Summary Geometry PCM/PTM Related PDB entries

MM2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CU1	N4	sing	2.16Å	2.03Å
CU1	N7	sing	2.05Å	2.02Å
CU1	N11	sing	2.10Å	2.02Å
CU1	N14	sing	2.09Å	2.02Å
C1	C2	sing	1.51Å	1.53Å
C1	N14	sing	1.47Å	1.48Å
C1	H11A	sing	0.98Å	1.10Å
C1	H12	sing	0.98Å	1.10Å
C2	C3	sing	1.54Å	1.52Å
C2	H21A	sing	0.98Å	1.10Å
C2	H22	sing	0.98Å	1.10Å
C3	N4	sing	1.50Å	1.48Å
C3	H31	sing	0.98Å	1.10Å
C3	H32	sing	0.98Å	1.10Å
N4	C5	sing	1.50Å	1.49Å
N4	C28	sing	1.50Å	43.08Å
C5	C6	sing	1.52Å	1.51Å
C5	H51	sing	0.98Å	1.10Å
C5	H52	sing	0.98Å	1.10Å
C6	N7	sing	1.47Å	1.49Å
C6	H61	sing	0.98Å	1.10Å
C6	H62	sing	0.98Å	1.10Å
N7	C8	sing	1.47Å	1.49Å
N7	HN7	sing	0.91Å	1.00Å
C8	C9	sing	1.51Å	1.53Å
C8	H81	sing	0.98Å	1.10Å
C8	H82	sing	0.98Å	1.10Å
C9	C10	sing	1.52Å	1.52Å
C9	H91	sing	0.98Å	1.10Å
C9	H92	sing	0.98Å	1.10Å
C10	N11	sing	1.47Å	1.48Å
C10	H101	sing	0.98Å	1.10Å
C10	H102	sing	0.98Å	1.10Å
N11	C12	sing	1.48Å	1.48Å
N11	H11	sing	0.92Å	1.00Å
C12	C13	sing	1.50Å	1.51Å
C12	H121	sing	0.98Å	1.10Å
C12	H122	sing	0.98Å	1.10Å
C13	N14	sing	1.47Å	1.48Å
C13	H131	sing	0.98Å	1.10Å
C13	H132	sing	0.98Å	1.10Å
N14	H14	sing	0.93Å	1.00Å
CU2	N1	sing	2.14Å	0.00Å
CU2	N2	sing	2.07Å	0.00Å
CU2	N3	sing	2.11Å	0.00Å
CU2	N5	sing	2.08Å	0.00Å
C4	C7	sing	1.52Å	0.00Å
C4	N5	sing	1.47Å	0.00Å
C4	H41	sing	0.98Å	0.00Å
C4	H42	sing	0.98Å	0.00Å
C7	C11	sing	1.52Å	0.00Å
C7	H71	sing	0.98Å	0.00Å
C7	H72	sing	0.98Å	0.00Å
C11	N1	sing	1.51Å	0.00Å
C11	H111	sing	0.98Å	0.00Å
C11	H112	sing	0.98Å	0.00Å
N1	C14	sing	1.49Å	0.00Å
N1	C27	sing	1.49Å	0.00Å
C14	C15	sing	1.52Å	0.00Å
C14	H141	sing	0.98Å	0.00Å
C14	H142	sing	0.98Å	0.00Å
C15	N2	sing	1.48Å	0.00Å
C15	H151	sing	0.98Å	0.00Å
C15	H152	sing	0.98Å	0.00Å
N2	C16	sing	1.47Å	0.00Å
N2	HN2	sing	0.93Å	0.00Å
C16	C17	sing	1.52Å	0.00Å
C16	H161	sing	0.98Å	0.00Å
C16	H162	sing	0.98Å	0.00Å
C17	C18	sing	1.52Å	0.00Å
C17	H171	sing	0.98Å	0.00Å
C17	H172	sing	0.98Å	0.00Å
C18	N3	sing	1.47Å	0.00Å
C18	H181	sing	0.98Å	0.00Å
C18	H182	sing	0.98Å	0.00Å
N3	C19	sing	1.47Å	0.00Å
N3	HN3	sing	0.93Å	0.00Å
C19	C20	sing	1.51Å	0.00Å
C19	H191	sing	0.98Å	0.00Å
C19	H192	sing	0.98Å	0.00Å
C20	N5	sing	1.47Å	0.00Å
C20	H201	sing	0.98Å	0.00Å
C20	H202	sing	0.98Å	0.00Å
N5	HN5	sing	0.93Å	0.00Å
C21	C22	sing	1.39Å	0.00Å	Aromatic
C21	C26	doub	1.39Å	0.00Å	Aromatic
C21	H21	sing	0.94Å	0.00Å
C22	C23	doub	1.39Å	0.00Å	Aromatic
C22	C27	sing	1.52Å	0.00Å
C23	C24	sing	1.38Å	0.00Å	Aromatic
C23	H23	sing	0.94Å	0.00Å
C24	C25	doub	1.39Å	0.00Å	Aromatic
C24	H24	sing	0.94Å	0.00Å
C25	C26	sing	1.39Å	0.00Å	Aromatic
C25	C28	sing	1.52Å	0.00Å
C26	H26	sing	0.94Å	0.00Å
C27	H271	sing	0.99Å	0.00Å
C27	H272	sing	1.00Å	0.00Å
C28	H281	sing	0.99Å	0.00Å
C28	H282	sing	1.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N4	CU1	N7	86.2°	82.2°
N4	CU1	N11	178.9°	177.8°
N4	CU1	N14	93.4°	106.5°
CU1	N4	C3	119.4°	101.3°
CU1	N4	C5	108.1°	98.6°
CU1	N4	C28	81.9°	122.2°
N7	CU1	N11	94.6°	95.9°
N7	CU1	N14	179.7°	167.4°
CU1	N7	C6	106.3°	101.9°
CU1	N7	C8	116.7°	124.3°
CU1	N7	HN7	103.4°	101.5°
N11	CU1	N14	85.7°	75.6°
CU1	N11	C10	117.3°	118.8°
CU1	N11	C12	106.8°	108.4°
CU1	N11	H11	103.8°	100.5°
CU1	N14	C1	116.0°	117.8°
CU1	N14	C13	106.7°	106.5°
CU1	N14	H14	103.7°	103.3°
C2	C1	N14	111.0°	111.3°
C2	C1	H11A	109.1°	109.3°
C2	C1	H12	109.1°	109.2°
C1	C2	C3	113.1°	115.2°
C1	C2	H21A	108.6°	108.3°
C1	C2	H22	108.6°	108.5°
N14	C1	H11A	109.1°	110.2°
N14	C1	H12	109.1°	109.0°
C1	N14	C13	112.1°	114.7°
C1	N14	H14	108.9°	105.6°
H11A	C1	H12	109.4°	107.7°
C3	C2	H21A	108.5°	109.3°
C3	C2	H22	108.6°	108.5°
C2	C3	N4	110.8°	117.9°
C2	C3	H31	109.1°	107.7°
C2	C3	H32	109.2°	107.2°
H21A	C2	H22	109.5°	106.6°
N4	C3	H31	109.1°	108.4°
N4	C3	H32	109.2°	108.9°
C3	N4	C5	112.5°	111.6°
C3	N4	C28	37.8°	110.2°
H31	C3	H32	109.5°	106.1°
C5	N4	C28	126.6°	112.1°
N4	C5	C6	107.1°	115.8°
N4	C5	H51	110.1°	109.4°
N4	C5	H52	110.0°	109.8°
N4	C28	C25	90.0°	123.6°
N4	C28	H281	90.0°	107.5°
N4	C28	H282	90.0°	107.3°
C6	C5	H51	110.1°	107.9°
C6	C5	H52	110.1°	107.1°
C5	C6	N7	110.1°	114.0°
C5	C6	H61	109.3°	108.7°
C5	C6	H62	109.3°	108.6°
H51	C5	H52	109.5°	106.5°
N7	C6	H61	109.3°	108.9°
N7	C6	H62	109.3°	109.1°
C6	N7	C8	113.1°	115.4°
C6	N7	HN7	108.4°	108.3°
H61	C6	H62	109.4°	107.4°
C8	N7	HN7	108.4°	103.8°
N7	C8	C9	113.9°	113.6°
N7	C8	H81	108.3°	108.8°
N7	C8	H82	108.4°	109.7°
C9	C8	H81	108.3°	108.9°
C9	C8	H82	108.3°	108.9°
C8	C9	C10	114.5°	114.8°
C8	C9	H91	108.2°	108.6°
C8	C9	H92	108.2°	108.7°
H81	C8	H82	109.5°	106.8°
C10	C9	H91	108.2°	108.6°
C10	C9	H92	108.2°	109.0°
C9	C10	N11	110.0°	112.9°
C9	C10	H101	109.3°	109.4°
C9	C10	H102	109.3°	109.0°
H91	C9	H92	109.5°	106.9°
N11	C10	H101	109.4°	108.8°
N11	C10	H102	109.4°	109.7°
C10	N11	C12	110.7°	115.3°
C10	N11	H11	109.0°	105.1°
H101	C10	H102	109.4°	106.9°
C12	N11	H11	109.0°	107.0°
N11	C12	C13	107.7°	111.2°
N11	C12	H121	109.9°	109.4°
N11	C12	H122	109.9°	110.2°
C13	C12	H121	109.9°	109.2°
C13	C12	H122	109.9°	108.8°
C12	C13	N14	107.7°	110.9°
C12	C13	H131	109.9°	109.2°
C12	C13	H132	109.9°	108.9°
H121	C12	H122	109.5°	107.9°
N14	C13	H131	109.9°	109.7°
N14	C13	H132	109.9°	110.1°
C13	N14	H14	108.9°	108.0°
H131	C13	H132	109.5°	108.1°
N1	CU2	N2	90.0°	88.4°
N1	CU2	N3	90.0°	173.9°
N1	CU2	N5	90.0°	107.9°
CU2	N1	C11	90.0°	106.9°
CU2	N1	C14	90.0°	102.4°
CU2	N1	C27	90.0°	110.2°
N2	CU2	N3	90.0°	95.6°
N2	CU2	N5	90.0°	139.5°
CU2	N2	C15	90.0°	106.1°
CU2	N2	C16	90.0°	116.3°
CU2	N2	HN2	90.0°	103.9°
N3	CU2	N5	90.0°	71.9°
CU2	N3	C18	90.0°	112.4°
CU2	N3	C19	90.0°	104.6°
CU2	N3	HN3	90.0°	109.9°
CU2	N5	C4	90.0°	111.1°
CU2	N5	C20	90.0°	105.9°
CU2	N5	HN5	90.0°	109.5°
C7	C4	N5	90.0°	110.6°
C7	C4	H41	90.0°	109.2°
C7	C4	H42	90.0°	109.9°
C4	C7	C11	90.0°	115.3°
C4	C7	H71	90.0°	108.5°
C4	C7	H72	90.0°	108.8°
N5	C4	H41	90.0°	109.1°
N5	C4	H42	90.0°	110.2°
C4	N5	C20	90.0°	116.8°
C4	N5	HN5	90.0°	105.1°
H41	C4	H42	90.0°	107.7°
C11	C7	H71	90.0°	108.5°
C11	C7	H72	90.0°	108.7°
C7	C11	N1	90.0°	117.0°
C7	C11	H111	90.0°	107.3°
C7	C11	H112	90.0°	107.8°
H71	C7	H72	90.0°	106.7°
N1	C11	H111	90.0°	109.2°
N1	C11	H112	90.0°	108.8°
C11	N1	C14	90.0°	112.4°
C11	N1	C27	90.0°	108.7°
H111	C11	H112	90.0°	106.2°
C14	N1	C27	90.0°	115.7°
N1	C14	C15	90.0°	115.3°
N1	C14	H141	90.0°	109.2°
N1	C14	H142	90.0°	109.2°
N1	C27	C22	90.0°	125.9°
N1	C27	H271	90.0°	106.0°
N1	C27	H272	90.0°	106.8°
C15	C14	H141	90.0°	108.5°
C15	C14	H142	90.0°	107.3°
C14	C15	N2	90.0°	112.9°
C14	C15	H151	90.0°	108.6°
C14	C15	H152	90.0°	108.9°
H141	C14	H142	90.0°	106.9°
N2	C15	H151	90.0°	109.8°
N2	C15	H152	90.0°	108.9°
C15	N2	C16	90.0°	114.2°
C15	N2	HN2	90.0°	107.0°
H151	C15	H152	90.0°	107.6°
C16	N2	HN2	90.0°	108.4°
N2	C16	C17	90.0°	113.9°
N2	C16	H161	90.0°	109.3°
N2	C16	H162	90.0°	108.9°
C17	C16	H161	90.0°	108.7°
C17	C16	H162	90.0°	108.6°
C16	C17	C18	90.0°	115.6°
C16	C17	H171	90.0°	108.5°
C16	C17	H172	90.0°	108.5°
H161	C16	H162	90.0°	107.1°
C18	C17	H171	90.0°	108.5°
C18	C17	H172	90.0°	108.7°
C17	C18	N3	90.0°	111.6°
C17	C18	H181	90.0°	109.6°
C17	C18	H182	90.0°	109.0°
H171	C17	H172	90.0°	106.5°
N3	C18	H181	90.0°	109.5°
N3	C18	H182	90.0°	109.2°
C18	N3	C19	90.0°	115.9°
C18	N3	HN3	90.0°	106.6°
H181	C18	H182	90.0°	107.8°
C19	N3	HN3	90.0°	107.4°
N3	C19	C20	90.0°	109.0°
N3	C19	H191	90.0°	110.4°
N3	C19	H192	90.0°	109.9°
C20	C19	H191	90.0°	109.4°
C20	C19	H192	90.0°	109.7°
C19	C20	N5	90.0°	108.6°
C19	C20	H201	90.0°	109.4°
C19	C20	H202	90.0°	109.7°
H191	C19	H192	90.0°	108.4°
N5	C20	H201	90.0°	110.7°
N5	C20	H202	90.0°	110.0°
C20	N5	HN5	90.0°	108.3°
H201	C20	H202	90.0°	108.5°
C22	C21	C26	90.0°	121.0°
C22	C21	H21	90.0°	119.5°
C21	C22	C23	90.0°	117.7°
C21	C22	C27	90.0°	121.3°
C26	C21	H21	90.0°	119.5°
C21	C26	C25	90.0°	121.1°
C21	C26	H26	90.0°	119.5°
C23	C22	C27	90.0°	120.8°
C22	C23	C24	90.0°	121.2°
C22	C23	H23	90.0°	119.4°
C22	C27	H271	90.0°	106.2°
C22	C27	H272	90.0°	104.9°
C24	C23	H23	90.0°	119.3°
C23	C24	C25	90.0°	121.1°
C23	C24	H24	90.0°	119.4°
C25	C24	H24	90.0°	119.5°
C24	C25	C26	90.0°	117.7°
C24	C25	C28	90.0°	120.4°
C26	C25	C28	90.0°	121.7°
C25	C26	H26	90.0°	119.4°
C25	C28	H281	90.0°	105.5°
C25	C28	H282	90.0°	106.5°
H271	C27	H272	90.0°	105.5°
H281	C28	H282	90.0°	105.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	CU1	N7	N11	179.3°	178.7°
N4	CU1	N7	N14	12.4°	134.4°
N4	CU1	N11	N14	41.9°	155.7°
N4	CU1	N14	C1	39.5°	5.2°
CU1	N4	C3	C2	53.8°	51.6°
CU1	N4	C3	C5	128.3°	104.1°
CU1	N4	C3	C28	7.0°	130.7°
CU1	N4	C3	H31	174.0°	174.2°
CU1	N4	C3	H32	66.4°	70.8°
CU1	N4	C5	C28	93.3°	130.0°
CU1	N4	C5	C6	37.2°	31.4°
CU1	N4	C5	H51	156.9°	153.5°
CU1	N4	C5	H52	82.4°	90.0°
N4	CU1	N7	C6	15.3°	44.8°
N4	CU1	N7	C8	142.4°	177.2°
N4	CU1	N7	HN7	98.8°	67.0°
N4	CU1	N11	C10	97.1°	28.5°
N4	CU1	N11	C12	27.6°	162.7°
N4	CU1	N11	H11	142.7°	85.3°
N4	CU1	N14	C13	165.3°	135.6°
N4	CU1	N14	H14	79.8°	110.7°
CU1	N4	C28	C25	90.0°	47.4°
CU1	N4	C28	H281	90.0°	75.6°
CU1	N4	C28	H282	90.0°	171.8°
N7	CU1	N11	N14	179.9°	170.5°
N7	CU1	N14	C1	27.2°	127.2°
N7	CU1	N4	C3	142.9°	156.2°
N7	CU1	N4	C5	12.6°	42.0°
N7	CU1	N4	C28	138.5°	81.0°
CU1	N7	C6	C5	40.7°	38.2°
CU1	N7	C6	C8	129.3°	137.6°
CU1	N7	C6	HN7	110.6°	106.5°
CU1	N7	C6	H61	79.4°	159.7°
CU1	N7	C6	H62	160.8°	83.4°
CU1	N7	C8	HN7	116.1°	114.7°
CU1	N7	C8	C9	52.9°	22.4°
CU1	N7	C8	H81	67.8°	99.0°
CU1	N7	C8	H82	173.5°	144.6°
N7	CU1	N11	C10	41.0°	5.3°
N7	CU1	N11	C12	165.8°	128.9°
N7	CU1	N11	H11	79.2°	119.1°
N7	CU1	N14	C13	152.9°	3.2°
N7	CU1	N14	H14	92.1°	116.9°
N11	CU1	N14	C1	141.2°	175.8°
N11	CU1	N4	C3	78.9°	169.9°
N11	CU1	N4	C5	150.8°	75.9°
N11	CU1	N4	C28	83.2°	47.1°
N11	CU1	N7	C6	164.0°	136.5°
N11	CU1	N7	C8	36.8°	4.0°
N11	CU1	N7	HN7	82.0°	111.8°
CU1	N11	C10	C9	59.3°	40.7°
CU1	N11	C10	C12	122.8°	131.2°
CU1	N11	C10	H11	117.4°	111.3°
CU1	N11	C10	H101	60.8°	80.9°
CU1	N11	C10	H102	179.4°	162.5°
CU1	N11	C12	H11	111.5°	107.6°
CU1	N11	C12	C13	40.9°	29.9°
CU1	N11	C12	H121	78.8°	150.7°
CU1	N11	C12	H122	160.6°	90.9°
N11	CU1	N14	C13	15.5°	45.4°
N11	CU1	N14	H14	99.5°	68.3°
CU1	N14	C1	C2	60.8°	28.0°
CU1	N14	C1	C13	122.9°	126.6°
CU1	N14	C1	H14	116.4°	114.7°
CU1	N14	C1	H11A	59.5°	93.4°
CU1	N14	C1	H12	179.0°	148.6°
N14	CU1	N4	C3	37.1°	14.5°
N14	CU1	N4	C5	167.4°	128.6°
N14	CU1	N4	C28	41.4°	108.3°
N14	CU1	N7	C6	27.7°	89.6°
N14	CU1	N7	C8	154.8°	42.8°
N14	CU1	N7	HN7	86.4°	158.6°
N14	CU1	N11	C10	139.0°	175.8°
N14	CU1	N11	C12	14.3°	41.6°
N14	CU1	N11	H11	100.8°	70.4°
CU1	N14	C13	C12	41.9°	41.4°
CU1	N14	C13	H14	111.4°	110.5°
CU1	N14	C13	H131	161.6°	162.1°
CU1	N14	C13	H132	77.8°	79.1°
C2	C1	N14	H11A	120.2°	121.4°
C2	C1	N14	H12	120.3°	120.6°
C2	C1	H11A	H12	119.3°	118.6°
C1	C2	C3	H21A	120.6°	122.2°
C1	C2	C3	H22	120.5°	121.9°
C1	C2	H21A	H22	118.4°	116.7°
C1	C2	C3	N4	69.1°	92.2°
C1	C2	C3	H31	170.7°	144.9°
C1	C2	C3	H32	51.1°	31.1°
C2	C1	N14	C13	176.3°	154.6°
C2	C1	N14	H14	55.7°	86.6°
N14	C1	H11A	H12	119.3°	118.8°
N14	C1	C2	C3	74.3°	69.4°
N14	C1	C2	H21A	46.2°	53.3°
N14	C1	C2	H22	165.1°	168.7°
C1	N14	C13	C12	170.0°	173.6°
C1	N14	C13	H14	120.6°	117.4°
C1	N14	C13	H131	70.3°	65.7°
C1	N14	C13	H132	50.2°	53.1°
H11A	C1	C2	C3	45.9°	52.5°
H11A	C1	C2	H21A	166.5°	175.3°
H11A	C1	C2	H22	74.6°	69.3°
H11A	C1	N14	C13	63.5°	33.2°
H11A	C1	N14	H14	175.9°	152.0°
H12	C1	C2	C3	165.4°	170.2°
H12	C1	C2	H21A	74.0°	67.1°
H12	C1	C2	H22	44.9°	48.3°
H12	C1	N14	C13	56.0°	84.8°
H12	C1	N14	H14	64.6°	33.9°
C3	C2	H21A	H22	118.3°	117.1°
C2	C3	N4	H31	120.2°	122.6°
C2	C3	N4	H32	120.2°	122.4°
C2	C3	H31	H32	119.4°	114.6°
C2	C3	N4	C5	177.9°	155.7°
C2	C3	N4	C28	60.9°	79.2°
H21A	C2	C3	N4	51.4°	30.0°
H21A	C2	C3	H31	68.8°	92.9°
H21A	C2	C3	H32	171.6°	153.3°
H22	C2	C3	N4	170.3°	145.9°
H22	C2	C3	H31	50.1°	23.0°
H22	C2	C3	H32	69.5°	90.8°
N4	C3	H31	H32	119.4°	116.8°
C3	N4	C5	C28	40.7°	124.1°
C3	N4	C5	C6	171.2°	137.2°
C3	N4	C5	H51	69.1°	100.7°
C3	N4	C5	H52	51.6°	15.8°
C3	N4	C28	C25	90.0°	166.0°
C3	N4	C28	H281	90.0°	43.0°
C3	N4	C28	H282	90.0°	69.6°
H31	C3	N4	C5	57.7°	81.7°
H31	C3	N4	C28	179.0°	43.4°
H32	C3	N4	C5	61.9°	33.3°
H32	C3	N4	C28	59.4°	158.4°
N4	C5	C6	H51	119.7°	122.9°
N4	C5	C6	H52	119.6°	122.8°
N4	C5	H51	H52	121.1°	118.6°
N4	C5	C6	N7	52.6°	3.0°
N4	C5	C6	H61	67.5°	124.7°
N4	C5	C6	H62	172.7°	118.9°
C5	N4	C28	C25	90.0°	69.1°
C5	N4	C28	H281	90.0°	167.9°
C5	N4	C28	H282	90.0°	55.2°
C28	N4	C5	C6	130.5°	98.7°
C28	N4	C5	H51	109.8°	23.4°
C28	N4	C5	H52	10.9°	139.9°
N4	C28	C25	C24	90.0°	96.9°
N4	C28	C25	C26	90.0°	88.1°
N4	C28	C25	H281	90.0°	123.9°
N4	C28	C25	H282	90.0°	124.7°
N4	C28	H281	H282	90.0°	114.1°
C6	C5	H51	H52	121.1°	114.7°
C5	C6	N7	H61	120.1°	121.6°
C5	C6	N7	H62	120.1°	121.5°
C5	C6	H61	H62	119.7°	117.3°
C5	C6	N7	C8	170.0°	175.8°
C5	C6	N7	HN7	69.9°	68.4°
H51	C5	C6	N7	172.3°	119.9°
H51	C5	C6	H61	52.2°	1.8°
H51	C5	C6	H62	67.6°	118.3°
H52	C5	C6	N7	67.0°	125.8°
H52	C5	C6	H61	172.9°	112.5°
H52	C5	C6	H62	53.1°	4.0°
N7	C6	H61	H62	119.7°	118.0°
C6	N7	C8	HN7	120.2°	118.4°
C6	N7	C8	C9	176.6°	104.5°
C6	N7	C8	H81	56.0°	134.0°
C6	N7	C8	H82	62.7°	17.6°
H61	C6	N7	C8	49.9°	62.7°
H61	C6	N7	HN7	170.0°	53.2°
H62	C6	N7	C8	69.9°	54.2°
H62	C6	N7	HN7	50.2°	170.1°
N7	C8	C9	H81	120.7°	121.4°
N7	C8	C9	H82	120.7°	122.6°
N7	C8	H81	H82	118.0°	118.3°
N7	C8	C9	C10	68.0°	65.4°
N7	C8	C9	H91	171.2°	172.9°
N7	C8	C9	H92	52.7°	56.9°
HN7	N7	C8	C9	63.2°	137.1°
HN7	N7	C8	H81	176.2°	15.7°
HN7	N7	C8	H82	57.5°	100.8°
C9	C8	H81	H82	118.0°	117.4°
C8	C9	C10	H91	120.8°	121.7°
C8	C9	C10	H92	120.8°	122.2°
C8	C9	H91	H92	117.7°	117.1°
C8	C9	C10	N11	70.1°	77.1°
C8	C9	C10	H101	50.1°	44.2°
C8	C9	C10	H102	169.8°	160.8°
H81	C8	C9	C10	52.6°	55.9°
H81	C8	C9	H91	68.1°	65.8°
H81	C8	C9	H92	173.4°	178.3°
H82	C8	C9	C10	171.3°	171.9°
H82	C8	C9	H91	50.6°	50.2°
H82	C8	C9	H92	67.9°	65.7°
C10	C9	H91	H92	117.7°	117.5°
C9	C10	N11	H101	120.1°	121.6°
C9	C10	N11	H102	120.1°	121.8°
C9	C10	H101	H102	119.7°	118.0°
C9	C10	N11	C12	177.9°	90.4°
C9	C10	N11	H11	58.1°	152.0°
H91	C9	C10	N11	169.2°	161.2°
H91	C9	C10	H101	70.7°	77.5°
H91	C9	C10	H102	49.1°	39.1°
H92	C9	C10	N11	50.7°	45.1°
H92	C9	C10	H101	170.8°	166.4°
H92	C9	C10	H102	69.4°	77.0°
N11	C10	H101	H102	119.8°	118.3°
C10	N11	C12	H11	119.8°	116.5°
C10	N11	C12	C13	169.6°	165.9°
C10	N11	C12	H121	49.9°	73.4°
C10	N11	C12	H122	70.7°	45.1°
H101	C10	N11	C12	62.0°	147.9°
H101	C10	N11	H11	178.2°	30.4°
H102	C10	N11	C12	57.8°	31.3°
H102	C10	N11	H11	62.0°	86.2°
N11	C12	C13	H121	119.7°	120.9°
N11	C12	C13	H122	119.7°	121.6°
N11	C12	H121	H122	120.8°	119.9°
N11	C12	C13	N14	56.1°	7.5°
N11	C12	C13	H131	175.8°	128.5°
N11	C12	C13	H132	63.7°	113.8°
H11	N11	C12	C13	70.6°	77.7°
H11	N11	C12	H121	169.7°	43.1°
H11	N11	C12	H122	49.1°	161.5°
C13	C12	H121	H122	120.8°	118.1°
C12	C13	N14	H131	119.7°	120.7°
C12	C13	N14	H132	119.7°	120.5°
C12	C13	H131	H132	120.8°	118.3°
C12	C13	N14	H14	69.4°	69.0°
H121	C12	C13	N14	63.7°	113.4°
H121	C12	C13	H131	56.0°	7.6°
H121	C12	C13	H132	176.6°	125.4°
H122	C12	C13	N14	175.8°	129.1°
H122	C12	C13	H131	64.5°	109.9°
H122	C12	C13	H132	56.1°	7.8°
N14	C13	H131	H132	120.8°	120.0°
H131	C13	N14	H14	50.3°	51.7°
H132	C13	N14	H14	170.8°	170.4°
N1	CU2	N2	N3	90.0°	175.3°
N1	CU2	N2	N5	90.0°	116.2°
N1	CU2	N3	N5	90.0°	89.6°
N1	CU2	N5	C4	90.0°	6.4°
CU2	N1	C11	C7	90.0°	21.3°
CU2	N1	C11	C14	90.0°	111.6°
CU2	N1	C11	C27	90.0°	119.0°
CU2	N1	C11	H111	90.0°	100.8°
CU2	N1	C11	H112	90.0°	143.7°
CU2	N1	C14	C27	90.0°	119.9°
CU2	N1	C14	C15	90.0°	32.0°
CU2	N1	C14	H141	90.0°	154.4°
CU2	N1	C14	H142	90.0°	89.0°
N1	CU2	N2	C15	90.0°	11.3°
N1	CU2	N2	C16	90.0°	139.6°
N1	CU2	N2	HN2	90.0°	101.3°
N1	CU2	N3	C18	90.0°	89.5°
N1	CU2	N3	C19	90.0°	37.0°
N1	CU2	N3	HN3	90.0°	151.9°
N1	CU2	N5	C20	90.0°	121.3°
N1	CU2	N5	HN5	90.0°	122.1°
CU2	N1	C27	C22	90.0°	80.8°
CU2	N1	C27	H271	90.0°	43.7°
CU2	N1	C27	H272	90.0°	155.8°
N2	CU2	N3	N5	90.0°	140.5°
N2	CU2	N5	C4	90.0°	103.1°
N2	CU2	N1	C11	90.0°	129.0°
N2	CU2	N1	C14	90.0°	10.7°
N2	CU2	N1	C27	90.0°	113.0°
CU2	N2	C15	C14	90.0°	32.0°
CU2	N2	C15	C16	90.0°	129.5°
CU2	N2	C15	HN2	90.0°	110.5°
CU2	N2	C15	H151	90.0°	89.3°
CU2	N2	C15	H152	90.0°	153.1°
CU2	N2	C16	HN2	90.0°	116.6°
CU2	N2	C16	C17	90.0°	50.7°
CU2	N2	C16	H161	90.0°	71.2°
CU2	N2	C16	H162	90.0°	172.1°
N2	CU2	N3	C18	90.0°	40.4°
N2	CU2	N3	C19	90.0°	166.9°
N2	CU2	N3	HN3	90.0°	78.2°
N2	CU2	N5	C20	90.0°	129.2°
N2	CU2	N5	HN5	90.0°	12.6°
N3	CU2	N5	C4	90.0°	180.0°
N3	CU2	N1	C11	90.0°	100.8°
N3	CU2	N1	C14	90.0°	140.9°
N3	CU2	N1	C27	90.0°	17.2°
N3	CU2	N2	C15	90.0°	164.0°
N3	CU2	N2	C16	90.0°	35.7°
N3	CU2	N2	HN2	90.0°	83.4°
CU2	N3	C18	C17	90.0°	60.7°
CU2	N3	C18	C19	90.0°	120.1°
CU2	N3	C18	HN3	90.0°	120.5°
CU2	N3	C18	H181	90.0°	60.8°
CU2	N3	C18	H182	90.0°	178.6°
CU2	N3	C19	HN3	90.0°	116.7°
CU2	N3	C19	C20	90.0°	43.5°
CU2	N3	C19	H191	90.0°	76.6°
CU2	N3	C19	H192	90.0°	163.8°
N3	CU2	N5	C20	90.0°	52.2°
N3	CU2	N5	HN5	90.0°	64.4°
CU2	N5	C4	C7	90.0°	33.8°
CU2	N5	C4	C20	90.0°	121.5°
CU2	N5	C4	HN5	90.0°	118.4°
CU2	N5	C4	H41	90.0°	153.9°
CU2	N5	C4	H42	90.0°	88.0°
N5	CU2	N1	C11	90.0°	13.2°
N5	CU2	N1	C14	90.0°	131.5°
N5	CU2	N1	C27	90.0°	104.8°
N5	CU2	N2	C15	90.0°	127.5°
N5	CU2	N2	C16	90.0°	104.2°
N5	CU2	N2	HN2	90.0°	14.9°
N5	CU2	N3	C18	90.0°	179.1°
N5	CU2	N3	C19	90.0°	52.6°
N5	CU2	N3	HN3	90.0°	62.3°
CU2	N5	C20	C19	90.0°	41.8°
CU2	N5	C20	HN5	90.0°	117.4°
CU2	N5	C20	H201	90.0°	78.3°
CU2	N5	C20	H202	90.0°	161.9°
C7	C4	N5	H41	90.0°	120.2°
C7	C4	N5	H42	90.0°	121.7°
C7	C4	H41	H42	90.0°	119.4°
C4	C7	C11	H71	90.0°	121.9°
C4	C7	C11	H72	90.0°	122.4°
C4	C7	H71	H72	90.0°	117.1°
C4	C7	C11	N1	90.0°	79.2°
C4	C7	C11	H111	90.0°	43.8°
C4	C7	C11	H112	90.0°	157.8°
C7	C4	N5	C20	90.0°	155.3°
C7	C4	N5	HN5	90.0°	84.6°
N5	C4	H41	H42	90.0°	119.7°
N5	C4	C7	C11	90.0°	86.4°
N5	C4	C7	H71	90.0°	151.7°
N5	C4	C7	H72	90.0°	36.0°
C4	N5	C20	C19	90.0°	166.0°
C4	N5	C20	HN5	90.0°	118.4°
C4	N5	C20	H201	90.0°	45.9°
C4	N5	C20	H202	90.0°	73.9°
H41	C4	C7	C11	90.0°	153.5°
H41	C4	C7	H71	90.0°	31.6°
H41	C4	C7	H72	90.0°	84.1°
H41	C4	N5	C20	90.0°	84.5°
H41	C4	N5	HN5	90.0°	35.6°
H42	C4	C7	C11	90.0°	35.5°
H42	C4	C7	H71	90.0°	86.4°
H42	C4	C7	H72	90.0°	157.9°
H42	C4	N5	C20	90.0°	33.6°
H42	C4	N5	HN5	90.0°	153.7°
C11	C7	H71	H72	90.0°	116.9°
C7	C11	N1	H111	90.0°	122.0°
C7	C11	N1	H112	90.0°	122.4°
C7	C11	H111	H112	90.0°	115.1°
C7	C11	N1	C14	90.0°	90.3°
C7	C11	N1	C27	90.0°	140.2°
H71	C7	C11	N1	90.0°	158.8°
H71	C7	C11	H111	90.0°	78.1°
H71	C7	C11	H112	90.0°	35.9°
H72	C7	C11	N1	90.0°	43.2°
H72	C7	C11	H111	90.0°	166.2°
H72	C7	C11	H112	90.0°	79.8°
N1	C11	H111	H112	90.0°	117.2°
C11	N1	C14	C27	90.0°	125.8°
C11	N1	C14	C15	90.0°	146.3°
C11	N1	C14	H141	90.0°	91.2°
C11	N1	C14	H142	90.0°	25.4°
C11	N1	C27	C22	90.0°	162.4°
C11	N1	C27	H271	90.0°	73.2°
C11	N1	C27	H272	90.0°	39.0°
H111	C11	N1	C14	90.0°	147.7°
H111	C11	N1	C27	90.0°	18.2°
H112	C11	N1	C14	90.0°	32.2°
H112	C11	N1	C27	90.0°	97.3°
N1	C14	C15	H141	90.0°	122.9°
N1	C14	C15	H142	90.0°	122.0°
N1	C14	H141	H142	90.0°	118.1°
N1	C14	C15	N2	90.0°	46.1°
N1	C14	C15	H151	90.0°	75.9°
N1	C14	C15	H152	90.0°	167.2°
C14	N1	C27	C22	90.0°	34.7°
C14	N1	C27	H271	90.0°	159.2°
C14	N1	C27	H272	90.0°	88.7°
C27	N1	C14	C15	90.0°	87.9°
C27	N1	C14	H141	90.0°	34.5°
C27	N1	C14	H142	90.0°	151.1°
N1	C27	C22	C21	90.0°	97.9°
N1	C27	C22	C23	90.0°	88.6°
N1	C27	C22	H271	90.0°	124.4°
N1	C27	C22	H272	90.0°	124.2°
N1	C27	H271	H272	90.0°	113.0°
C15	C14	H141	H142	90.0°	115.4°
C14	C15	N2	H151	90.0°	121.3°
C14	C15	N2	H152	90.0°	121.1°
C14	C15	H151	H152	90.0°	117.8°
C14	C15	N2	C16	90.0°	161.5°
C14	C15	N2	HN2	90.0°	78.5°
H141	C14	C15	N2	90.0°	169.0°
H141	C14	C15	H151	90.0°	46.9°
H141	C14	C15	H152	90.0°	69.9°
H142	C14	C15	N2	90.0°	75.9°
H142	C14	C15	H151	90.0°	162.1°
H142	C14	C15	H152	90.0°	45.2°
N2	C15	H151	H152	90.0°	118.3°
C15	N2	C16	HN2	90.0°	119.2°
C15	N2	C16	C17	90.0°	174.9°
C15	N2	C16	H161	90.0°	53.1°
C15	N2	C16	H162	90.0°	63.7°
H151	C15	N2	C16	90.0°	40.2°
H151	C15	N2	HN2	90.0°	160.2°
H152	C15	N2	C16	90.0°	77.3°
H152	C15	N2	HN2	90.0°	42.6°
N2	C16	C17	H161	90.0°	122.2°
N2	C16	C17	H162	90.0°	121.6°
N2	C16	H161	H162	90.0°	117.9°
N2	C16	C17	C18	90.0°	68.4°
N2	C16	C17	H171	90.0°	169.5°
N2	C16	C17	H172	90.0°	54.0°
HN2	N2	C16	C17	90.0°	65.9°
HN2	N2	C16	H161	90.0°	172.2°
HN2	N2	C16	H162	90.0°	55.5°
C17	C16	H161	H162	90.0°	117.2°
C16	C17	C18	H171	90.0°	122.2°
C16	C17	C18	H172	90.0°	122.3°
C16	C17	H171	H172	90.0°	116.7°
C16	C17	C18	N3	90.0°	75.1°
C16	C17	C18	H181	90.0°	46.4°
C16	C17	C18	H182	90.0°	164.1°
H161	C16	C17	C18	90.0°	53.8°
H161	C16	C17	H171	90.0°	68.4°
H161	C16	C17	H172	90.0°	176.2°
H162	C16	C17	C18	90.0°	170.1°
H162	C16	C17	H171	90.0°	47.9°
H162	C16	C17	H172	90.0°	67.5°
C18	C17	H171	H172	90.0°	116.9°
C17	C18	N3	H181	90.0°	121.5°
C17	C18	N3	H182	90.0°	120.7°
C17	C18	H181	H182	90.0°	118.5°
C17	C18	N3	C19	90.0°	179.1°
C17	C18	N3	HN3	90.0°	59.7°
H171	C17	C18	N3	90.0°	162.7°
H171	C17	C18	H181	90.0°	75.8°
H171	C17	C18	H182	90.0°	41.9°
H172	C17	C18	N3	90.0°	47.2°
H172	C17	C18	H181	90.0°	168.7°
H172	C17	C18	H182	90.0°	73.5°
N3	C18	H181	H182	90.0°	118.7°
C18	N3	C19	HN3	90.0°	119.0°
C18	N3	C19	C20	90.0°	167.8°
C18	N3	C19	H191	90.0°	47.7°
C18	N3	C19	H192	90.0°	72.0°
H181	C18	N3	C19	90.0°	59.3°
H181	C18	N3	HN3	90.0°	178.7°
H182	C18	N3	C19	90.0°	58.5°
H182	C18	N3	HN3	90.0°	60.9°
N3	C19	C20	H191	90.0°	120.8°
N3	C19	C20	H192	90.0°	120.4°
N3	C19	H191	H192	90.0°	120.5°
N3	C19	C20	N5	90.0°	1.6°
N3	C19	C20	H201	90.0°	122.5°
N3	C19	C20	H202	90.0°	118.6°
HN3	N3	C19	C20	90.0°	73.2°
HN3	N3	C19	H191	90.0°	166.7°
HN3	N3	C19	H192	90.0°	47.1°
C20	C19	H191	H192	90.0°	119.6°
C19	C20	N5	H201	90.0°	120.1°
C19	C20	N5	H202	90.0°	120.0°
C19	C20	H201	H202	90.0°	119.6°
C19	C20	N5	HN5	90.0°	75.6°
H191	C19	C20	N5	90.0°	119.2°
H191	C19	C20	H201	90.0°	1.7°
H191	C19	C20	H202	90.0°	120.6°
H192	C19	C20	N5	90.0°	122.0°
H192	C19	C20	H201	90.0°	117.1°
H192	C19	C20	H202	90.0°	1.8°
N5	C20	H201	H202	90.0°	120.7°
H201	C20	N5	HN5	90.0°	164.3°
H202	C20	N5	HN5	90.0°	44.5°
C22	C21	C26	H21	90.0°	178.8°
C21	C22	C23	C27	90.0°	173.8°
C21	C22	C23	C24	90.0°	3.8°
C21	C22	C23	H23	90.0°	178.8°
C22	C21	C26	C25	90.0°	0.3°
C22	C21	C26	H26	90.0°	178.0°
C21	C22	C27	H271	90.0°	26.5°
C21	C22	C27	H272	90.0°	137.9°
C26	C21	C22	C23	90.0°	3.1°
C26	C21	C22	C27	90.0°	176.8°
C21	C26	C25	C24	90.0°	3.0°
C21	C26	C25	H26	90.0°	177.7°
C21	C26	C25	C28	90.0°	178.1°
H21	C21	C22	C23	90.0°	178.1°
H21	C21	C22	C27	90.0°	4.4°
H21	C21	C26	C25	90.0°	178.5°
H21	C21	C26	H26	90.0°	0.8°
C22	C23	C24	H23	90.0°	177.4°
C22	C23	C24	C25	90.0°	1.1°
C22	C23	C24	H24	90.0°	178.2°
C23	C22	C27	H271	90.0°	147.0°
C23	C22	C27	H272	90.0°	35.6°
C27	C22	C23	C24	90.0°	177.6°
C27	C22	C23	H23	90.0°	5.1°
C22	C27	H271	H272	90.0°	111.0°
C23	C24	C25	H24	90.0°	179.3°
C23	C24	C25	C26	90.0°	2.3°
C23	C24	C25	C28	90.0°	177.5°
H23	C23	C24	C25	90.0°	178.5°
H23	C23	C24	H24	90.0°	0.8°
C24	C25	C26	C28	90.0°	175.1°
C24	C25	C26	H26	90.0°	179.3°
C24	C25	C28	H281	90.0°	26.9°
C24	C25	C28	H282	90.0°	138.3°
H24	C24	C25	C26	90.0°	178.4°
H24	C24	C25	C28	90.0°	3.2°
C26	C25	C28	H281	90.0°	148.0°
C26	C25	C28	H282	90.0°	36.6°
C28	C25	C26	H26	90.0°	4.2°
C25	C28	H281	H282	90.0°	112.3°

Definition date:	2005-01-24
Last modified:	2026-07-31
Release status:	REL
Processing site:	RCSB
Derived from:	1YIL