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Summary Geometry Related PDB entries

01U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N25	C26	sing	1.40Å	1.50Å
N25	H25	sing	0.97Å	1.00Å
C26	C31	doub	1.38Å	1.56Å	Aromatic
C26	C27	sing	1.39Å	1.65Å	Aromatic
C31	C30	sing	1.39Å	1.52Å	Aromatic
C31	H31	sing	1.08Å	1.08Å
C30	S34	sing	1.76Å	1.72Å	Aromatic
C30	C29	doub	1.40Å	1.39Å	Aromatic
S34	C33	sing	1.76Å	1.82Å	Aromatic
C33	N35	sing	1.38Å	1.37Å
C33	N32	doub	1.29Å	1.30Å	Aromatic
N35	H351	sing	0.97Å	1.00Å
N35	H352	sing	0.97Å	1.00Å
N32	C29	sing	1.35Å	1.49Å	Aromatic
C29	C28	sing	1.41Å	1.53Å	Aromatic
C28	C27	doub	1.37Å	1.65Å	Aromatic
C28	H28	sing	1.08Å	1.08Å
C27	H27	sing	1.08Å	1.08Å
N25	H2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C26	N25	H25	109.5°	120.0°
N25	C26	C31	105.6°	120.1°
N25	C26	C27	108.2°	120.1°
C26	N25	H2	109.5°	120.1°
H25	N25	H2	109.5°	120.0°
C31	C26	C27	115.4°	119.8°
C26	C31	C30	116.1°	120.1°
C26	C31	H31	122.0°	119.9°
C26	C27	C28	117.4°	120.6°
C26	C27	H27	121.3°	119.7°
C30	C31	H31	121.9°	119.9°
C31	C30	S34	118.9°	131.1°
C31	C30	C29	126.6°	120.4°
S34	C30	C29	114.5°	108.4°
C30	S34	C33	89.6°	90.5°
C30	C29	N32	109.5°	112.8°
C30	C29	C28	124.8°	118.5°
S34	C33	N35	120.9°	124.8°
S34	C33	N32	112.1°	110.4°
N35	C33	N32	127.0°	124.8°
C33	N35	H351	109.5°	120.0°
C33	N35	H352	109.5°	120.0°
C33	N32	C29	114.3°	117.9°
H351	N35	H352	109.4°	119.9°
N32	C29	C28	125.7°	128.7°
C29	C28	C27	112.9°	120.5°
C29	C28	H28	123.6°	119.7°
C27	C28	H28	123.5°	119.7°
C28	C27	H27	121.3°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C26	N25	H25	H2	120.0°	179.7°
N25	C26	C31	C27	119.5°	179.7°
N25	C26	C31	C30	98.1°	180.0°
N25	C26	C31	H31	81.9°	0.0°
N25	C26	C27	C28	86.9°	179.7°
N25	C26	C27	H27	93.1°	0.0°
H25	N25	C26	C31	180.0°	0.0°
H25	N25	C26	C27	55.8°	179.8°
C26	C31	C30	H31	180.0°	180.0°
C26	C31	C30	S34	172.9°	180.0°
C26	C31	C30	C29	5.7°	0.0°
C31	C26	C27	C28	31.1°	0.6°
C31	C26	C27	H27	148.9°	179.7°
C31	C26	N25	H2	60.0°	179.7°
C27	C26	C31	C30	21.4°	0.3°
C27	C26	C31	H31	158.6°	179.7°
C26	C27	C28	C29	23.9°	0.6°
C26	C27	C28	H27	180.0°	179.7°
C26	C27	C28	H28	156.1°	179.8°
C27	C26	N25	H2	175.9°	0.6°
C31	C30	S34	C29	178.8°	180.0°
C31	C30	S34	C33	178.8°	180.0°
C31	C30	C29	N32	179.0°	180.0°
C31	C30	C29	C28	1.4°	0.0°
H31	C31	C30	S34	7.0°	0.0°
H31	C31	C30	C29	174.3°	180.0°
C30	S34	C33	N35	179.4°	180.0°
C30	S34	C33	N32	0.4°	0.0°
S34	C30	C29	N32	0.4°	0.0°
S34	C30	C29	C28	179.9°	180.0°
C29	C30	S34	C33	0.0°	0.0°
C30	C29	N32	C33	0.7°	0.0°
C30	C29	N32	C28	179.5°	180.0°
C30	C29	C28	C27	8.0°	0.3°
C30	C29	C28	H28	172.0°	180.0°
S34	C33	N35	N32	179.7°	180.0°
S34	C33	N35	H351	0.0°	0.0°
S34	C33	N35	H352	120.0°	180.0°
S34	C33	N32	C29	0.7°	0.0°
C33	N35	H351	H352	120.0°	179.9°
N35	C33	N32	C29	179.1°	180.0°
N32	C33	N35	H351	179.7°	180.0°
N32	C33	N35	H352	60.3°	0.1°
C33	N32	C29	C28	179.8°	180.0°
N32	C29	C28	C27	171.4°	179.7°
N32	C29	C28	H28	8.6°	0.1°
C29	C28	C27	H28	180.0°	179.7°
C29	C28	C27	H27	156.1°	179.7°
H28	C28	C27	H27	23.9°	0.0°

221716

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