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Summary Geometry Related PDB entries

CDT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NT	CT	sing	1.35Å	1.35Å
NT	HT1	sing	0.97Å	1.02Å
NT	HT2	sing	0.97Å	1.02Å
CT	OT	doub	1.22Å	1.23Å
CT	N	sing	1.35Å	1.36Å
N	CA	sing	1.46Å	1.48Å
N	HN1	sing	0.97Å	1.02Å
CA	CB	sing	1.53Å	1.54Å
CA	C	sing	1.51Å	1.52Å
CA	HA	sing	1.09Å	1.11Å
CB	CG	sing	1.53Å	1.55Å
CB	HB1	sing	1.09Å	1.12Å
CB	HB2	sing	1.09Å	1.11Å
CG	SD	sing	1.81Å	1.83Å
CG	HG1	sing	1.09Å	1.12Å
CG	HG2	sing	1.09Å	1.12Å
SD	CE	sing	1.81Å	1.82Å
CE	HE1	sing	1.09Å	1.11Å
CE	HE2	sing	1.09Å	1.11Å
CE	HE3	sing	1.09Å	1.12Å
C	O	doub	1.21Å	1.21Å
C	OXT	sing	1.34Å	1.33Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CT	NT	HT1	119.6°	120.0°
CT	NT	HT2	108.5°	119.9°
NT	CT	OT	119.7°	119.9°
NT	CT	N	119.3°	120.1°
HT1	NT	HT2	108.6°	120.0°
OT	CT	N	121.0°	120.0°
CT	N	CA	122.9°	120.0°
CT	N	HN1	114.3°	120.0°
CA	N	HN1	122.9°	120.0°
N	CA	CB	108.5°	109.5°
N	CA	C	110.0°	109.5°
N	CA	HA	110.1°	109.4°
CB	CA	C	110.3°	109.5°
CB	CA	HA	109.7°	109.4°
CA	CB	CG	112.7°	109.5°
CA	CB	HB1	111.1°	109.4°
CA	CB	HB2	111.1°	109.5°
C	CA	HA	108.2°	109.5°
CA	C	O	120.8°	120.0°
CA	C	OXT	119.1°	120.0°
CG	CB	HB1	111.0°	109.5°
CG	CB	HB2	111.0°	109.5°
CB	CG	SD	111.8°	109.5°
CB	CG	HG1	111.3°	109.4°
CB	CG	HG2	111.3°	109.5°
HB1	CB	HB2	99.3°	109.4°
SD	CG	HG1	111.4°	109.4°
SD	CG	HG2	111.4°	109.4°
CG	SD	CE	101.2°	100.0°
HG1	CG	HG2	99.0°	109.5°
SD	CE	HE1	101.2°	109.5°
SD	CE	HE2	115.4°	109.5°
SD	CE	HE3	115.4°	109.5°
HE1	CE	HE2	115.5°	109.5°
HE1	CE	HE3	115.4°	109.5°
HE2	CE	HE3	95.0°	109.4°
O	C	OXT	120.1°	120.0°
C	OXT	HXT	119.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CT	NT	HT1	HT2	125.2°	180.0°
NT	CT	OT	N	179.3°	180.0°
NT	CT	N	CA	174.7°	180.0°
NT	CT	N	HN1	5.3°	0.1°
HT1	NT	CT	OT	180.0°	0.0°
HT1	NT	CT	N	0.7°	180.0°
HT2	NT	CT	OT	54.7°	180.0°
HT2	NT	CT	N	126.0°	0.0°
OT	CT	N	CA	6.0°	0.1°
OT	CT	N	HN1	173.9°	180.0°
CT	N	CA	HN1	180.0°	179.9°
CT	N	CA	CB	157.1°	149.9°
CT	N	CA	C	82.2°	90.0°
CT	N	CA	HA	37.0°	30.0°
N	CA	CB	C	120.5°	120.0°
N	CA	CB	HA	120.4°	120.0°
N	CA	C	HA	120.3°	120.0°
N	CA	CB	CG	176.3°	60.0°
N	CA	CB	HB1	58.4°	60.0°
N	CA	CB	HB2	51.1°	179.9°
N	CA	C	O	40.7°	150.0°
N	CA	C	OXT	139.5°	30.0°
HN1	N	CA	CB	22.9°	30.0°
HN1	N	CA	C	97.8°	90.1°
HN1	N	CA	HA	143.0°	149.9°
CB	CA	C	HA	120.1°	120.0°
CA	CB	CG	HB1	125.3°	120.0°
CA	CB	CG	HB2	125.3°	120.1°
CA	CB	HB1	HB2	117.0°	120.0°
CA	CB	CG	SD	62.7°	180.0°
CA	CB	CG	HG1	62.6°	60.1°
CA	CB	CG	HG2	172.1°	60.0°
CB	CA	C	O	78.9°	90.0°
CB	CA	C	OXT	100.9°	90.0°
C	CA	CB	CG	63.2°	180.0°
C	CA	CB	HB1	62.1°	60.0°
C	CA	CB	HB2	171.6°	59.9°
CA	C	O	OXT	179.8°	180.0°
CA	C	OXT	HXT	179.9°	179.9°
HA	CA	CB	CG	56.0°	60.0°
HA	CA	CB	HB1	178.8°	180.0°
HA	CA	CB	HB2	69.3°	60.1°
HA	CA	C	O	161.1°	30.0°
HA	CA	C	OXT	19.1°	150.0°
CG	CB	HB1	HB2	116.9°	120.0°
CB	CG	SD	HG1	125.2°	120.0°
CB	CG	SD	HG2	125.3°	120.0°
CB	CG	HG1	HG2	117.2°	120.0°
CB	CG	SD	CE	54.9°	180.0°
HB1	CB	CG	SD	172.1°	60.0°
HB1	CB	CG	HG1	62.6°	180.0°
HB1	CB	CG	HG2	46.8°	60.0°
HB2	CB	CG	SD	62.6°	59.9°
HB2	CB	CG	HG1	172.1°	60.1°
HB2	CB	CG	HG2	62.7°	179.9°
SD	CG	HG1	HG2	117.3°	120.0°
CG	SD	CE	HE1	180.0°	180.0°
CG	SD	CE	HE2	54.7°	60.0°
CG	SD	CE	HE3	54.7°	59.9°
HG1	CG	SD	CE	179.9°	60.0°
HG2	CG	SD	CE	70.4°	60.0°
SD	CE	HE1	HE2	125.3°	120.0°
SD	CE	HE1	HE3	125.2°	120.0°
SD	CE	HE2	HE3	121.2°	120.0°
HE1	CE	HE2	HE3	121.2°	120.0°
O	C	OXT	HXT	0.1°	0.1°

218853

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