PK4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	sing	1.47Å	0.00Å
N2	S3	sing	1.66Å	0.00Å
F13	C12	sing	1.35Å	0.00Å
C11	C10	sing	1.51Å	0.00Å
O4	S3	doub	1.42Å	0.00Å
C12	C10	doub	1.39Å	0.00Å	Aromatic
C12	C6	sing	1.38Å	0.00Å	Aromatic
C10	C9	sing	1.38Å	0.00Å	Aromatic
S3	C6	sing	1.76Å	0.00Å
S3	O5	doub	1.42Å	0.00Å
C6	C7	doub	1.38Å	0.00Å	Aromatic
C9	C8	doub	1.38Å	0.00Å	Aromatic
C7	C8	sing	1.38Å	0.00Å	Aromatic
C1	H1	sing	1.09Å	0.00Å
C1	H2	sing	1.09Å	0.00Å
C1	H3	sing	1.09Å	0.00Å
C11	H4	sing	1.09Å	0.00Å
C11	H5	sing	1.09Å	0.00Å
C11	H6	sing	1.09Å	0.00Å
C7	H7	sing	1.08Å	0.00Å
C8	H8	sing	1.08Å	0.00Å
C9	H9	sing	1.08Å	0.00Å
N2	H10	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N2	S3	90.0°	120.0°
N2	C1	H1	90.0°	109.5°
N2	C1	H2	90.0°	109.5°
N2	C1	H3	90.0°	109.4°
C1	N2	H10	90.0°	120.1°
N2	S3	O4	90.0°	106.4°
N2	S3	C6	90.0°	107.2°
N2	S3	O5	90.0°	106.4°
S3	N2	H10	90.0°	120.0°
F13	C12	C10	90.0°	120.0°
F13	C12	C6	90.0°	120.1°
C11	C10	C12	90.0°	120.0°
C11	C10	C9	90.0°	120.1°
C10	C11	H4	90.0°	109.5°
C10	C11	H5	90.0°	109.5°
C10	C11	H6	90.0°	109.5°
O4	S3	C6	90.0°	106.4°
O4	S3	O5	90.0°	123.1°
C10	C12	C6	90.0°	119.9°
C12	C10	C9	90.0°	120.0°
C12	C6	S3	90.0°	120.0°
C12	C6	C7	90.0°	120.0°
C10	C9	C8	90.0°	120.0°
C10	C9	H9	90.0°	119.9°
C6	S3	O5	90.0°	106.4°
S3	C6	C7	90.0°	120.0°
C6	C7	C8	90.0°	120.0°
C6	C7	H7	90.0°	120.0°
C9	C8	C7	90.0°	120.1°
C9	C8	H8	90.0°	120.0°
C8	C9	H9	90.0°	120.0°
C8	C7	H7	90.0°	120.0°
C7	C8	H8	90.0°	120.0°
H1	C1	H2	90.0°	109.5°
H1	C1	H3	90.0°	109.5°
H2	C1	H3	90.0°	109.5°
H4	C11	H5	90.0°	109.4°
H4	C11	H6	90.0°	109.5°
H5	C11	H6	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N2	S3	H10	90.0°	180.0°
C1	N2	S3	O4	90.0°	48.6°
C1	N2	S3	C6	90.0°	65.0°
C1	N2	S3	O5	90.0°	178.5°
N2	C1	H1	H2	90.0°	120.0°
N2	C1	H1	H3	90.0°	119.9°
N2	C1	H2	H3	90.0°	119.9°
N2	S3	O4	C6	90.0°	114.1°
N2	S3	O4	O5	90.0°	123.0°
N2	S3	C6	C12	90.0°	65.0°
N2	S3	C6	O5	90.0°	113.6°
N2	S3	C6	C7	90.0°	115.0°
S3	N2	C1	H1	90.0°	60.0°
S3	N2	C1	H2	90.0°	60.0°
S3	N2	C1	H3	90.0°	180.0°
F13	C12	C10	C11	90.0°	0.3°
F13	C12	C10	C6	90.0°	179.7°
F13	C12	C10	C9	90.0°	179.7°
F13	C12	C6	S3	90.0°	0.3°
F13	C12	C6	C7	90.0°	179.7°
C11	C10	C12	C9	90.0°	179.9°
C11	C10	C12	C6	90.0°	180.0°
C11	C10	C9	C8	90.0°	180.0°
C10	C11	H4	H5	90.0°	119.9°
C10	C11	H4	H6	90.0°	120.1°
C10	C11	H5	H6	90.0°	120.0°
C11	C10	C9	H9	90.0°	0.1°
O4	S3	C6	C12	90.0°	48.6°
O4	S3	C6	O5	90.0°	132.9°
O4	S3	C6	C7	90.0°	131.4°
O4	S3	N2	H10	90.0°	131.5°
C10	C12	C6	S3	90.0°	179.9°
C10	C12	C6	C7	90.0°	0.1°
C12	C10	C9	C8	90.0°	0.1°
C12	C10	C11	H4	90.0°	90.1°
C12	C10	C11	H5	90.0°	150.0°
C12	C10	C11	H6	90.0°	30.0°
C12	C10	C9	H9	90.0°	180.0°
C6	C12	C10	C9	90.0°	0.1°
C12	C6	S3	C7	90.0°	180.0°
C12	C6	S3	O5	90.0°	178.6°
C12	C6	C7	C8	90.0°	0.1°
C12	C6	C7	H7	90.0°	180.0°
C10	C9	C8	H9	90.0°	179.9°
C10	C9	C8	C7	90.0°	0.1°
C9	C10	C11	H4	90.0°	90.0°
C9	C10	C11	H5	90.0°	29.9°
C9	C10	C11	H6	90.0°	149.9°
C10	C9	C8	H8	90.0°	180.0°
S3	C6	C7	C8	90.0°	179.9°
S3	C6	C7	H7	90.0°	0.0°
C6	S3	N2	H10	90.0°	115.0°
O5	S3	C6	C7	90.0°	1.4°
O5	S3	N2	H10	90.0°	1.4°
C6	C7	C8	C9	90.0°	0.1°
C6	C7	C8	H7	90.0°	179.9°
C6	C7	C8	H8	90.0°	180.0°
C9	C8	C7	H8	90.0°	179.9°
C9	C8	C7	H7	90.0°	180.0°
C7	C8	C9	H9	90.0°	180.0°
H1	C1	H2	H3	90.0°	120.0°
H1	C1	N2	H10	90.0°	120.0°
H2	C1	N2	H10	90.0°	120.0°
H3	C1	N2	H10	90.0°	0.0°
H4	C11	H5	H6	90.0°	120.0°
H7	C7	C8	H8	90.0°	0.1°
H8	C8	C9	H9	90.0°	0.1°

Release date:	2020-09-30
Definition date:	2019-08-12
Last modified:	2020-09-25
Release status:	REL
Processing site:	RCSB