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Summary Geometry Related PDB entries

TQE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	N3	sing	1.46Å	1.46Å
C6	N3	sing	1.47Å	1.47Å
N3	C4	sing	1.37Å	1.35Å
C4	N1	doub	1.33Å	1.34Å
C4	N2	sing	1.34Å	1.35Å
N1	C3	sing	1.33Å	1.35Å
N2	C2	doub	1.32Å	1.32Å
C3	O1	doub	1.22Å	1.24Å
C3	N	sing	1.35Å	1.37Å
C2	N	sing	1.36Å	1.36Å
C2	O	sing	1.35Å	1.33Å
C1	O	sing	1.45Å	1.47Å
C1	C	sing	1.53Å	1.47Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
N	H3	sing	0.97Å	1.00Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	N3	C6	116.5°	120.0°
C5	N3	C4	121.8°	120.0°
N3	C5	H7	109.5°	109.5°
N3	C5	H8	109.5°	109.5°
N3	C5	H9	109.5°	109.4°
C6	N3	C4	121.6°	120.0°
N3	C6	H4	109.5°	109.5°
N3	C6	H5	109.5°	109.5°
N3	C6	H6	109.4°	109.4°
N3	C4	N1	116.7°	119.7°
N3	C4	N2	115.7°	119.7°
N1	C4	N2	127.6°	120.6°
C4	N1	C3	117.8°	120.3°
C4	N2	C2	112.3°	120.3°
N1	C3	O1	122.5°	120.2°
N1	C3	N	117.8°	119.7°
N2	C2	N	124.9°	119.8°
N2	C2	O	122.6°	120.1°
O1	C3	N	119.7°	120.1°
C3	N	C2	119.5°	119.4°
C3	N	H3	120.2°	120.3°
N	C2	O	112.5°	120.1°
C2	N	H3	120.2°	120.4°
C2	O	C1	117.0°	116.9°
O	C1	C	108.9°	109.4°
O	C1	H1	109.6°	109.6°
O	C1	H2	109.6°	109.4°
C	C1	H1	109.6°	109.4°
C	C1	H2	109.6°	109.4°
C1	C	H10	109.5°	109.5°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.4°	109.5°
H1	C1	H2	109.5°	109.5°
H4	C6	H5	109.5°	109.5°
H4	C6	H6	109.5°	109.5°
H5	C6	H6	109.5°	109.5°
H7	C5	H8	109.5°	109.5°
H7	C5	H9	109.5°	109.5°
H8	C5	H9	109.4°	109.4°
H10	C	H11	109.5°	109.5°
H10	C	H12	109.5°	109.4°
H11	C	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	N3	C6	C4	180.0°	180.0°
C5	N3	C4	N1	0.0°	180.0°
C5	N3	C4	N2	179.9°	0.8°
C5	N3	C6	H4	180.0°	90.0°
C5	N3	C6	H5	60.0°	30.0°
C5	N3	C6	H6	60.0°	150.0°
N3	C5	H7	H8	120.0°	120.1°
N3	C5	H7	H9	120.0°	120.0°
N3	C5	H8	H9	120.0°	119.9°
C6	N3	C4	N1	180.0°	0.0°
C6	N3	C4	N2	0.1°	179.2°
N3	C6	H4	H5	120.0°	120.0°
N3	C6	H4	H6	120.0°	120.0°
N3	C6	H5	H6	120.0°	120.0°
C6	N3	C5	H7	180.0°	90.0°
C6	N3	C5	H8	60.0°	30.0°
C6	N3	C5	H9	60.0°	150.0°
N3	C4	N1	N2	179.9°	179.2°
N3	C4	N1	C3	177.6°	180.0°
N3	C4	N2	C2	177.4°	179.8°
C4	N3	C6	H4	0.0°	90.0°
C4	N3	C6	H5	120.0°	150.0°
C4	N3	C6	H6	120.0°	30.0°
C4	N3	C5	H7	0.0°	90.0°
C4	N3	C5	H8	120.0°	149.9°
C4	N3	C5	H9	120.0°	30.0°
N1	C4	N2	C2	2.7°	0.6°
C4	N1	C3	O1	179.3°	179.5°
C4	N1	C3	N	0.7°	0.6°
N2	C4	N1	C3	2.5°	0.9°
C4	N2	C2	N	1.3°	0.1°
C4	N2	C2	O	179.3°	179.7°
N1	C3	O1	N	179.9°	179.9°
N1	C3	N	C2	0.5°	0.1°
N1	C3	N	H3	179.6°	180.0°
N2	C2	N	C3	0.1°	0.1°
N2	C2	N	O	179.4°	179.8°
N2	C2	O	C1	9.9°	0.3°
N2	C2	N	H3	179.9°	179.7°
O1	C3	N	C2	179.5°	180.0°
O1	C3	N	H3	0.5°	0.1°
C3	N	C2	H3	180.0°	179.9°
C3	N	C2	O	179.3°	179.9°
N	C2	O	C1	169.5°	179.9°
C2	O	C1	C	129.3°	180.0°
C2	O	C1	H1	110.8°	60.0°
C2	O	C1	H2	9.4°	60.1°
O	C2	N	H3	0.7°	0.1°
O	C1	C	H1	119.9°	120.1°
O	C1	C	H2	119.9°	119.9°
O	C1	H1	H2	120.3°	120.1°
O	C1	C	H10	180.0°	60.0°
O	C1	C	H11	60.0°	179.9°
O	C1	C	H12	60.0°	59.9°
C	C1	H1	H2	120.3°	119.9°
C1	C	H10	H11	120.0°	120.1°
C1	C	H10	H12	120.0°	120.0°
C1	C	H11	H12	120.0°	120.0°
H1	C1	C	H10	60.1°	60.1°
H1	C1	C	H11	179.9°	60.0°
H1	C1	C	H12	59.9°	180.0°
H2	C1	C	H10	60.1°	179.9°
H2	C1	C	H11	59.9°	60.0°
H2	C1	C	H12	179.9°	60.0°
H4	C6	H5	H6	120.0°	120.0°
H7	C5	H8	H9	120.0°	120.0°
H10	C	H11	H12	120.0°	120.0°

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PDB entries from 2026-02-04

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