U32

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	S16	doub	1.42Å	1.56Å
O2	S16	doub	1.42Å	1.57Å
C2	C3	doub	1.35Å	1.34Å	Aromatic
C2	N9	sing	1.32Å	1.27Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	sing	1.51Å	1.53Å
C3	S7	sing	1.79Å	1.69Å	Aromatic
C4	C5	sing	1.53Å	1.52Å
C4	C6	sing	1.53Å	1.52Å
C4	H4	sing	1.09Å	1.11Å
C5	H5C1	sing	1.09Å	1.11Å
C5	H5C2	sing	1.09Å	1.12Å
C5	H5C3	sing	1.09Å	1.12Å
C6	H6C1	sing	1.09Å	1.11Å
C6	H6C2	sing	1.09Å	1.12Å
C6	H6C3	sing	1.09Å	1.11Å
S7	C8	sing	1.74Å	1.79Å	Aromatic
C8	N9	doub	1.32Å	1.44Å	Aromatic
C8	N90	sing	1.39Å	1.48Å
N11	S16	sing	1.65Å	1.58Å
N11	H111	sing	0.97Å	1.02Å
N11	H112	sing	0.97Å	1.02Å
C13	C14	doub	1.38Å	1.40Å	Aromatic
C13	C19	sing	1.38Å	1.41Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C16	sing	1.38Å	1.39Å	Aromatic
C14	S16	sing	1.76Å	1.62Å
N90	C18	sing	1.40Å	1.38Å
N90	H90	sing	0.97Å	1.02Å
C16	C17	doub	1.38Å	1.40Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C17	C18	sing	1.39Å	1.41Å	Aromatic
C17	H17	sing	1.08Å	1.10Å
C18	C19	doub	1.39Å	1.40Å	Aromatic
C19	H19	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	S16	O2	107.5°	125.3°
O1	S16	N11	111.6°	105.8°
O1	S16	C14	109.6°	105.7°
O2	S16	N11	112.1°	105.8°
O2	S16	C14	105.7°	105.8°
C3	C2	N9	116.8°	118.5°
C3	C2	H2	121.6°	120.7°
C2	C3	C4	119.7°	129.7°
C2	C3	S7	115.0°	100.7°
N9	C2	H2	121.6°	120.7°
C2	N9	C8	110.9°	121.1°
C4	C3	S7	125.1°	129.6°
C3	C4	C5	109.4°	109.5°
C3	C4	C6	117.8°	109.5°
C3	C4	H4	106.1°	109.4°
C3	S7	C8	87.2°	97.5°
C5	C4	C6	110.5°	109.5°
C5	C4	H4	106.1°	109.5°
C4	C5	H5C1	109.4°	109.5°
C4	C5	H5C2	112.2°	109.5°
C4	C5	H5C3	112.2°	109.4°
C6	C4	H4	106.1°	109.5°
C4	C6	H6C1	117.8°	109.5°
C4	C6	H6C2	109.2°	109.5°
C4	C6	H6C3	109.2°	109.5°
H5C1	C5	H5C2	112.2°	109.5°
H5C1	C5	H5C3	112.2°	109.5°
H5C2	C5	H5C3	98.2°	109.4°
H6C1	C6	H6C2	109.2°	109.5°
H6C1	C6	H6C3	109.2°	109.4°
H6C2	C6	H6C3	100.9°	109.5°
S7	C8	N9	110.0°	102.2°
S7	C8	N90	128.3°	129.0°
N9	C8	N90	121.0°	128.9°
C8	N90	C18	131.5°	120.0°
C8	N90	H90	114.2°	120.0°
S16	N11	H111	111.6°	120.0°
S16	N11	H112	112.1°	120.0°
N11	S16	C14	110.2°	107.4°
H111	N11	H112	107.5°	120.0°
C14	C13	C19	121.8°	120.1°
C14	C13	H13	119.1°	119.9°
C13	C14	C16	118.3°	120.1°
C13	C14	S16	121.4°	120.0°
C19	C13	H13	119.1°	120.0°
C13	C19	C18	120.2°	119.9°
C13	C19	H19	119.9°	120.0°
C16	C14	S16	120.3°	119.9°
C14	C16	C17	119.9°	120.1°
C14	C16	H16	120.0°	119.9°
C18	N90	H90	114.3°	120.0°
N90	C18	C17	116.7°	120.0°
N90	C18	C19	125.9°	120.1°
C17	C16	H16	120.0°	120.0°
C16	C17	C18	122.2°	119.9°
C16	C17	H17	118.9°	120.0°
C18	C17	H17	118.9°	120.0°
C17	C18	C19	117.4°	119.9°
C18	C19	H19	119.9°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	S16	O2	N11	123.0°	123.2°
O1	S16	O2	C14	116.9°	123.1°
O1	S16	N11	C14	122.0°	112.6°
O1	S16	N11	H111	180.0°	67.4°
O1	S16	N11	H112	59.4°	112.5°
O1	S16	C14	C13	139.6°	22.5°
O1	S16	C14	C16	39.4°	157.4°
O2	S16	N11	C14	117.4°	112.6°
O2	S16	N11	H111	59.4°	67.4°
O2	S16	N11	H112	180.0°	112.7°
O2	S16	C14	C13	104.9°	157.3°
O2	S16	C14	C16	76.1°	22.6°
C3	C2	N9	H2	180.0°	179.4°
C2	C3	C4	S7	175.4°	179.7°
C2	C3	C4	C5	135.3°	119.7°
C2	C3	C4	C6	97.3°	120.3°
C2	C3	C4	H4	21.3°	0.3°
C2	C3	S7	C8	0.7°	0.3°
C3	C2	N9	C8	3.5°	0.6°
N9	C2	C3	C4	177.4°	179.8°
N9	C2	C3	S7	1.6°	0.5°
C2	N9	C8	S7	3.8°	0.3°
C2	N9	C8	N90	174.8°	179.7°
H2	C2	C3	C4	2.6°	0.4°
H2	C2	C3	S7	178.4°	179.9°
H2	C2	N9	C8	176.5°	180.0°
C3	C4	C5	C6	131.4°	120.0°
C3	C4	C5	H4	114.1°	119.9°
C3	C4	C6	H4	118.6°	120.0°
C3	C4	C5	H5C1	180.0°	180.0°
C3	C4	C5	H5C2	54.7°	59.9°
C3	C4	C5	H5C3	54.7°	60.0°
C3	C4	C6	H6C1	180.0°	60.0°
C3	C4	C6	H6C2	54.7°	60.0°
C3	C4	C6	H6C3	54.7°	180.0°
C4	C3	S7	C8	174.9°	180.0°
S7	C3	C4	C5	40.1°	60.0°
S7	C3	C4	C6	87.3°	60.0°
S7	C3	C4	H4	154.1°	179.9°
C3	S7	C8	N9	2.4°	0.0°
C3	S7	C8	N90	172.6°	180.0°
C5	C4	C6	H4	114.6°	120.0°
C4	C5	H5C1	H5C2	125.2°	120.0°
C4	C5	H5C1	H5C3	125.3°	120.0°
C4	C5	H5C2	H5C3	118.1°	120.0°
C5	C4	C6	H6C1	53.2°	60.0°
C5	C4	C6	H6C2	178.4°	180.0°
C5	C4	C6	H6C3	72.1°	60.0°
C6	C4	C5	H5C1	48.7°	60.0°
C6	C4	C5	H5C2	76.6°	180.0°
C6	C4	C5	H5C3	173.9°	60.0°
C4	C6	H6C1	H6C2	125.2°	120.0°
C4	C6	H6C1	H6C3	125.3°	120.0°
C4	C6	H6C2	H6C3	114.9°	120.0°
H4	C4	C5	H5C1	65.9°	60.0°
H4	C4	C5	H5C2	168.8°	60.0°
H4	C4	C5	H5C3	59.4°	180.0°
H4	C4	C6	H6C1	61.4°	180.0°
H4	C4	C6	H6C2	63.9°	60.0°
H4	C4	C6	H6C3	173.3°	60.0°
H5C1	C5	H5C2	H5C3	118.2°	120.0°
H6C1	C6	H6C2	H6C3	115.0°	120.0°
S7	C8	N9	N90	171.0°	180.0°
S7	C8	N90	C18	16.0°	174.0°
S7	C8	N90	H90	164.0°	5.9°
N9	C8	N90	C18	153.1°	6.1°
N9	C8	N90	H90	26.8°	174.1°
C8	N90	C18	H90	180.0°	179.9°
C8	N90	C18	C17	178.8°	153.4°
C8	N90	C18	C19	1.5°	26.9°
S16	N11	H111	H112	123.3°	180.0°
N11	S16	C14	C13	16.3°	90.1°
N11	S16	C14	C16	162.7°	90.1°
H111	N11	S16	C14	58.0°	180.0°
H112	N11	S16	C14	62.6°	0.0°
C14	C13	C19	H13	180.0°	179.9°
C13	C14	C16	S16	179.0°	179.9°
C13	C14	C16	C17	2.0°	0.3°
C13	C14	C16	H16	178.0°	179.9°
C14	C13	C19	C18	0.9°	0.1°
C14	C13	C19	H19	179.1°	180.0°
C19	C13	C14	C16	1.4°	0.1°
C19	C13	C14	S16	179.6°	180.0°
C13	C19	C18	N90	178.6°	180.0°
C13	C19	C18	C17	1.0°	0.3°
C13	C19	C18	H19	180.0°	179.9°
H13	C13	C14	C16	178.6°	180.0°
H13	C13	C14	S16	0.4°	0.1°
H13	C13	C19	C18	179.1°	180.0°
H13	C13	C19	H19	0.9°	0.1°
C14	C16	C17	H16	180.0°	179.7°
C14	C16	C17	C18	2.2°	0.5°
C14	C16	C17	H17	177.8°	179.9°
S16	C14	C16	C17	179.0°	179.8°
S16	C14	C16	H16	1.0°	0.1°
N90	C18	C17	C16	178.0°	179.8°
N90	C18	C17	C19	179.7°	179.7°
N90	C18	C17	H17	2.0°	0.2°
N90	C18	C19	H19	1.4°	0.0°
H90	N90	C18	C17	1.2°	26.8°
H90	N90	C18	C19	178.5°	153.0°
C16	C17	C18	H17	180.0°	179.6°
C16	C17	C18	C19	1.7°	0.5°
H16	C16	C17	C18	177.8°	179.8°
H16	C16	C17	H17	2.2°	0.2°
C17	C18	C19	H19	178.9°	179.8°
H17	C17	C18	C19	178.3°	180.0°

Definition date:	2005-06-06
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2BTS