13A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O21	S16	doub	1.42Å	1.58Å
S16	O20	doub	1.42Å	1.64Å
S16	N17	sing	1.66Å	1.71Å
S16	N15	sing	1.67Å	1.65Å
N17	C18	sing	1.35Å	1.36Å
N17	H17	sing	0.97Å	1.00Å
C18	O19	doub	1.22Å	1.22Å
C18	C13	sing	1.46Å	1.62Å
C13	N12	sing	1.35Å	1.41Å	Aromatic
C13	C14	doub	1.39Å	1.44Å	Aromatic
N12	C11	doub	1.30Å	1.44Å	Aromatic
C11	N10	sing	1.37Å	1.44Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
N15	C14	sing	1.38Å	1.48Å
N15	H15	sing	0.97Å	1.00Å
C14	N10	sing	1.35Å	1.37Å	Aromatic
N10	C5	sing	1.47Å	1.51Å
C5	O1	sing	1.44Å	1.45Å
C5	C4	sing	1.55Å	1.57Å
C5	H5	sing	1.09Å	1.10Å
O1	C2	sing	1.44Å	1.49Å
C4	O7	sing	1.43Å	1.43Å
C4	C3	sing	1.55Å	1.57Å
C4	H4	sing	1.09Å	1.10Å
O7	HO7	sing	0.97Å	0.95Å
C3	O6	sing	1.43Å	1.34Å
C3	C2	sing	1.54Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C2	C8	sing	1.53Å	1.59Å
C2	H2	sing	1.09Å	1.10Å
C8	O9	sing	1.43Å	1.43Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
O9	HO9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O21	S16	O20	98.6°	125.5°
O21	S16	N17	107.9°	105.8°
O21	S16	N15	108.4°	105.8°
O20	S16	N17	116.1°	105.8°
O20	S16	N15	111.1°	105.9°
N17	S16	N15	113.3°	106.8°
S16	N17	C18	123.5°	120.8°
S16	N17	H17	118.2°	119.5°
S16	N15	C14	119.5°	116.2°
S16	N15	H15	106.3°	121.9°
C18	N17	H17	118.3°	119.6°
N17	C18	O19	122.0°	120.1°
N17	C18	C13	117.4°	119.8°
O19	C18	C13	120.6°	120.1°
C18	C13	N12	121.5°	129.4°
C18	C13	C14	124.7°	123.6°
N12	C13	C14	113.9°	106.9°
C13	N12	C11	94.8°	109.1°
C13	C14	N15	121.6°	122.0°
C13	C14	N10	111.6°	107.0°
N12	C11	N10	121.6°	109.6°
N12	C11	H11	119.2°	125.2°
N10	C11	H11	119.2°	125.2°
C11	N10	C14	98.1°	107.4°
C11	N10	C5	144.0°	126.3°
C14	N15	H15	106.3°	121.8°
N15	C14	N10	126.8°	131.0°
C14	N10	C5	117.9°	126.3°
N10	C5	O1	112.9°	110.6°
N10	C5	C4	117.5°	110.7°
N10	C5	H5	100.2°	110.5°
O1	C5	C4	107.3°	103.5°
O1	C5	H5	111.9°	110.6°
C5	O1	C2	110.6°	107.0°
C4	C5	H5	106.7°	110.7°
C5	C4	O7	110.2°	110.9°
C5	C4	C3	102.9°	102.1°
C5	C4	H4	114.6°	110.9°
O1	C2	C3	102.9°	107.5°
O1	C2	C8	102.6°	109.9°
O1	C2	H2	138.2°	109.9°
O7	C4	C3	113.2°	110.8°
O7	C4	H4	104.5°	110.8°
C4	O7	HO7	109.5°	106.8°
C3	C4	H4	111.6°	111.0°
C4	C3	O6	111.3°	110.5°
C4	C3	C2	105.4°	104.0°
C4	C3	H3	111.4°	110.5°
O6	C3	C2	110.9°	110.8°
O6	C3	H3	106.0°	110.4°
C3	O6	HO6	109.5°	106.8°
C2	C3	H3	111.8°	110.5°
C3	C2	C8	141.0°	109.9°
C3	C2	H2	89.9°	109.8°
C8	C2	H2	90.2°	109.8°
C2	C8	O9	157.8°	109.5°
C2	C8	H81	88.5°	109.4°
C2	C8	H82	95.6°	109.5°
O9	C8	H81	88.4°	109.4°
O9	C8	H82	95.6°	109.5°
C8	O9	HO9	109.5°	106.8°
H81	C8	H82	157.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O21	S16	O20	N17	114.9°	123.4°
O21	S16	O20	N15	113.7°	123.5°
O21	S16	N17	N15	120.1°	112.4°
O21	S16	N17	C18	118.7°	85.0°
O21	S16	N17	H17	61.3°	95.0°
O21	S16	N15	C14	118.7°	75.8°
O21	S16	N15	H15	121.3°	104.3°
O20	S16	N17	N15	130.4°	112.5°
O20	S16	N17	C18	131.8°	140.0°
O20	S16	N17	H17	48.2°	40.0°
O20	S16	N15	C14	133.9°	149.1°
O20	S16	N15	H15	13.9°	30.8°
S16	N17	C18	H17	180.0°	180.0°
S16	N17	C18	O19	179.3°	174.8°
S16	N17	C18	C13	0.8°	5.3°
N17	S16	N15	C14	1.1°	36.6°
N17	S16	N15	H15	119.0°	143.3°
N15	S16	N17	C18	1.4°	27.4°
N15	S16	N17	H17	178.6°	152.6°
S16	N15	C14	C13	0.3°	25.0°
S16	N15	C14	H15	120.0°	179.9°
S16	N15	C14	N10	179.4°	153.9°
N17	C18	O19	C13	179.9°	180.0°
N17	C18	C13	N12	179.8°	168.1°
N17	C18	C13	C14	0.1°	12.5°
H17	N17	C18	O19	0.7°	5.3°
H17	N17	C18	C13	179.2°	174.7°
O19	C18	C13	N12	0.1°	11.9°
O19	C18	C13	C14	179.8°	167.5°
C18	C13	N12	C14	179.8°	179.5°
C18	C13	N12	C11	179.8°	179.4°
C18	C13	C14	N15	0.3°	1.4°
C18	C13	C14	N10	179.9°	179.4°
C13	N12	C11	N10	0.2°	0.1°
C13	N12	C11	H11	179.8°	180.0°
N12	C13	C14	N15	179.9°	179.1°
N12	C13	C14	N10	0.2°	0.1°
C14	C13	N12	C11	0.0°	0.1°
C13	C14	N10	C11	0.2°	0.0°
C13	C14	N15	N10	179.7°	179.0°
C13	C14	N15	H15	119.7°	154.8°
C13	C14	N10	C5	179.4°	179.7°
N12	C11	N10	H11	180.0°	180.0°
N12	C11	N10	C14	0.3°	0.0°
N12	C11	N10	C5	179.1°	179.8°
C11	N10	C14	N15	180.0°	179.0°
C11	N10	C14	C5	179.2°	179.8°
C11	N10	C5	O1	99.6°	23.5°
C11	N10	C5	C4	26.2°	90.6°
C11	N10	C5	H5	141.2°	146.4°
H11	C11	N10	C14	179.7°	180.0°
H11	C11	N10	C5	0.9°	0.3°
N15	C14	N10	C5	0.8°	1.2°
H15	N15	C14	N10	60.6°	26.2°
C14	N10	C5	O1	79.1°	156.7°
C14	N10	C5	C4	155.2°	89.1°
C14	N10	C5	H5	40.2°	33.9°
N10	C5	O1	C4	131.1°	118.6°
N10	C5	O1	H5	112.2°	122.8°
N10	C5	C4	H5	111.4°	122.9°
N10	C5	O1	C2	118.4°	158.7°
N10	C5	C4	O7	102.2°	86.2°
N10	C5	C4	C3	136.8°	155.7°
N10	C5	C4	H4	15.4°	37.4°
O1	C5	C4	H5	120.1°	118.5°
O1	C5	C4	O7	129.4°	155.3°
O1	C5	C4	C3	8.3°	37.1°
O1	C5	C4	H4	113.1°	81.2°
C5	O1	C2	C3	28.7°	26.4°
C5	O1	C2	C8	121.7°	146.0°
C5	O1	C2	H2	133.4°	93.0°
C4	C5	O1	C2	12.7°	40.1°
C5	C4	O7	C3	114.7°	112.7°
C5	C4	O7	H4	123.6°	123.7°
C5	C4	C3	H4	123.4°	118.3°
C5	C4	O7	HO7	127.5°	180.0°
C5	C4	C3	O6	95.0°	97.9°
C5	C4	C3	C2	25.4°	21.0°
C5	C4	C3	H3	146.9°	139.6°
H5	C5	O1	C2	129.4°	78.5°
H5	C5	C4	O7	9.2°	36.7°
H5	C5	C4	C3	111.8°	81.4°
H5	C5	C4	H4	126.8°	160.3°
O1	C2	C3	C4	32.9°	1.9°
O1	C2	C3	O6	87.8°	120.6°
O1	C2	C3	C8	129.9°	119.5°
O1	C2	C3	H2	139.8°	119.5°
O1	C2	C3	H3	154.1°	116.7°
O1	C2	C8	H2	139.9°	121.0°
O1	C2	C8	O9	123.0°	66.7°
O1	C2	C8	H81	154.9°	53.3°
O1	C2	C8	H82	3.0°	173.3°
O7	C4	C3	H4	117.6°	123.5°
O7	C4	C3	O6	24.0°	20.3°
O7	C4	C3	C2	144.4°	139.2°
O7	C4	C3	H3	94.1°	102.3°
C3	C4	O7	HO7	12.8°	67.3°
C4	C3	O6	C2	117.1°	114.7°
C4	C3	O6	H3	121.3°	122.6°
C4	C3	C2	H3	121.2°	118.6°
C4	C3	O6	HO6	84.7°	180.0°
C4	C3	C2	C8	97.0°	121.5°
C4	C3	C2	H2	172.7°	117.6°
H4	C4	O7	HO7	108.9°	56.3°
H4	C4	C3	O6	141.7°	143.8°
H4	C4	C3	C2	97.9°	97.3°
H4	C4	C3	H3	23.6°	21.3°
O6	C3	C2	H3	118.1°	122.7°
O6	C3	C2	C8	142.3°	119.8°
O6	C3	C2	H2	52.0°	1.1°
C2	C3	O6	HO6	158.3°	65.3°
C3	C2	C8	H2	90.2°	120.9°
C3	C2	C8	O9	7.0°	175.3°
C3	C2	C8	H81	75.1°	64.7°
C3	C2	C8	H82	126.9°	55.2°
H3	C3	O6	HO6	36.7°	57.4°
H3	C3	C2	C8	24.2°	2.9°
H3	C3	C2	H2	66.1°	123.8°
C2	C8	O9	H81	82.1°	120.0°
C2	C8	O9	H82	120.0°	120.1°
C2	C8	H81	H82	101.0°	120.0°
C2	C8	O9	HO9	94.3°	180.0°
H2	C2	C8	O9	97.1°	54.3°
H2	C2	C8	H81	15.0°	174.3°
H2	C2	C8	H82	142.9°	65.7°
O9	C8	H81	H82	101.0°	120.0°
H81	C8	O9	HO9	176.4°	60.0°
H82	C8	O9	HO9	25.7°	60.0°

Definition date:	2005-10-10
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2B1G