J2Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N35	C31	doub	1.30Å	1.29Å
C31	N32	sing	1.38Å	1.35Å
C31	C26	sing	1.48Å	1.49Å
C24	C26	doub	1.40Å	1.40Å	Aromatic
C24	C22	sing	1.38Å	1.39Å	Aromatic
C26	C27	sing	1.40Å	1.39Å	Aromatic
C22	C21	doub	1.39Å	1.39Å	Aromatic
C27	C29	doub	1.38Å	1.39Å	Aromatic
C21	C29	sing	1.39Å	1.39Å	Aromatic
C21	N19	sing	1.40Å	1.42Å
N19	C17	sing	1.35Å	1.36Å
O38	C37	sing	1.36Å	1.35Å
C17	O18	doub	1.22Å	1.23Å
C17	C16	sing	1.48Å	1.50Å
C37	C16	doub	1.40Å	1.42Å	Aromatic
C37	C09	sing	1.39Å	1.40Å	Aromatic
O08	C05	sing	1.43Å	1.44Å
O08	C09	sing	1.36Å	1.38Å
C05	C01	sing	1.53Å	1.48Å
C16	C14	sing	1.40Å	1.40Å	Aromatic
C09	C10	doub	1.38Å	1.39Å	Aromatic
C14	C12	doub	1.38Å	1.38Å	Aromatic
C10	C12	sing	1.39Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C22	H2	sing	1.08Å	1.08Å
C24	H3	sing	1.08Å	1.08Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C05	H7	sing	1.09Å	1.10Å
C05	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.08Å	1.08Å
N19	H11	sing	0.97Å	1.00Å
C27	H12	sing	1.08Å	1.08Å
C29	H13	sing	1.08Å	1.08Å
N32	H14	sing	0.97Å	1.00Å
N32	H15	sing	0.97Å	1.00Å
N35	H16	sing	0.97Å	1.00Å
O38	H17	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N35	C31	N32	119.0°	120.0°
N35	C31	C26	123.6°	120.0°
C31	N35	H16	112.0°	120.0°
N32	C31	C26	117.4°	119.9°
C31	N32	H14	120.0°	120.0°
C31	N32	H15	120.0°	120.0°
C31	C26	C24	120.6°	120.0°
C31	C26	C27	120.8°	120.1°
C26	C24	C22	120.7°	119.9°
C24	C26	C27	118.5°	120.0°
C26	C24	H3	119.6°	120.1°
C24	C22	C21	120.5°	120.1°
C24	C22	H2	119.7°	119.9°
C22	C24	H3	119.6°	120.0°
C26	C27	C29	120.9°	119.9°
C26	C27	H12	119.5°	120.1°
C22	C21	C29	119.0°	120.1°
C22	C21	N19	118.5°	119.9°
C21	C22	H2	119.8°	120.0°
C27	C29	C21	120.3°	120.1°
C29	C27	H12	119.5°	120.0°
C27	C29	H13	119.8°	120.0°
C29	C21	N19	122.5°	120.0°
C21	C29	H13	119.8°	120.0°
C21	N19	C17	128.8°	120.0°
C21	N19	H11	115.6°	119.9°
N19	C17	O18	122.9°	120.0°
N19	C17	C16	116.7°	120.0°
C17	N19	H11	115.6°	120.0°
O38	C37	C16	122.0°	120.2°
O38	C37	C09	118.4°	120.2°
C37	O38	H17	109.5°	114.0°
O18	C17	C16	120.4°	119.9°
C17	C16	C37	124.8°	120.2°
C17	C16	C14	116.5°	120.1°
C16	C37	C09	119.6°	119.6°
C37	C16	C14	118.6°	119.7°
C37	C09	O08	114.1°	120.0°
C37	C09	C10	120.4°	120.0°
C05	O08	C09	120.4°	117.0°
O08	C05	C01	107.0°	109.5°
O08	C05	H7	110.1°	109.5°
O08	C05	H8	110.1°	109.5°
O08	C09	C10	125.4°	120.0°
C05	C01	H4	109.5°	109.5°
C05	C01	H5	109.5°	109.5°
C05	C01	H6	109.5°	109.4°
C01	C05	H7	110.1°	109.4°
C01	C05	H8	110.1°	109.5°
C16	C14	C12	120.7°	120.0°
C16	C14	H10	119.7°	120.0°
C09	C10	C12	119.8°	120.3°
C09	C10	H1	120.1°	119.8°
C14	C12	C10	120.8°	120.4°
C14	C12	H9	119.6°	119.8°
C12	C14	H10	119.6°	120.0°
C12	C10	H1	120.1°	119.8°
C10	C12	H9	119.6°	119.8°
H4	C01	H5	109.5°	109.5°
H4	C01	H6	109.5°	109.5°
H5	C01	H6	109.5°	109.5°
H7	C05	H8	109.5°	109.5°
H14	N32	H15	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N35	C31	N32	C26	177.2°	180.0°
N35	C31	C26	C24	26.7°	0.1°
N35	C31	C26	C27	156.0°	180.0°
N35	C31	N32	H14	177.2°	180.0°
N35	C31	N32	H15	2.8°	0.0°
N32	C31	C26	C24	150.4°	180.0°
N32	C31	C26	C27	27.0°	0.1°
C31	N32	H14	H15	180.0°	180.0°
N32	C31	N35	H16	177.0°	180.0°
C31	C26	C24	C27	177.4°	179.9°
C31	C26	C24	C22	178.7°	179.9°
C31	C26	C27	C29	178.3°	179.9°
C31	C26	C24	H3	1.4°	0.0°
C31	C26	C27	H12	1.7°	0.0°
C26	C31	N32	H14	0.0°	0.0°
C26	C31	N32	H15	180.0°	180.0°
C26	C31	N35	H16	0.0°	0.1°
C26	C24	C22	H3	180.0°	179.9°
C26	C24	C22	C21	0.7°	0.0°
C24	C26	C27	C29	0.9°	0.0°
C26	C24	C22	H2	179.3°	179.9°
C24	C26	C27	H12	179.1°	180.0°
C22	C24	C26	C27	1.2°	0.0°
C24	C22	C21	H2	180.0°	179.9°
C24	C22	C21	C29	0.2°	0.0°
C24	C22	C21	N19	177.9°	179.7°
C26	C27	C29	H12	180.0°	180.0°
C26	C27	C29	C21	0.0°	0.0°
C27	C26	C24	H3	178.8°	179.9°
C26	C27	C29	H13	180.0°	179.8°
C22	C21	C29	C27	0.5°	0.0°
C22	C21	C29	N19	177.7°	179.7°
C22	C21	N19	C17	161.5°	33.8°
C21	C22	C24	H3	179.3°	179.9°
C22	C21	N19	H11	18.5°	146.3°
C22	C21	C29	H13	179.5°	179.7°
C27	C29	C21	H13	180.0°	179.8°
C27	C29	C21	N19	178.2°	179.7°
C29	C21	N19	C17	16.2°	146.5°
C29	C21	C22	H2	179.8°	180.0°
C29	C21	N19	H11	163.8°	33.5°
C21	C29	C27	H12	180.0°	180.0°
C21	N19	C17	H11	180.0°	180.0°
C21	N19	C17	O18	2.9°	5.2°
C21	N19	C17	C16	177.2°	174.7°
N19	C21	C22	H2	2.1°	0.3°
N19	C21	C29	H13	1.8°	0.0°
N19	C17	O18	C16	179.9°	180.0°
N19	C17	C16	C37	8.4°	179.4°
N19	C17	C16	C14	176.0°	0.0°
O38	C37	C16	C17	3.2°	0.1°
O38	C37	C16	C09	179.5°	179.7°
O38	C37	C09	O08	3.0°	0.2°
O38	C37	C16	C14	178.7°	179.5°
O38	C37	C09	C10	179.2°	179.7°
O18	C17	C16	C37	171.7°	0.6°
O18	C17	C16	C14	3.8°	180.0°
O18	C17	N19	H11	177.0°	174.7°
C17	C16	C37	C14	175.4°	179.4°
C17	C16	C37	C09	177.2°	179.8°
C17	C16	C14	C12	178.1°	180.0°
C17	C16	C14	H10	1.9°	0.0°
C16	C17	N19	H11	2.8°	5.3°
C16	C37	C09	O08	176.5°	179.5°
C16	C37	C09	C10	0.3°	0.6°
C37	C16	C14	C12	2.3°	0.6°
C37	C16	C14	H10	177.7°	179.4°
C16	C37	O38	H17	180.0°	90.0°
C37	C09	O08	C05	156.9°	180.0°
C37	C09	O08	C10	176.0°	179.9°
C09	C37	C16	C14	1.8°	0.8°
C37	C09	C10	C12	1.9°	0.0°
C37	C09	C10	H1	178.1°	179.7°
C09	C37	O38	H17	0.5°	89.7°
O08	C05	C01	H7	119.6°	120.0°
O08	C05	C01	H8	119.6°	120.1°
C05	O08	C09	C10	27.1°	0.1°
O08	C05	C01	H4	180.0°	180.0°
O08	C05	C01	H5	60.0°	59.9°
O08	C05	C01	H6	60.0°	60.0°
O08	C05	H7	H8	121.1°	120.0°
C09	O08	C05	C01	124.1°	180.0°
O08	C09	C10	C12	177.7°	179.9°
O08	C09	C10	H1	2.3°	0.2°
C09	O08	C05	H7	4.5°	60.1°
C09	O08	C05	H8	116.3°	59.9°
C05	C01	H4	H5	120.0°	120.0°
C05	C01	H4	H6	120.0°	119.9°
C05	C01	H5	H6	120.0°	119.9°
C01	C05	H7	H8	121.2°	120.0°
C16	C14	C12	H10	180.0°	179.9°
C16	C14	C12	C10	0.7°	0.0°
C16	C14	C12	H9	179.3°	180.0°
C09	C10	C12	C14	1.4°	0.2°
C09	C10	C12	H1	180.0°	179.7°
C09	C10	C12	H9	178.6°	179.8°
C14	C12	C10	H9	180.0°	180.0°
C14	C12	C10	H1	178.5°	180.0°
C10	C12	C14	H10	179.3°	179.9°
H1	C10	C12	H9	1.5°	0.0°
H2	C22	C24	H3	0.7°	0.1°
H4	C01	H5	H6	120.0°	120.0°
H4	C01	C05	H7	60.4°	60.0°
H4	C01	C05	H8	60.4°	59.9°
H5	C01	C05	H7	179.6°	60.0°
H5	C01	C05	H8	59.6°	180.0°
H6	C01	C05	H7	59.6°	180.0°
H6	C01	C05	H8	179.6°	60.0°
H9	C12	C14	H10	0.7°	0.1°
H12	C27	C29	H13	0.0°	0.2°

Release date:	2019-02-06
Definition date:	2019-01-16
Last modified:	2019-02-01
Release status:	REL
Processing site:	EBI
Derived from:	6QHA