21V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NA2	C2	sing	1.37Å	1.35Å
N3	C2	doub	1.31Å	1.35Å
N3	C4	sing	1.34Å	1.35Å
O4	C4	doub	1.22Å	1.27Å
C2	N1	sing	1.36Å	1.35Å
C4	C4A	sing	1.41Å	1.36Å
N1	C8A	sing	1.37Å	1.36Å
C4A	C8A	doub	1.36Å	1.40Å
C4A	C5	sing	1.50Å	1.50Å
C8A	N8	sing	1.38Å	1.34Å
C5	C6	sing	1.53Å	1.51Å
N8	C7	sing	1.47Å	1.46Å
OE1	CD	doub	1.21Å	1.25Å
OE2	CD	sing	1.34Å	1.25Å
CD	CG	sing	1.51Å	1.52Å
C6	C7	sing	1.53Å	1.52Å
C6	C9	sing	1.53Å	1.52Å
C9	C10	sing	1.53Å	1.51Å
CG	CB	sing	1.53Å	1.53Å
C13	C12	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
CB	CA	sing	1.53Å	1.53Å
C12	C11	sing	1.40Å	1.40Å	Aromatic
C10	C14	sing	1.51Å	1.51Å
C14	C15	doub	1.38Å	1.39Å	Aromatic
C11	C	sing	1.48Å	1.50Å
C11	C16	doub	1.40Å	1.39Å	Aromatic
C	O	doub	1.22Å	1.22Å
C	N	sing	1.35Å	1.33Å
C15	C16	sing	1.38Å	1.39Å	Aromatic
N	CA	sing	1.46Å	1.45Å
CA	CT	sing	1.51Å	1.51Å
O1	CT	doub	1.21Å	1.26Å
CT	O2	sing	1.34Å	1.26Å
OE2	H1	sing	0.97Å	0.95Å
CG	H2	sing	1.09Å	1.10Å
CG	H3	sing	1.09Å	1.10Å
CB	H4	sing	1.09Å	1.10Å
CB	H5	sing	1.09Å	1.10Å
CA	H6	sing	1.09Å	1.10Å
O2	H7	sing	0.97Å	0.95Å
N	H8	sing	0.97Å	1.00Å
C12	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C10	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C6	H17	sing	1.09Å	1.10Å
C7	H18	sing	1.09Å	1.10Å
C7	H19	sing	1.09Å	1.10Å
C5	H20	sing	1.09Å	1.10Å
C5	H21	sing	1.09Å	1.10Å
NA2	H24	sing	0.97Å	1.00Å
NA2	H25	sing	0.97Å	1.00Å
N8	H26	sing	0.97Å	1.00Å
N1	H22	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NA2	C2	N3	119.1°	119.5°
NA2	C2	N1	119.4°	119.4°
C2	NA2	H24	120.0°	120.0°
C2	NA2	H25	120.0°	120.0°
C2	N3	C4	121.3°	121.0°
N3	C2	N1	121.4°	121.1°
N3	C4	O4	121.6°	120.2°
N3	C4	C4A	118.2°	119.7°
O4	C4	C4A	120.2°	120.1°
C2	N1	C8A	119.2°	120.2°
C2	N1	H22	120.4°	119.9°
C4	C4A	C8A	120.6°	118.7°
C4	C4A	C5	116.8°	119.3°
N1	C8A	C4A	119.3°	119.3°
N1	C8A	N8	119.2°	119.4°
C8A	N1	H22	120.4°	119.9°
C8A	C4A	C5	122.6°	122.0°
C4A	C8A	N8	121.5°	121.3°
C4A	C5	C6	110.0°	110.4°
C4A	C5	H20	109.3°	109.3°
C4A	C5	H21	109.4°	109.1°
C8A	N8	C7	121.2°	119.2°
C8A	N8	H26	106.5°	120.4°
C5	C6	C7	112.8°	108.7°
C5	C6	C9	103.3°	109.6°
C5	C6	H17	110.7°	109.7°
C6	C5	H20	109.3°	109.4°
C6	C5	H21	109.3°	109.3°
N8	C7	C6	113.4°	107.8°
N8	C7	H18	108.5°	109.8°
N8	C7	H19	108.5°	109.9°
C7	N8	H26	106.5°	120.4°
OE1	CD	OE2	122.3°	120.0°
OE1	CD	CG	118.8°	120.0°
OE2	CD	CG	118.9°	120.1°
CD	OE2	H1	109.5°	117.1°
CD	CG	CB	111.6°	109.5°
CD	CG	H2	109.0°	109.4°
CD	CG	H3	109.0°	109.4°
C7	C6	C9	108.6°	109.6°
C7	C6	H17	110.5°	109.6°
C6	C7	H18	108.5°	109.8°
C6	C7	H19	108.5°	109.8°
C6	C9	C10	108.1°	109.4°
C6	C9	H15	109.8°	109.5°
C6	C9	H16	109.8°	109.5°
C9	C6	H17	110.6°	109.6°
C9	C10	C14	110.7°	109.4°
C9	C10	H13	109.2°	109.5°
C9	C10	H14	109.2°	109.5°
C10	C9	H15	109.8°	109.5°
C10	C9	H16	109.8°	109.5°
CG	CB	CA	112.7°	109.4°
CB	CG	H2	108.9°	109.5°
CB	CG	H3	108.9°	109.5°
CG	CB	H4	108.7°	109.5°
CG	CB	H5	108.6°	109.5°
C12	C13	C14	119.8°	120.2°
C13	C12	C11	119.8°	119.8°
C13	C12	H9	120.1°	120.1°
C12	C13	H10	120.1°	119.9°
C13	C14	C10	121.5°	119.8°
C13	C14	C15	119.8°	120.3°
C14	C13	H10	120.1°	120.0°
CB	CA	N	111.4°	109.5°
CB	CA	CT	110.1°	109.4°
CA	CB	H4	108.6°	109.5°
CA	CB	H5	108.7°	109.5°
CB	CA	H6	107.6°	109.5°
C12	C11	C	122.2°	120.1°
C12	C11	C16	120.3°	119.7°
C11	C12	H9	120.1°	120.1°
C10	C14	C15	118.6°	119.9°
C14	C10	H13	109.2°	109.5°
C14	C10	H14	109.2°	109.5°
C14	C15	C16	120.8°	120.1°
C14	C15	H12	119.6°	119.9°
C	C11	C16	117.5°	120.2°
C11	C	O	119.8°	120.0°
C11	C	N	117.1°	120.0°
C11	C16	C15	119.4°	119.9°
C11	C16	H11	120.3°	120.0°
O	C	N	123.0°	120.0°
C	N	CA	124.7°	120.0°
C	N	H8	117.7°	120.0°
C15	C16	H11	120.3°	120.0°
C16	C15	H12	119.6°	119.9°
N	CA	CT	111.3°	109.5°
N	CA	H6	108.5°	109.5°
CA	N	H8	117.7°	120.0°
CA	CT	O1	118.6°	120.0°
CA	CT	O2	118.7°	120.0°
CT	CA	H6	107.8°	109.5°
O1	CT	O2	122.7°	120.0°
CT	O2	H7	109.5°	117.0°
H2	CG	H3	109.5°	109.5°
H4	CB	H5	109.5°	109.4°
H13	C10	H14	109.4°	109.4°
H15	C9	H16	109.4°	109.5°
H18	C7	H19	109.5°	109.8°
H20	C5	H21	109.5°	109.3°
H24	NA2	H25	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NA2	C2	N3	N1	178.3°	180.0°
NA2	C2	N3	C4	178.9°	180.0°
NA2	C2	N1	C8A	178.3°	180.0°
C2	NA2	H24	H25	180.0°	180.0°
NA2	C2	N1	H22	1.7°	0.0°
C2	N3	C4	O4	179.4°	180.0°
C2	N3	C4	C4A	0.2°	0.1°
N3	C2	N1	C8A	0.1°	0.0°
N3	C2	NA2	H24	0.0°	180.0°
N3	C2	NA2	H25	180.0°	0.0°
N3	C2	N1	H22	179.9°	180.0°
N3	C4	O4	C4A	179.6°	179.9°
C4	N3	C2	N1	0.6°	0.0°
N3	C4	C4A	C8A	0.7°	0.3°
N3	C4	C4A	C5	179.4°	179.6°
O4	C4	C4A	C8A	179.7°	179.8°
O4	C4	C4A	C5	0.2°	0.3°
C2	N1	C8A	H22	180.0°	179.9°
C2	N1	C8A	C4A	1.0°	0.2°
C2	N1	C8A	N8	178.4°	179.7°
N1	C2	NA2	H24	178.4°	0.0°
N1	C2	NA2	H25	1.6°	180.0°
C4	C4A	C8A	N1	1.3°	0.3°
C4	C4A	C8A	C5	179.9°	179.9°
C4	C4A	C8A	N8	178.7°	179.5°
C4	C4A	C5	C6	158.0°	160.0°
C4	C4A	C5	H20	81.9°	39.6°
C4	C4A	C5	H21	38.0°	79.9°
N1	C8A	C4A	N8	177.4°	179.9°
N1	C8A	C4A	C5	178.8°	179.6°
N1	C8A	N8	C7	177.4°	166.3°
N1	C8A	N8	H26	61.0°	13.7°
C8A	C4A	C5	C6	21.8°	20.1°
C4A	C8A	N8	C7	0.0°	13.8°
C8A	C4A	C5	H20	98.2°	140.5°
C8A	C4A	C5	H21	141.9°	100.1°
C4A	C8A	N8	H26	121.6°	166.2°
C4A	C8A	N1	H22	179.0°	179.8°
C5	C4A	C8A	N8	1.4°	0.5°
C4A	C5	C6	H20	120.1°	120.3°
C4A	C5	C6	H21	120.1°	120.0°
C4A	C5	C6	C7	45.0°	50.1°
C4A	C5	C6	C9	162.1°	169.9°
C4A	C5	C6	H17	79.5°	69.7°
C4A	C5	H20	H21	119.8°	119.4°
C8A	N8	C7	H26	121.7°	180.0°
C8A	N8	C7	C6	24.8°	44.6°
C8A	N8	C7	H18	145.4°	74.9°
C8A	N8	C7	H19	95.8°	164.2°
N8	C8A	N1	H22	1.6°	0.3°
C5	C6	C7	N8	47.9°	62.0°
C5	C6	C7	C9	113.9°	119.8°
C5	C6	C7	H17	124.6°	119.9°
C5	C6	C9	H17	118.5°	120.5°
C5	C6	C9	C10	136.6°	175.8°
C5	C6	C9	H15	103.6°	55.8°
C5	C6	C9	H16	16.8°	64.2°
C5	C6	C7	H18	168.5°	57.6°
C5	C6	C7	H19	72.6°	178.3°
C6	C5	H20	H21	119.8°	119.7°
N8	C7	C6	H18	120.6°	119.6°
N8	C7	C6	H19	120.6°	119.7°
N8	C7	C6	C9	161.9°	178.2°
N8	C7	C6	H17	76.6°	57.9°
N8	C7	H18	H19	118.2°	120.9°
OE1	CD	OE2	CG	180.0°	179.9°
OE1	CD	CG	CB	137.4°	0.1°
OE1	CD	OE2	H1	0.0°	0.1°
OE1	CD	CG	H2	102.3°	120.0°
OE1	CD	CG	H3	17.1°	120.1°
OE2	CD	CG	CB	42.6°	180.0°
OE2	CD	CG	H2	77.7°	60.0°
OE2	CD	CG	H3	162.9°	60.0°
CD	CG	CB	H2	120.3°	120.0°
CD	CG	CB	H3	120.3°	120.0°
CD	CG	CB	CA	78.4°	180.0°
CG	CD	OE2	H1	180.0°	180.0°
CD	CG	H2	H3	119.1°	119.9°
CD	CG	CB	H4	42.1°	60.0°
CD	CG	CB	H5	161.1°	60.0°
C7	C6	C9	H17	121.4°	120.4°
C7	C6	C9	C10	103.3°	65.0°
C7	C6	C9	H15	16.5°	175.0°
C7	C6	C9	H16	136.9°	55.0°
C6	C7	H18	H19	118.2°	120.8°
C7	C6	C5	H20	75.1°	170.4°
C7	C6	C5	H21	165.1°	70.0°
C6	C7	N8	H26	96.8°	135.4°
C6	C9	C10	H15	119.8°	120.0°
C6	C9	C10	H16	119.8°	120.0°
C6	C9	C10	C14	63.6°	180.0°
C6	C9	C10	H13	56.7°	60.0°
C6	C9	C10	H14	176.3°	60.0°
C6	C9	H15	H16	120.6°	120.0°
C9	C6	C7	H18	77.6°	62.2°
C9	C6	C7	H19	41.3°	58.6°
C9	C6	C5	H20	42.0°	69.8°
C9	C6	C5	H21	77.8°	49.8°
C9	C10	C14	C13	77.7°	90.0°
C9	C10	C14	H13	120.2°	120.0°
C9	C10	C14	H14	120.2°	120.0°
C9	C10	C14	C15	103.9°	89.8°
C9	C10	H13	H14	119.4°	120.0°
C10	C9	H15	H16	120.6°	120.0°
C10	C9	C6	H17	18.1°	55.4°
CG	CB	CA	H4	120.5°	120.1°
CG	CB	CA	H5	120.5°	120.0°
CG	CB	CA	N	51.4°	65.0°
CG	CB	CA	CT	72.6°	175.0°
CB	CG	H2	H3	119.0°	120.1°
CG	CB	H4	H5	118.5°	120.0°
CG	CB	CA	H6	170.2°	55.1°
C12	C13	C14	H10	180.0°	180.0°
C13	C12	C11	H9	180.0°	179.9°
C12	C13	C14	C10	179.6°	179.9°
C12	C13	C14	C15	1.2°	0.3°
C13	C12	C11	C	179.0°	179.9°
C13	C12	C11	C16	0.2°	0.2°
C14	C13	C12	C11	0.8°	0.1°
C13	C14	C10	C15	178.4°	179.8°
C13	C14	C15	C16	0.9°	0.3°
C14	C13	C12	H9	179.2°	179.9°
C13	C14	C15	H12	179.0°	179.8°
C13	C14	C10	H13	162.1°	149.9°
C13	C14	C10	H14	42.5°	30.0°
CB	CA	N	C	75.9°	155.0°
CB	CA	N	CT	123.3°	120.0°
CB	CA	N	H6	118.3°	120.0°
CB	CA	CT	H6	117.1°	120.0°
CB	CA	CT	O1	105.2°	120.0°
CB	CA	CT	O2	74.3°	60.0°
CA	CB	CG	H2	161.3°	60.0°
CA	CB	CG	H3	41.9°	60.1°
CA	CB	H4	H5	118.5°	120.0°
CB	CA	N	H8	104.1°	25.0°
C12	C11	C	C16	179.2°	179.7°
C12	C11	C	O	25.2°	179.8°
C12	C11	C	N	156.1°	0.3°
C12	C11	C16	C15	0.0°	0.2°
C11	C12	C13	H10	179.2°	180.0°
C12	C11	C16	H11	180.0°	179.8°
C10	C14	C15	C16	179.4°	179.9°
C10	C14	C13	H10	0.4°	0.1°
C10	C14	C15	H12	0.6°	0.0°
C14	C10	H13	H14	119.4°	120.0°
C14	C10	C9	H15	176.6°	60.0°
C14	C10	C9	H16	56.3°	60.0°
C14	C15	C16	C11	0.3°	0.0°
C14	C15	C16	H12	180.0°	180.0°
C15	C14	C13	H10	178.8°	179.7°
C14	C15	C16	H11	179.7°	180.0°
C15	C14	C10	H13	16.3°	30.3°
C15	C14	C10	H14	135.9°	150.3°
C11	C	O	N	178.6°	180.0°
C	C11	C16	C15	179.3°	180.0°
C11	C	N	CA	179.0°	180.0°
C11	C	N	H8	1.0°	0.0°
C	C11	C12	H9	1.0°	0.1°
C	C11	C16	H11	0.8°	0.0°
C16	C11	C	O	154.0°	0.0°
C16	C11	C	N	24.7°	180.0°
C11	C16	C15	H11	180.0°	180.0°
C16	C11	C12	H9	179.8°	179.7°
C11	C16	C15	H12	179.7°	180.0°
O	C	N	CA	0.4°	0.1°
O	C	N	H8	179.6°	180.0°
C	N	CA	H8	180.0°	180.0°
C	N	CA	CT	160.8°	85.0°
C	N	CA	H6	42.4°	35.0°
N	CA	CT	H6	118.9°	120.0°
N	CA	CT	O1	18.8°	0.0°
N	CA	CT	O2	161.7°	179.9°
N	CA	CB	H4	69.1°	175.0°
N	CA	CB	H5	171.9°	55.0°
CA	CT	O1	O2	179.5°	179.9°
CT	CA	CB	H4	166.9°	55.0°
CT	CA	CB	H5	47.9°	65.0°
CA	CT	O2	H7	179.5°	180.0°
CT	CA	N	H8	19.2°	95.0°
O1	CT	CA	H6	137.8°	120.0°
O1	CT	O2	H7	0.0°	0.0°
O2	CT	CA	H6	42.7°	59.9°
H2	CG	CB	H4	78.3°	179.9°
H2	CG	CB	H5	40.8°	60.0°
H3	CG	CB	H4	162.4°	60.0°
H3	CG	CB	H5	78.6°	180.0°
H4	CB	CA	H6	49.7°	65.0°
H5	CB	CA	H6	69.3°	175.0°
H6	CA	N	H8	137.7°	145.0°
H9	C12	C13	H10	0.8°	0.1°
H11	C16	C15	H12	0.4°	0.0°
H13	C10	C9	H15	63.1°	180.0°
H13	C10	C9	H16	176.5°	60.0°
H14	C10	C9	H15	56.5°	60.0°
H14	C10	C9	H16	63.9°	NaN°
H15	C9	C6	H17	137.9°	64.6°
H16	C9	C6	H17	101.7°	175.4°
H17	C6	C7	H18	43.9°	177.4°
H17	C6	C7	H19	162.8°	61.8°
H17	C6	C5	H20	160.4°	50.6°
H17	C6	C5	H21	40.6°	170.2°
H18	C7	N8	H26	23.8°	105.0°
H19	C7	N8	H26	142.6°	15.8°

Release date:	2013-09-25
Definition date:	2013-08-22
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	4M6L