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Summary Geometry Related PDB entries

CYQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.49Å
N	H	sing	1.01Å	1.02Å
N	H2	sing	1.01Å	1.02Å
CA	CB	sing	1.53Å	1.47Å
CA	C	sing	1.51Å	1.55Å
CA	HA	sing	1.09Å	1.12Å
CB	SG	sing	1.81Å	1.81Å
CB	HB2	sing	1.09Å	1.12Å
CB	HB3	sing	1.09Å	1.12Å
SG	CD	sing	1.81Å	1.80Å
CD	P	sing	1.82Å	1.82Å
CD	HD2	sing	1.09Å	1.12Å
CD	HD3	sing	1.09Å	1.11Å
C	O	doub	1.21Å	1.23Å
C	OXT	sing	1.34Å	1.30Å
OXT	HXT	sing	0.97Å	0.95Å
P	O1P	doub	1.48Å	1.45Å
P	O2P	sing	1.61Å	1.45Å
P	O3P	sing	1.61Å	1.45Å
O2P	HOP2	sing	0.97Å	0.95Å
O3P	HOP3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H	111.7°	106.7°
CA	N	H2	111.3°	106.7°
N	CA	CB	111.8°	109.5°
N	CA	C	103.5°	109.5°
N	CA	HA	113.0°	109.5°
H	N	H2	111.4°	106.8°
CB	CA	C	112.3°	109.5°
CB	CA	HA	104.2°	109.5°
CA	CB	SG	109.9°	109.5°
CA	CB	HB2	112.1°	109.5°
CA	CB	HB3	112.1°	109.5°
C	CA	HA	112.4°	109.4°
CA	C	O	120.7°	120.0°
CA	C	OXT	116.2°	120.0°
SG	CB	HB2	112.0°	109.4°
SG	CB	HB3	112.0°	109.5°
CB	SG	CD	97.2°	100.1°
HB2	CB	HB3	98.4°	109.4°
SG	CD	P	109.4°	109.5°
SG	CD	HD2	112.2°	109.5°
SG	CD	HD3	112.2°	109.4°
P	CD	HD2	112.2°	109.5°
P	CD	HD3	112.2°	109.5°
CD	P	O1P	113.0°	109.5°
CD	P	O2P	113.1°	109.4°
CD	P	O3P	113.0°	109.5°
HD2	CD	HD3	98.2°	109.5°
O	C	OXT	122.7°	120.0°
C	OXT	HXT	116.2°	120.0°
O1P	P	O2P	109.5°	109.5°
O1P	P	O3P	109.4°	109.5°
O2P	P	O3P	97.9°	109.5°
P	O2P	HOP2	113.1°	106.8°
P	O3P	HOP3	113.0°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H	H2	125.2°	113.8°
N	CA	CB	C	115.8°	120.0°
N	CA	CB	HA	122.3°	120.0°
N	CA	C	HA	122.2°	120.0°
N	CA	CB	SG	175.5°	60.0°
N	CA	CB	HB2	59.3°	60.0°
N	CA	CB	HB3	50.2°	180.0°
N	CA	C	O	26.3°	30.0°
N	CA	C	OXT	146.9°	150.0°
H	N	CA	CB	180.0°	53.8°
H	N	CA	C	58.9°	173.9°
H	N	CA	HA	62.9°	66.2°
H2	N	CA	CB	54.7°	60.0°
H2	N	CA	C	175.8°	60.0°
H2	N	CA	HA	62.4°	180.0°
CB	CA	C	HA	117.1°	120.0°
CA	CB	SG	HB2	125.3°	120.0°
CA	CB	SG	HB3	125.3°	120.0°
CA	CB	HB2	HB3	118.0°	120.0°
CA	CB	SG	CD	79.2°	180.0°
CB	CA	C	O	94.4°	90.0°
CB	CA	C	OXT	92.4°	90.0°
C	CA	CB	SG	59.6°	180.0°
C	CA	CB	HB2	175.1°	60.0°
C	CA	CB	HB3	65.6°	59.9°
CA	C	O	OXT	172.7°	179.9°
CA	C	OXT	HXT	180.0°	179.9°
HA	CA	CB	SG	62.2°	60.0°
HA	CA	CB	HB2	63.0°	180.0°
HA	CA	CB	HB3	172.5°	60.0°
HA	CA	C	O	148.5°	150.0°
HA	CA	C	OXT	24.7°	30.0°
SG	CB	HB2	HB3	117.9°	120.0°
CB	SG	CD	P	128.2°	180.0°
CB	SG	CD	HD2	106.6°	60.0°
CB	SG	CD	HD3	2.9°	60.0°
HB2	CB	SG	CD	46.1°	60.0°
HB3	CB	SG	CD	155.5°	60.0°
SG	CD	P	HD2	125.2°	120.0°
SG	CD	P	HD3	125.3°	120.0°
SG	CD	HD2	HD3	118.2°	120.0°
SG	CD	P	O1P	179.6°	60.0°
SG	CD	P	O2P	55.4°	180.0°
SG	CD	P	O3P	54.7°	60.0°
P	CD	HD2	HD3	118.1°	120.0°
CD	P	O1P	O2P	127.0°	120.0°
CD	P	O1P	O3P	126.9°	120.0°
CD	P	O2P	O3P	119.2°	120.0°
CD	P	O2P	HOP2	180.0°	180.0°
CD	P	O3P	HOP3	180.0°	60.0°
HD2	CD	P	O1P	55.2°	60.0°
HD2	CD	P	O2P	69.9°	60.0°
HD2	CD	P	O3P	179.9°	180.0°
HD3	CD	P	O1P	54.3°	180.0°
HD3	CD	P	O2P	179.4°	60.1°
HD3	CD	P	O3P	70.6°	60.0°
O	C	OXT	HXT	7.0°	0.0°
O1P	P	O2P	O3P	113.9°	120.0°
O1P	P	O2P	HOP2	53.0°	60.0°
O1P	P	O3P	HOP3	53.1°	180.0°
O2P	P	O3P	HOP3	60.8°	60.0°
O3P	P	O2P	HOP2	60.8°	60.0°

223532

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