IK6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C3	doub	0.00Å	1.41Å
C1	C7	sing	0.00Å	1.49Å
C1	N10	sing	0.00Å	1.42Å
C2	N4	doub	0.00Å	1.40Å	Aromatic
C2	N5	sing	0.00Å	1.39Å
C2	N6	sing	0.00Å	1.48Å	Aromatic
C3	C8	sing	0.00Å	1.47Å
C3	C14	sing	0.00Å	1.45Å
N4	C11	sing	0.00Å	1.35Å	Aromatic
N5	C9	sing	0.00Å	1.41Å
N6	C13	sing	0.00Å	1.41Å
N6	C18	doub	0.00Å	1.37Å	Aromatic
C7	N17	sing	0.00Å	1.37Å
C7	O19	doub	0.00Å	1.27Å
C8	N15	sing	0.00Å	1.43Å
C8	O20	doub	0.00Å	1.26Å
C9	C13	sing	0.00Å	1.42Å
C9	C21	sing	0.00Å	1.45Å
N10	N12	sing	0.00Å	1.34Å
N10	C25	sing	0.00Å	1.45Å
C11	N15	sing	0.00Å	1.42Å
C11	C16	doub	0.00Å	1.48Å	Aromatic
N12	C14	sing	0.00Å	1.37Å
C16	C18	sing	0.00Å	1.37Å	Aromatic
N17	C23	sing	0.00Å	1.47Å
N17	C24	sing	0.00Å	1.49Å
C21	C26	doub	0.00Å	1.41Å	Aromatic
C21	C27	sing	0.00Å	1.40Å	Aromatic
C22	C23	sing	0.00Å	1.58Å
C22	C24	sing	0.00Å	1.55Å
C26	C29	sing	0.00Å	1.39Å	Aromatic
C27	C28	doub	0.00Å	1.40Å	Aromatic
C28	C30	sing	0.00Å	1.40Å	Aromatic
C29	C30	doub	0.00Å	1.40Å	Aromatic
C13	H1	sing	0.00Å	1.10Å
C13	H2	sing	0.00Å	1.10Å
C16	H3	sing	0.00Å	1.08Å
C18	H4	sing	0.00Å	1.08Å
C22	H5	sing	0.00Å	1.10Å
C22	H6	sing	0.00Å	1.10Å
C23	H7	sing	0.00Å	1.10Å
C23	H8	sing	0.00Å	1.10Å
C24	H9	sing	0.00Å	1.10Å
C24	H10	sing	0.00Å	1.10Å
C25	H11	sing	0.00Å	1.10Å
C25	H12	sing	0.00Å	1.10Å
C25	H13	sing	0.00Å	1.10Å
C26	H14	sing	0.00Å	1.08Å
C27	H15	sing	0.00Å	1.08Å
C28	H16	sing	0.00Å	1.08Å
N5	H17	sing	0.00Å	1.00Å
C9	H18	sing	0.00Å	1.10Å
N12	H19	sing	0.00Å	1.00Å
C14	H20	sing	0.00Å	1.10Å
C14	H21	sing	0.00Å	1.10Å
N15	H22	sing	0.00Å	1.00Å
C29	H23	sing	0.00Å	1.08Å
C30	H24	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C1	C7	129.4°	90.0°
C3	C1	N10	106.0°	90.0°
C1	C3	C8	126.1°	90.0°
C1	C3	C14	104.7°	90.0°
C7	C1	N10	124.6°	90.0°
C1	C7	N17	110.4°	90.0°
C1	C7	O19	124.3°	90.0°
C1	N10	N12	110.6°	90.0°
C1	N10	C25	126.8°	90.0°
N4	C2	N5	128.4°	90.0°
N4	C2	N6	122.5°	90.0°
C2	N4	C11	115.4°	90.0°
N5	C2	N6	108.6°	90.0°
C2	N5	C9	105.6°	90.0°
C2	N5	H17	127.2°	90.0°
C2	N6	C13	107.0°	90.0°
C2	N6	C18	119.4°	90.0°
C8	C3	C14	129.1°	90.0°
C3	C8	N15	113.4°	90.0°
C3	C8	O20	120.6°	90.0°
C3	C14	N12	109.5°	90.0°
C3	C14	H20	109.4°	90.0°
C3	C14	H21	109.5°	90.0°
N4	C11	N15	121.4°	90.0°
N4	C11	C16	123.0°	90.0°
N5	C9	C13	111.9°	90.0°
N5	C9	C21	121.9°	90.0°
C9	N5	H17	127.2°	90.0°
N5	C9	H18	90.4°	90.0°
C13	N6	C18	133.4°	90.0°
N6	C13	C9	105.4°	90.0°
N6	C13	H1	110.5°	90.0°
N6	C13	H2	110.5°	90.0°
N6	C18	C16	118.4°	90.0°
N6	C18	H4	120.8°	90.0°
N17	C7	O19	125.3°	90.0°
C7	N17	C23	128.5°	90.0°
C7	N17	C24	129.1°	90.0°
N15	C8	O20	126.0°	90.0°
C8	N15	C11	124.6°	90.0°
C8	N15	H22	117.7°	90.0°
C13	C9	C21	126.2°	90.0°
C9	C13	H1	110.5°	90.0°
C9	C13	H2	110.5°	90.0°
C13	C9	H18	90.4°	90.0°
C9	C21	C26	120.0°	90.0°
C9	C21	C27	119.7°	90.0°
C21	C9	H18	90.4°	90.0°
N12	N10	C25	122.4°	90.0°
N10	N12	C14	107.3°	90.0°
N10	N12	H19	110.0°	90.0°
N10	C25	H11	109.5°	90.0°
N10	C25	H12	109.4°	90.0°
N10	C25	H13	109.5°	90.0°
N15	C11	C16	115.6°	90.0°
C11	N15	H22	117.7°	90.0°
C11	C16	C18	120.2°	90.0°
C11	C16	H3	119.9°	90.0°
C14	N12	H19	110.0°	90.0°
N12	C14	H20	109.5°	90.0°
N12	C14	H21	109.5°	90.0°
C18	C16	H3	119.9°	90.0°
C16	C18	H4	120.8°	90.0°
C23	N17	C24	96.8°	90.0°
N17	C23	C22	86.2°	90.0°
N17	C23	H7	114.9°	90.0°
N17	C23	H8	114.9°	90.0°
N17	C24	C22	86.8°	90.0°
N17	C24	H9	114.8°	90.0°
N17	C24	H10	114.8°	90.0°
C26	C21	C27	120.4°	90.0°
C21	C26	C29	120.1°	90.0°
C21	C26	H14	119.9°	90.0°
C21	C27	C28	118.9°	90.0°
C21	C27	H15	120.6°	90.0°
C23	C22	C24	90.2°	90.0°
C23	C22	H5	114.1°	90.0°
C23	C22	H6	114.1°	90.0°
C22	C23	H7	114.9°	90.0°
C22	C23	H8	115.0°	90.0°
C24	C22	H5	114.1°	90.0°
C24	C22	H6	114.1°	90.0°
C22	C24	H9	114.8°	90.0°
C22	C24	H10	114.8°	90.0°
C26	C29	C30	119.6°	90.0°
C29	C26	H14	119.9°	90.0°
C26	C29	H23	120.2°	90.0°
C27	C28	C30	120.9°	90.0°
C28	C27	H15	120.5°	90.0°
C27	C28	H16	119.5°	90.0°
C28	C30	C29	120.1°	90.0°
C30	C28	H16	119.6°	90.0°
C28	C30	H24	119.9°	90.0°
C30	C29	H23	120.2°	90.0°
C29	C30	H24	120.0°	90.0°
H1	C13	H2	109.5°	90.0°
H5	C22	H6	109.4°	90.0°
H7	C23	H8	109.5°	90.0°
H9	C24	H10	109.5°	90.0°
H11	C25	H12	109.5°	90.0°
H11	C25	H13	109.5°	90.0°
H12	C25	H13	109.4°	90.0°
H20	C14	H21	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C1	C7	N10	178.6°	90.0°
C1	C3	C8	C14	177.8°	90.0°
C3	C1	C7	N17	148.7°	90.0°
C3	C1	C7	O19	32.8°	90.0°
C1	C3	C8	N15	5.1°	90.0°
C1	C3	C8	O20	175.2°	90.0°
C3	C1	N10	N12	14.4°	90.0°
C3	C1	N10	C25	160.7°	90.0°
C1	C3	C14	N12	5.6°	90.0°
C1	C3	C14	H20	114.4°	90.0°
C1	C3	C14	H21	125.7°	90.0°
C7	C1	C3	C8	8.7°	90.0°
C7	C1	C3	C14	169.6°	90.0°
C1	C7	N17	O19	178.5°	90.0°
C7	C1	N10	N12	166.7°	90.0°
C7	C1	N10	C25	18.2°	90.0°
C1	C7	N17	C23	167.2°	90.0°
C1	C7	N17	C24	19.7°	90.0°
N10	C1	C3	C8	170.1°	90.0°
N10	C1	C3	C14	11.6°	90.0°
N10	C1	C7	N17	32.6°	90.0°
N10	C1	C7	O19	145.9°	90.0°
C1	N10	N12	C25	175.3°	90.0°
C1	N10	N12	C14	10.8°	90.0°
C1	N10	C25	H11	180.0°	90.0°
C1	N10	C25	H12	60.0°	90.0°
C1	N10	C25	H13	60.0°	90.0°
C1	N10	N12	H19	130.5°	90.0°
N4	C2	N5	N6	172.7°	90.0°
N4	C2	N5	C9	160.5°	90.0°
N4	C2	N6	C13	163.4°	90.0°
N4	C2	N6	C18	12.5°	90.0°
C2	N4	C11	N15	177.6°	90.0°
C2	N4	C11	C16	3.0°	90.0°
N4	C2	N5	H17	19.5°	90.0°
N5	C2	N4	C11	177.4°	90.0°
C2	N5	C9	H17	180.0°	90.0°
N5	C2	N6	C13	9.9°	90.0°
N5	C2	N6	C18	174.3°	90.0°
C2	N5	C9	C13	10.6°	90.0°
C2	N5	C9	C21	170.7°	90.0°
C2	N5	C9	H18	80.0°	90.0°
N6	C2	N4	C11	5.6°	90.0°
N6	C2	N5	C9	12.2°	90.0°
C2	N6	C13	C18	175.0°	90.0°
C2	N6	C13	C9	3.2°	90.0°
C2	N6	C18	C16	9.7°	90.0°
C2	N6	C13	H1	116.1°	90.0°
C2	N6	C13	H2	122.6°	90.0°
C2	N6	C18	H4	170.3°	90.0°
N6	C2	N5	H17	167.8°	90.0°
C3	C8	N15	O20	179.8°	90.0°
C3	C8	N15	C11	164.2°	90.0°
C8	C3	C14	N12	176.2°	90.0°
C8	C3	C14	H20	63.8°	90.0°
C8	C3	C14	H21	56.1°	90.0°
C3	C8	N15	H22	15.8°	90.0°
C14	C3	C8	N15	172.8°	90.0°
C14	C3	C8	O20	7.0°	90.0°
C3	C14	N12	N10	3.1°	90.0°
C3	C14	N12	H20	120.0°	90.0°
C3	C14	N12	H21	120.0°	90.0°
C3	C14	N12	H19	122.7°	90.0°
C3	C14	H20	H21	120.0°	90.0°
N4	C11	N15	C8	134.1°	90.0°
N4	C11	N15	C16	179.4°	90.0°
N4	C11	C16	C18	5.4°	90.0°
N4	C11	C16	H3	174.6°	90.0°
N4	C11	N15	H22	45.9°	90.0°
N5	C9	C13	N6	4.4°	90.0°
N5	C9	C13	C21	178.7°	90.0°
N5	C9	C13	H18	90.6°	90.0°
N5	C9	C21	H18	90.7°	90.0°
N5	C9	C21	C26	10.4°	90.0°
N5	C9	C21	C27	168.9°	90.0°
N5	C9	C13	H1	123.8°	90.0°
N5	C9	C13	H2	114.9°	90.0°
N6	C13	C9	H1	119.3°	90.0°
N6	C13	C9	H2	119.3°	90.0°
N6	C13	C9	C21	176.9°	90.0°
C13	N6	C18	C16	164.8°	90.0°
N6	C13	H1	H2	121.9°	90.0°
C13	N6	C18	H4	15.2°	90.0°
N6	C13	C9	H18	86.1°	90.0°
C18	N6	C13	C9	178.2°	90.0°
N6	C18	C16	C11	1.5°	90.0°
N6	C18	C16	H4	180.0°	90.0°
C18	N6	C13	H1	58.8°	90.0°
C18	N6	C13	H2	62.5°	90.0°
N6	C18	C16	H3	178.5°	90.0°
C7	N17	C23	C24	155.1°	90.0°
C7	N17	C23	C22	156.6°	90.0°
C7	N17	C24	C22	156.5°	90.0°
C7	N17	C23	H7	87.6°	90.0°
C7	N17	C23	H8	40.8°	90.0°
C7	N17	C24	H9	40.6°	90.0°
C7	N17	C24	H10	87.6°	90.0°
O19	C7	N17	C23	14.3°	90.0°
O19	C7	N17	C24	161.8°	90.0°
C8	N15	C11	H22	180.0°	90.0°
C8	N15	C11	C16	46.5°	90.0°
O20	C8	N15	C11	16.0°	90.0°
O20	C8	N15	H22	164.0°	90.0°
C13	C9	C21	H18	90.7°	90.0°
C13	C9	C21	C26	171.0°	90.0°
C13	C9	C21	C27	9.7°	90.0°
C9	C13	H1	H2	121.9°	90.0°
C13	C9	N5	H17	169.4°	90.0°
C9	C21	C26	C27	179.3°	90.0°
C9	C21	C26	C29	179.5°	90.0°
C9	C21	C27	C28	179.7°	90.0°
C21	C9	C13	H1	57.5°	90.0°
C21	C9	C13	H2	63.8°	90.0°
C9	C21	C26	H14	0.4°	90.0°
C9	C21	C27	H15	0.3°	90.0°
C21	C9	N5	H17	9.3°	90.0°
N10	N12	C14	H19	119.7°	90.0°
N12	N10	C25	H11	5.5°	90.0°
N12	N10	C25	H12	114.5°	90.0°
N12	N10	C25	H13	125.5°	90.0°
N10	N12	C14	H20	123.0°	90.0°
N10	N12	C14	H21	117.0°	90.0°
C25	N10	N12	C14	164.5°	90.0°
N10	C25	H11	H12	120.0°	90.0°
N10	C25	H11	H13	120.0°	90.0°
N10	C25	H12	H13	120.0°	90.0°
C25	N10	N12	H19	44.9°	90.0°
N15	C11	C16	C18	175.2°	90.0°
N15	C11	C16	H3	4.8°	90.0°
C11	C16	C18	H3	180.0°	90.0°
C11	C16	C18	H4	178.5°	90.0°
C16	C11	N15	H22	133.5°	90.0°
N12	C14	H20	H21	120.0°	90.0°
N17	C23	C22	H7	115.8°	90.0°
N17	C23	C22	H8	115.8°	90.0°
C23	N17	C24	C22	1.5°	90.0°
N17	C23	C22	H5	115.2°	90.0°
N17	C23	C22	H6	118.1°	90.0°
N17	C23	H7	H8	131.1°	90.0°
C23	N17	C24	H9	114.4°	90.0°
C23	N17	C24	H10	117.4°	90.0°
N17	C24	C22	H9	115.9°	90.0°
N17	C24	C22	H10	115.9°	90.0°
N17	C24	C22	H5	115.2°	90.0°
N17	C24	C22	H6	118.0°	90.0°
C24	N17	C23	H7	117.3°	90.0°
C24	N17	C23	H8	114.3°	90.0°
N17	C24	H9	H10	130.8°	90.0°
C21	C26	C29	H14	180.0°	90.0°
C26	C21	C27	C28	0.4°	90.0°
C21	C26	C29	C30	1.2°	90.0°
C26	C21	C27	H15	179.6°	90.0°
C26	C21	C9	H18	80.2°	90.0°
C21	C26	C29	H23	178.8°	90.0°
C27	C21	C26	C29	1.1°	90.0°
C21	C27	C28	H15	180.0°	90.0°
C21	C27	C28	C30	0.4°	90.0°
C27	C21	C26	H14	178.9°	90.0°
C21	C27	C28	H16	179.6°	90.0°
C27	C21	C9	H18	100.4°	90.0°
C23	C22	C24	H5	116.6°	90.0°
C23	C22	C24	H6	116.6°	90.0°
C23	C22	H5	H6	129.1°	90.0°
C22	C23	H7	H8	131.1°	90.0°
C23	C22	C24	H9	114.5°	90.0°
C23	C22	C24	H10	117.3°	90.0°
C24	C22	H5	H6	129.1°	90.0°
C24	C22	C23	H7	117.2°	90.0°
C24	C22	C23	H8	114.4°	90.0°
C22	C24	H9	H10	130.8°	90.0°
C26	C29	C30	C28	0.4°	90.0°
C26	C29	C30	H23	180.0°	90.0°
C26	C29	C30	H24	179.6°	90.0°
C27	C28	C30	H16	180.0°	90.0°
C27	C28	C30	C29	0.4°	90.0°
C27	C28	C30	H24	179.6°	90.0°
C28	C30	C29	H24	180.0°	90.0°
C30	C28	C27	H15	179.6°	90.0°
C28	C30	C29	H23	179.6°	90.0°
C30	C29	C26	H14	178.9°	90.0°
C29	C30	C28	H16	179.6°	90.0°
H1	C13	C9	H18	33.2°	90.0°
H2	C13	C9	H18	154.5°	90.0°
H3	C16	C18	H4	1.5°	90.0°
H5	C22	C23	H7	0.6°	90.0°
H5	C22	C23	H8	129.0°	90.0°
H5	C22	C24	H9	128.9°	90.0°
H5	C22	C24	H10	0.7°	90.0°
H6	C22	C23	H7	126.2°	90.0°
H6	C22	C23	H8	2.3°	90.0°
H6	C22	C24	H9	2.1°	90.0°
H6	C22	C24	H10	126.1°	90.0°
H11	C25	H12	H13	120.0°	90.0°
H14	C26	C29	H23	1.1°	90.0°
H15	C27	C28	H16	0.4°	90.0°
H16	C28	C30	H24	0.4°	90.0°
H17	N5	C9	H18	100.0°	90.0°
H19	N12	C14	H20	117.3°	90.0°
H19	N12	C14	H21	2.7°	90.0°
H23	C29	C30	H24	0.4°	90.0°

Release date:	2022-10-12
Definition date:	2022-01-26
Last modified:	2022-10-07
Release status:	REL
Processing site:	RCSB
Derived from:	5SFC