PXF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C0	sing	1.47Å	1.42Å
C1	C2	doub	1.39Å	1.43Å
C1	C11	sing	1.47Å	1.42Å
C0	O1	doub	1.22Å	1.23Å
C2	N2	sing	1.38Å	1.34Å
C2	C3	sing	1.47Å	1.42Å
N2	HN21	sing	0.97Å	1.00Å
N2	HN22	sing	0.97Å	1.00Å
C3	O3	doub	1.22Å	1.24Å
C3	C4	sing	1.40Å	1.42Å
C4	C12	doub	1.38Å	1.41Å
C4	C15	sing	1.51Å	1.52Å
O5	C12	sing	1.35Å	1.36Å
O5	C13	sing	1.35Å	1.35Å
C6	C7	doub	1.38Å	1.41Å	Aromatic
C6	C13	sing	1.39Å	1.41Å	Aromatic
C6	C16	sing	1.51Å	1.52Å
C7	C8	sing	1.39Å	1.41Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	F8	sing	1.35Å	1.35Å
C8	C9	doub	1.39Å	1.42Å	Aromatic
C9	C0'	sing	1.47Å	1.41Å
C9	C14	sing	1.42Å	1.42Å	Aromatic
C0'	O1'	doub	1.22Å	1.24Å
N10	C11	doub	1.32Å	1.32Å
N10	C14	sing	1.34Å	1.32Å
C11	C12	sing	1.47Å	1.42Å
C13	C14	doub	1.41Å	1.42Å	Aromatic
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C15	H153	sing	1.09Å	1.10Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C16	H163	sing	1.09Å	1.10Å
C0'	OXT'	sing	1.35Å	26.08Å
C0	OXT	sing	1.35Å	24.56Å
OXT'	HXT'	sing	0.97Å	0.00Å
OXT	HXT	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C0	C1	C2	123.5°	120.5°
C0	C1	C11	117.7°	120.5°
C1	C0	O1	119.0°	120.0°
C1	C0	OXT	161.5°	120.0°
C2	C1	C11	118.8°	118.9°
C1	C2	N2	122.8°	120.1°
C1	C2	C3	119.9°	119.9°
C1	C11	N10	120.1°	120.9°
C1	C11	C12	121.1°	119.4°
O1	C0	OXT	62.4°	120.0°
N2	C2	C3	117.3°	120.1°
C2	N2	HN21	109.5°	120.0°
C2	N2	HN22	109.5°	120.0°
C2	C3	O3	119.1°	119.5°
C2	C3	C4	120.8°	120.9°
HN21	N2	HN22	109.5°	120.1°
O3	C3	C4	120.1°	119.6°
C3	C4	C12	119.4°	120.8°
C3	C4	C15	120.8°	119.6°
C12	C4	C15	119.7°	119.6°
C4	C12	O5	121.4°	120.8°
C4	C12	C11	120.0°	120.1°
C4	C15	H151	109.5°	109.5°
C4	C15	H152	109.4°	109.5°
C4	C15	H153	109.4°	109.5°
C12	O5	C13	121.4°	119.3°
O5	C12	C11	118.6°	119.2°
O5	C13	C6	121.7°	119.8°
O5	C13	C14	118.5°	120.5°
C7	C6	C13	119.5°	120.5°
C7	C6	C16	119.6°	119.7°
C6	C7	C8	120.8°	120.7°
C6	C7	H7	119.6°	119.6°
C13	C6	C16	121.0°	119.8°
C6	C13	C14	119.9°	119.7°
C6	C16	H161	109.5°	109.5°
C6	C16	H162	109.5°	109.4°
C6	C16	H163	109.5°	109.5°
C8	C7	H7	119.6°	119.6°
C7	C8	F8	117.9°	119.9°
C7	C8	C9	120.3°	120.2°
F8	C8	C9	121.7°	119.8°
C8	C9	C0'	122.4°	120.3°
C8	C9	C14	118.7°	119.5°
C0'	C9	C14	118.8°	120.3°
C9	C0'	O1'	118.5°	120.0°
C9	C0'	OXT'	158.5°	120.0°
C9	C14	N10	120.2°	119.8°
C9	C14	C13	120.8°	119.4°
O1'	C0'	OXT'	63.9°	120.0°
C11	N10	C14	123.8°	120.4°
N10	C11	C12	118.8°	119.7°
N10	C14	C13	119.0°	120.9°
H151	C15	H152	109.5°	109.4°
H151	C15	H153	109.5°	109.5°
H152	C15	H153	109.5°	109.4°
H161	C16	H162	109.4°	109.5°
H161	C16	H163	109.5°	109.5°
H162	C16	H163	109.5°	109.4°
C0'	OXT'	HXT'	90.0°	117.0°
C0	OXT	HXT	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C0	C1	C2	C11	179.2°	179.7°
C1	C0	O1	OXT	159.0°	180.0°
C0	C1	C2	N2	0.2°	0.0°
C0	C1	C2	C3	179.7°	180.0°
C0	C1	C11	N10	0.3°	0.1°
C0	C1	C11	C12	179.6°	179.7°
C1	C0	OXT	HXT	90.0°	180.0°
C2	C1	C0	O1	91.0°	5.9°
C1	C2	N2	C3	179.9°	180.0°
C1	C2	N2	HN21	180.0°	5.6°
C1	C2	N2	HN22	60.0°	174.4°
C1	C2	C3	O3	180.0°	180.0°
C1	C2	C3	C4	0.3°	0.0°
C2	C1	C11	N10	179.5°	179.7°
C2	C1	C11	C12	0.3°	0.6°
C2	C1	C0	OXT	1.8°	174.1°
C11	C1	C0	O1	88.3°	173.7°
C11	C1	C2	N2	179.5°	179.7°
C11	C1	C2	C3	0.4°	0.3°
C1	C11	C12	C4	0.1°	0.6°
C1	C11	C12	O5	179.9°	179.7°
C1	C11	N10	C12	179.9°	179.6°
C1	C11	N10	C14	180.0°	179.9°
C11	C1	C0	OXT	177.5°	6.3°
O1	C0	OXT	HXT	90.0°	0.0°
C2	N2	HN21	HN22	120.0°	180.0°
N2	C2	C3	O3	0.1°	0.0°
N2	C2	C3	C4	179.6°	180.0°
C3	C2	N2	HN21	0.1°	174.5°
C3	C2	N2	HN22	120.1°	5.6°
C2	C3	O3	C4	179.7°	180.0°
C2	C3	C4	C12	0.0°	0.0°
C2	C3	C4	C15	179.8°	180.0°
O3	C3	C4	C12	179.7°	180.0°
O3	C3	C4	C15	0.1°	0.0°
C3	C4	C12	C15	179.8°	179.9°
C3	C4	C12	O5	179.7°	180.0°
C3	C4	C12	C11	0.1°	0.3°
C3	C4	C15	H151	180.0°	0.0°
C3	C4	C15	H152	60.0°	120.0°
C3	C4	C15	H153	60.0°	120.0°
C4	C12	O5	C11	179.8°	179.6°
C4	C12	O5	C13	179.9°	180.0°
C4	C12	C11	N10	179.8°	179.7°
C12	C4	C15	H151	0.2°	180.0°
C12	C4	C15	H152	120.2°	60.0°
C12	C4	C15	H153	119.8°	59.9°
C15	C4	C12	O5	0.1°	0.1°
C15	C4	C12	C11	179.9°	179.7°
C4	C15	H151	H152	120.0°	120.0°
C4	C15	H151	H153	120.0°	120.1°
C4	C15	H152	H153	120.0°	120.0°
C12	O5	C13	C6	180.0°	180.0°
O5	C12	C11	N10	0.0°	0.1°
C12	O5	C13	C14	0.2°	0.7°
O5	C13	C6	C7	180.0°	180.0°
O5	C13	C6	C14	179.7°	179.3°
O5	C13	C6	C16	0.0°	0.0°
O5	C13	C14	C9	179.8°	179.8°
O5	C13	C14	N10	0.2°	1.0°
C13	O5	C12	C11	0.2°	0.3°
C7	C6	C13	C16	180.0°	179.9°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	F8	179.7°	180.0°
C6	C7	C8	C9	0.2°	0.9°
C7	C6	C13	C14	0.2°	0.7°
C7	C6	C16	H161	90.0°	90.0°
C7	C6	C16	H162	150.0°	150.0°
C7	C6	C16	H163	30.0°	30.1°
C13	C6	C7	C8	0.1°	0.0°
C13	C6	C7	H7	179.9°	179.9°
C6	C13	C14	C9	0.0°	0.5°
C6	C13	C14	N10	179.9°	179.8°
C13	C6	C16	H161	90.0°	89.9°
C13	C6	C16	H162	30.0°	30.1°
C13	C6	C16	H163	150.0°	150.0°
C16	C6	C7	C8	179.9°	180.0°
C16	C6	C7	H7	0.1°	0.0°
C16	C6	C13	C14	179.8°	179.3°
C6	C16	H161	H162	120.0°	120.0°
C6	C16	H161	H163	120.0°	120.1°
C6	C16	H162	H163	120.0°	119.9°
C7	C8	F8	C9	179.9°	179.1°
C7	C8	C9	C0'	179.9°	180.0°
C7	C8	C9	C14	0.4°	1.1°
H7	C7	C8	F8	0.3°	0.0°
H7	C7	C8	C9	179.8°	179.1°
F8	C8	C9	C0'	0.2°	0.9°
F8	C8	C9	C14	179.4°	179.8°
C8	C9	C0'	C14	179.6°	178.9°
C8	C9	C0'	O1'	91.6°	90.0°
C8	C9	C14	N10	179.7°	178.9°
C8	C9	C14	C13	0.3°	0.4°
C8	C9	C0'	OXT'	177.6°	90.1°
C9	C0'	O1'	OXT'	156.0°	179.9°
C0'	C9	C14	N10	0.1°	0.0°
C0'	C9	C14	C13	180.0°	179.3°
C9	C0'	OXT'	HXT'	90.0°	180.0°
C14	C9	C0'	O1'	88.1°	91.1°
C9	C14	N10	C11	179.9°	180.0°
C9	C14	N10	C13	180.0°	179.3°
C14	C9	C0'	OXT'	2.8°	88.8°
O1'	C0'	OXT'	HXT'	90.0°	0.1°
C11	N10	C14	C13	0.0°	0.7°
C14	N10	C11	C12	0.1°	0.3°
H151	C15	H152	H153	120.1°	120.0°
H161	C16	H162	H163	120.0°	120.0°

Definition date:	1999-07-08
Last modified:	2024-06-28
Release status:	REL
Processing site:	PDBJ