SWV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	doub	1.39Å	1.38Å	Aromatic
C4	N2	sing	1.32Å	1.32Å	Aromatic
C3	N1	sing	1.32Å	1.33Å	Aromatic
N2	C5	doub	1.32Å	1.34Å	Aromatic
N1	C2	doub	1.33Å	1.34Å	Aromatic
C5	C2	sing	1.39Å	1.37Å	Aromatic
C2	C1	sing	1.48Å	1.50Å
C1	N3	sing	1.35Å	1.35Å
C1	O1	doub	1.21Å	1.22Å
N3	C6	sing	1.40Å	1.41Å
C14	C13	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.38Å	1.37Å	Aromatic
C13	C12	sing	1.38Å	1.38Å	Aromatic
C7	C6	doub	1.39Å	1.40Å	Aromatic
C7	C8	sing	1.38Å	1.38Å	Aromatic
C6	C17	sing	1.39Å	1.40Å	Aromatic
C15	C16	doub	1.38Å	1.36Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C12	C11	doub	1.39Å	1.38Å	Aromatic
C17	C10	doub	1.38Å	1.39Å	Aromatic
C16	C11	sing	1.39Å	1.38Å	Aromatic
C16	F1	sing	1.35Å	1.34Å
C9	C10	sing	1.38Å	1.40Å	Aromatic
C10	S1	sing	1.76Å	1.77Å
C11	N4	sing	1.40Å	1.42Å
N4	S1	sing	1.66Å	1.60Å
O3	S1	doub	1.42Å	1.44Å
S1	O2	doub	1.42Å	1.44Å
N3	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
N4	H11	sing	0.97Å	1.00Å
C12	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	N2	122.0°	120.2°
C4	C3	N1	122.2°	120.2°
C3	C4	H2	119.0°	119.9°
C4	C3	H9	118.9°	119.9°
C4	N2	C5	115.9°	120.0°
N2	C4	H2	119.0°	119.9°
C3	N1	C2	115.7°	119.9°
N1	C3	H9	118.9°	119.9°
N2	C5	C2	121.9°	119.9°
N2	C5	H3	119.0°	120.0°
N1	C2	C5	122.2°	119.8°
N1	C2	C1	119.2°	120.2°
C5	C2	C1	118.5°	120.1°
C2	C5	H3	119.1°	120.1°
C2	C1	N3	115.4°	120.0°
C2	C1	O1	119.6°	120.1°
N3	C1	O1	125.0°	120.0°
C1	N3	C6	127.5°	120.0°
C1	N3	H1	116.2°	120.0°
N3	C6	C7	118.4°	120.1°
N3	C6	C17	121.4°	120.1°
C6	N3	H1	116.2°	120.0°
C13	C14	C15	119.9°	120.2°
C14	C13	C12	120.7°	120.1°
C14	C13	H6	119.7°	119.9°
C13	C14	H13	120.0°	119.9°
C14	C15	C16	118.6°	120.0°
C14	C15	H7	120.7°	120.0°
C15	C14	H13	120.0°	119.9°
C13	C12	C11	119.6°	119.9°
C12	C13	H6	119.7°	119.9°
C13	C12	H12	120.2°	120.1°
C6	C7	C8	120.5°	119.9°
C7	C6	C17	120.2°	119.8°
C6	C7	H4	119.8°	120.0°
C7	C8	C9	120.3°	120.1°
C8	C7	H4	119.8°	120.0°
C7	C8	H5	119.9°	119.9°
C6	C17	C10	118.1°	119.9°
C6	C17	H8	120.9°	120.0°
C15	C16	C11	123.3°	119.9°
C15	C16	F1	118.0°	120.1°
C16	C15	H7	120.7°	120.0°
C8	C9	C10	119.0°	120.1°
C9	C8	H5	119.9°	120.0°
C8	C9	H10	120.5°	119.9°
C12	C11	C16	117.7°	119.8°
C12	C11	N4	124.0°	120.1°
C11	C12	H12	120.2°	120.0°
C17	C10	C9	122.0°	120.1°
C17	C10	S1	119.3°	119.9°
C10	C17	H8	121.0°	120.1°
C11	C16	F1	118.8°	120.1°
C16	C11	N4	118.0°	120.1°
C9	C10	S1	118.7°	119.9°
C10	C9	H10	120.5°	120.0°
C10	S1	N4	107.7°	107.2°
C10	S1	O3	107.5°	106.4°
C10	S1	O2	102.8°	106.4°
C11	N4	S1	123.4°	120.0°
C11	N4	H11	105.9°	120.0°
N4	S1	O3	110.2°	106.4°
N4	S1	O2	107.7°	106.4°
S1	N4	H11	105.9°	120.0°
O3	S1	O2	120.2°	123.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	N2	H2	180.0°	180.0°
C4	C3	N1	H9	180.0°	180.0°
C3	C4	N2	C5	2.0°	0.0°
C4	C3	N1	C2	0.2°	0.1°
N2	C4	C3	N1	2.7°	0.0°
C4	N2	C5	C2	0.9°	0.0°
C4	N2	C5	H3	179.1°	180.0°
N2	C4	C3	H9	177.3°	180.0°
C3	N1	C2	C5	2.7°	0.1°
C3	N1	C2	C1	179.9°	180.0°
N1	C3	C4	H2	177.3°	180.0°
N2	C5	C2	N1	3.5°	0.0°
N2	C5	C2	H3	180.0°	180.0°
N2	C5	C2	C1	179.3°	180.0°
C5	N2	C4	H2	178.0°	180.0°
N1	C2	C5	C1	177.2°	180.0°
N1	C2	C1	N3	12.1°	0.1°
N1	C2	C1	O1	166.1°	180.0°
N1	C2	C5	H3	176.5°	180.0°
C2	N1	C3	H9	179.7°	180.0°
C5	C2	C1	N3	170.5°	180.0°
C5	C2	C1	O1	11.2°	0.0°
C2	C1	N3	O1	178.1°	179.9°
C2	C1	N3	C6	172.9°	174.8°
C2	C1	N3	H1	7.1°	5.3°
C1	C2	C5	H3	0.7°	0.0°
C1	N3	C6	H1	180.0°	179.9°
C1	N3	C6	C7	176.1°	33.4°
C1	N3	C6	C17	1.7°	146.9°
O1	C1	N3	C6	9.0°	5.2°
O1	C1	N3	H1	171.0°	174.7°
N3	C6	C7	C17	177.9°	179.7°
N3	C6	C7	C8	179.3°	179.9°
N3	C6	C17	C10	177.7°	180.0°
N3	C6	C7	H4	0.7°	0.1°
N3	C6	C17	H8	2.3°	0.1°
C13	C14	C15	H13	180.0°	179.9°
C14	C13	C12	H6	180.0°	179.7°
C13	C14	C15	C16	3.2°	0.0°
C14	C13	C12	C11	4.6°	0.3°
C13	C14	C15	H7	176.8°	179.8°
C14	C13	C12	H12	175.5°	179.7°
C15	C14	C13	C12	4.5°	0.1°
C14	C15	C16	H7	180.0°	179.8°
C14	C15	C16	C11	2.1°	0.2°
C14	C15	C16	F1	177.5°	179.7°
C15	C14	C13	H6	175.5°	179.7°
C13	C12	C11	H12	180.0°	180.0°
C13	C12	C11	C16	3.3°	0.5°
C13	C12	C11	N4	177.7°	180.0°
C12	C13	C14	H13	175.5°	180.0°
C6	C7	C8	H4	180.0°	180.0°
C6	C7	C8	C9	2.0°	0.1°
C7	C6	C17	C10	0.1°	0.3°
C7	C6	N3	H1	3.9°	146.7°
C6	C7	C8	H5	178.0°	180.0°
C7	C6	C17	H8	179.9°	179.8°
C8	C7	C6	C17	1.4°	0.2°
C7	C8	C9	H5	180.0°	179.9°
C7	C8	C9	C10	1.0°	0.3°
C7	C8	C9	H10	179.0°	180.0°
C6	C17	C10	H8	180.0°	180.0°
C6	C17	C10	C9	1.1°	0.0°
C6	C17	C10	S1	179.2°	180.0°
C17	C6	N3	H1	178.3°	33.0°
C17	C6	C7	H4	178.6°	179.8°
C15	C16	C11	C12	2.1°	0.4°
C15	C16	C11	F1	179.6°	179.9°
C15	C16	C11	N4	176.9°	180.0°
C16	C15	C14	H13	176.8°	179.9°
C8	C9	C10	C17	0.6°	0.3°
C8	C9	C10	H10	180.0°	179.7°
C8	C9	C10	S1	178.7°	179.7°
C9	C8	C7	H4	178.0°	179.9°
C12	C11	C16	N4	174.8°	179.6°
C12	C11	C16	F1	177.5°	179.5°
C12	C11	N4	S1	1.4°	35.5°
C11	C12	C13	H6	175.4°	180.0°
C12	C11	N4	H11	123.3°	144.5°
C17	C10	C9	S1	178.1°	180.0°
C17	C10	S1	N4	119.0°	90.0°
C17	C10	S1	O3	0.3°	23.5°
C17	C10	S1	O2	127.4°	156.5°
C17	C10	C9	H10	179.4°	180.0°
C16	C11	N4	S1	173.0°	144.0°
C11	C16	C15	H7	177.9°	179.9°
C16	C11	N4	H11	51.1°	36.0°
C16	C11	C12	H12	176.7°	179.5°
F1	C16	C11	N4	2.7°	0.1°
F1	C16	C15	H7	2.5°	0.0°
C9	C10	S1	N4	62.8°	90.0°
C9	C10	S1	O3	178.4°	156.5°
C9	C10	S1	O2	50.7°	23.5°
C10	C9	C8	H5	179.0°	179.8°
C9	C10	C17	H8	178.9°	180.0°
C10	S1	N4	C11	65.2°	60.4°
C10	S1	N4	O3	116.9°	113.5°
C10	S1	N4	O2	110.2°	113.5°
C10	S1	O3	O2	116.9°	123.0°
S1	C10	C17	H8	0.8°	0.0°
S1	C10	C9	H10	1.3°	0.0°
C10	S1	N4	H11	56.7°	119.6°
C11	N4	S1	H11	121.9°	180.0°
C11	N4	S1	O3	51.7°	174.0°
C11	N4	S1	O2	175.5°	53.1°
N4	C11	C12	H12	2.3°	0.0°
N4	S1	O3	O2	126.1°	122.9°
O3	S1	N4	H11	173.6°	6.0°
O2	S1	N4	H11	53.6°	126.9°
H2	C4	C3	H9	2.7°	0.0°
H4	C7	C8	H5	2.0°	0.0°
H5	C8	C9	H10	1.0°	0.1°
H6	C13	C12	H12	4.5°	0.1°
H6	C13	C14	H13	4.5°	0.4°
H7	C15	C14	H13	3.2°	0.3°

Release date:	2021-04-07
Definition date:	2020-03-13
Last modified:	2021-04-02
Release status:	REL
Processing site:	RCSB
Derived from:	6W49