.0°
C02	N01	H16	H17	120.0°	124.0°
H1	C02	C03	H3	166.9°	60.0°
H1	C02	C03	H4	73.3°	179.9°
H1	C02	N01	H16	59.7°	64.0°
H1	C02	N01	H17	179.6°	60.0°
H2	C02	C03	H3	47.6°	180.0°
H2	C02	C03	H4	167.4°	60.0°
H2	C02	N01	H16	59.6°	176.0°
H2	C02	N01	H17	60.3°	60.0°
H3	C03	C04	H5	75.8°	180.0°
H3	C03	C04	H6	165.1°	60.0°
H4	C03	C04	H5	44.0°	59.9°
H4	C03	C04	H6	75.1°	179.9°
H5	C04	C05	H7	177.0°	180.0°
H5	C04	C05	H8	57.5°	60.0°
H6	C04	C05	H7	63.9°	60.0°
H6	C04	C05	H8	176.6°	180.0°
H7	C05	C06	H9	120.4°	NaN°
H7	C05	C06	H10	120.8°	59.9°
H8	C05	C06	H9	0.9°	60.0°
H8	C05	C06	H10	119.8°	180.0°
H11	C11	C12	H13	178.3°	180.0°
H11	C11	C12	H14	61.6°	60.0°
H12	C11	C12	H13	57.1°	60.0°
H12	C11	C12	H14	177.3°	180.0°
H13	C12	C13	O1	114.3°	60.0°
H14	C12	C13	O1	5.8°	59.9°

Release date:	2022-07-06
Definition date:	2022-01-10
Last modified:	2022-07-01
Release status:	REL
Processing site:	RCSB
Derived from:	7TGM