56I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	S15	doub	1.42Å	1.51Å
S15	O18	doub	1.42Å	1.46Å
S15	O1	sing	1.52Å	1.47Å
S15	N10	sing	1.66Å	1.61Å
C5	C7	sing	1.53Å	1.54Å
C5	C4	sing	1.53Å	1.55Å
O13	C7	sing	1.43Å	1.39Å
C7	C1	sing	1.53Å	1.53Å
N10	C4	sing	1.47Å	1.48Å
C4	C3	sing	1.53Å	1.53Å
C1	C2	sing	1.53Å	1.50Å
C1	O12	sing	1.43Å	1.43Å
O9	C8	sing	1.43Å	1.41Å
C3	C2	sing	1.53Å	1.49Å
C3	C8	sing	1.53Å	1.52Å
C2	O11	sing	1.43Å	1.44Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
N10	H7	sing	0.97Å	1.00Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
O9	H10	sing	0.97Å	0.95Å
O11	H11	sing	0.97Å	0.95Å
O12	H12	sing	0.97Å	0.95Å
C7	H13	sing	1.09Å	1.10Å
O13	H14	sing	0.97Å	0.95Å
O1	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	S15	O18	108.9°	123.1°
O19	S15	O1	110.7°	106.4°
O19	S15	N10	111.2°	106.4°
O18	S15	O1	109.0°	106.4°
O18	S15	N10	111.6°	106.4°
O1	S15	N10	105.4°	107.2°
S15	O1	H15	109.5°	114.0°
S15	N10	C4	113.3°	120.0°
S15	N10	H7	108.5°	120.1°
C7	C5	C4	116.2°	109.5°
C5	C7	O13	112.8°	109.5°
C5	C7	C1	112.2°	109.5°
C7	C5	H5	107.7°	109.5°
C7	C5	H6	107.7°	109.4°
C5	C7	H13	107.7°	109.5°
C5	C4	N10	110.7°	109.5°
C5	C4	C3	115.5°	109.5°
C5	C4	H4	107.6°	109.4°
C4	C5	H5	107.8°	109.5°
C4	C5	H6	107.8°	109.5°
O13	C7	C1	106.6°	109.5°
O13	C7	H13	109.6°	109.5°
C7	O13	H14	109.5°	114.0°
C7	C1	C2	109.3°	109.5°
C7	C1	O12	109.1°	109.5°
C7	C1	H1	108.7°	109.5°
C1	C7	H13	107.8°	109.5°
N10	C4	C3	106.5°	109.5°
N10	C4	H4	108.5°	109.5°
C4	N10	H7	108.5°	119.9°
C4	C3	C2	111.1°	109.5°
C4	C3	C8	111.7°	109.5°
C4	C3	H3	106.6°	109.5°
C3	C4	H4	107.9°	109.5°
C2	C1	O12	110.6°	109.5°
C1	C2	C3	110.3°	109.5°
C1	C2	O11	109.3°	109.4°
C2	C1	H1	109.0°	109.5°
C1	C2	H2	109.2°	109.5°
O12	C1	H1	110.0°	109.5°
C1	O12	H12	109.5°	114.0°
O9	C8	C3	113.0°	109.5°
O9	C8	H8	108.6°	109.5°
O9	C8	H9	108.6°	109.5°
C8	O9	H10	109.5°	114.0°
C2	C3	C8	113.3°	109.4°
C3	C2	O11	108.9°	109.5°
C3	C2	H2	109.2°	109.5°
C2	C3	H3	107.0°	109.5°
C8	C3	H3	106.7°	109.5°
C3	C8	H8	108.6°	109.5°
C3	C8	H9	108.6°	109.4°
O11	C2	H2	109.9°	109.4°
C2	O11	H11	109.5°	114.1°
H5	C5	H6	109.5°	109.5°
H8	C8	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	S15	O18	O1	120.9°	123.0°
O19	S15	O18	N10	123.2°	122.9°
O19	S15	O1	N10	120.3°	113.6°
O19	S15	N10	C4	78.7°	48.6°
O19	S15	N10	H7	160.7°	131.4°
O19	S15	O1	H15	119.8°	66.5°
O18	S15	O1	N10	120.0°	113.5°
O18	S15	N10	C4	43.1°	178.6°
O18	S15	N10	H7	77.4°	1.4°
O18	S15	O1	H15	0.0°	66.4°
O1	S15	N10	C4	161.3°	65.0°
O1	S15	N10	H7	40.8°	115.0°
S15	N10	C4	C5	94.8°	95.0°
S15	N10	C4	H7	120.5°	180.0°
S15	N10	C4	C3	139.0°	145.0°
S15	N10	C4	H4	23.1°	25.0°
N10	S15	O1	H15	119.9°	180.0°
C7	C5	C4	H5	121.0°	120.1°
C7	C5	C4	H6	121.0°	120.0°
C5	C7	O13	C1	123.5°	120.0°
C5	C7	O13	H13	120.0°	120.0°
C5	C7	C1	H13	118.5°	120.0°
C7	C5	C4	N10	80.3°	180.0°
C7	C5	C4	C3	40.8°	60.0°
C5	C7	C1	C2	34.0°	60.0°
C5	C7	C1	O12	155.1°	180.0°
C5	C7	C1	H1	84.9°	60.0°
C7	C5	C4	H4	161.3°	60.0°
C7	C5	H5	H6	116.9°	120.0°
C5	C7	O13	H14	180.0°	180.0°
C4	C5	C7	O13	100.6°	180.0°
C4	C5	C7	C1	19.7°	60.0°
C5	C4	N10	C3	126.2°	120.0°
C5	C4	N10	H4	117.9°	120.0°
C5	C4	C3	H4	120.4°	119.9°
C5	C4	C3	C2	4.4°	60.0°
C5	C4	C3	C8	123.1°	179.9°
C5	C4	C3	H3	120.6°	60.0°
C4	C5	H5	H6	117.0°	120.0°
C5	C4	N10	H7	144.7°	85.0°
C4	C5	C7	H13	138.2°	60.0°
O13	C7	C1	H13	117.7°	120.0°
O13	C7	C1	C2	157.8°	180.0°
O13	C7	C1	O12	81.1°	60.0°
O13	C7	C1	H1	38.9°	60.0°
O13	C7	C5	H5	138.4°	60.0°
O13	C7	C5	H6	20.4°	60.0°
C7	C1	C2	O12	120.1°	120.0°
C7	C1	C2	H1	118.7°	120.0°
C7	C1	O12	H1	119.2°	120.0°
C7	C1	C2	C3	73.3°	60.0°
C7	C1	C2	O11	167.0°	180.0°
C7	C1	C2	H2	46.7°	60.0°
C1	C7	C5	H5	101.3°	60.0°
C1	C7	C5	H6	140.7°	180.0°
C7	C1	O12	H12	180.0°	60.0°
C1	C7	O13	H14	56.5°	60.0°
N10	C4	C3	H4	116.3°	120.1°
N10	C4	C3	C2	118.9°	180.0°
N10	C4	C3	C8	113.6°	60.1°
N10	C4	C3	H3	2.7°	60.0°
N10	C4	C5	H5	158.7°	60.0°
N10	C4	C5	H6	40.7°	60.0°
C4	C3	C2	C1	51.1°	60.0°
C4	C3	C8	O9	67.4°	175.0°
C4	C3	C2	C8	126.7°	120.0°
C4	C3	C2	H3	116.0°	120.0°
C4	C3	C8	H3	116.2°	120.1°
C4	C3	C2	O11	171.1°	180.0°
C4	C3	C2	H2	68.9°	60.0°
C3	C4	C5	H5	80.2°	60.0°
C3	C4	C5	H6	161.7°	180.0°
C3	C4	N10	H7	18.4°	35.0°
C4	C3	C8	H8	172.1°	64.9°
C4	C3	C8	H9	53.1°	55.0°
C2	C1	O12	H1	120.6°	120.0°
C1	C2	C3	O11	120.0°	120.0°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	C8	177.8°	180.0°
C1	C2	O11	H2	119.8°	120.0°
C1	C2	C3	H3	64.9°	60.0°
C1	C2	O11	H11	180.0°	59.9°
C2	C1	O12	H12	59.7°	180.0°
C2	C1	C7	H13	84.5°	60.0°
O12	C1	C2	C3	166.6°	180.0°
O12	C1	C2	O11	46.8°	60.0°
O12	C1	C2	H2	73.4°	60.0°
O12	C1	C7	H13	36.6°	60.0°
O9	C8	C3	C2	58.9°	65.0°
O9	C8	C3	H8	120.5°	120.1°
O9	C8	C3	H9	120.5°	120.0°
O9	C8	C3	H3	176.4°	54.9°
O9	C8	H8	H9	118.4°	120.0°
C2	C3	C8	H3	117.5°	120.0°
C3	C2	O11	H2	119.6°	120.0°
C3	C2	C1	H1	45.4°	59.9°
C2	C3	C4	H4	124.8°	59.9°
C2	C3	C8	H8	61.6°	55.0°
C2	C3	C8	H9	179.5°	175.0°
C3	C2	O11	H11	59.4°	180.0°
C8	C3	C2	O11	62.3°	60.0°
C8	C3	C2	H2	57.8°	60.0°
C8	C3	C4	H4	2.8°	60.0°
C3	C8	H8	H9	118.4°	119.9°
C3	C8	O9	H10	180.0°	180.0°
O11	C2	C1	H1	74.3°	60.1°
O11	C2	C3	H3	55.1°	60.0°
H1	C1	C2	H2	165.4°	180.0°
H1	C1	O12	H12	60.9°	60.0°
H1	C1	C7	H13	156.6°	180.0°
H2	C2	C3	H3	175.1°	180.0°
H2	C2	O11	H11	60.2°	60.0°
H3	C3	C4	H4	119.0°	179.9°
H3	C3	C8	H8	55.9°	175.0°
H3	C3	C8	H9	63.1°	65.0°
H4	C4	C5	H5	40.3°	180.0°
H4	C4	C5	H6	77.8°	60.0°
H4	C4	N10	H7	97.5°	155.1°
H5	C5	C7	H13	17.2°	180.0°
H6	C5	C7	H13	100.8°	60.0°
H8	C8	O9	H10	59.5°	60.0°
H9	C8	O9	H10	59.5°	60.0°
H13	C7	O13	H14	59.9°	60.1°

Release date:	2022-07-13
Definition date:	2021-07-07
Last modified:	2022-07-08
Release status:	REL
Processing site:	PDBE
Derived from:	7P32