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Summary Geometry Related PDB entries

I3L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	doub	1.31Å	1.33Å
C1	C2	sing	1.51Å	1.52Å
C2	S	sing	1.81Å	1.81Å
S	C3	sing	1.81Å	1.83Å
C3	C4	sing	1.53Å	1.53Å
O1	C5	doub	1.21Å	1.29Å
C4	C5	sing	1.51Å	1.52Å
C4	N	sing	1.47Å	1.47Å
C5	O	sing	1.34Å	1.21Å
C1	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
N	H7	sing	1.01Å	1.00Å
N	H8	sing	1.01Å	1.00Å
C	H10	sing	1.08Å	1.08Å
C	H11	sing	1.08Å	1.08Å
O	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	C2	121.1°	120.0°
C	C1	H1	119.4°	120.0°
C1	C	H10	120.0°	120.0°
C1	C	H11	120.0°	120.0°
C1	C2	S	113.3°	109.5°
C2	C1	H1	119.4°	120.0°
C1	C2	H5	108.5°	109.5°
C1	C2	H6	108.5°	109.4°
C2	S	C3	103.7°	103.0°
S	C2	H5	108.5°	109.5°
S	C2	H6	108.5°	109.5°
S	C3	C4	117.0°	109.5°
S	C3	H3	107.5°	109.5°
S	C3	H4	107.5°	109.4°
C3	C4	C5	110.8°	109.4°
C3	C4	N	112.0°	109.5°
C3	C4	H2	108.8°	109.5°
C4	C3	H3	107.6°	109.5°
C4	C3	H4	107.5°	109.5°
O1	C5	C4	113.1°	120.0°
O1	C5	O	124.2°	120.0°
C5	C4	N	106.4°	109.4°
C4	C5	O	122.6°	119.9°
C5	C4	H2	109.1°	109.5°
N	C4	H2	109.7°	109.5°
C4	N	H7	109.5°	111.0°
C4	N	H8	109.5°	111.0°
C5	O	H12	109.5°	116.9°
H3	C3	H4	109.5°	109.5°
H5	C2	H6	109.4°	109.5°
H7	N	H8	109.5°	111.0°
H10	C	H11	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	C2	H1	180.0°	179.7°
C	C1	C2	S	22.8°	115.2°
C	C1	C2	H5	97.8°	124.8°
C	C1	C2	H6	143.4°	4.7°
C1	C	H10	H11	180.0°	179.9°
C1	C2	S	H5	120.6°	120.0°
C1	C2	S	H6	120.6°	119.9°
C1	C2	S	C3	167.2°	180.0°
C1	C2	H5	H6	118.3°	120.0°
C2	C1	C	H10	180.0°	0.1°
C2	C1	C	H11	0.0°	180.0°
C2	S	C3	C4	118.7°	180.0°
S	C2	C1	H1	157.2°	65.0°
C2	S	C3	H3	120.2°	60.0°
C2	S	C3	H4	2.4°	60.0°
S	C2	H5	H6	118.2°	120.0°
S	C3	C4	H3	121.1°	120.0°
S	C3	C4	H4	121.1°	119.9°
S	C3	C4	C5	179.9°	180.0°
S	C3	C4	N	61.5°	60.1°
S	C3	C4	H2	59.9°	60.0°
S	C3	H3	H4	116.5°	119.9°
C3	S	C2	H5	46.6°	60.0°
C3	S	C2	H6	72.2°	60.0°
C3	C4	C5	O1	74.5°	100.0°
C3	C4	C5	N	122.0°	120.0°
C3	C4	C5	H2	119.8°	120.0°
C3	C4	N	H2	120.9°	120.0°
C3	C4	C5	O	108.7°	80.0°
C4	C3	H3	H4	116.6°	120.1°
C3	C4	N	H7	180.0°	176.0°
C3	C4	N	H8	60.0°	59.9°
O1	C5	C4	O	176.8°	180.0°
O1	C5	C4	N	163.5°	20.0°
O1	C5	C4	H2	45.3°	140.0°
O1	C5	O	H12	0.0°	0.0°
C5	C4	N	H2	117.9°	120.0°
C5	C4	C3	H3	58.8°	60.0°
C5	C4	C3	H4	59.1°	60.1°
C5	C4	N	H7	58.8°	64.0°
C5	C4	N	H8	61.2°	60.0°
C4	C5	O	H12	176.4°	180.0°
N	C4	C5	O	13.2°	160.0°
N	C4	C3	H3	177.4°	59.9°
N	C4	C3	H4	59.6°	180.0°
C4	N	H7	H8	120.0°	124.0°
O	C5	C4	H2	131.5°	40.0°
H1	C1	C2	H5	82.2°	55.0°
H1	C1	C2	H6	36.6°	175.0°
H1	C1	C	H10	0.0°	179.7°
H1	C1	C	H11	180.0°	0.2°
H2	C4	C3	H3	61.2°	180.0°
H2	C4	C3	H4	179.0°	60.0°
H2	C4	N	H7	59.0°	56.0°
H2	C4	N	H8	179.1°	180.0°

222415

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