WPM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N5	N4	sing	1.40Å	1.34Å	Aromatic
N5	C15	doub	1.30Å	1.31Å	Aromatic
O1	S1	doub	1.42Å	1.47Å
N4	C9	sing	1.37Å	1.38Å	Aromatic
C15	C10	sing	1.46Å	1.43Å	Aromatic
C9	C10	doub	1.41Å	1.42Å	Aromatic
C9	C14	sing	1.39Å	1.40Å	Aromatic
S1	O2	doub	1.42Å	1.47Å
S1	C14	sing	1.76Å	1.79Å
S1	N3	sing	1.66Å	1.77Å
C10	C11	sing	1.40Å	1.40Å	Aromatic
C14	C13	doub	1.37Å	1.40Å	Aromatic
O3	C6	doub	1.21Å	1.23Å
C11	C12	doub	1.36Å	1.40Å	Aromatic
C6	C7	sing	1.51Å	1.54Å
C6	N2	sing	1.35Å	1.36Å
O4	C1	doub	1.22Å	1.23Å
C16	N1	sing	1.46Å	1.47Å
C1	N1	sing	1.35Å	1.38Å
C1	C5	sing	1.40Å	1.47Å
N1	C2	sing	1.36Å	1.38Å
C7	N3	sing	1.47Å	1.47Å
C5	C4	doub	1.38Å	1.36Å
C2	C3	doub	1.35Å	1.35Å
C4	C3	sing	1.41Å	1.46Å
C4	N2	sing	1.39Å	1.38Å
C13	C12	sing	1.39Å	1.40Å	Aromatic
N3	C8	sing	1.46Å	1.48Å
C12	C17	sing	1.51Å	1.52Å
C11	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C16	H4	sing	1.09Å	1.10Å
C16	H5	sing	1.09Å	1.10Å
C16	H6	sing	1.09Å	1.10Å
C17	H7	sing	1.09Å	1.10Å
C17	H8	sing	1.09Å	1.10Å
C17	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.08Å	1.08Å
C5	H12	sing	1.08Å	1.08Å
C7	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C8	H15	sing	1.09Å	1.10Å
C8	H16	sing	1.09Å	1.10Å
C8	H17	sing	1.09Å	1.10Å
N2	H18	sing	0.97Å	1.00Å
N4	H19	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N4	N5	C15	106.7°	110.1°
N5	N4	C9	112.5°	109.0°
N5	N4	H19	123.8°	125.5°
N5	C15	C10	111.6°	107.8°
N5	C15	H3	124.2°	126.1°
O1	S1	O2	119.2°	123.1°
O1	S1	C14	107.3°	106.4°
O1	S1	N3	108.4°	106.4°
N4	C9	C10	105.3°	106.8°
N4	C9	C14	132.5°	133.8°
C9	N4	H19	123.8°	125.5°
C15	C10	C9	104.0°	106.3°
C15	C10	C11	136.6°	134.0°
C10	C15	H3	124.2°	126.1°
C10	C9	C14	122.2°	119.4°
C9	C10	C11	119.5°	119.7°
C9	C14	S1	120.9°	120.1°
C9	C14	C13	117.0°	119.9°
O2	S1	C14	108.4°	106.4°
O2	S1	N3	107.4°	106.4°
C14	S1	N3	105.2°	107.3°
S1	C14	C13	122.0°	120.1°
S1	N3	C7	119.2°	120.0°
S1	N3	C8	117.1°	120.0°
C10	C11	C12	118.9°	119.6°
C10	C11	H1	120.6°	120.2°
C14	C13	C12	121.8°	120.8°
C14	C13	H2	119.1°	119.6°
O3	C6	C7	119.3°	120.0°
O3	C6	N2	126.8°	120.0°
C11	C12	C13	120.6°	120.6°
C11	C12	C17	119.7°	119.7°
C12	C11	H1	120.6°	120.2°
C7	C6	N2	113.9°	120.0°
C6	C7	N3	109.7°	109.5°
C6	C7	H13	109.4°	109.5°
C6	C7	H14	109.4°	109.4°
C6	N2	C4	123.9°	119.9°
C6	N2	H18	118.1°	120.0°
O4	C1	N1	121.3°	119.9°
O4	C1	C5	120.7°	120.0°
C16	N1	C1	120.1°	119.5°
C16	N1	C2	120.7°	119.5°
N1	C16	H4	109.5°	109.5°
N1	C16	H5	109.4°	109.5°
N1	C16	H6	109.5°	109.5°
N1	C1	C5	118.0°	120.2°
C1	N1	C2	119.2°	121.1°
C1	C5	C4	121.8°	119.1°
C1	C5	H12	119.1°	120.5°
N1	C2	C3	124.6°	120.9°
N1	C2	H10	117.7°	119.6°
C7	N3	C8	120.5°	120.0°
N3	C7	H13	109.4°	109.5°
N3	C7	H14	109.4°	109.4°
C5	C4	C3	117.8°	119.0°
C5	C4	N2	123.4°	120.5°
C4	C5	H12	119.1°	120.4°
C2	C3	C4	118.6°	119.8°
C3	C2	H10	117.7°	119.5°
C2	C3	H11	120.7°	120.1°
C3	C4	N2	118.8°	120.5°
C4	C3	H11	120.7°	120.1°
C4	N2	H18	118.1°	120.0°
C13	C12	C17	119.7°	119.7°
C12	C13	H2	119.1°	119.6°
N3	C8	H15	109.5°	109.5°
N3	C8	H16	109.5°	109.5°
N3	C8	H17	109.5°	109.5°
C12	C17	H7	109.5°	109.4°
C12	C17	H8	109.5°	109.5°
C12	C17	H9	109.5°	109.5°
H4	C16	H5	109.5°	109.4°
H4	C16	H6	109.5°	109.5°
H5	C16	H6	109.5°	109.4°
H7	C17	H8	109.5°	109.5°
H7	C17	H9	109.5°	109.4°
H8	C17	H9	109.5°	109.5°
H13	C7	H14	109.5°	109.5°
H15	C8	H16	109.5°	109.4°
H15	C8	H17	109.5°	109.5°
H16	C8	H17	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N5	N4	C9	H19	180.0°	179.9°
N4	N5	C15	C10	0.1°	0.2°
N5	N4	C9	C10	0.1°	0.1°
N5	N4	C9	C14	180.0°	179.3°
N4	N5	C15	H3	179.9°	179.8°
C15	N5	N4	C9	0.2°	0.1°
N5	C15	C10	H3	180.0°	180.0°
N5	C15	C10	C9	0.0°	0.3°
N5	C15	C10	C11	179.8°	180.0°
C15	N5	N4	H19	179.9°	179.9°
O1	S1	C14	C9	26.2°	48.9°
O1	S1	O2	C14	123.0°	123.0°
O1	S1	O2	N3	123.8°	122.9°
O1	S1	C14	N3	115.3°	113.5°
O1	S1	C14	C13	153.5°	131.5°
O1	S1	N3	C7	34.1°	23.6°
O1	S1	N3	C8	165.8°	156.5°
N4	C9	C10	C15	0.1°	0.2°
N4	C9	C10	C14	179.9°	179.4°
N4	C9	C14	S1	0.1°	0.5°
N4	C9	C10	C11	179.7°	180.0°
N4	C9	C14	C13	179.7°	179.8°
C15	C10	C9	C11	179.8°	179.8°
C15	C10	C9	C14	179.9°	179.6°
C15	C10	C11	C12	179.9°	180.0°
C15	C10	C11	H1	0.1°	0.0°
C10	C9	C14	S1	179.9°	179.7°
C10	C9	C14	C13	0.1°	0.7°
C9	C10	C11	C12	0.2°	0.3°
C9	C10	C11	H1	179.8°	179.7°
C9	C10	C15	H3	180.0°	179.7°
C10	C9	N4	H19	179.9°	180.0°
C9	C14	S1	O2	156.2°	178.2°
C9	C14	S1	C13	179.8°	179.7°
C9	C14	S1	N3	89.1°	64.7°
C14	C9	C10	C11	0.1°	0.6°
C9	C14	C13	C12	0.1°	0.4°
C9	C14	C13	H2	179.9°	179.8°
C14	C9	N4	H19	0.1°	0.7°
O2	S1	C14	N3	114.7°	113.5°
O2	S1	C14	C13	23.6°	1.4°
O2	S1	N3	C7	164.2°	156.5°
O2	S1	N3	C8	35.7°	23.6°
C14	S1	N3	C7	80.4°	90.0°
S1	C14	C13	C12	179.9°	180.0°
C14	S1	N3	C8	79.6°	90.0°
S1	C14	C13	H2	0.1°	0.1°
N3	S1	C14	C13	91.1°	115.0°
S1	N3	C7	C6	117.8°	94.9°
S1	N3	C7	C8	159.3°	179.9°
S1	N3	C7	H13	122.1°	145.1°
S1	N3	C7	H14	2.2°	25.0°
S1	N3	C8	H15	180.0°	90.0°
S1	N3	C8	H16	60.0°	29.9°
S1	N3	C8	H17	60.0°	149.9°
C10	C11	C12	H1	180.0°	180.0°
C10	C11	C12	C13	0.2°	0.0°
C10	C11	C12	C17	179.9°	180.0°
C11	C10	C15	H3	0.2°	0.1°
C14	C13	C12	C11	0.2°	0.0°
C14	C13	C12	H2	180.0°	179.9°
C14	C13	C12	C17	179.9°	179.9°
O3	C6	C7	N2	179.9°	179.9°
O3	C6	C7	N3	17.9°	0.1°
O3	C6	N2	C4	0.8°	4.9°
O3	C6	C7	H13	138.0°	120.0°
O3	C6	C7	H14	102.1°	120.0°
O3	C6	N2	H18	179.2°	175.1°
C11	C12	C13	C17	179.9°	179.9°
C11	C12	C13	H2	179.8°	179.9°
C11	C12	C17	H7	89.9°	90.0°
C11	C12	C17	H8	150.1°	150.0°
C11	C12	C17	H9	30.1°	29.9°
C6	C7	N3	H13	120.0°	120.0°
C6	C7	N3	H14	120.1°	120.0°
C7	C6	N2	C4	179.4°	175.2°
C6	C7	N3	C8	82.8°	85.0°
C6	C7	H13	H14	119.9°	120.0°
C7	C6	N2	H18	0.6°	4.8°
N2	C6	C7	N3	161.9°	180.0°
C6	N2	C4	C5	11.6°	122.9°
C6	N2	C4	C3	168.0°	57.1°
C6	N2	C4	H18	180.0°	180.0°
N2	C6	C7	H13	41.9°	60.0°
N2	C6	C7	H14	78.0°	60.0°
O4	C1	N1	C16	0.1°	0.3°
O4	C1	N1	C5	179.9°	179.7°
O4	C1	N1	C2	180.0°	179.7°
O4	C1	C5	C4	180.0°	179.7°
O4	C1	C5	H12	0.0°	0.3°
C16	N1	C1	C2	179.9°	179.9°
C16	N1	C1	C5	180.0°	180.0°
C16	N1	C2	C3	179.9°	180.0°
N1	C16	H4	H5	120.0°	120.0°
N1	C16	H4	H6	120.0°	120.0°
N1	C16	H5	H6	120.0°	120.0°
C16	N1	C2	H10	0.1°	0.1°
N1	C1	C5	C4	0.1°	0.0°
C1	N1	C2	C3	0.0°	0.0°
C1	N1	C16	H4	180.0°	90.0°
C1	N1	C16	H5	60.0°	150.0°
C1	N1	C16	H6	60.0°	30.0°
C1	N1	C2	H10	180.0°	180.0°
N1	C1	C5	H12	179.9°	180.0°
C5	C1	N1	C2	0.1°	0.0°
C1	C5	C4	H12	180.0°	180.0°
C1	C5	C4	C3	0.0°	0.0°
C1	C5	C4	N2	179.6°	180.0°
N1	C2	C3	H10	180.0°	180.0°
N1	C2	C3	C4	0.1°	0.0°
C2	N1	C16	H4	0.1°	89.9°
C2	N1	C16	H5	120.1°	30.1°
C2	N1	C16	H6	119.9°	150.0°
N1	C2	C3	H11	179.9°	179.9°
N3	C7	H13	H14	119.9°	120.0°
C7	N3	C8	H15	20.2°	90.1°
C7	N3	C8	H16	99.8°	150.0°
C7	N3	C8	H17	140.3°	30.0°
C5	C4	C3	C2	0.1°	0.0°
C5	C4	C3	N2	179.6°	180.0°
C5	C4	C3	H11	179.9°	179.9°
C5	C4	N2	H18	168.4°	57.1°
C2	C3	C4	H11	180.0°	179.9°
C2	C3	C4	N2	179.7°	180.0°
C4	C3	C2	H10	179.9°	180.0°
C3	C4	C5	H12	180.0°	180.0°
C3	C4	N2	H18	12.0°	122.9°
N2	C4	C3	H11	0.3°	0.1°
N2	C4	C5	H12	0.4°	0.1°
C13	C12	C11	H1	179.8°	180.0°
C13	C12	C17	H7	89.9°	90.0°
C13	C12	C17	H8	30.0°	29.9°
C13	C12	C17	H9	150.1°	150.0°
C8	N3	C7	H13	37.2°	35.0°
C8	N3	C7	H14	157.1°	155.0°
N3	C8	H15	H16	120.0°	120.0°
N3	C8	H15	H17	120.0°	120.1°
N3	C8	H16	H17	120.0°	120.1°
C17	C12	C11	H1	0.1°	0.0°
C17	C12	C13	H2	0.1°	0.1°
C12	C17	H7	H8	120.0°	120.0°
C12	C17	H7	H9	120.0°	120.0°
C12	C17	H8	H9	120.0°	120.1°
H4	C16	H5	H6	120.0°	120.0°
H7	C17	H8	H9	120.0°	120.0°
H10	C2	C3	H11	0.1°	0.1°
H15	C8	H16	H17	120.0°	120.0°

Release date:	2021-01-27
Definition date:	2020-11-04
Last modified:	2021-01-22
Release status:	REL
Processing site:	RCSB
Derived from:	7KMY