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Summary Geometry Related PDB entries

2IY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	N1	sing	1.40Å	1.37Å	Aromatic
N	C1	sing	1.35Å	1.39Å	Aromatic
N1	C2	doub	1.31Å	1.34Å	Aromatic
S	C1	sing	1.76Å	1.75Å
S	C	sing	1.81Å	1.80Å
C1	C3	doub	1.39Å	1.39Å	Aromatic
C2	C3	sing	1.47Å	1.43Å	Aromatic
C2	C5	sing	1.48Å	1.48Å
C3	C4	sing	1.43Å	1.43Å
C10	C5	doub	1.39Å	1.39Å	Aromatic
C10	C9	sing	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.39Å	1.39Å	Aromatic
C9	C8	doub	1.38Å	1.38Å	Aromatic
C4	N2	trip	1.14Å	1.14Å
C6	C7	doub	1.38Å	1.38Å	Aromatic
C8	C7	sing	1.38Å	1.37Å	Aromatic
C8	CL	sing	1.74Å	1.74Å
C9	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
N	H4	sing	0.97Å	1.00Å
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	N	C1	112.6°	109.6°
N	N1	C2	105.3°	109.4°
N1	N	H4	123.7°	125.2°
N	C1	S	123.5°	126.2°
N	C1	C3	104.9°	107.5°
C1	N	H4	123.7°	125.1°
N1	C2	C3	110.7°	107.2°
N1	C2	C5	121.1°	126.4°
C1	S	C	103.6°	100.0°
S	C1	C3	131.6°	126.3°
S	C	H5	109.5°	109.5°
S	C	H6	109.5°	109.5°
S	C	H7	109.5°	109.5°
C1	C3	C2	106.5°	106.2°
C1	C3	C4	122.8°	126.8°
C3	C2	C5	128.1°	126.4°
C2	C3	C4	130.7°	126.9°
C2	C5	C10	121.7°	120.1°
C2	C5	C6	119.6°	120.1°
C3	C4	N2	178.0°	180.0°
C5	C10	C9	120.6°	119.9°
C10	C5	C6	118.7°	119.8°
C5	C10	H8	119.7°	120.0°
C10	C9	C8	119.2°	120.1°
C10	C9	H1	120.4°	119.9°
C9	C10	H8	119.7°	120.1°
C5	C6	C7	121.0°	119.9°
C5	C6	H2	119.5°	120.1°
C9	C8	C7	121.2°	120.2°
C9	C8	CL	119.6°	119.9°
C8	C9	H1	120.4°	119.9°
C6	C7	C8	119.3°	120.1°
C7	C6	H2	119.5°	120.0°
C6	C7	H3	120.4°	119.9°
C7	C8	CL	119.1°	119.9°
C8	C7	H3	120.4°	119.9°
H5	C	H6	109.5°	109.4°
H5	C	H7	109.4°	109.4°
H6	C	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	N	C1	H4	180.0°	179.6°
N1	N	C1	S	177.5°	180.0°
N1	N	C1	C3	0.6°	0.2°
N	N1	C2	C3	0.0°	0.4°
N	N1	C2	C5	179.0°	179.8°
C1	N	N1	C2	0.3°	0.4°
N	C1	S	C3	177.5°	179.8°
N	C1	S	C	123.6°	0.0°
N	C1	C3	C2	0.5°	0.0°
N	C1	C3	C4	179.5°	180.0°
N1	C2	C3	C1	0.4°	0.3°
N1	C2	C3	C5	178.9°	179.8°
N1	C2	C3	C4	179.6°	179.7°
N1	C2	C5	C10	12.9°	144.4°
N1	C2	C5	C6	168.7°	35.2°
C2	N1	N	H4	179.6°	180.0°
S	C1	C3	C2	177.3°	179.7°
S	C1	C3	C4	2.7°	0.3°
S	C1	N	H4	2.5°	0.4°
C1	S	C	H5	180.0°	180.0°
C1	S	C	H6	60.0°	60.0°
C1	S	C	H7	60.0°	60.0°
C	S	C1	C3	54.0°	179.7°
S	C	H5	H6	120.0°	120.0°
S	C	H5	H7	120.0°	120.0°
S	C	H6	H7	120.0°	120.0°
C1	C3	C2	C4	180.0°	180.0°
C1	C3	C2	C5	178.5°	180.0°
C1	C3	C4	N2	11.0°	142.1°
C3	C1	N	H4	179.4°	179.8°
C3	C2	C5	C10	166.0°	35.3°
C3	C2	C5	C6	12.4°	145.0°
C2	C3	C4	N2	169.0°	37.9°
C5	C2	C3	C4	1.5°	0.0°
C2	C5	C10	C6	178.4°	179.6°
C2	C5	C10	C9	178.6°	179.7°
C2	C5	C6	C7	178.4°	180.0°
C2	C5	C6	H2	1.6°	0.1°
C2	C5	C10	H8	1.4°	0.4°
C5	C10	C9	H8	180.0°	180.0°
C5	C10	C9	C8	0.0°	0.0°
C10	C5	C6	C7	0.0°	0.3°
C5	C10	C9	H1	180.0°	179.7°
C10	C5	C6	H2	180.0°	179.8°
C9	C10	C5	C6	0.2°	0.0°
C10	C9	C8	H1	180.0°	179.7°
C10	C9	C8	C7	0.5°	0.2°
C10	C9	C8	CL	177.3°	179.7°
C5	C6	C7	H2	180.0°	179.9°
C5	C6	C7	C8	0.5°	0.6°
C5	C6	C7	H3	179.5°	179.9°
C6	C5	C10	H8	179.8°	180.0°
C9	C8	C7	C6	0.8°	0.5°
C9	C8	C7	CL	177.8°	179.9°
C9	C8	C7	H3	179.2°	180.0°
C8	C9	C10	H8	180.0°	180.0°
C6	C7	C8	H3	180.0°	179.5°
C6	C7	C8	CL	177.0°	179.4°
C7	C8	C9	H1	179.5°	179.9°
C8	C7	C6	H2	179.5°	179.5°
CL	C8	C9	H1	2.7°	0.0°
CL	C8	C7	H3	2.9°	0.1°
H1	C9	C10	H8	0.0°	0.3°
H2	C6	C7	H3	0.5°	0.0°
H5	C	H6	H7	120.0°	119.9°

222415

PDB entries from 2024-07-10

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