5DA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C15	sing	1.51Å	1.51Å
C16	N12	sing	1.34Å	1.36Å	Aromatic
C16	C18	doub	1.34Å	1.39Å	Aromatic
N12	C10	doub	1.31Å	1.36Å	Aromatic
C15	O14	sing	1.35Å	1.37Å	Aromatic
C15	C14	doub	1.36Å	1.48Å	Aromatic
C18	C19	sing	1.51Å	1.51Å
C18	O11	sing	1.35Å	1.37Å	Aromatic
C10	C14	sing	1.48Å	1.49Å
C10	O11	sing	1.34Å	1.36Å	Aromatic
O14	C13	sing	1.34Å	1.38Å	Aromatic
C14	N16	sing	1.36Å	1.35Å	Aromatic
C7	C5	sing	1.51Å	1.50Å
C13	N16	doub	1.31Å	1.36Å	Aromatic
C13	C12	sing	1.48Å	1.49Å
N2	C12	sing	1.32Å	1.37Å	Aromatic
N2	C8	doub	1.30Å	1.35Å	Aromatic
C12	C11	doub	1.35Å	1.41Å	Aromatic
C5	O9	sing	1.35Å	1.36Å	Aromatic
C5	C3	doub	1.36Å	1.47Å	Aromatic
O9	C6	sing	1.34Å	1.38Å	Aromatic
C8	C3	sing	1.48Å	1.47Å
C8	S1	sing	1.76Å	1.72Å	Aromatic
C11	S1	sing	1.76Å	1.74Å	Aromatic
C3	N1	sing	1.35Å	1.34Å	Aromatic
C9	N	sing	1.47Å	1.43Å
N	CA	sing	1.47Å	1.45Å
C6	N1	doub	1.31Å	1.36Å	Aromatic
C6	C2	sing	1.48Å	1.49Å
N3	C2	sing	1.33Å	1.36Å	Aromatic
N3	C4	doub	1.29Å	1.35Å	Aromatic
C2	C1	doub	1.35Å	1.40Å	Aromatic
CA	C4	sing	1.51Å	1.48Å
CA	CB	sing	1.53Å	1.53Å
C4	S5	sing	1.71Å	1.74Å	Aromatic
CG	CB	sing	1.53Å	1.54Å
CG	CD	sing	1.53Å	1.53Å
C1	S5	sing	1.76Å	1.74Å	Aromatic
CD	NE	sing	1.46Å	1.46Å
NE	CZ	sing	1.37Å	1.26Å
NH1	CZ	doub	1.30Å	1.33Å
CZ	NH2	sing	1.37Å	1.34Å
NH1	H1	sing	0.97Å	1.00Å
NH2	H2	sing	0.97Å	1.00Å
NH2	H3	sing	0.97Å	1.00Å
NE	H4	sing	0.97Å	1.00Å
CD	H5	sing	1.09Å	1.10Å
CD	H6	sing	1.09Å	1.10Å
CG	H7	sing	1.09Å	1.10Å
CG	H8	sing	1.09Å	1.10Å
CB	H9	sing	1.09Å	1.10Å
CB	H10	sing	1.09Å	1.10Å
CA	H11	sing	1.09Å	1.10Å
N	H12	sing	1.01Å	1.00Å
C1	H14	sing	1.08Å	1.08Å
C7	H15	sing	1.09Å	1.10Å
C7	H16	sing	1.09Å	1.10Å
C7	H17	sing	1.09Å	1.10Å
C11	H18	sing	1.08Å	1.08Å
C17	H19	sing	1.09Å	1.10Å
C17	H20	sing	1.09Å	1.10Å
C17	H21	sing	1.09Å	1.10Å
C9	H22	sing	1.09Å	1.10Å
C9	H23	sing	1.09Å	1.10Å
C9	H24	sing	1.09Å	1.10Å
C16	H25	sing	1.08Å	1.08Å
C19	H26	sing	1.09Å	1.10Å
C19	H27	sing	1.09Å	1.10Å
C19	H28	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C15	O14	117.3°	126.4°
C17	C15	C14	136.6°	126.5°
C15	C17	H19	109.5°	109.5°
C15	C17	H20	109.5°	109.5°
C15	C17	H21	109.5°	109.5°
N12	C16	C18	104.4°	107.8°
C16	N12	C10	105.9°	108.6°
N12	C16	H25	127.8°	126.1°
C16	C18	C19	122.6°	126.4°
C16	C18	O11	115.0°	107.3°
C18	C16	H25	127.8°	126.1°
N12	C10	C14	122.8°	125.8°
N12	C10	O11	115.7°	108.5°
O14	C15	C14	106.0°	107.1°
C15	O14	C13	103.2°	108.1°
C15	C14	C10	125.3°	126.3°
C15	C14	N16	111.4°	107.4°
C19	C18	O11	122.5°	126.3°
C18	C19	H26	109.5°	109.4°
C18	C19	H27	109.5°	109.5°
C18	C19	H28	109.5°	109.4°
C18	O11	C10	99.1°	107.7°
C14	C10	O11	121.5°	125.7°
C10	C14	N16	123.4°	126.4°
O14	C13	N16	117.8°	109.0°
O14	C13	C12	119.7°	125.6°
C14	N16	C13	101.5°	108.4°
C7	C5	O9	118.6°	126.4°
C7	C5	C3	135.7°	126.4°
C5	C7	H15	109.5°	109.5°
C5	C7	H16	109.4°	109.5°
C5	C7	H17	109.5°	109.5°
N16	C13	C12	122.4°	125.5°
C13	C12	N2	116.9°	122.3°
C13	C12	C11	121.7°	122.4°
C12	N2	C8	107.8°	117.0°
N2	C12	C11	121.3°	115.3°
N2	C8	C3	125.4°	125.2°
N2	C8	S1	114.2°	109.5°
C12	C11	S1	103.7°	108.2°
C12	C11	H18	128.2°	125.9°
O9	C5	C3	105.7°	107.1°
C5	O9	C6	103.3°	108.0°
C5	C3	C8	124.2°	126.3°
C5	C3	N1	112.5°	107.5°
O9	C6	N1	117.9°	108.9°
O9	C6	C2	119.8°	125.5°
C3	C8	S1	120.4°	125.3°
C8	C3	N1	123.3°	126.3°
C8	S1	C11	93.0°	90.1°
S1	C11	H18	128.2°	125.9°
C3	N1	C6	100.5°	108.5°
C9	N	CA	118.3°	111.0°
C9	N	H12	107.2°	111.0°
N	C9	H22	109.5°	109.5°
N	C9	H23	109.5°	109.5°
N	C9	H24	109.5°	109.4°
N	CA	C4	107.3°	109.5°
N	CA	CB	110.3°	109.5°
N	CA	H11	109.2°	109.5°
CA	N	H12	107.2°	111.0°
N1	C6	C2	122.1°	125.5°
C6	C2	N3	116.1°	123.0°
C6	C2	C1	122.6°	123.0°
C2	N3	C4	111.1°	117.2°
N3	C2	C1	121.2°	113.9°
N3	C4	CA	131.2°	124.7°
N3	C4	S5	109.8°	110.6°
C2	C1	S5	102.6°	107.9°
C2	C1	H14	128.7°	126.1°
C4	CA	CB	113.0°	109.5°
CA	C4	S5	119.0°	124.7°
C4	CA	H11	108.8°	109.4°
CA	CB	CG	114.8°	109.5°
CA	CB	H9	108.1°	109.5°
CA	CB	H10	108.1°	109.4°
CB	CA	H11	108.1°	109.4°
C4	S5	C1	95.3°	90.5°
CB	CG	CD	108.7°	109.5°
CB	CG	H7	109.6°	109.5°
CB	CG	H8	109.7°	109.5°
CG	CB	H9	108.1°	109.5°
CG	CB	H10	108.1°	109.5°
CG	CD	NE	108.0°	109.5°
CG	CD	H5	109.8°	109.5°
CG	CD	H6	109.8°	109.4°
CD	CG	H7	109.7°	109.5°
CD	CG	H8	109.7°	109.5°
S5	C1	H14	128.7°	126.1°
CD	NE	CZ	127.5°	120.0°
CD	NE	H4	116.2°	120.0°
NE	CD	H5	109.9°	109.5°
NE	CD	H6	109.8°	109.5°
NE	CZ	NH1	119.7°	120.0°
NE	CZ	NH2	121.1°	120.0°
CZ	NE	H4	116.2°	120.0°
NH1	CZ	NH2	119.2°	120.0°
CZ	NH1	H1	112.0°	120.0°
CZ	NH2	H2	120.0°	120.0°
CZ	NH2	H3	120.0°	120.0°
H2	NH2	H3	120.0°	120.0°
H5	CD	H6	109.5°	109.5°
H7	CG	H8	109.5°	109.4°
H9	CB	H10	109.5°	109.5°
H15	C7	H16	109.5°	109.5°
H15	C7	H17	109.5°	109.4°
H16	C7	H17	109.5°	109.4°
H19	C17	H20	109.5°	109.5°
H19	C17	H21	109.5°	109.5°
H20	C17	H21	109.5°	109.4°
H22	C9	H23	109.4°	109.5°
H22	C9	H24	109.5°	109.4°
H23	C9	H24	109.5°	109.5°
H26	C19	H27	109.4°	109.5°
H26	C19	H28	109.5°	109.5°
H27	C19	H28	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C15	O14	C14	179.6°	180.0°
C17	C15	C14	C10	0.8°	0.0°
C17	C15	O14	C13	179.3°	180.0°
C17	C15	C14	N16	179.9°	180.0°
C15	C17	H19	H20	120.0°	120.0°
C15	C17	H19	H21	120.0°	120.1°
C15	C17	H20	H21	120.0°	120.0°
N12	C16	C18	H25	180.0°	179.8°
N12	C16	C18	C19	180.0°	180.0°
N12	C16	C18	O11	0.1°	0.0°
C16	N12	C10	C14	179.5°	180.0°
C16	N12	C10	O11	0.6°	0.3°
C18	C16	N12	C10	0.4°	0.2°
C16	C18	C19	O11	179.9°	179.9°
C16	C18	O11	C10	0.2°	0.1°
C16	C18	C19	H26	179.9°	90.0°
C16	C18	C19	H27	60.1°	150.0°
C16	C18	C19	H28	59.9°	30.0°
N12	C10	C14	C15	27.2°	0.3°
N12	C10	O11	C18	0.5°	0.3°
N12	C10	C14	O11	178.8°	179.7°
N12	C10	C14	N16	152.1°	179.6°
C10	N12	C16	H25	179.6°	180.0°
O14	C15	C14	C10	179.7°	180.0°
O14	C15	C14	N16	0.3°	0.0°
C15	O14	C13	N16	0.9°	0.0°
C15	O14	C13	C12	178.5°	179.8°
O14	C15	C17	H19	0.0°	0.0°
O14	C15	C17	H20	120.0°	120.0°
O14	C15	C17	H21	120.0°	120.1°
C15	C14	C10	N16	179.3°	180.0°
C15	C14	C10	O11	154.0°	180.0°
C14	C15	O14	C13	0.3°	0.0°
C15	C14	N16	C13	0.8°	0.0°
C14	C15	C17	H19	179.5°	180.0°
C14	C15	C17	H20	59.5°	60.0°
C14	C15	C17	H21	60.5°	59.9°
C19	C18	O11	C10	179.6°	179.8°
C19	C18	C16	H25	0.0°	0.2°
C18	C19	H26	H27	120.0°	120.0°
C18	C19	H26	H28	120.0°	119.9°
C18	C19	H27	H28	120.0°	119.9°
C18	O11	C10	C14	179.4°	180.0°
O11	C18	C16	H25	179.9°	179.8°
O11	C18	C19	H26	0.0°	90.0°
O11	C18	C19	H27	120.0°	30.1°
O11	C18	C19	H28	120.0°	150.1°
C10	C14	N16	C13	179.8°	180.0°
O11	C10	C14	N16	26.7°	0.0°
O14	C13	N16	C14	1.1°	0.0°
O14	C13	N16	C12	177.5°	179.8°
O14	C13	C12	N2	14.9°	179.4°
O14	C13	C12	C11	167.2°	0.3°
C14	N16	C13	C12	178.6°	179.7°
C7	C5	O9	C3	179.7°	180.0°
C7	C5	O9	C6	179.1°	180.0°
C7	C5	C3	C8	0.5°	0.0°
C7	C5	C3	N1	179.6°	180.0°
C5	C7	H15	H16	120.0°	120.1°
C5	C7	H15	H17	120.0°	120.0°
C5	C7	H16	H17	120.0°	120.0°
N16	C13	C12	N2	162.6°	0.3°
N16	C13	C12	C11	15.3°	180.0°
C13	C12	N2	C11	177.9°	179.7°
C13	C12	N2	C8	178.5°	179.8°
C13	C12	C11	S1	178.8°	180.0°
C13	C12	C11	H18	1.1°	0.0°
C12	N2	C8	C3	178.9°	179.8°
C12	N2	C8	S1	0.2°	0.5°
N2	C12	C11	S1	1.0°	0.3°
N2	C12	C11	H18	179.0°	179.7°
C8	N2	C12	C11	0.6°	0.5°
N2	C8	C3	C5	19.1°	179.7°
N2	C8	C3	S1	178.7°	179.7°
N2	C8	S1	C11	0.7°	0.3°
N2	C8	C3	N1	161.8°	0.2°
C12	C11	S1	C8	0.9°	0.0°
C12	C11	S1	H18	180.0°	180.0°
O9	C5	C3	C8	179.2°	180.0°
O9	C5	C3	N1	0.0°	0.1°
C5	O9	C6	N1	2.3°	0.0°
C5	O9	C6	C2	177.3°	179.7°
O9	C5	C7	H15	0.0°	0.0°
O9	C5	C7	H16	120.0°	120.1°
O9	C5	C7	H17	120.0°	120.0°
C3	C5	O9	C6	1.2°	0.0°
C5	C3	C8	N1	179.0°	179.9°
C5	C3	C8	S1	159.5°	0.0°
C5	C3	N1	C6	1.3°	0.1°
C3	C5	C7	H15	179.6°	180.0°
C3	C5	C7	H16	59.6°	59.9°
C3	C5	C7	H17	60.4°	60.0°
O9	C6	N1	C3	2.2°	0.0°
O9	C6	N1	C2	174.9°	179.7°
O9	C6	C2	N3	9.2°	0.3°
O9	C6	C2	C1	175.2°	179.7°
C3	C8	S1	C11	179.5°	180.0°
C8	C3	N1	C6	179.6°	180.0°
S1	C8	C3	N1	19.5°	180.0°
C8	S1	C11	H18	179.1°	180.0°
C3	N1	C6	C2	177.2°	179.7°
C9	N	CA	H12	121.3°	123.9°
C9	N	CA	C4	145.3°	87.5°
C9	N	CA	CB	91.2°	152.5°
C9	N	CA	H11	27.5°	32.5°
N	C9	H22	H23	120.0°	120.0°
N	C9	H22	H24	120.0°	119.9°
N	C9	H23	H24	120.0°	120.0°
N	CA	C4	N3	1.1°	134.7°
N	CA	C4	CB	121.9°	120.0°
N	CA	C4	H11	118.0°	120.0°
N	CA	CB	H11	119.3°	120.0°
N	CA	C4	S5	178.6°	45.5°
N	CA	CB	CG	67.9°	65.0°
N	CA	CB	H9	171.4°	175.0°
N	CA	CB	H10	52.9°	55.0°
CA	N	C9	H22	180.0°	175.6°
CA	N	C9	H23	60.0°	55.6°
CA	N	C9	H24	60.0°	64.4°
N1	C6	C2	N3	165.7°	180.0°
N1	C6	C2	C1	9.9°	0.0°
C6	C2	N3	C1	175.7°	180.0°
C6	C2	N3	C4	177.8°	180.0°
C6	C2	C1	S5	176.9°	179.8°
C6	C2	C1	H14	3.1°	0.0°
C2	N3	C4	CA	178.7°	180.0°
C2	N3	C4	S5	1.5°	0.2°
N3	C2	C1	S5	1.5°	0.2°
N3	C2	C1	H14	178.5°	180.0°
C4	N3	C2	C1	2.1°	0.0°
N3	C4	CA	S5	179.7°	179.8°
N3	C4	CA	CB	120.8°	105.2°
N3	C4	S5	C1	0.6°	0.2°
N3	C4	CA	H11	119.1°	14.7°
C2	C1	S5	C4	0.4°	0.2°
C2	C1	S5	H14	180.0°	179.8°
C4	CA	CB	H11	120.5°	120.0°
C4	CA	CB	CG	52.3°	175.0°
CA	C4	S5	C1	179.6°	180.0°
C4	CA	CB	H9	68.4°	54.9°
C4	CA	CB	H10	173.1°	65.0°
C4	CA	N	H12	93.4°	148.6°
CB	CA	C4	S5	59.5°	74.6°
CA	CB	CG	H9	120.8°	120.0°
CA	CB	CG	H10	120.8°	120.0°
CA	CB	CG	CD	146.3°	NaN°
CA	CB	CG	H7	26.4°	60.0°
CA	CB	CG	H8	93.8°	60.0°
CA	CB	H9	H10	117.6°	119.9°
CB	CA	N	H12	30.1°	28.6°
S5	C4	CA	H11	60.6°	165.5°
C4	S5	C1	H14	179.6°	179.9°
CB	CG	CD	H7	119.9°	120.0°
CB	CG	CD	H8	119.9°	120.0°
CB	CG	CD	NE	167.5°	180.0°
CB	CG	CD	H5	47.7°	60.0°
CB	CG	CD	H6	72.8°	60.0°
CB	CG	H7	H8	120.3°	120.0°
CG	CB	H9	H10	117.6°	120.0°
CG	CB	CA	H11	172.8°	55.0°
CG	CD	NE	H5	119.8°	120.0°
CG	CD	NE	H6	119.8°	120.0°
CG	CD	NE	CZ	87.5°	180.0°
CG	CD	NE	H4	92.5°	0.0°
CG	CD	H5	H6	120.7°	119.9°
CD	CG	H7	H8	120.3°	120.0°
CD	CG	CB	H9	92.9°	60.0°
CD	CG	CB	H10	25.5°	60.0°
CD	NE	CZ	H4	180.0°	180.0°
CD	NE	CZ	NH1	179.9°	180.0°
CD	NE	CZ	NH2	0.7°	0.0°
NE	CD	H5	H6	120.7°	120.0°
NE	CD	CG	H7	72.6°	60.0°
NE	CD	CG	H8	47.6°	60.0°
NE	CZ	NH1	NH2	179.5°	180.0°
NE	CZ	NH1	H1	179.5°	179.9°
NE	CZ	NH2	H2	179.5°	180.0°
NE	CZ	NH2	H3	0.5°	0.1°
CZ	NE	CD	H5	32.2°	60.0°
CZ	NE	CD	H6	152.7°	60.0°
NH1	CZ	NH2	H2	0.0°	0.1°
NH1	CZ	NH2	H3	180.0°	179.9°
NH1	CZ	NE	H4	0.1°	0.0°
NH2	CZ	NH1	H1	0.0°	0.0°
CZ	NH2	H2	H3	180.0°	179.9°
NH2	CZ	NE	H4	179.4°	180.0°
H4	NE	CD	H5	147.7°	120.0°
H4	NE	CD	H6	27.3°	120.0°
H5	CD	CG	H7	167.6°	180.0°
H5	CD	CG	H8	72.2°	60.1°
H6	CD	CG	H7	47.1°	60.0°
H6	CD	CG	H8	167.4°	180.0°
H7	CG	CB	H9	147.2°	NaN°
H7	CG	CB	H10	94.4°	60.0°
H8	CG	CB	H9	26.9°	60.1°
H8	CG	CB	H10	145.4°	179.9°
H9	CB	CA	H11	52.1°	65.0°
H10	CB	CA	H11	66.4°	175.0°
H11	CA	N	H12	148.8°	91.4°
H12	N	C9	H22	58.7°	51.7°
H12	N	C9	H23	61.2°	68.4°
H12	N	C9	H24	178.8°	171.6°
H15	C7	H16	H17	120.0°	119.9°
H19	C17	H20	H21	120.0°	120.0°
H22	C9	H23	H24	120.0°	120.0°
H26	C19	H27	H28	120.0°	120.1°

Release date:	2015-09-23
Definition date:	2015-09-08
Last modified:	2015-09-18
Release status:	REL
Processing site:	RCSB
Derived from:	5DM4