SLA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C11	sing	1.43Å	1.44Å
O10	C3	doub	1.21Å	1.23Å
C2	C9	sing	1.53Å	1.57Å
C2	C3	sing	1.51Å	1.51Å
C2	C1	sing	1.55Å	1.57Å
C14	C13	sing	1.53Å	1.56Å
C3	N4	sing	1.34Å	1.35Å
C11	C13	sing	1.53Å	1.60Å
C11	C5	sing	1.53Å	1.60Å
C15	C13	sing	1.53Å	1.56Å
N4	C5	sing	1.47Å	1.47Å
C1	C5	sing	1.54Å	1.59Å
C1	O8	sing	1.43Å	1.47Å
C5	C6	sing	1.51Å	1.52Å
C6	O7	doub	1.21Å	1.23Å
C6	H18	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
N4	H3	sing	0.97Å	1.00Å
O8	H4	sing	0.97Å	0.95Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
O12	H9	sing	0.97Å	0.95Å
C13	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C15	H14	sing	1.09Å	1.10Å
C15	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C11	C13	110.3°	109.5°
O12	C11	C5	109.3°	109.5°
O12	C11	H8	108.6°	109.5°
C11	O12	H9	109.5°	114.0°
O10	C3	C2	124.3°	125.0°
O10	C3	N4	125.4°	125.0°
C9	C2	C3	112.5°	110.5°
C9	C2	C1	114.6°	110.5°
C9	C2	H2	109.4°	110.4°
C2	C9	H5	109.5°	109.5°
C2	C9	H6	109.4°	109.5°
C2	C9	H7	109.4°	109.4°
C3	C2	C1	100.5°	104.2°
C2	C3	N4	110.3°	110.1°
C3	C2	H2	110.2°	110.6°
C2	C1	C5	106.6°	101.8°
C2	C1	O8	111.8°	111.0°
C2	C1	H1	109.4°	111.0°
C1	C2	H2	109.4°	110.5°
C14	C13	C11	112.1°	109.4°
C14	C13	C15	107.5°	109.5°
C14	C13	H10	107.9°	109.5°
C13	C14	H11	109.5°	109.5°
C13	C14	H12	109.5°	109.4°
C13	C14	H13	109.4°	109.5°
C3	N4	C5	116.4°	111.3°
C3	N4	H3	121.8°	124.3°
C13	C11	C5	115.0°	109.4°
C11	C13	C15	114.0°	109.4°
C13	C11	H8	106.7°	109.5°
C11	C13	H10	107.4°	109.5°
C11	C5	N4	112.0°	110.2°
C11	C5	C1	112.8°	110.3°
C11	C5	C6	111.7°	110.3°
C5	C11	H8	106.7°	109.4°
C15	C13	H10	107.8°	109.5°
C13	C15	H14	109.5°	109.4°
C13	C15	H15	109.5°	109.4°
C13	C15	H16	109.5°	109.5°
N4	C5	C1	98.7°	105.4°
N4	C5	C6	111.5°	110.2°
C5	N4	H3	121.8°	124.4°
C5	C1	O8	108.9°	111.0°
C1	C5	C6	109.4°	110.2°
C5	C1	H1	109.2°	110.9°
O8	C1	H1	110.8°	110.8°
C1	O8	H4	109.5°	114.0°
C5	C6	O7	119.5°	120.0°
C5	C6	H18	120.2°	120.0°
O7	C6	H18	120.2°	120.0°
H5	C9	H6	109.5°	109.5°
H5	C9	H7	109.5°	109.5°
H6	C9	H7	109.5°	109.5°
H11	C14	H12	109.5°	109.5°
H11	C14	H13	109.5°	109.5°
H12	C14	H13	109.5°	109.5°
H14	C15	H15	109.4°	109.4°
H14	C15	H16	109.5°	109.5°
H15	C15	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C11	C13	C14	55.2°	66.1°
O12	C11	C13	C5	124.2°	120.0°
O12	C11	C13	H8	117.8°	120.1°
O12	C11	C5	H8	117.3°	120.0°
O12	C11	C13	C15	67.2°	53.8°
O12	C11	C5	N4	49.9°	67.4°
O12	C11	C5	C1	60.5°	176.6°
O12	C11	C5	C6	175.8°	54.6°
O12	C11	C13	H10	173.4°	173.9°
O10	C3	C2	C9	41.4°	45.0°
O10	C3	C2	N4	179.6°	180.0°
O10	C3	C2	C1	163.7°	163.7°
O10	C3	N4	C5	179.8°	179.6°
O10	C3	C2	H2	81.0°	77.5°
O10	C3	N4	H3	0.3°	0.4°
C9	C2	C3	C1	122.3°	118.7°
C9	C2	C3	H2	122.4°	122.6°
C9	C2	C1	H2	123.3°	122.5°
C9	C2	C3	N4	139.0°	134.9°
C9	C2	C1	C5	146.9°	143.5°
C9	C2	C1	O8	28.0°	25.4°
C9	C2	C1	H1	95.2°	98.4°
C2	C9	H5	H6	120.0°	120.0°
C2	C9	H5	H7	120.0°	119.9°
C2	C9	H6	H7	120.0°	120.0°
C3	C2	C1	H2	115.9°	118.8°
C2	C3	N4	C5	0.2°	0.4°
C3	C2	C1	C5	26.1°	24.8°
C3	C2	C1	O8	92.8°	93.4°
C3	C2	C1	H1	144.0°	142.9°
C2	C3	N4	H3	179.9°	179.6°
C3	C2	C9	H5	180.0°	61.4°
C3	C2	C9	H6	60.0°	178.5°
C3	C2	C9	H7	60.0°	58.6°
C1	C2	C3	N4	16.7°	16.2°
C2	C1	C5	C11	92.9°	93.6°
C2	C1	C5	N4	25.6°	25.4°
C2	C1	C5	O8	120.7°	118.2°
C2	C1	C5	H1	118.1°	118.2°
C2	C1	O8	H1	122.3°	123.8°
C2	C1	C5	C6	142.2°	144.4°
C2	C1	O8	H4	180.0°	67.6°
C1	C2	C9	H5	66.0°	176.2°
C1	C2	C9	H6	54.0°	63.7°
C1	C2	C9	H7	174.0°	56.2°
C14	C13	C11	C15	122.4°	119.9°
C14	C13	C11	H10	118.3°	120.0°
C14	C13	C11	C5	179.3°	173.9°
C14	C13	C15	H10	116.0°	120.1°
C14	C13	C11	H8	62.6°	53.9°
C13	C14	H11	H12	120.0°	120.0°
C13	C14	H11	H13	120.0°	120.0°
C13	C14	H12	H13	120.0°	120.0°
C14	C13	C15	H14	180.0°	164.8°
C14	C13	C15	H15	60.0°	44.9°
C14	C13	C15	H16	60.0°	75.1°
C3	N4	C5	C11	102.8°	102.0°
C3	N4	C5	H3	180.0°	180.0°
C3	N4	C5	C1	16.2°	17.0°
C3	N4	C5	C6	131.2°	136.0°
N4	C3	C2	H2	98.6°	102.5°
C13	C11	C5	H8	118.1°	120.0°
C11	C13	C15	H10	119.1°	120.0°
C13	C11	C5	N4	74.8°	172.6°
C13	C11	C5	C1	174.9°	56.6°
C13	C11	C5	C6	51.1°	65.4°
C13	C11	O12	H9	180.0°	60.0°
C11	C13	C14	H11	180.0°	55.3°
C11	C13	C14	H12	60.0°	175.3°
C11	C13	C14	H13	60.0°	64.7°
C11	C13	C15	H14	55.1°	75.3°
C11	C13	C15	H15	175.1°	164.8°
C11	C13	C15	H16	64.9°	44.8°
C5	C11	C13	C15	56.9°	66.2°
C11	C5	N4	C1	119.0°	119.0°
C11	C5	N4	C6	126.0°	122.0°
C11	C5	C1	C6	125.0°	122.0°
C11	C5	C1	O8	146.4°	148.3°
C11	C5	C6	O7	126.3°	128.5°
C11	C5	C6	H18	53.7°	51.5°
C11	C5	C1	H1	25.2°	24.6°
C11	C5	N4	H3	77.2°	78.0°
C5	C11	O12	H9	52.6°	60.0°
C5	C11	C13	H10	62.4°	53.9°
C15	C13	C11	H8	175.0°	173.9°
C15	C13	C14	H11	54.0°	64.6°
C15	C13	C14	H12	174.0°	55.4°
C15	C13	C14	H13	66.0°	175.4°
C13	C15	H14	H15	120.0°	119.9°
C13	C15	H14	H16	120.0°	120.1°
C13	C15	H15	H16	120.0°	120.0°
N4	C5	C1	C6	116.6°	119.0°
N4	C5	C1	O8	95.2°	92.8°
N4	C5	C6	O7	0.1°	109.5°
N4	C5	C6	H18	179.9°	70.5°
N4	C5	C1	H1	143.6°	143.6°
N4	C5	C11	H8	167.2°	52.6°
C5	C1	O8	H1	120.2°	123.7°
C1	C5	C6	O7	108.1°	6.5°
C1	C5	C6	H18	71.9°	173.5°
C5	C1	C2	H2	89.8°	94.0°
C1	C5	N4	H3	163.8°	163.0°
C5	C1	O8	H4	62.5°	180.0°
C1	C5	C11	H8	56.8°	63.4°
O8	C1	C5	C6	21.4°	26.2°
O8	C1	C2	H2	151.3°	147.8°
C5	C6	O7	H18	180.0°	180.0°
C6	C5	C1	H1	99.8°	97.4°
C6	C5	N4	H3	48.8°	44.0°
C6	C5	C11	H8	66.9°	174.6°
H1	C1	C2	H2	28.1°	24.1°
H1	C1	O8	H4	57.7°	56.3°
H2	C2	C9	H5	57.2°	61.3°
H2	C2	C9	H6	177.2°	58.8°
H2	C2	C9	H7	62.8°	178.8°
H5	C9	H6	H7	120.0°	120.0°
H8	C11	O12	H9	63.4°	179.9°
H8	C11	C13	H10	55.7°	66.1°
H10	C13	C14	H11	62.1°	175.3°
H10	C13	C14	H12	58.0°	64.7°
H10	C13	C14	H13	178.0°	55.3°
H10	C13	C15	H14	63.9°	44.7°
H10	C13	C15	H15	56.0°	75.2°
H10	C13	C15	H16	176.0°	164.8°
H11	C14	H12	H13	120.0°	120.0°
H14	C15	H15	H16	120.0°	120.0°

Definition date:	2011-06-04
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3DY4