WTG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O29	C28	sing	1.36Å	1.43Å
C27	C28	doub	1.39Å	1.45Å	Aromatic
C27	C26	sing	1.38Å	1.40Å	Aromatic
C28	C03	sing	1.39Å	1.36Å	Aromatic
C26	C05	doub	1.38Å	1.37Å	Aromatic
C03	O02	sing	1.36Å	1.40Å
C03	C04	doub	1.38Å	1.41Å	Aromatic
O02	C01	sing	1.43Å	1.40Å
C05	C04	sing	1.38Å	1.45Å	Aromatic
C05	C06	sing	1.51Å	1.60Å
C21	C22	doub	1.38Å	1.38Å	Aromatic
C21	C20	sing	1.38Å	1.41Å	Aromatic
C06	C07	sing	1.53Å	1.51Å
C22	C23	sing	1.38Å	1.43Å	Aromatic
C20	C19	doub	1.40Å	1.39Å	Aromatic
C07	N08	sing	1.47Å	1.45Å
C23	C24	doub	1.38Å	1.37Å	Aromatic
N08	C09	sing	1.35Å	1.44Å
C19	C24	sing	1.40Å	1.42Å	Aromatic
C19	C17	sing	1.48Å	1.52Å
C24	F25	sing	1.35Å	1.38Å
N18	C17	sing	1.36Å	1.51Å
N18	C11	sing	1.38Å	1.46Å
C09	O10	doub	1.22Å	1.21Å
C09	C11	sing	1.48Å	1.55Å
C17	N16	doub	1.32Å	1.48Å
C11	C12	doub	1.37Å	1.49Å
N16	C14	sing	1.34Å	1.46Å
C12	C14	sing	1.47Å	1.50Å
C12	O13	sing	1.36Å	1.45Å
C14	O15	doub	1.22Å	1.14Å
C27	H1	sing	1.08Å	1.08Å
O13	H2	sing	0.97Å	0.95Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C04	H6	sing	1.08Å	1.08Å
C06	H7	sing	1.09Å	1.10Å
C06	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.08Å	1.08Å
C21	H12	sing	1.08Å	1.08Å
C22	H13	sing	1.08Å	1.08Å
C23	H14	sing	1.08Å	1.08Å
C26	H15	sing	1.08Å	1.08Å
N08	H16	sing	0.97Å	1.00Å
N18	H17	sing	0.97Å	1.00Å
O29	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O29	C28	C27	120.0°	120.1°
O29	C28	C03	119.9°	120.1°
C28	O29	H18	109.5°	114.0°
C28	C27	C26	119.9°	120.0°
C27	C28	C03	120.1°	119.8°
C28	C27	H1	120.0°	120.0°
C27	C26	C05	120.1°	120.1°
C26	C27	H1	120.0°	120.0°
C27	C26	H15	119.9°	119.9°
C28	C03	O02	119.7°	120.1°
C28	C03	C04	119.8°	119.9°
C26	C05	C04	120.0°	120.1°
C26	C05	C06	120.0°	119.9°
C05	C26	H15	120.0°	119.9°
O02	C03	C04	120.5°	120.0°
C03	O02	C01	114.3°	117.0°
C03	C04	C05	120.0°	120.0°
C03	C04	H6	120.0°	120.0°
O02	C01	H3	109.5°	109.5°
O02	C01	H4	109.5°	109.5°
O02	C01	H5	109.5°	109.4°
C04	C05	C06	120.0°	119.9°
C05	C04	H6	120.0°	120.0°
C05	C06	C07	113.1°	109.4°
C05	C06	H7	108.6°	109.5°
C05	C06	H8	108.6°	109.5°
C22	C21	C20	119.8°	120.2°
C21	C22	C23	120.5°	120.3°
C22	C21	H12	120.1°	119.9°
C21	C22	H13	119.8°	119.8°
C21	C20	C19	119.7°	119.8°
C21	C20	H11	120.1°	120.1°
C20	C21	H12	120.1°	119.9°
C06	C07	N08	110.9°	109.4°
C07	C06	H7	108.6°	109.5°
C07	C06	H8	108.6°	109.5°
C06	C07	H9	109.1°	109.5°
C06	C07	H10	109.1°	109.5°
C22	C23	C24	119.8°	120.1°
C23	C22	H13	119.7°	119.9°
C22	C23	H14	120.1°	119.9°
C20	C19	C24	120.4°	119.7°
C20	C19	C17	119.8°	120.1°
C19	C20	H11	120.1°	120.1°
C07	N08	C09	120.1°	120.0°
N08	C07	H9	109.1°	109.4°
N08	C07	H10	109.1°	109.4°
C07	N08	H16	119.9°	120.0°
C23	C24	C19	119.8°	119.8°
C23	C24	F25	119.9°	120.1°
C24	C23	H14	120.1°	119.9°
N08	C09	O10	120.6°	120.0°
N08	C09	C11	119.1°	120.0°
C09	N08	H16	120.0°	120.0°
C24	C19	C17	119.7°	120.2°
C19	C24	F25	120.2°	120.1°
C19	C17	N18	119.9°	118.9°
C19	C17	N16	119.7°	118.9°
C17	N18	C11	119.6°	120.9°
N18	C17	N16	120.4°	122.1°
C17	N18	H17	120.2°	119.5°
N18	C11	C09	119.4°	120.6°
N18	C11	C12	120.0°	118.8°
C11	N18	H17	120.2°	119.5°
O10	C09	C11	120.3°	120.0°
C09	C11	C12	120.7°	120.6°
C17	N16	C14	119.9°	121.0°
C11	C12	C14	119.7°	118.1°
C11	C12	O13	120.2°	120.9°
N16	C14	C12	120.4°	118.9°
N16	C14	O15	119.7°	120.5°
C14	C12	O13	120.1°	121.0°
C12	C14	O15	120.0°	120.5°
C12	O13	H2	109.5°	114.0°
H3	C01	H4	109.5°	109.5°
H3	C01	H5	109.4°	109.5°
H4	C01	H5	109.5°	109.5°
H7	C06	H8	109.4°	109.5°
H9	C07	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O29	C28	C27	C03	180.0°	180.0°
O29	C28	C27	C26	180.0°	180.0°
O29	C28	C03	O02	0.2°	0.0°
O29	C28	C03	C04	179.9°	180.0°
O29	C28	C27	H1	0.0°	0.3°
C28	C27	C26	H1	180.0°	179.8°
C28	C27	C26	C05	0.0°	0.0°
C27	C28	C03	O02	179.8°	180.0°
C27	C28	C03	C04	0.1°	0.0°
C28	C27	C26	H15	180.0°	180.0°
C27	C28	O29	H18	180.0°	90.0°
C26	C27	C28	C03	0.1°	0.0°
C27	C26	C05	H15	180.0°	180.0°
C27	C26	C05	C04	0.1°	0.0°
C27	C26	C05	C06	180.0°	180.0°
C28	C03	O02	C04	179.7°	179.9°
C28	C03	O02	C01	123.2°	180.0°
C28	C03	C04	C05	0.2°	0.1°
C03	C28	C27	H1	180.0°	179.8°
C28	C03	C04	H6	179.8°	180.0°
C03	C28	O29	H18	0.0°	90.0°
C26	C05	C04	C03	0.1°	0.1°
C26	C05	C04	C06	179.9°	180.0°
C26	C05	C06	C07	76.0°	90.0°
C05	C26	C27	H1	180.0°	179.7°
C26	C05	C04	H6	179.9°	179.9°
C26	C05	C06	H7	163.5°	30.0°
C26	C05	C06	H8	44.6°	150.0°
O02	C03	C04	C05	179.9°	180.0°
C03	O02	C01	H3	180.0°	180.0°
C03	O02	C01	H4	60.0°	60.0°
C03	O02	C01	H5	60.0°	60.0°
O02	C03	C04	H6	0.1°	0.1°
C04	C03	O02	C01	57.1°	0.0°
C03	C04	C05	H6	180.0°	179.9°
C03	C04	C05	C06	180.0°	180.0°
O02	C01	H3	H4	120.0°	120.0°
O02	C01	H3	H5	120.0°	119.9°
O02	C01	H4	H5	120.0°	119.9°
C04	C05	C06	C07	104.1°	90.0°
C04	C05	C06	H7	16.4°	150.0°
C04	C05	C06	H8	135.3°	30.0°
C04	C05	C26	H15	179.9°	179.9°
C05	C06	C07	H7	120.6°	120.0°
C05	C06	C07	H8	120.6°	120.0°
C05	C06	C07	N08	35.7°	180.0°
C06	C05	C04	H6	0.1°	0.1°
C05	C06	H7	H8	118.3°	120.0°
C05	C06	C07	H9	155.9°	60.1°
C05	C06	C07	H10	84.5°	60.0°
C06	C05	C26	H15	0.0°	0.0°
C22	C21	C20	H12	180.0°	179.9°
C21	C22	C23	H13	180.0°	179.9°
C22	C21	C20	C19	0.1°	0.1°
C21	C22	C23	C24	0.1°	0.1°
C22	C21	C20	H11	179.9°	180.0°
C21	C22	C23	H14	179.9°	179.9°
C20	C21	C22	C23	0.1°	0.1°
C21	C20	C19	H11	180.0°	179.9°
C21	C20	C19	C24	0.2°	0.0°
C21	C20	C19	C17	179.6°	179.8°
C20	C21	C22	H13	179.9°	180.0°
C06	C07	N08	H9	120.2°	120.0°
C06	C07	N08	H10	120.2°	120.0°
C06	C07	N08	C09	166.7°	180.0°
C07	C06	H7	H8	118.3°	120.0°
C06	C07	H9	H10	119.3°	120.1°
C06	C07	N08	H16	13.3°	0.0°
C22	C23	C24	H14	180.0°	179.9°
C22	C23	C24	C19	0.0°	0.1°
C22	C23	C24	F25	180.0°	179.7°
C23	C22	C21	H12	179.9°	180.0°
C20	C19	C24	C23	0.2°	0.1°
C20	C19	C24	C17	179.4°	179.7°
C20	C19	C24	F25	179.9°	179.7°
C20	C19	C17	N18	16.6°	0.6°
C20	C19	C17	N16	162.8°	179.7°
C19	C20	C21	H12	179.9°	180.0°
C07	N08	C09	H16	180.0°	180.0°
C07	N08	C09	O10	0.1°	5.1°
C07	N08	C09	C11	179.9°	174.9°
N08	C07	C06	H7	84.8°	60.0°
N08	C07	C06	H8	156.3°	60.0°
N08	C07	H9	H10	119.3°	120.0°
C23	C24	C19	F25	180.0°	179.8°
C23	C24	C19	C17	179.5°	179.8°
C24	C23	C22	H13	179.9°	180.0°
N08	C09	C11	N18	36.0°	5.5°
N08	C09	O10	C11	179.8°	180.0°
N08	C09	C11	C12	143.6°	174.7°
C09	N08	C07	H9	73.1°	60.0°
C09	N08	C07	H10	46.5°	60.0°
C24	C19	C17	N18	164.1°	179.7°
C24	C19	C17	N16	16.5°	0.0°
C24	C19	C20	H11	179.8°	180.0°
C19	C24	C23	H14	180.0°	179.9°
C17	C19	C24	F25	0.5°	0.0°
C19	C17	N18	N16	179.4°	179.7°
C19	C17	N18	C11	179.8°	179.7°
C19	C17	N16	C14	179.6°	180.0°
C17	C19	C20	H11	0.4°	0.3°
C19	C17	N18	H17	0.3°	0.3°
F25	C24	C23	H14	0.0°	0.3°
C17	N18	C11	H17	180.0°	179.4°
C17	N18	C11	C09	180.0°	179.7°
C17	N18	C11	C12	0.3°	0.5°
N18	C17	N16	C14	0.1°	0.4°
N18	C11	C09	O10	144.2°	174.5°
N18	C11	C09	C12	179.6°	179.8°
C11	N18	C17	N16	0.4°	0.6°
N18	C11	C12	C14	0.1°	0.2°
N18	C11	C12	O13	179.9°	179.7°
O10	C09	C11	C12	36.2°	5.3°
O10	C09	N08	H16	179.9°	174.9°
C09	C11	C12	C14	179.7°	180.0°
C09	C11	C12	O13	0.3°	0.1°
C11	C09	N08	H16	0.1°	5.1°
C09	C11	N18	H17	0.1°	0.2°
C17	N16	C14	C12	0.1°	0.1°
C17	N16	C14	O15	179.7°	180.0°
N16	C17	N18	H17	179.7°	180.0°
C11	C12	C14	N16	0.1°	0.0°
C11	C12	C14	O13	180.0°	180.0°
C11	C12	C14	O15	179.8°	180.0°
C11	C12	O13	H2	179.9°	180.0°
C12	C11	N18	H17	179.7°	180.0°
N16	C14	C12	O15	179.7°	180.0°
N16	C14	C12	O13	179.9°	180.0°
C14	C12	O13	H2	0.1°	0.0°
O13	C12	C14	O15	0.2°	0.0°
H1	C27	C26	H15	0.0°	0.2°
H3	C01	H4	H5	120.0°	120.1°
H7	C06	C07	H9	35.4°	180.0°
H7	C06	C07	H10	155.0°	59.9°
H8	C06	C07	H9	83.5°	59.9°
H8	C06	C07	H10	36.1°	180.0°
H9	C07	N08	H16	106.9°	120.0°
H10	C07	N08	H16	133.5°	120.0°
H11	C20	C21	H12	0.1°	0.1°
H12	C21	C22	H13	0.1°	0.1°
H13	C22	C23	H14	0.1°	0.1°

Release date:	2021-11-10
Definition date:	2020-11-10
Last modified:	2021-11-05
Release status:	REL
Processing site:	RCSB
Derived from:	7KNY