1UA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.54Å	1.40Å
C2	C4	sing	1.51Å	1.42Å
C1	C3	sing	1.54Å	1.40Å
C4	N18	sing	1.33Å	1.38Å
C4	C5	doub	1.36Å	1.39Å
C3	C5	sing	1.51Å	1.42Å
N18	C7	doub	1.32Å	1.32Å
C5	C6	sing	1.41Å	1.44Å
C8	C9	sing	1.51Å	1.52Å
C8	S16	sing	1.81Å	1.78Å
C11	C9	sing	1.38Å	1.39Å	Aromatic
C11	C13	doub	1.38Å	1.39Å	Aromatic
C7	S16	sing	1.76Å	1.78Å
C7	N19	sing	1.36Å	1.32Å
C6	N19	sing	1.35Å	1.34Å
C6	O17	doub	1.22Å	1.41Å
C9	C10	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C10	C12	sing	1.38Å	1.39Å	Aromatic
C14	C12	doub	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.51Å	1.51Å
C2	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
N19	H5	sing	0.97Å	1.00Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.08Å	1.08Å
C10	H14	sing	1.08Å	1.08Å
C2	H15	sing	1.09Å	1.10Å
C1	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C4	107.7°	105.1°
C2	C1	C3	108.4°	102.1°
C1	C2	H1	109.9°	110.3°
C2	C1	H4	109.8°	110.9°
C1	C2	H15	109.9°	110.3°
C2	C1	H16	109.8°	110.8°
C2	C4	N18	132.9°	130.3°
C2	C4	C5	108.2°	109.9°
C4	C2	H1	109.9°	110.3°
C4	C2	H15	109.9°	110.3°
C1	C3	C5	107.9°	105.1°
C1	C3	H2	109.9°	110.3°
C1	C3	H3	109.9°	110.4°
C3	C1	H4	109.7°	110.9°
C3	C1	H16	109.8°	110.9°
N18	C4	C5	118.9°	119.8°
C4	N18	C7	120.9°	121.5°
C4	C5	C3	107.9°	110.2°
C4	C5	C6	117.6°	119.1°
C3	C5	C6	134.5°	130.7°
C5	C3	H2	109.9°	110.3°
C5	C3	H3	109.8°	110.4°
N18	C7	S16	119.0°	119.4°
N18	C7	N19	122.5°	121.1°
C5	C6	N19	119.1°	118.8°
C5	C6	O17	121.5°	120.6°
C9	C8	S16	113.8°	109.5°
C8	C9	C11	120.0°	120.0°
C8	C9	C10	120.4°	120.0°
C9	C8	H6	108.4°	109.4°
C9	C8	H7	108.4°	109.4°
C8	S16	C7	108.1°	100.0°
S16	C8	H6	108.4°	109.5°
S16	C8	H7	108.4°	109.5°
C9	C11	C13	120.4°	120.0°
C11	C9	C10	119.6°	120.0°
C9	C11	H8	119.8°	120.0°
C11	C13	C14	120.0°	120.0°
C13	C11	H8	119.8°	120.0°
C11	C13	H9	120.0°	120.0°
S16	C7	N19	118.5°	119.4°
C7	N19	C6	121.1°	119.6°
C7	N19	H5	119.5°	120.1°
N19	C6	O17	119.5°	120.6°
C6	N19	H5	119.5°	120.2°
C9	C10	C12	120.2°	120.0°
C9	C10	H14	119.9°	120.0°
C13	C14	C12	119.8°	120.0°
C13	C14	C15	119.9°	120.1°
C14	C13	H9	120.0°	119.9°
C10	C12	C14	120.1°	120.0°
C10	C12	H13	120.0°	120.0°
C12	C10	H14	119.9°	120.0°
C12	C14	C15	120.3°	120.0°
C14	C12	H13	120.0°	120.0°
C14	C15	H10	109.5°	109.4°
C14	C15	H11	109.5°	109.5°
C14	C15	H12	109.5°	109.4°
H1	C2	H15	109.5°	110.3°
H2	C3	H3	109.5°	110.3°
H4	C1	H16	109.5°	111.0°
H6	C8	H7	109.5°	109.5°
H10	C15	H11	109.4°	109.5°
H10	C15	H12	109.4°	109.5°
H11	C15	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C4	H1	119.7°	118.9°
C1	C2	C4	H15	119.7°	118.9°
C2	C1	C3	H4	119.8°	118.1°
C2	C1	C3	H16	119.9°	118.1°
C1	C2	C4	N18	179.9°	162.9°
C1	C2	C4	C5	0.0°	17.1°
C2	C1	C3	C5	0.0°	25.9°
C1	C2	H1	H15	120.8°	122.2°
C2	C1	C3	H2	119.7°	93.0°
C2	C1	C3	H3	119.8°	144.9°
C2	C1	H4	H16	120.5°	123.6°
C4	C2	C1	C3	0.0°	26.0°
C2	C4	N18	C5	179.9°	179.9°
C2	C4	C5	C3	0.1°	0.1°
C2	C4	N18	C7	179.8°	179.7°
C2	C4	C5	C6	179.9°	180.0°
C4	C2	H1	H15	120.8°	122.1°
C4	C2	C1	H4	119.8°	92.1°
C4	C2	C1	H16	119.8°	144.1°
C1	C3	C5	C4	0.1°	16.9°
C1	C3	C5	H2	119.7°	118.9°
C1	C3	C5	H3	119.8°	119.0°
C1	C3	C5	C6	179.8°	163.0°
C3	C1	C2	H1	119.7°	144.9°
C1	C3	H2	H3	120.8°	122.2°
C3	C1	H4	H16	120.5°	123.7°
C3	C1	C2	H15	119.7°	92.9°
N18	C4	C5	C3	179.9°	179.9°
N18	C4	C5	C6	0.1°	0.0°
C4	N18	C7	S16	179.7°	180.0°
C4	N18	C7	N19	0.1°	0.5°
N18	C4	C2	H1	60.4°	44.0°
N18	C4	C2	H15	60.2°	78.1°
C4	C5	C3	C6	179.8°	179.9°
C5	C4	N18	C7	0.1°	0.2°
C4	C5	C6	N19	0.1°	0.0°
C4	C5	C6	O17	179.8°	179.7°
C5	C4	C2	H1	119.7°	136.0°
C4	C5	C3	H2	119.7°	101.9°
C4	C5	C3	H3	119.8°	135.9°
C5	C4	C2	H15	119.7°	101.8°
C3	C5	C6	N19	179.6°	179.9°
C3	C5	C6	O17	0.5°	0.2°
C5	C3	H2	H3	120.7°	122.2°
C5	C3	C1	H4	119.9°	92.2°
C5	C3	C1	H16	119.8°	144.0°
N18	C7	S16	C8	31.5°	0.5°
N18	C7	S16	N19	179.7°	179.5°
N18	C7	N19	C6	0.3°	0.4°
N18	C7	N19	H5	179.8°	179.5°
C5	C6	N19	C7	0.3°	0.2°
C5	C6	N19	O17	179.9°	179.7°
C6	C5	C3	H2	60.1°	78.2°
C6	C5	C3	H3	60.4°	44.0°
C5	C6	N19	H5	179.7°	179.7°
C9	C8	S16	H6	120.6°	120.0°
C9	C8	S16	H7	120.7°	120.0°
C8	C9	C11	C10	178.9°	179.7°
C8	C9	C11	C13	179.5°	179.9°
C9	C8	S16	C7	169.9°	180.0°
C8	C9	C10	C12	179.5°	179.8°
C9	C8	H6	H7	118.0°	119.9°
C8	C9	C11	H8	0.5°	0.1°
C8	C9	C10	H14	0.5°	0.1°
S16	C8	C9	C11	92.0°	89.7°
C8	S16	C7	N19	148.2°	180.0°
S16	C8	C9	C10	89.1°	89.9°
S16	C8	H6	H7	118.0°	120.0°
C9	C11	C13	H8	180.0°	180.0°
C9	C11	C13	C14	0.3°	0.0°
C11	C9	C10	C12	0.6°	0.5°
C11	C9	C8	H6	28.6°	150.3°
C11	C9	C8	H7	147.3°	30.3°
C9	C11	C13	H9	179.7°	179.9°
C11	C9	C10	H14	179.4°	179.7°
C13	C11	C9	C10	0.6°	0.3°
C11	C13	C14	H9	180.0°	179.9°
C11	C13	C14	C12	0.0°	0.1°
C11	C13	C14	C15	180.0°	179.9°
S16	C7	N19	C6	179.5°	180.0°
S16	C7	N19	H5	0.5°	0.1°
C7	S16	C8	H6	69.5°	60.0°
C7	S16	C8	H7	49.2°	60.0°
C7	N19	C6	H5	180.0°	179.9°
C7	N19	C6	O17	179.7°	179.9°
O17	C6	N19	H5	0.3°	0.0°
C9	C10	C12	H14	180.0°	179.8°
C9	C10	C12	C14	0.2°	0.5°
C10	C9	C8	H6	150.3°	30.1°
C10	C9	C8	H7	31.6°	150.0°
C10	C9	C11	H8	179.4°	179.7°
C9	C10	C12	H13	179.8°	179.7°
C13	C14	C12	C10	0.1°	0.2°
C13	C14	C12	C15	180.0°	180.0°
C14	C13	C11	H8	179.7°	180.0°
C13	C14	C15	H10	90.0°	90.0°
C13	C14	C15	H11	150.0°	150.0°
C13	C14	C15	H12	30.0°	30.0°
C13	C14	C12	H13	179.9°	180.0°
C10	C12	C14	H13	180.0°	179.8°
C10	C12	C14	C15	180.0°	179.8°
C12	C14	C13	H9	180.0°	179.9°
C12	C14	C15	H10	90.0°	90.0°
C12	C14	C15	H11	30.0°	30.0°
C12	C14	C15	H12	150.0°	150.0°
C14	C12	C10	H14	179.7°	179.8°
C15	C14	C13	H9	0.0°	0.1°
C14	C15	H10	H11	120.0°	120.0°
C14	C15	H10	H12	120.0°	119.9°
C14	C15	H11	H12	120.0°	120.0°
C15	C14	C12	H13	0.1°	0.0°
H1	C2	C1	H4	120.5°	26.7°
H1	C2	C1	H16	0.1°	97.0°
H2	C3	C1	H4	0.1°	148.9°
H2	C3	C1	H16	120.4°	25.2°
H3	C3	C1	H4	120.4°	26.8°
H3	C3	C1	H16	0.1°	97.0°
H4	C1	C2	H15	0.1°	148.9°
H8	C11	C13	H9	0.3°	0.1°
H10	C15	H11	H12	120.0°	120.1°
H13	C12	C10	H14	0.2°	0.0°
H15	C2	C1	H16	120.4°	25.2°

Release date:	2014-12-10
Definition date:	2013-06-05
Last modified:	2014-12-05
Release status:	REL
Processing site:	RCSB
Derived from:	4L19