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Summary Geometry Related PDB entries

203

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	C18	doub	1.22Å	1.23Å
C18	N17	sing	1.35Å	1.34Å
C18	C13	sing	1.41Å	1.53Å
N17	S16	sing	1.66Å	1.72Å
N17	H17	sing	0.97Å	1.00Å
C13	C14	doub	1.39Å	1.38Å	Aromatic
C13	N12	sing	1.38Å	1.40Å	Aromatic
C14	N15	sing	1.40Å	1.38Å
C14	N10	sing	1.33Å	1.34Å	Aromatic
N15	S16	sing	1.67Å	1.62Å
N15	H15	sing	0.97Å	1.00Å
S16	O20	doub	1.42Å	1.56Å
S16	O21	doub	1.42Å	1.63Å
N10	C11	doub	1.31Å	1.35Å	Aromatic
C11	N12	sing	1.35Å	1.41Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
N12	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	C18	N17	124.0°	119.7°
O19	C18	C13	118.5°	119.8°
N17	C18	C13	117.6°	120.5°
C18	N17	S16	123.9°	120.7°
C18	N17	H17	118.0°	119.6°
C18	C13	C14	123.3°	124.6°
C18	C13	N12	121.8°	129.6°
S16	N17	H17	118.0°	119.7°
N17	S16	N15	109.6°	106.4°
N17	S16	O20	116.1°	105.9°
N17	S16	O21	109.1°	105.9°
C14	C13	N12	114.9°	105.8°
C13	C14	N15	126.0°	121.8°
C13	C14	N10	109.2°	107.9°
C13	N12	C11	93.6°	107.0°
C13	N12	H12	133.2°	126.5°
N15	C14	N10	124.8°	130.3°
C14	N15	S16	119.6°	115.5°
C14	N15	H15	106.2°	122.2°
C14	N10	C11	100.8°	109.5°
S16	N15	H15	106.2°	122.3°
N15	S16	O20	113.9°	105.9°
N15	S16	O21	108.7°	106.0°
O20	S16	O21	98.6°	125.5°
N10	C11	N12	121.6°	109.8°
N10	C11	H11	119.2°	125.1°
N12	C11	H11	119.2°	125.1°
C11	N12	H12	133.2°	126.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C18	N17	C13	180.0°	179.7°
O19	C18	N17	S16	180.0°	172.6°
O19	C18	N17	H17	0.0°	7.4°
O19	C18	C13	C14	180.0°	170.1°
O19	C18	C13	N12	0.1°	9.9°
C18	N17	S16	H17	180.0°	180.0°
N17	C18	C13	C14	0.0°	9.7°
N17	C18	C13	N12	180.0°	170.4°
C18	N17	S16	N15	0.1°	28.5°
C18	N17	S16	O20	130.7°	83.9°
C18	N17	S16	O21	119.0°	141.0°
C13	C18	N17	S16	0.1°	7.7°
C13	C18	N17	H17	179.9°	172.3°
C18	C13	C14	N12	179.9°	180.0°
C18	C13	C14	N15	0.0°	0.4°
C18	C13	C14	N10	180.0°	179.8°
C18	C13	N12	C11	180.0°	179.9°
C18	C13	N12	H12	0.0°	0.3°
N17	S16	N15	C14	0.0°	36.1°
N17	S16	N15	O20	132.0°	112.4°
N17	S16	N15	O21	119.2°	112.4°
N17	S16	N15	H15	120.0°	143.9°
N17	S16	O20	O21	116.3°	123.6°
H17	N17	S16	N15	179.9°	151.6°
H17	N17	S16	O20	49.3°	96.1°
H17	N17	S16	O21	61.0°	39.1°
C13	C14	N15	N10	179.9°	179.7°
C13	C14	N15	S16	0.0°	25.2°
C13	C14	N15	H15	120.0°	154.8°
C13	C14	N10	C11	0.0°	0.2°
C14	C13	N12	C11	0.1°	0.1°
C14	C13	N12	H12	179.9°	179.7°
N12	C13	C14	N15	180.0°	179.6°
N12	C13	C14	N10	0.1°	0.2°
C13	N12	C11	N10	0.1°	0.1°
C13	N12	C11	H12	180.0°	179.8°
C13	N12	C11	H11	179.9°	179.9°
C14	N15	S16	H15	120.0°	180.0°
C14	N15	S16	O20	131.9°	76.3°
C14	N15	S16	O21	119.3°	148.5°
N15	C14	N10	C11	180.0°	179.6°
N10	C14	N15	S16	180.0°	155.0°
N10	C14	N15	H15	60.0°	25.0°
C14	N10	C11	N12	0.0°	0.1°
C14	N10	C11	H11	180.0°	180.0°
N15	S16	O20	O21	114.9°	123.7°
H15	N15	S16	O20	108.1°	103.7°
H15	N15	S16	O21	0.7°	31.5°
N10	C11	N12	H11	180.0°	180.0°
N10	C11	N12	H12	179.9°	179.8°
H11	C11	N12	H12	0.1°	0.3°

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