1YA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	N8	sing	1.47Å	1.47Å
C7	C6	sing	1.54Å	1.52Å
N8	C8A	sing	1.39Å	1.33Å
O5	C18	doub	1.21Å	1.24Å
C6	N5	sing	1.47Å	1.42Å
C6	C9	sing	1.53Å	1.52Å
C18	N10	sing	1.35Å	1.42Å
C15	C16	doub	1.38Å	1.41Å	Aromatic
C15	C14	sing	1.39Å	1.39Å	Aromatic
C16	C11	sing	1.40Å	1.40Å	Aromatic
N10	C14	sing	1.39Å	1.39Å
N10	C9	sing	1.46Å	1.45Å
N5	C4A	sing	1.41Å	1.38Å
C8A	C4A	doub	1.39Å	1.39Å
C8A	N1	sing	1.34Å	1.36Å
C14	C13	doub	1.39Å	1.38Å	Aromatic
C4A	C4	sing	1.40Å	1.37Å
N1	C2	doub	1.32Å	1.33Å
C11	C17	sing	1.48Å	1.52Å
C11	C12	doub	1.40Å	1.40Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C2	N3	sing	1.36Å	1.34Å
C2	NA2	sing	1.37Å	1.37Å
C4	N3	sing	1.35Å	1.37Å
C4	O4	doub	1.22Å	1.33Å
O	C17	doub	1.22Å	1.23Å
C17	N	sing	1.35Å	1.37Å
N	CA	sing	1.47Å	1.48Å
CA	CT	sing	1.51Å	1.53Å
CA	CB	sing	1.53Å	1.53Å
CT	O2	doub	1.21Å	1.26Å
CT	O1	sing	1.34Å	1.26Å
CG	CB	sing	1.53Å	1.53Å
CG	CD	sing	1.51Å	1.51Å
OE2	CD	doub	1.21Å	1.25Å
CD	OE1	sing	1.34Å	1.25Å
NA2	H1	sing	0.97Å	1.00Å
NA2	H2	sing	0.97Å	1.00Å
N3	H3	sing	0.97Å	1.00Å
N5	H5	sing	0.97Å	1.00Å
C6	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
N	H16	sing	0.97Å	1.00Å
CA	H17	sing	1.09Å	1.10Å
CB	H18	sing	1.09Å	1.10Å
CB	H19	sing	1.09Å	1.10Å
CG	H20	sing	1.09Å	1.10Å
CG	H21	sing	1.09Å	1.10Å
OE1	H22	sing	0.97Å	0.95Å
O1	H23	sing	0.97Å	0.95Å
C18	H24	sing	1.08Å	1.08Å
N8	H4	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N8	C7	C6	109.8°	108.4°
C7	N8	C8A	121.3°	119.1°
N8	C7	H8	109.4°	109.7°
N8	C7	H9	109.4°	109.7°
C7	N8	H4	106.4°	120.5°
C7	C6	N5	110.7°	108.0°
C7	C6	C9	115.5°	109.8°
C7	C6	H7	109.6°	109.8°
C6	C7	H8	109.4°	109.7°
C6	C7	H9	109.4°	109.7°
N8	C8A	C4A	120.3°	119.8°
N8	C8A	N1	117.5°	120.5°
C8A	N8	H4	106.4°	120.4°
O5	C18	N10	121.7°	120.0°
O5	C18	H24	119.1°	120.0°
N5	C6	C9	100.4°	109.8°
C6	N5	C4A	115.7°	118.4°
C6	N5	H5	107.9°	120.8°
N5	C6	H7	110.9°	109.7°
C6	C9	N10	115.1°	109.5°
C9	C6	H7	109.5°	109.7°
C6	C9	H10	108.1°	109.5°
C6	C9	H11	108.1°	109.5°
C18	N10	C14	112.9°	119.9°
C18	N10	C9	119.4°	120.0°
N10	C18	H24	119.2°	120.0°
C16	C15	C14	122.4°	120.1°
C15	C16	C11	119.0°	119.9°
C16	C15	H14	118.8°	119.9°
C15	C16	H15	120.5°	120.1°
C15	C14	N10	128.0°	120.0°
C15	C14	C13	118.2°	120.1°
C14	C15	H14	118.8°	120.0°
C16	C11	C17	130.5°	120.1°
C16	C11	C12	117.0°	119.9°
C11	C16	H15	120.5°	120.0°
C14	N10	C9	126.9°	120.0°
N10	C14	C13	112.9°	119.9°
N10	C9	H10	108.0°	109.4°
N10	C9	H11	108.1°	109.4°
N5	C4A	C8A	120.6°	120.2°
N5	C4A	C4	120.6°	120.8°
C4A	N5	H5	107.9°	120.8°
C4A	C8A	N1	122.1°	119.7°
C8A	C4A	C4	118.2°	119.0°
C8A	N1	C2	115.6°	121.0°
C14	C13	C12	119.7°	120.1°
C14	C13	H13	120.2°	119.9°
C4A	C4	N3	119.5°	118.5°
C4A	C4	O4	125.8°	120.7°
N1	C2	N3	125.9°	121.6°
N1	C2	NA2	117.7°	119.2°
C17	C11	C12	112.4°	120.1°
C11	C17	O	117.5°	120.0°
C11	C17	N	114.1°	120.0°
C11	C12	C13	123.4°	119.9°
C11	C12	H12	118.3°	120.0°
C13	C12	H12	118.3°	120.1°
C12	C13	H13	120.1°	120.0°
N3	C2	NA2	116.4°	119.2°
C2	N3	C4	118.1°	120.2°
C2	N3	H3	121.0°	119.9°
C2	NA2	H1	120.0°	120.0°
C2	NA2	H2	120.0°	119.9°
N3	C4	O4	113.8°	120.8°
C4	N3	H3	121.0°	119.9°
O	C17	N	128.4°	120.0°
C17	N	CA	134.4°	120.0°
C17	N	H16	112.8°	120.0°
N	CA	CT	128.6°	109.4°
N	CA	CB	100.3°	109.5°
CA	N	H16	112.8°	120.0°
N	CA	H17	108.2°	109.5°
CT	CA	CB	102.7°	109.5°
CA	CT	O2	118.8°	120.0°
CA	CT	O1	127.4°	119.9°
CT	CA	H17	107.6°	109.5°
CA	CB	CG	114.3°	109.5°
CB	CA	H17	107.6°	109.5°
CA	CB	H18	108.3°	109.5°
CA	CB	H19	108.2°	109.5°
O2	CT	O1	113.7°	120.1°
CT	O1	H23	109.5°	116.9°
CB	CG	CD	106.7°	109.5°
CG	CB	H18	108.2°	109.5°
CG	CB	H19	108.3°	109.4°
CB	CG	H20	110.2°	109.5°
CB	CG	H21	110.2°	109.5°
CG	CD	OE2	118.9°	120.0°
CG	CD	OE1	118.8°	120.0°
CD	CG	H20	110.2°	109.5°
CD	CG	H21	110.2°	109.4°
OE2	CD	OE1	122.3°	119.9°
CD	OE1	H22	109.5°	117.0°
H1	NA2	H2	120.0°	120.1°
H8	C7	H9	109.5°	109.7°
H10	C9	H11	109.5°	109.4°
H18	CB	H19	109.5°	109.5°
H20	CG	H21	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N8	C7	C6	H8	120.0°	119.7°
N8	C7	C6	H9	120.0°	119.7°
C7	N8	C8A	H4	121.7°	180.0°
N8	C7	C6	N5	49.7°	56.4°
N8	C7	C6	C9	63.5°	63.3°
C7	N8	C8A	C4A	0.9°	17.2°
C7	N8	C8A	N1	177.9°	162.8°
N8	C7	C6	H7	172.4°	176.0°
N8	C7	H8	H9	119.8°	120.5°
C6	C7	N8	C8A	26.0°	45.7°
C7	C6	N5	C9	122.5°	119.7°
C7	C6	N5	H7	121.9°	119.7°
C7	C6	C9	H7	124.2°	120.7°
C7	C6	C9	N10	59.3°	173.6°
C7	C6	N5	C4A	49.5°	44.1°
C7	C6	N5	H5	71.4°	136.0°
C6	C7	H8	H9	119.8°	120.6°
C7	C6	C9	H10	61.5°	66.4°
C7	C6	C9	H11	179.9°	53.6°
C6	C7	N8	H4	95.7°	134.3°
N8	C8A	C4A	N5	4.1°	0.3°
N8	C8A	C4A	N1	176.8°	180.0°
N8	C8A	C4A	C4	176.1°	179.8°
N8	C8A	N1	C2	179.0°	179.8°
C8A	N8	C7	H8	94.1°	165.4°
C8A	N8	C7	H9	146.0°	74.1°
O5	C18	N10	H24	180.0°	180.0°
O5	C18	N10	C14	169.7°	4.9°
O5	C18	N10	C9	0.9°	175.1°
N5	C6	C9	H7	116.7°	120.7°
N5	C6	C9	N10	178.4°	55.0°
C6	N5	C4A	H5	120.9°	179.9°
C6	N5	C4A	C8A	22.8°	16.0°
C6	N5	C4A	C4	149.0°	164.1°
N5	C6	C7	H8	70.3°	176.1°
N5	C6	C7	H9	169.8°	63.4°
N5	C6	C9	H10	57.6°	175.0°
N5	C6	C9	H11	60.8°	65.0°
C6	C9	N10	C18	65.6°	90.0°
C6	C9	N10	C14	125.2°	90.0°
C6	C9	N10	H10	120.8°	120.1°
C6	C9	N10	H11	120.8°	120.0°
C9	C6	N5	C4A	73.0°	75.6°
C9	C6	N5	H5	166.1°	104.4°
C9	C6	C7	H8	176.5°	56.4°
C9	C6	C7	H9	56.5°	177.0°
C6	C9	H10	H11	117.5°	120.0°
C18	N10	C14	C15	65.5°	112.4°
C18	N10	C14	C9	169.8°	180.0°
C18	N10	C14	C13	103.6°	67.7°
C18	N10	C9	H10	173.6°	150.0°
C18	N10	C9	H11	55.2°	30.1°
C16	C15	C14	H14	180.0°	179.5°
C15	C16	C11	H15	180.0°	179.5°
C16	C15	C14	N10	175.4°	179.8°
C16	C15	C14	C13	6.8°	0.3°
C15	C16	C11	C17	176.6°	179.7°
C15	C16	C11	C12	3.4°	0.5°
C14	C15	C16	C11	6.0°	0.5°
C15	C14	N10	C13	169.1°	179.9°
C15	C14	N10	C9	124.8°	67.6°
C15	C14	C13	C12	5.0°	0.1°
C15	C14	C13	H13	175.0°	179.9°
C14	C15	C16	H15	174.0°	179.9°
C16	C11	C17	C12	180.0°	179.8°
C16	C11	C12	C13	1.9°	0.3°
C16	C11	C17	O	42.6°	179.8°
C16	C11	C17	N	136.3°	0.2°
C16	C11	C12	H12	178.1°	179.7°
C11	C16	C15	H14	173.9°	180.0°
N10	C14	C13	C12	175.3°	180.0°
C14	N10	C9	H10	4.4°	30.0°
C14	N10	C9	H11	114.0°	150.0°
N10	C14	C13	H13	4.7°	0.0°
N10	C14	C15	H14	4.6°	0.3°
C14	N10	C18	H24	10.3°	175.1°
C9	N10	C14	C13	66.1°	112.3°
N10	C9	C6	H7	64.9°	65.7°
N10	C9	H10	H11	117.4°	119.9°
C9	N10	C18	H24	179.1°	4.9°
N5	C4A	C8A	C4	172.0°	179.9°
N5	C4A	C8A	N1	179.0°	179.7°
N5	C4A	C4	N3	179.2°	179.8°
N5	C4A	C4	O4	10.9°	0.1°
C4A	N5	C6	H7	171.4°	163.8°
C4A	C8A	N1	C2	4.1°	0.2°
C8A	C4A	C4	N3	8.8°	0.0°
C8A	C4A	C4	O4	177.1°	180.0°
C8A	C4A	N5	H5	98.1°	164.1°
C4A	C8A	N8	H4	122.6°	162.8°
N1	C8A	C4A	C4	7.0°	0.2°
C8A	N1	C2	N3	3.2°	0.0°
C8A	N1	C2	NA2	178.5°	180.0°
N1	C8A	N8	H4	60.4°	17.2°
C14	C13	C12	C11	2.8°	0.0°
C14	C13	C12	H13	180.0°	180.0°
C14	C13	C12	H12	177.3°	180.0°
C13	C14	C15	H14	173.2°	179.8°
C4A	C4	N3	C2	7.9°	0.1°
C4A	C4	N3	O4	169.6°	179.9°
C4A	C4	N3	H3	172.2°	179.8°
C4	C4A	N5	H5	90.0°	15.8°
N1	C2	N3	NA2	178.3°	180.0°
N1	C2	N3	C4	5.2°	0.1°
N1	C2	NA2	H1	0.0°	0.0°
N1	C2	NA2	H2	180.0°	180.0°
N1	C2	N3	H3	174.8°	179.8°
C17	C11	C12	C13	178.1°	180.0°
C11	C17	O	N	178.7°	180.0°
C11	C17	N	CA	175.4°	180.0°
C17	C11	C12	H12	1.9°	0.0°
C17	C11	C16	H15	3.3°	0.2°
C11	C17	N	H16	4.6°	0.0°
C11	C12	C13	H12	180.0°	180.0°
C12	C11	C17	O	137.4°	0.0°
C12	C11	C17	N	43.7°	180.0°
C11	C12	C13	H13	177.2°	180.0°
C12	C11	C16	H15	176.6°	179.9°
C2	N3	C4	H3	180.0°	179.9°
C2	N3	C4	O4	177.5°	179.8°
N3	C2	NA2	H1	178.4°	180.0°
N3	C2	NA2	H2	1.6°	0.1°
NA2	C2	N3	C4	176.5°	179.9°
C2	NA2	H1	H2	180.0°	180.0°
NA2	C2	N3	H3	3.5°	0.2°
O4	C4	N3	H3	2.5°	0.2°
O	C17	N	CA	5.8°	0.0°
O	C17	N	H16	174.2°	180.0°
C17	N	CA	H16	180.0°	180.0°
C17	N	CA	CT	162.7°	85.0°
C17	N	CA	CB	81.8°	155.0°
C17	N	CA	H17	30.7°	35.0°
N	CA	CT	CB	114.4°	120.0°
N	CA	CT	H17	132.2°	120.0°
N	CA	CB	H17	113.0°	120.0°
N	CA	CT	O2	135.9°	0.0°
N	CA	CT	O1	48.1°	180.0°
N	CA	CB	CG	91.4°	65.0°
N	CA	CB	H18	29.3°	55.0°
N	CA	CB	H19	147.9°	175.0°
CT	CA	CB	H17	113.4°	120.0°
CA	CT	O2	O1	176.5°	180.0°
CT	CA	CB	CG	135.0°	175.0°
CT	CA	N	H16	17.3°	95.0°
CT	CA	CB	H18	104.3°	65.0°
CT	CA	CB	H19	14.2°	55.1°
CA	CT	O1	H23	176.1°	180.0°
CB	CA	CT	O2	109.6°	120.0°
CB	CA	CT	O1	66.3°	60.0°
CA	CB	CG	H18	120.7°	120.0°
CA	CB	CG	H19	120.7°	120.0°
CA	CB	CG	CD	175.4°	180.0°
CB	CA	N	H16	98.2°	24.9°
CA	CB	H18	H19	117.8°	120.0°
CA	CB	CG	H20	55.8°	60.0°
CA	CB	CG	H21	65.0°	60.0°
O2	CT	CA	H17	3.7°	120.0°
O2	CT	O1	H23	0.0°	0.0°
O1	CT	CA	H17	179.7°	60.0°
CB	CG	CD	H20	119.6°	120.0°
CB	CG	CD	H21	119.6°	120.0°
CB	CG	CD	OE2	115.2°	0.0°
CB	CG	CD	OE1	64.0°	180.0°
CG	CB	CA	H17	21.6°	55.0°
CG	CB	H18	H19	117.8°	120.0°
CB	CG	H20	H21	121.3°	120.0°
CG	CD	OE2	OE1	179.2°	180.0°
CD	CG	CB	H18	63.9°	60.0°
CD	CG	CB	H19	54.7°	60.0°
CD	CG	H20	H21	121.3°	120.0°
CG	CD	OE1	H22	179.2°	180.0°
OE2	CD	CG	H20	125.2°	120.0°
OE2	CD	CG	H21	4.4°	120.0°
OE2	CD	OE1	H22	0.0°	0.0°
OE1	CD	CG	H20	55.6°	60.0°
OE1	CD	CG	H21	176.4°	60.0°
H5	N5	C6	H7	50.5°	16.3°
H7	C6	C7	H8	52.3°	64.3°
H7	C6	C7	H9	67.6°	56.3°
H7	C6	C9	H10	174.3°	54.3°
H7	C6	C9	H11	56.0°	174.3°
H8	C7	N8	H4	144.3°	14.6°
H9	C7	N8	H4	24.3°	105.9°
H12	C12	C13	H13	2.7°	0.0°
H14	C15	C16	H15	6.1°	0.5°
H16	N	CA	H17	149.3°	145.0°
H17	CA	CB	H18	142.3°	175.0°
H17	CA	CB	H19	99.1°	65.0°
H18	CB	CG	H20	176.6°	180.0°
H18	CB	CG	H21	55.7°	60.0°
H19	CB	CG	H20	64.9°	60.0°
H19	CB	CG	H21	174.3°	180.0°

Release date:	2013-08-14
Definition date:	2013-08-01
Last modified:	2013-08-09
Release status:	REL
Processing site:	RCSB
Derived from:	4LY0