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Summary Geometry PCM/PTM Related PDB entries

TN7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.53Å
C1	O3	sing	1.43Å	1.44Å
O3	P	sing	1.61Å	1.53Å
P	O2	doub	1.48Å	1.47Å
P	N	sing	1.68Å	1.80Å
P	OXT	sing	1.61Å	1.64Å
N	C3	sing	1.47Å	1.44Å
C3	C4	sing	1.53Å	1.52Å
C2	H21C	sing	1.09Å	1.10Å
C2	H22C	sing	1.09Å	1.10Å
C2	H23C	sing	1.09Å	1.10Å
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
N	HN1	sing	1.01Å	1.00Å
OXT	HXT	sing	0.97Å	0.95Å
C3	H31C	sing	1.09Å	1.10Å
C3	H32C	sing	1.09Å	1.10Å
C4	H41C	sing	1.09Å	1.10Å
C4	H42C	sing	1.09Å	1.10Å
C4	H43C	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O3	109.5°	109.4°
C1	C2	H21C	109.5°	109.4°
C1	C2	H22C	109.4°	109.5°
C1	C2	H23C	109.4°	109.5°
C2	C1	H11C	109.4°	109.4°
C2	C1	H12C	109.4°	109.5°
C1	O3	P	120.0°	123.0°
O3	C1	H11C	109.5°	109.5°
O3	C1	H12C	109.5°	109.5°
O3	P	O2	116.5°	109.4°
O3	P	N	106.7°	109.5°
O3	P	OXT	103.0°	109.5°
O2	P	N	116.4°	109.5°
O2	P	OXT	109.6°	109.5°
N	P	OXT	103.0°	109.5°
P	N	C3	109.6°	111.0°
P	N	HN1	109.4°	111.0°
P	OXT	HXT	109.5°	114.0°
N	C3	C4	111.0°	109.5°
C3	N	HN1	109.5°	111.1°
N	C3	H31C	109.0°	109.5°
N	C3	H32C	108.6°	109.5°
C4	C3	H31C	108.9°	109.4°
C4	C3	H32C	108.6°	109.4°
C3	C4	H41C	109.5°	109.5°
C3	C4	H42C	109.5°	109.5°
C3	C4	H43C	109.5°	109.4°
H21C	C2	H22C	109.5°	109.4°
H21C	C2	H23C	109.5°	109.5°
H22C	C2	H23C	109.5°	109.5°
H11C	C1	H12C	109.5°	109.5°
H31C	C3	H32C	110.7°	109.5°
H41C	C4	H42C	109.4°	109.5°
H41C	C4	H43C	109.4°	109.4°
H42C	C4	H43C	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O3	H11C	120.0°	120.0°
C2	C1	O3	H12C	120.0°	120.0°
C2	C1	O3	P	92.3°	180.0°
C1	C2	H21C	H22C	120.0°	120.0°
C1	C2	H21C	H23C	120.0°	120.0°
C1	C2	H22C	H23C	120.0°	120.1°
C2	C1	H11C	H12C	120.0°	120.0°
C1	O3	P	O2	27.9°	50.0°
C1	O3	P	N	104.0°	70.0°
C1	O3	P	OXT	147.8°	170.0°
O3	C1	C2	H21C	139.5°	180.0°
O3	C1	C2	H22C	19.4°	60.0°
O3	C1	C2	H23C	100.5°	60.0°
O3	C1	H11C	H12C	120.0°	120.1°
O3	P	O2	N	127.3°	120.0°
O3	P	O2	OXT	116.4°	120.0°
O3	P	N	OXT	108.1°	120.0°
O3	P	N	C3	50.8°	60.0°
P	O3	C1	H11C	27.7°	60.0°
P	O3	C1	H12C	147.7°	60.0°
O3	P	N	HN1	170.9°	64.0°
O3	P	OXT	HXT	59.1°	60.0°
O2	P	N	OXT	119.9°	120.0°
O2	P	N	C3	81.1°	180.0°
O2	P	N	HN1	38.9°	56.0°
O2	P	OXT	HXT	176.3°	180.0°
P	N	C3	HN1	120.0°	124.0°
P	N	C3	C4	143.8°	135.0°
N	P	OXT	HXT	51.8°	60.0°
P	N	C3	H31C	96.2°	105.0°
P	N	C3	H32C	24.5°	15.0°
OXT	P	N	C3	159.0°	60.0°
OXT	P	N	HN1	81.0°	176.0°
N	C3	C4	H31C	120.0°	120.0°
N	C3	C4	H32C	119.4°	120.0°
N	C3	H31C	H32C	119.4°	120.1°
N	C3	C4	H41C	96.0°	180.0°
N	C3	C4	H42C	23.9°	60.0°
N	C3	C4	H43C	144.0°	60.0°
C4	C3	N	HN1	23.8°	11.0°
C4	C3	H31C	H32C	119.4°	119.9°
C3	C4	H41C	H42C	120.0°	120.0°
C3	C4	H41C	H43C	120.0°	120.0°
C3	C4	H42C	H43C	120.0°	120.0°
H21C	C2	H22C	H23C	120.0°	120.0°
H21C	C2	C1	H11C	19.4°	60.0°
H21C	C2	C1	H12C	100.5°	60.1°
H22C	C2	C1	H11C	100.6°	60.0°
H22C	C2	C1	H12C	139.5°	180.0°
H23C	C2	C1	H11C	139.5°	180.0°
H23C	C2	C1	H12C	19.5°	59.9°
HN1	N	C3	H31C	143.8°	131.0°
HN1	N	C3	H32C	95.6°	108.9°
H31C	C3	C4	H41C	144.0°	60.0°
H31C	C3	C4	H42C	96.1°	180.0°
H31C	C3	C4	H43C	24.0°	60.0°
H32C	C3	C4	H41C	23.3°	60.0°
H32C	C3	C4	H42C	143.3°	60.0°
H32C	C3	C4	H43C	96.7°	179.9°
H41C	C4	H42C	H43C	120.0°	120.0°

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