7MJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	C18	sing	1.51Å	1.47Å
C19	C20	sing	1.51Å	1.49Å
N17	C18	doub	1.31Å	1.32Å	Aromatic
N17	N16	sing	1.29Å	1.37Å	Aromatic
C18	N26	sing	1.33Å	1.36Å	Aromatic
C20	C25	doub	1.38Å	1.38Å	Aromatic
C20	C21	sing	1.38Å	1.39Å	Aromatic
C25	C24	sing	1.38Å	1.38Å	Aromatic
N16	C15	sing	1.35Å	1.32Å	Aromatic
N26	C15	doub	1.32Å	1.36Å	Aromatic
C15	C13	sing	1.48Å	1.42Å
C21	C22	doub	1.38Å	1.38Å	Aromatic
C24	C23	doub	1.38Å	1.38Å	Aromatic
C13	N12	sing	1.35Å	1.38Å
C13	O14	doub	1.22Å	1.22Å
O28	C27	doub	1.21Å	1.22Å
N12	C11	sing	1.46Å	1.44Å
C22	C23	sing	1.38Å	1.38Å	Aromatic
C1	N2	sing	1.47Å	1.45Å
C27	N2	sing	1.35Å	1.39Å
C27	C11	sing	1.51Å	1.51Å
N2	C3	sing	1.40Å	1.43Å
C11	C10	sing	1.54Å	1.51Å
C4	C3	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C3	C8	sing	1.40Å	1.39Å	Aromatic
C10	O9	sing	1.43Å	1.43Å
C5	C6	doub	1.38Å	1.38Å	Aromatic
C8	O9	sing	1.36Å	1.40Å
C8	C7	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.38Å	1.38Å	Aromatic
C23	H1	sing	1.08Å	1.08Å
C22	H2	sing	1.08Å	1.08Å
C24	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C21	H6	sing	1.08Å	1.08Å
C25	H7	sing	1.08Å	1.08Å
C4	H8	sing	1.08Å	1.08Å
C7	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
C19	H16	sing	1.09Å	1.10Å
C19	H17	sing	1.09Å	1.10Å
N16	H18	sing	0.97Å	1.00Å
N12	H19	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C19	C20	112.9°	109.5°
C19	C18	N17	128.5°	125.7°
C19	C18	N26	122.1°	125.8°
C18	C19	H16	108.6°	109.4°
C18	C19	H17	108.6°	109.5°
C19	C20	C25	119.0°	120.0°
C19	C20	C21	120.1°	120.1°
C20	C19	H16	108.6°	109.4°
C20	C19	H17	108.6°	109.5°
C18	N17	N16	107.4°	109.0°
N17	C18	N26	109.4°	108.5°
N17	N16	C15	108.1°	108.1°
N17	N16	H18	125.9°	125.9°
C18	N26	C15	106.0°	107.3°
C25	C20	C21	120.9°	120.0°
C20	C25	C24	118.5°	120.0°
C20	C25	H7	120.8°	120.0°
C20	C21	C22	120.5°	120.0°
C20	C21	H6	119.8°	119.9°
C25	C24	C23	120.9°	120.0°
C25	C24	H3	119.5°	120.0°
C24	C25	H7	120.8°	119.9°
N16	C15	N26	109.0°	107.2°
N16	C15	C13	126.2°	126.4°
C15	N16	H18	125.9°	126.0°
N26	C15	C13	124.9°	126.4°
C15	C13	N12	114.4°	120.0°
C15	C13	O14	121.0°	120.0°
C21	C22	C23	118.8°	120.0°
C21	C22	H2	120.6°	120.0°
C22	C21	H6	119.7°	120.0°
C24	C23	C22	120.5°	120.0°
C24	C23	H1	119.7°	120.0°
C23	C24	H3	119.6°	120.0°
N12	C13	O14	124.5°	120.0°
C13	N12	C11	120.0°	120.0°
C13	N12	H19	120.0°	120.0°
O28	C27	N2	124.2°	120.2°
O28	C27	C11	122.2°	120.2°
N12	C11	C27	109.8°	109.4°
N12	C11	C10	111.8°	109.6°
N12	C11	H12	108.6°	109.3°
C11	N12	H19	120.0°	120.1°
C22	C23	H1	119.8°	120.0°
C23	C22	H2	120.6°	120.0°
C1	N2	C27	118.2°	120.3°
C1	N2	C3	117.9°	120.3°
N2	C1	H13	109.5°	109.5°
N2	C1	H14	109.5°	109.4°
N2	C1	H15	109.5°	109.4°
N2	C27	C11	113.6°	119.7°
C27	N2	C3	122.1°	119.3°
C27	C11	C10	111.0°	110.0°
C27	C11	H12	107.8°	109.4°
N2	C3	C4	121.5°	120.7°
N2	C3	C8	120.1°	119.3°
C11	C10	O9	112.1°	110.3°
C11	C10	H10	108.8°	109.8°
C11	C10	H11	108.8°	108.7°
C10	C11	H12	107.7°	109.2°
C3	C4	C5	121.0°	119.9°
C4	C3	C8	118.4°	120.0°
C3	C4	H8	119.5°	120.1°
C4	C5	C6	119.8°	120.1°
C4	C5	H4	120.1°	120.0°
C5	C4	H8	119.5°	120.0°
C3	C8	O9	119.8°	119.7°
C3	C8	C7	120.9°	119.8°
C10	O9	C8	110.7°	117.2°
O9	C10	H10	108.8°	109.4°
O9	C10	H11	108.8°	109.3°
C5	C6	C7	119.9°	120.3°
C6	C5	H4	120.1°	119.9°
C5	C6	H5	120.0°	119.9°
O9	C8	C7	119.3°	120.5°
C8	C7	C6	119.9°	119.9°
C8	C7	H9	120.0°	120.0°
C7	C6	H5	120.0°	119.9°
C6	C7	H9	120.1°	120.0°
H10	C10	H11	109.5°	109.3°
H13	C1	H14	109.5°	109.5°
H13	C1	H15	109.4°	109.5°
H14	C1	H15	109.5°	109.5°
H16	C19	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C19	C20	H16	120.5°	119.9°
C18	C19	C20	H17	120.5°	120.0°
C19	C18	N17	N26	179.8°	179.6°
C19	C18	N17	N16	179.9°	179.9°
C18	C19	C20	C25	108.1°	90.0°
C18	C19	C20	C21	71.7°	90.4°
C19	C18	N26	C15	179.8°	180.0°
C18	C19	H16	H17	118.4°	120.0°
C20	C19	C18	N17	119.5°	90.5°
C20	C19	C18	N26	60.2°	90.0°
C19	C20	C25	C21	179.8°	179.6°
C19	C20	C25	C24	179.1°	180.0°
C19	C20	C21	C22	179.1°	180.0°
C19	C20	C21	H6	0.9°	0.1°
C19	C20	C25	H7	0.9°	0.1°
C20	C19	H16	H17	118.4°	120.1°
C18	N17	N16	C15	0.2°	0.0°
N17	C18	N26	C15	0.4°	0.4°
N17	C18	C19	H16	120.0°	149.6°
N17	C18	C19	H17	1.0°	29.5°
C18	N17	N16	H18	179.8°	180.0°
N16	N17	C18	N26	0.2°	0.3°
N17	N16	C15	H18	180.0°	180.0°
N17	N16	C15	N26	0.4°	0.2°
N17	N16	C15	C13	179.9°	179.9°
C18	N26	C15	N16	0.5°	0.3°
C18	N26	C15	C13	180.0°	179.9°
N26	C18	C19	H16	60.3°	30.0°
N26	C18	C19	H17	179.3°	150.0°
C20	C25	C24	H7	180.0°	179.9°
C25	C20	C21	C22	0.7°	0.4°
C20	C25	C24	C23	0.2°	0.1°
C20	C25	C24	H3	179.8°	180.0°
C25	C20	C21	H6	179.3°	179.7°
C25	C20	C19	H16	12.4°	150.0°
C25	C20	C19	H17	131.4°	30.0°
C21	C20	C25	C24	0.7°	0.4°
C20	C21	C22	H6	180.0°	179.9°
C20	C21	C22	C23	0.2°	0.1°
C20	C21	C22	H2	179.8°	180.0°
C21	C20	C25	H7	179.3°	179.7°
C21	C20	C19	H16	167.8°	29.5°
C21	C20	C19	H17	48.8°	149.6°
C25	C24	C23	H3	180.0°	179.9°
C25	C24	C23	C22	0.3°	0.2°
C25	C24	C23	H1	179.7°	179.9°
N16	C15	N26	C13	179.5°	179.7°
N16	C15	C13	N12	6.0°	180.0°
N16	C15	C13	O14	173.8°	0.0°
N26	C15	C13	N12	174.7°	0.3°
N26	C15	C13	O14	5.6°	179.7°
N26	C15	N16	H18	179.6°	179.8°
C15	C13	N12	O14	179.7°	179.9°
C15	C13	N12	C11	175.4°	180.0°
C13	C15	N16	H18	0.1°	0.0°
C15	C13	N12	H19	4.6°	0.0°
C21	C22	C23	C24	0.3°	0.2°
C21	C22	C23	H2	180.0°	180.0°
C21	C22	C23	H1	179.7°	180.0°
C24	C23	C22	H1	180.0°	179.7°
C24	C23	C22	H2	179.7°	179.7°
C23	C24	C25	H7	179.8°	180.0°
C13	N12	C11	H19	180.0°	180.0°
C13	N12	C11	C27	156.7°	85.0°
C13	N12	C11	C10	79.7°	154.3°
C13	N12	C11	H12	39.0°	34.7°
O14	C13	N12	C11	4.4°	0.0°
O14	C13	N12	H19	175.7°	180.0°
O28	C27	C11	N12	24.3°	14.6°
O28	C27	N2	C1	1.3°	3.6°
O28	C27	N2	C11	179.6°	179.9°
O28	C27	N2	C3	163.2°	176.4°
O28	C27	C11	C10	99.8°	105.9°
O28	C27	C11	H12	142.4°	134.2°
N12	C11	C27	N2	155.4°	165.4°
N12	C11	C27	C10	124.1°	120.4°
N12	C11	C27	H12	118.2°	119.7°
N12	C11	C10	H12	119.3°	119.7°
N12	C11	C10	O9	161.1°	163.7°
N12	C11	C10	H10	78.5°	75.7°
N12	C11	C10	H11	40.7°	43.8°
C22	C23	C24	H3	179.7°	179.7°
C23	C22	C21	H6	179.8°	180.0°
C1	N2	C27	C3	164.5°	180.0°
C1	N2	C27	C11	178.3°	176.4°
C1	N2	C3	C4	55.6°	48.5°
C1	N2	C3	C8	126.2°	130.8°
N2	C1	H13	H14	120.0°	120.0°
N2	C1	H13	H15	120.0°	120.0°
N2	C1	H14	H15	120.0°	119.9°
N2	C27	C11	C10	80.6°	74.2°
C27	N2	C3	C4	139.8°	131.5°
C27	N2	C3	C8	38.3°	49.3°
N2	C27	C11	H12	37.2°	45.7°
C27	N2	C1	H13	180.0°	0.0°
C27	N2	C1	H14	60.0°	120.0°
C27	N2	C1	H15	60.0°	120.0°
C11	C27	N2	C3	17.2°	3.6°
C27	C11	C10	H12	117.8°	120.0°
C27	C11	C10	O9	38.2°	43.4°
C27	C11	C10	H10	158.6°	164.0°
C27	C11	C10	H11	82.2°	76.5°
C27	C11	N12	H19	23.3°	95.0°
N2	C3	C4	C8	178.2°	179.2°
N2	C3	C4	C5	178.5°	179.6°
N2	C3	C8	O9	2.9°	1.1°
N2	C3	C8	C7	178.8°	179.8°
N2	C3	C4	H8	1.5°	0.4°
C3	N2	C1	H13	14.8°	180.0°
C3	N2	C1	H14	105.2°	59.9°
C3	N2	C1	H15	134.8°	60.0°
C11	C10	O9	H10	120.4°	120.8°
C11	C10	O9	H11	120.4°	119.5°
C11	C10	O9	C8	53.0°	44.3°
C11	C10	H10	H11	118.8°	119.2°
C10	C11	N12	H19	100.3°	25.7°
C3	C4	C5	H8	180.0°	179.9°
C3	C4	C5	C6	0.1°	0.1°
C4	C3	C8	O9	178.9°	179.6°
C4	C3	C8	C7	0.6°	0.6°
C3	C4	C5	H4	179.9°	179.7°
C5	C4	C3	C8	0.3°	0.4°
C4	C5	C6	H4	180.0°	179.8°
C4	C5	C6	C7	0.2°	0.1°
C4	C5	C6	H5	179.8°	179.9°
C3	C8	O9	C10	78.5°	75.3°
C3	C8	O9	C7	178.3°	179.1°
C3	C8	C7	C6	0.7°	0.4°
C8	C3	C4	H8	179.7°	179.7°
C3	C8	C7	H9	179.3°	179.6°
C10	O9	C8	C7	103.2°	103.8°
O9	C10	H10	H11	118.8°	119.6°
O9	C10	C11	H12	79.7°	76.6°
C5	C6	C7	C8	0.5°	0.0°
C5	C6	C7	H5	180.0°	180.0°
C6	C5	C4	H8	179.9°	180.0°
C5	C6	C7	H9	179.5°	180.0°
O9	C8	C7	C6	179.0°	179.4°
O9	C8	C7	H9	1.0°	0.6°
C8	O9	C10	H10	67.4°	76.5°
C8	O9	C10	H11	173.4°	163.9°
C8	C7	C6	H9	180.0°	180.0°
C8	C7	C6	H5	179.5°	180.0°
C7	C6	C5	H4	179.8°	179.9°
H1	C23	C22	H2	0.3°	0.0°
H1	C23	C24	H3	0.3°	0.0°
H2	C22	C21	H6	0.2°	0.1°
H3	C24	C25	H7	0.2°	0.1°
H4	C5	C6	H5	0.2°	0.1°
H4	C5	C4	H8	0.1°	0.2°
H5	C6	C7	H9	0.5°	0.0°
H10	C10	C11	H12	40.7°	44.0°
H11	C10	C11	H12	160.0°	163.5°
H12	C11	N12	H19	141.0°	145.3°
H13	C1	H14	H15	120.0°	120.1°

Release date:	2017-07-05
Definition date:	2016-11-16
Last modified:	2017-06-30
Release status:	REL
Processing site:	RCSB
Derived from:	5TX5