17J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	C24	doub	1.38Å	1.40Å	Aromatic
C23	C22	sing	1.38Å	1.39Å	Aromatic
C24	C25	sing	1.38Å	1.40Å	Aromatic
C22	C21	doub	1.39Å	1.40Å	Aromatic
C25	C26	doub	1.38Å	1.40Å	Aromatic
C21	C26	sing	1.39Å	1.40Å	Aromatic
C21	C18	sing	1.48Å	1.49Å
N17	C18	sing	1.32Å	1.37Å	Aromatic
N17	C16	doub	1.31Å	1.35Å	Aromatic
C18	N19	doub	1.31Å	1.37Å	Aromatic
C14	C15	sing	1.53Å	1.52Å
C14	N13	sing	1.47Å	1.45Å
C15	N10	sing	1.47Å	1.47Å
O1	C2	doub	1.22Å	1.25Å
C16	N13	sing	1.38Å	1.36Å
C16	S20	sing	1.72Å	1.72Å	Aromatic
N13	C12	sing	1.47Å	1.45Å
N19	S20	sing	1.70Å	1.70Å	Aromatic
N10	C2	sing	1.35Å	1.33Å
N10	C11	sing	1.47Å	1.47Å
C12	C11	sing	1.54Å	1.53Å
C15	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.09Å	1.10Å
C14	H4	sing	1.09Å	1.10Å
C14	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C26	H10	sing	1.08Å	1.08Å
C25	H11	sing	1.08Å	1.08Å
C24	H12	sing	1.08Å	1.08Å
C23	H13	sing	1.08Å	1.08Å
C22	H14	sing	1.08Å	1.08Å
N1	C3	sing	1.40Å	0.00Å
C2	N1	sing	1.35Å	67.38Å
C3	C4	sing	1.39Å	0.00Å	Aromatic
C4	C1	doub	1.39Å	0.00Å	Aromatic
C1	C5	sing	1.38Å	0.00Å	Aromatic
C5	N2	doub	1.32Å	0.00Å	Aromatic
N2	C7	sing	1.32Å	0.00Å	Aromatic
C7	C3	doub	1.39Å	0.00Å	Aromatic
N1	H1	sing	0.97Å	0.00Å
C4	H15	sing	1.08Å	0.00Å
C1	H16	sing	1.08Å	0.00Å
C5	H17	sing	1.08Å	0.00Å
C7	H18	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	C23	C22	119.7°	120.1°
C23	C24	C25	120.4°	120.2°
C23	C24	H12	119.8°	119.9°
C24	C23	H13	120.2°	120.0°
C23	C22	C21	120.0°	119.8°
C22	C23	H13	120.2°	119.9°
C23	C22	H14	120.0°	120.1°
C24	C25	C26	119.9°	120.1°
C24	C25	H11	120.1°	119.9°
C25	C24	H12	119.8°	119.9°
C22	C21	C26	120.3°	119.8°
C22	C21	C18	119.6°	120.1°
C21	C22	H14	120.0°	120.1°
C25	C26	C21	119.7°	119.9°
C25	C26	H10	120.2°	120.1°
C26	C25	H11	120.0°	120.0°
C26	C21	C18	120.1°	120.1°
C21	C26	H10	120.1°	120.0°
C21	C18	N17	122.9°	121.2°
C21	C18	N19	122.3°	121.3°
C18	N17	C16	111.5°	116.8°
N17	C18	N19	114.8°	117.5°
N17	C16	N13	123.5°	127.4°
N17	C16	S20	112.2°	105.3°
C18	N19	S20	110.0°	105.8°
C15	C14	N13	98.6°	109.4°
C14	C15	N10	105.9°	108.5°
C14	C15	H2	110.3°	109.6°
C14	C15	H3	110.3°	109.8°
C15	C14	H4	112.1°	109.5°
C15	C14	H5	112.1°	109.5°
C14	N13	C16	116.5°	111.0°
C14	N13	C12	113.3°	111.3°
N13	C14	H4	112.1°	109.5°
N13	C14	H5	112.1°	109.5°
C15	N10	C2	120.5°	120.9°
C15	N10	C11	118.1°	118.2°
N10	C15	H2	110.3°	109.6°
N10	C15	H3	110.3°	109.6°
O1	C2	N10	120.2°	120.1°
O1	C2	N1	99.3°	119.9°
N13	C16	S20	124.3°	127.3°
C16	N13	C12	119.1°	111.0°
C16	S20	N19	91.4°	94.7°
N13	C12	C11	100.8°	109.2°
N13	C12	H6	111.6°	109.5°
N13	C12	H7	111.6°	109.5°
C2	N10	C11	121.4°	120.9°
N10	C2	N1	132.7°	120.0°
N10	C11	C12	106.5°	108.3°
N10	C11	H8	110.2°	109.6°
N10	C11	H9	110.2°	109.6°
C11	C12	H6	111.6°	109.7°
C11	C12	H7	111.6°	109.4°
C12	C11	H8	110.2°	109.8°
C12	C11	H9	110.2°	109.7°
H2	C15	H3	109.5°	109.7°
H4	C14	H5	109.5°	109.5°
H6	C12	H7	109.4°	109.5°
H8	C11	H9	109.5°	109.8°
C3	N1	C2	90.0°	120.0°
N1	C3	C4	90.0°	120.5°
N1	C3	C7	90.0°	120.5°
C3	N1	H1	90.0°	120.0°
C2	N1	H1	90.0°	120.0°
C3	C4	C1	90.0°	118.3°
C4	C3	C7	90.0°	119.0°
C3	C4	H15	90.0°	120.8°
C4	C1	C5	90.0°	119.2°
C1	C4	H15	90.0°	120.8°
C4	C1	H16	90.0°	120.3°
C1	C5	N2	90.0°	120.9°
C5	C1	H16	90.0°	120.4°
C1	C5	H17	90.0°	119.5°
C5	N2	C7	90.0°	121.8°
N2	C5	H17	90.0°	119.6°
N2	C7	C3	90.0°	120.6°
N2	C7	H18	90.0°	119.7°
C3	C7	H18	90.0°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	C23	C22	H13	180.0°	179.7°
C23	C24	C25	H12	180.0°	180.0°
C24	C23	C22	C21	0.3°	0.6°
C23	C24	C25	C26	0.1°	0.0°
C23	C24	C25	H11	179.9°	180.0°
C24	C23	C22	H14	179.7°	180.0°
C22	C23	C24	C25	0.1°	0.3°
C23	C22	C21	H14	180.0°	179.4°
C23	C22	C21	C26	0.3°	0.6°
C23	C22	C21	C18	179.5°	179.7°
C22	C23	C24	H12	179.9°	179.7°
C24	C25	C26	H11	180.0°	180.0°
C24	C25	C26	C21	0.0°	0.0°
C24	C25	C26	H10	180.0°	179.9°
C25	C24	C23	H13	180.0°	180.0°
C22	C21	C26	C25	0.2°	0.3°
C22	C21	C26	C18	179.2°	179.7°
C22	C21	C18	N17	32.5°	0.0°
C22	C21	C18	N19	146.5°	179.7°
C22	C21	C26	H10	179.8°	179.8°
C21	C22	C23	H13	179.8°	179.7°
C25	C26	C21	H10	180.0°	179.9°
C25	C26	C21	C18	179.3°	180.0°
C26	C25	C24	H12	179.9°	180.0°
C26	C21	C18	N17	148.3°	179.7°
C26	C21	C18	N19	32.7°	0.0°
C21	C26	C25	H11	179.9°	180.0°
C26	C21	C22	H14	179.7°	180.0°
C21	C18	N17	N19	179.1°	179.7°
C21	C18	N17	C16	178.9°	179.8°
C21	C18	N19	S20	179.4°	180.0°
C18	C21	C26	H10	0.7°	0.1°
C18	C21	C22	H14	0.5°	0.3°
C18	N17	C16	N13	178.8°	179.8°
C18	N17	C16	S20	0.7°	0.4°
N17	C18	N19	S20	0.3°	0.3°
C16	N17	C18	N19	0.3°	0.5°
N17	C16	N13	C14	31.5°	179.7°
N17	C16	N13	S20	177.9°	179.7°
N17	C16	N13	C12	173.1°	56.0°
N17	C16	S20	N19	0.7°	0.2°
C18	N19	S20	C16	0.6°	0.0°
C15	C14	N13	H4	118.2°	119.9°
C15	C14	N13	H5	118.2°	120.0°
C14	C15	N10	H2	119.4°	119.7°
C14	C15	N10	H3	119.4°	119.9°
C15	C14	N13	C16	136.7°	172.7°
C15	C14	N13	C12	79.5°	63.1°
C14	C15	N10	C2	122.9°	128.8°
C14	C15	N10	C11	58.6°	51.4°
C14	C15	H2	H3	121.6°	120.6°
C15	C14	H4	H5	125.0°	120.0°
N13	C14	C15	N10	60.9°	53.8°
C14	N13	C16	C12	141.6°	124.3°
C14	N13	C16	S20	150.6°	0.0°
C14	N13	C12	C11	76.8°	63.2°
N13	C14	C15	H2	58.5°	173.5°
N13	C14	C15	H3	179.6°	66.0°
N13	C14	H4	H5	125.1°	120.1°
C14	N13	C12	H6	41.8°	56.9°
C14	N13	C12	H7	164.6°	177.0°
C15	N10	C2	O1	2.0°	9.0°
C15	N10	C2	C11	178.5°	179.7°
C15	N10	C11	C12	55.1°	51.5°
N10	C15	H2	H3	121.6°	120.4°
N10	C15	C14	H4	57.3°	66.1°
N10	C15	C14	H5	179.1°	173.8°
C15	N10	C11	H8	64.4°	68.2°
C15	N10	C11	H9	174.6°	171.2°
C15	N10	C2	N1	144.2°	170.7°
O1	C2	N10	N1	142.2°	179.8°
O1	C2	N10	C11	179.4°	171.3°
O1	C2	N1	C3	90.0°	8.2°
O1	C2	N1	H1	90.0°	171.8°
N13	C16	S20	N19	178.8°	180.0°
C16	N13	C12	C11	140.5°	172.6°
C16	N13	C14	H4	105.1°	67.3°
C16	N13	C14	H5	18.6°	52.7°
C16	N13	C12	H6	101.0°	67.3°
C16	N13	C12	H7	21.9°	52.8°
S20	C16	N13	C12	9.0°	124.3°
N13	C12	C11	N10	55.2°	54.1°
N13	C12	C11	H6	118.6°	120.0°
N13	C12	C11	H7	118.6°	119.8°
C12	N13	C14	H4	38.7°	56.8°
C12	N13	C14	H5	162.4°	176.9°
N13	C12	H6	H7	124.0°	120.1°
N13	C12	C11	H8	64.3°	65.6°
N13	C12	C11	H9	174.7°	173.7°
C2	N10	C11	C12	126.4°	128.8°
C2	N10	C15	H2	117.7°	9.2°
C2	N10	C15	H3	3.5°	111.3°
C2	N10	C11	H8	114.1°	111.5°
C2	N10	C11	H9	6.8°	9.1°
N10	C2	N1	C3	90.0°	171.6°
N10	C2	N1	H1	90.0°	8.5°
N10	C11	C12	H8	119.5°	119.7°
N10	C11	C12	H9	119.5°	119.6°
C11	N10	C15	H2	60.9°	171.1°
C11	N10	C15	H3	178.0°	68.4°
N10	C11	C12	H6	63.4°	65.9°
N10	C11	C12	H7	173.8°	173.9°
N10	C11	H8	H9	121.4°	120.5°
C11	N10	C2	N1	37.3°	9.0°
C11	C12	H6	H7	124.0°	120.1°
C12	C11	H8	H9	121.4°	120.7°
H2	C15	C14	H4	176.7°	53.6°
H2	C15	C14	H5	59.7°	66.5°
H3	C15	C14	H4	62.2°	174.1°
H3	C15	C14	H5	61.4°	54.1°
H6	C12	C11	H8	177.0°	174.4°
H6	C12	C11	H9	56.1°	53.7°
H7	C12	C11	H8	54.2°	54.2°
H7	C12	C11	H9	66.7°	66.5°
H10	C26	C25	H11	0.1°	0.0°
H11	C25	C24	H12	0.1°	0.0°
H12	C24	C23	H13	0.0°	0.0°
H13	C23	C22	H14	0.3°	0.3°
C3	N1	C2	H1	90.0°	180.0°
N1	C3	C4	C7	90.0°	179.8°
N1	C3	C4	C1	90.0°	180.0°
N1	C3	C7	N2	90.0°	179.7°
N1	C3	C4	H15	90.0°	0.0°
N1	C3	C7	H18	90.0°	0.2°
C2	N1	C3	C4	90.0°	156.1°
C2	N1	C3	C7	90.0°	23.7°
C3	C4	C1	H15	90.0°	180.0°
C3	C4	C1	C5	90.0°	0.0°
C4	C3	C7	N2	90.0°	0.5°
C4	C3	N1	H1	90.0°	23.9°
C3	C4	C1	H16	90.0°	180.0°
C4	C3	C7	H18	90.0°	180.0°
C4	C1	C5	H16	90.0°	179.9°
C4	C1	C5	N2	90.0°	0.0°
C1	C4	C3	C7	90.0°	0.2°
C4	C1	C5	H17	90.0°	180.0°
C1	C5	N2	H17	90.0°	180.0°
C1	C5	N2	C7	90.0°	0.3°
C5	C1	C4	H15	90.0°	180.0°
C5	N2	C7	C3	90.0°	0.6°
N2	C5	C1	H16	90.0°	179.9°
C5	N2	C7	H18	90.0°	180.0°
N2	C7	C3	H18	90.0°	179.4°
C7	N2	C5	H17	90.0°	179.7°
C7	C3	N1	H1	90.0°	156.3°
C7	C3	C4	H15	90.0°	179.8°
H15	C4	C1	H16	90.0°	0.0°
H16	C1	C5	H17	90.0°	0.0°

Release date:	2013-02-01
Definition date:	2012-10-25
Last modified:	2013-02-01
Release status:	REL
Processing site:	RCSB
Derived from:	4HBP