LP0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N19	C17	sing	1.38Å	1.42Å
C17	N18	doub	1.30Å	1.36Å	Aromatic
C17	S16	sing	1.76Å	1.72Å	Aromatic
N18	C14	sing	1.33Å	1.39Å	Aromatic
S16	C15	sing	1.76Å	1.72Å	Aromatic
O4	C3	doub	1.22Å	1.23Å
C14	C15	doub	1.35Å	1.41Å	Aromatic
C14	C5	sing	1.48Å	1.47Å
C3	C5	sing	1.48Å	1.46Å
C3	N2	sing	1.35Å	1.33Å
C5	N6	doub	1.30Å	1.27Å
C1	N2	sing	1.47Å	1.45Å
C1	B1	sing	1.57Å	1.61Å
B1	O21	sing	1.42Å	1.52Å
B1	O20	sing	1.42Å	1.44Å
N6	O7	sing	1.42Å	1.27Å
O20	P1	sing	1.61Å	1.60Å
O7	C8	sing	1.43Å	1.43Å
O3	P1	doub	1.48Å	1.51Å
P1	O5	sing	1.61Å	1.51Å
P1	O2	sing	1.61Å	1.51Å
O12	C11	doub	1.21Å	1.25Å
C8	C9	sing	1.53Å	1.53Å
C8	C11	sing	1.51Å	1.51Å
C8	C10	sing	1.53Å	1.53Å
C11	O13	sing	1.34Å	1.25Å
O5	H1	sing	0.97Å	0.95Å
O2	H2	sing	0.97Å	0.95Å
O21	H3	sing	0.97Å	0.95Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
N2	H6	sing	0.97Å	1.00Å
O13	H7	sing	0.97Å	0.95Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
N19	H14	sing	0.97Å	1.00Å
N19	H15	sing	0.97Å	1.00Å
C15	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N19	C17	N18	124.0°	125.2°
N19	C17	S16	120.9°	125.3°
C17	N19	H14	109.5°	120.0°
C17	N19	H15	109.5°	120.0°
N18	C17	S16	115.1°	109.5°
C17	N18	C14	110.3°	116.9°
C17	S16	C15	89.9°	90.2°
N18	C14	C15	113.9°	115.2°
N18	C14	C5	123.9°	122.4°
S16	C15	C14	110.8°	108.3°
S16	C15	H16	124.6°	125.9°
O4	C3	C5	116.6°	120.0°
O4	C3	N2	125.9°	120.0°
C15	C14	C5	122.2°	122.4°
C14	C15	H16	124.6°	125.8°
C14	C5	C3	118.0°	120.0°
C14	C5	N6	122.8°	120.0°
C5	C3	N2	117.5°	120.0°
C3	C5	N6	119.2°	120.0°
C3	N2	C1	122.7°	120.0°
C3	N2	H6	118.6°	120.0°
C5	N6	O7	120.6°	120.0°
N2	C1	B1	111.0°	109.5°
N2	C1	H4	109.1°	109.5°
N2	C1	H5	109.1°	109.5°
C1	N2	H6	118.6°	120.0°
C1	B1	O21	110.4°	120.0°
C1	B1	O20	111.1°	120.0°
B1	C1	H4	109.1°	109.5°
B1	C1	H5	109.1°	109.5°
O21	B1	O20	115.7°	120.0°
B1	O21	H3	109.5°	114.0°
B1	O20	P1	122.2°	114.0°
N6	O7	C8	123.4°	114.0°
O20	P1	O3	107.1°	109.5°
O20	P1	O5	110.9°	109.5°
O20	P1	O2	110.1°	109.5°
O7	C8	C9	109.6°	109.5°
O7	C8	C11	108.7°	109.4°
O7	C8	C10	108.8°	109.5°
O3	P1	O5	113.6°	109.5°
O3	P1	O2	108.1°	109.5°
O5	P1	O2	107.0°	109.5°
P1	O5	H1	109.5°	114.0°
P1	O2	H2	109.5°	114.0°
O12	C11	C8	117.5°	120.0°
O12	C11	O13	122.1°	120.0°
C9	C8	C11	108.7°	109.4°
C9	C8	C10	110.8°	109.5°
C8	C9	H11	109.5°	109.5°
C8	C9	H12	109.5°	109.4°
C8	C9	H13	109.4°	109.4°
C11	C8	C10	110.2°	109.5°
C8	C11	O13	120.4°	120.0°
C8	C10	H8	109.5°	109.5°
C8	C10	H9	109.5°	109.5°
C8	C10	H10	109.5°	109.5°
C11	O13	H7	109.5°	116.9°
H4	C1	H5	109.5°	109.5°
H8	C10	H9	109.4°	109.4°
H8	C10	H10	109.5°	109.5°
H9	C10	H10	109.5°	109.5°
H11	C9	H12	109.5°	109.5°
H11	C9	H13	109.4°	109.5°
H12	C9	H13	109.5°	109.5°
H14	N19	H15	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N19	C17	N18	S16	179.2°	180.0°
N19	C17	N18	C14	179.0°	179.9°
N19	C17	S16	C15	179.5°	179.9°
C17	N19	H14	H15	120.0°	180.0°
N18	C17	S16	C15	0.3°	0.0°
C17	N18	C14	C15	0.7°	0.0°
C17	N18	C14	C5	178.7°	179.8°
N18	C17	N19	H14	0.0°	0.0°
N18	C17	N19	H15	120.0°	180.0°
S16	C17	N18	C14	0.2°	0.0°
C17	S16	C15	C14	0.6°	0.0°
S16	C17	N19	H14	179.2°	180.0°
S16	C17	N19	H15	59.1°	0.1°
C17	S16	C15	H16	179.4°	179.7°
N18	C14	C15	S16	0.9°	0.0°
N18	C14	C15	C5	178.0°	179.8°
N18	C14	C5	C3	9.2°	5.1°
N18	C14	C5	N6	167.7°	175.0°
N18	C14	C15	H16	179.1°	179.7°
S16	C15	C14	H16	180.0°	179.7°
S16	C15	C14	C5	178.9°	179.8°
O4	C3	C5	C14	58.3°	174.6°
O4	C3	C5	N2	179.6°	180.0°
O4	C3	C5	N6	118.8°	5.4°
O4	C3	N2	C1	0.5°	5.2°
O4	C3	N2	H6	179.5°	174.7°
C15	C14	C5	C3	173.0°	174.7°
C15	C14	C5	N6	10.1°	5.3°
C14	C5	C3	N6	177.0°	180.0°
C14	C5	C3	N2	122.1°	5.5°
C14	C5	N6	O7	178.4°	174.8°
C5	C14	C15	H16	1.1°	0.0°
C5	C3	N2	C1	180.0°	174.7°
C3	C5	N6	O7	1.6°	5.2°
C5	C3	N2	H6	0.0°	5.3°
N2	C3	C5	N6	60.8°	174.6°
C3	N2	C1	H6	180.0°	179.9°
C3	N2	C1	B1	142.3°	95.0°
C3	N2	C1	H4	22.0°	25.1°
C3	N2	C1	H5	97.5°	145.0°
C5	N6	O7	C8	147.7°	180.0°
N2	C1	B1	H4	120.2°	120.0°
N2	C1	B1	H5	120.2°	120.0°
N2	C1	B1	O21	22.5°	0.0°
N2	C1	B1	O20	107.3°	180.0°
N2	C1	H4	H5	119.3°	120.0°
C1	B1	O21	O20	127.2°	180.0°
C1	B1	O20	P1	84.2°	180.0°
C1	B1	O21	H3	81.5°	0.0°
B1	C1	H4	H5	119.3°	120.0°
B1	C1	N2	H6	37.7°	85.0°
O21	B1	O20	P1	42.7°	0.0°
O21	B1	C1	H4	97.8°	120.0°
O21	B1	C1	H5	142.7°	120.0°
B1	O20	P1	O3	14.6°	60.0°
B1	O20	P1	O5	109.9°	60.0°
B1	O20	P1	O2	131.9°	180.0°
O20	B1	O21	H3	45.8°	180.0°
O20	B1	C1	H4	132.5°	60.0°
O20	B1	C1	H5	12.9°	60.0°
N6	O7	C8	C9	58.5°	60.1°
N6	O7	C8	C11	60.1°	180.0°
N6	O7	C8	C10	179.9°	60.0°
O20	P1	O3	O5	122.8°	120.0°
O20	P1	O3	O2	118.6°	120.0°
O20	P1	O5	O2	120.1°	120.0°
O20	P1	O5	H1	120.7°	60.0°
O20	P1	O2	H2	116.7°	180.0°
O7	C8	C11	O12	51.1°	0.0°
O7	C8	C9	C11	118.6°	119.9°
O7	C8	C9	C10	120.1°	120.0°
O7	C8	C11	C10	119.1°	120.0°
O7	C8	C11	O13	129.4°	180.0°
O7	C8	C10	H8	180.0°	60.1°
O7	C8	C10	H9	60.0°	180.0°
O7	C8	C10	H10	60.0°	60.0°
O7	C8	C9	H11	180.0°	59.9°
O7	C8	C9	H12	60.0°	180.0°
O7	C8	C9	H13	60.0°	60.1°
O3	P1	O5	O2	119.3°	120.0°
O3	P1	O5	H1	0.0°	180.0°
O3	P1	O2	H2	0.0°	60.0°
O5	P1	O2	H2	122.7°	60.0°
O2	P1	O5	H1	119.3°	60.0°
O12	C11	C8	C9	68.1°	120.0°
O12	C11	C8	O13	179.5°	179.9°
O12	C11	C8	C10	170.3°	119.9°
O12	C11	O13	H7	0.0°	0.0°
C9	C8	C11	C10	121.7°	120.0°
C9	C8	C11	O13	111.4°	60.0°
C9	C8	C10	H8	59.5°	60.0°
C9	C8	C10	H9	179.4°	60.0°
C9	C8	C10	H10	60.6°	180.0°
C8	C9	H11	H12	120.0°	120.0°
C8	C9	H11	H13	120.0°	120.0°
C8	C9	H12	H13	120.0°	119.9°
C8	C11	O13	H7	179.4°	180.0°
C11	C8	C10	H8	60.9°	180.0°
C11	C8	C10	H9	59.0°	60.0°
C11	C8	C10	H10	179.0°	60.0°
C11	C8	C9	H11	61.3°	60.0°
C11	C8	C9	H12	178.7°	60.1°
C11	C8	C9	H13	58.6°	180.0°
C10	C8	C11	O13	10.3°	60.0°
C8	C10	H8	H9	120.0°	120.0°
C8	C10	H8	H10	120.0°	120.1°
C8	C10	H9	H10	120.0°	120.0°
C10	C8	C9	H11	59.9°	180.0°
C10	C8	C9	H12	60.1°	60.0°
C10	C8	C9	H13	179.9°	60.0°
H4	C1	N2	H6	158.0°	155.0°
H5	C1	N2	H6	82.5°	35.0°
H8	C10	H9	H10	120.0°	120.0°
H11	C9	H12	H13	120.0°	120.1°

Release date:	2020-10-21
Definition date:	2019-07-25
Last modified:	2020-10-16
Release status:	REL
Processing site:	RCSB
Derived from:	6PWL