M57

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.38Å	1.34Å
N1	C	doub	1.32Å	1.33Å	Aromatic
N1	C1	sing	1.34Å	1.37Å	Aromatic
C	N5	sing	1.36Å	1.37Å	Aromatic
O2	C8	doub	1.21Å	1.22Å
C1	N2	sing	1.39Å	1.36Å
C1	N4	doub	1.31Å	1.31Å	Aromatic
N5	C8	sing	1.35Å	1.39Å
N5	N4	sing	1.40Å	1.37Å	Aromatic
N2	C2	sing	1.40Å	1.42Å
C18	C17	doub	1.38Å	1.38Å	Aromatic
C18	C9	sing	1.39Å	1.39Å	Aromatic
C8	N6	sing	1.35Å	1.35Å
C17	C12	sing	1.40Å	1.39Å	Aromatic
C7	C2	doub	1.39Å	1.39Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.39Å	1.40Å	Aromatic
N6	C9	sing	1.40Å	1.40Å
C6	C5	doub	1.38Å	1.38Å	Aromatic
O5	C16	sing	1.34Å	1.37Å	Aromatic
O5	C13	sing	1.34Å	1.35Å	Aromatic
C9	C10	doub	1.39Å	1.39Å	Aromatic
C16	C14	doub	1.36Å	1.35Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.48Å	1.45Å
C12	C11	doub	1.40Å	1.40Å	Aromatic
C13	N7	doub	1.31Å	1.29Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
C5	S	sing	1.76Å	1.77Å
O	S	doub	1.42Å	1.44Å
C14	N7	sing	1.36Å	1.38Å	Aromatic
C14	C15	sing	1.47Å	1.47Å
C10	C11	sing	1.38Å	1.38Å	Aromatic
S	O1	doub	1.42Å	1.43Å
S	N3	sing	1.66Å	1.59Å
C15	O4	doub	1.22Å	1.31Å
C15	O3	sing	1.35Å	1.22Å
O3	H1	sing	0.97Å	0.95Å
C4	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
N2	H5	sing	0.97Å	1.00Å
C10	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
N3	H8	sing	0.97Å	1.00Å
N3	H9	sing	0.97Å	1.00Å
N	H10	sing	0.97Å	1.00Å
N	H11	sing	0.97Å	1.00Å
C16	H12	sing	1.08Å	1.08Å
C17	H13	sing	1.08Å	1.08Å
C18	H14	sing	1.08Å	1.08Å
C3	H15	sing	1.08Å	1.08Å
N6	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	N1	128.9°	126.1°
N	C	N5	122.9°	126.2°
C	N	H10	109.5°	120.0°
C	N	H11	109.4°	120.0°
C	N1	C1	102.8°	109.7°
N1	C	N5	108.2°	107.7°
N1	C1	N2	119.7°	125.4°
N1	C1	N4	117.0°	109.3°
C	N5	C8	128.2°	126.8°
C	N5	N4	111.7°	106.3°
O2	C8	N5	119.2°	120.0°
O2	C8	N6	126.3°	120.0°
N2	C1	N4	123.3°	125.4°
C1	N2	C2	131.6°	120.0°
C1	N2	H5	114.2°	120.0°
C1	N4	N5	100.3°	107.0°
C8	N5	N4	120.2°	126.8°
N5	C8	N6	114.5°	120.0°
N2	C2	C7	119.2°	120.1°
N2	C2	C3	121.4°	120.1°
C2	N2	H5	114.2°	120.0°
C17	C18	C9	119.8°	120.1°
C18	C17	C12	120.1°	119.9°
C18	C17	H13	119.9°	120.0°
C17	C18	H14	120.1°	119.9°
C18	C9	N6	115.8°	119.9°
C18	C9	C10	120.6°	120.2°
C9	C18	H14	120.1°	120.0°
C8	N6	C9	121.7°	120.0°
C8	N6	H16	119.1°	120.0°
C17	C12	C13	119.0°	120.1°
C17	C12	C11	120.1°	119.9°
C12	C17	H13	119.9°	120.1°
C2	C7	C6	120.3°	119.9°
C7	C2	C3	119.4°	119.9°
C2	C7	H4	119.9°	120.0°
C7	C6	C5	119.7°	120.1°
C7	C6	H3	120.1°	119.9°
C6	C7	H4	119.8°	120.1°
C2	C3	C4	120.2°	119.9°
C2	C3	H15	119.9°	120.1°
N6	C9	C10	123.6°	119.9°
C9	N6	H16	119.1°	120.0°
C6	C5	C4	120.9°	120.2°
C6	C5	S	120.3°	119.9°
C5	C6	H3	120.2°	120.0°
C16	O5	C13	104.1°	108.2°
O5	C16	C14	107.5°	107.1°
O5	C16	H12	126.3°	126.4°
O5	C13	C12	117.9°	125.5°
O5	C13	N7	114.5°	109.0°
C9	C10	C11	119.6°	120.0°
C9	C10	H6	120.2°	120.0°
C16	C14	N7	109.5°	107.3°
C16	C14	C15	130.6°	126.3°
C14	C16	H12	126.3°	126.5°
C3	C4	C5	119.5°	120.1°
C3	C4	H2	120.2°	120.0°
C4	C3	H15	119.9°	120.0°
C13	C12	C11	120.9°	120.1°
C12	C13	N7	127.6°	125.4°
C12	C11	C10	119.7°	119.9°
C12	C11	H7	120.2°	120.0°
C13	N7	C14	104.4°	108.4°
C4	C5	S	118.8°	119.9°
C5	C4	H2	120.2°	120.0°
C5	S	O	105.9°	106.4°
C5	S	O1	110.7°	106.4°
C5	S	N3	105.6°	107.2°
O	S	O1	118.0°	123.2°
O	S	N3	108.7°	106.4°
N7	C14	C15	119.8°	126.4°
C14	C15	O4	112.6°	120.0°
C14	C15	O3	122.9°	120.0°
C11	C10	H6	120.2°	120.0°
C10	C11	H7	120.2°	120.0°
O1	S	N3	107.2°	106.4°
S	N3	H8	109.5°	120.0°
S	N3	H9	109.4°	120.0°
O4	C15	O3	124.5°	120.0°
C15	O3	H1	109.5°	117.0°
H8	N3	H9	109.5°	120.0°
H10	N	H11	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	N1	N5	179.9°	179.9°
N	C	N1	C1	179.9°	179.9°
N	C	N5	C8	0.8°	0.0°
N	C	N5	N4	179.8°	180.0°
C	N	H10	H11	120.0°	179.9°
C	N1	C1	N2	180.0°	180.0°
C	N1	C1	N4	0.0°	0.0°
N1	C	N5	C8	179.1°	180.0°
N1	C	N5	N4	0.3°	0.0°
N1	C	N	H10	0.0°	0.0°
N1	C	N	H11	120.0°	179.9°
C1	N1	C	N5	0.2°	0.0°
N1	C1	N2	N4	180.0°	179.9°
N1	C1	N4	N5	0.1°	0.0°
N1	C1	N2	C2	179.1°	5.2°
N1	C1	N2	H5	0.9°	174.7°
C	N5	C8	O2	0.4°	0.0°
C	N5	N4	C1	0.2°	0.0°
C	N5	C8	N4	179.3°	180.0°
C	N5	C8	N6	179.7°	180.0°
N5	C	N	H10	179.9°	179.9°
N5	C	N	H11	60.1°	0.0°
O2	C8	N5	N6	179.3°	180.0°
O2	C8	N5	N4	179.7°	180.0°
O2	C8	N6	C9	1.8°	5.6°
O2	C8	N6	H16	178.1°	174.4°
N2	C1	N4	N5	179.9°	180.0°
C1	N2	C2	H5	180.0°	180.0°
C1	N2	C2	C7	160.4°	34.0°
C1	N2	C2	C3	19.3°	145.6°
C1	N4	N5	C8	179.2°	180.0°
N4	C1	N2	C2	0.9°	174.7°
N4	C1	N2	H5	179.1°	5.3°
N5	C8	N6	C9	178.9°	174.4°
N5	C8	N6	H16	1.1°	5.6°
N4	N5	C8	N6	1.0°	0.0°
N2	C2	C7	C3	179.7°	179.6°
N2	C2	C7	C6	179.9°	180.0°
N2	C2	C3	C4	179.8°	179.8°
N2	C2	C7	H4	0.1°	0.3°
N2	C2	C3	H15	0.2°	0.3°
C17	C18	C9	H14	180.0°	179.9°
C18	C17	C12	H13	180.0°	179.9°
C17	C18	C9	N6	180.0°	179.7°
C17	C18	C9	C10	0.1°	0.1°
C18	C17	C12	C13	179.9°	179.9°
C18	C17	C12	C11	0.6°	0.0°
C18	C9	N6	C8	77.2°	34.9°
C9	C18	C17	C12	0.4°	0.1°
C18	C9	N6	C10	179.8°	179.8°
C18	C9	C10	C11	0.1°	0.0°
C18	C9	C10	H6	179.9°	180.0°
C9	C18	C17	H13	179.6°	180.0°
C18	C9	N6	H16	102.8°	145.1°
C8	N6	C9	H16	180.0°	180.0°
C8	N6	C9	C10	102.6°	145.4°
C17	C12	C13	O5	24.8°	180.0°
C17	C12	C13	C11	179.5°	180.0°
C17	C12	C13	N7	155.3°	0.0°
C17	C12	C11	C10	0.6°	0.1°
C17	C12	C11	H7	179.4°	180.0°
C12	C17	C18	H14	179.6°	180.0°
C2	C7	C6	H4	180.0°	179.7°
C2	C7	C6	C5	0.1°	0.0°
C7	C2	C3	C4	0.5°	0.6°
C2	C7	C6	H3	179.9°	179.9°
C7	C2	N2	H5	19.6°	146.0°
C7	C2	C3	H15	179.4°	180.0°
C6	C7	C2	C3	0.5°	0.3°
C7	C6	C5	H3	180.0°	180.0°
C7	C6	C5	C4	0.2°	0.0°
C7	C6	C5	S	179.8°	180.0°
C2	C3	C4	H15	180.0°	179.4°
C2	C3	C4	C5	0.2°	0.6°
C2	C3	C4	H2	179.8°	179.7°
C3	C2	C7	H4	179.5°	180.0°
C3	C2	N2	H5	160.8°	34.4°
N6	C9	C10	C11	179.9°	179.8°
N6	C9	C10	H6	0.1°	0.3°
N6	C9	C18	H14	0.0°	0.2°
C6	C5	C4	C3	0.2°	0.3°
C6	C5	C4	S	179.6°	180.0°
C6	C5	S	O	104.5°	23.5°
C6	C5	S	O1	24.5°	156.5°
C6	C5	S	N3	140.3°	90.0°
C6	C5	C4	H2	179.8°	180.0°
C5	C6	C7	H4	179.9°	179.8°
O5	C16	C14	H12	180.0°	179.9°
C16	O5	C13	C12	179.9°	180.0°
C16	O5	C13	N7	0.0°	0.0°
O5	C16	C14	N7	0.0°	0.0°
O5	C16	C14	C15	178.6°	180.0°
C13	O5	C16	C14	0.0°	0.0°
O5	C13	C12	N7	179.9°	179.9°
O5	C13	C12	C11	154.7°	0.1°
O5	C13	N7	C14	0.0°	0.0°
C13	O5	C16	H12	180.0°	179.9°
C9	C10	C11	C12	0.3°	0.1°
C9	C10	C11	H6	180.0°	180.0°
C9	C10	C11	H7	179.7°	180.0°
C10	C9	C18	H14	179.8°	180.0°
C10	C9	N6	H16	77.4°	34.7°
C16	C14	N7	C13	0.0°	0.0°
C16	C14	N7	C15	178.8°	180.0°
C16	C14	C15	O4	31.3°	0.0°
C16	C14	C15	O3	149.9°	180.0°
C3	C4	C5	H2	180.0°	179.8°
C3	C4	C5	S	179.8°	179.7°
C12	C13	N7	C14	179.8°	180.0°
C13	C12	C11	C10	179.9°	180.0°
C13	C12	C11	H7	0.1°	0.1°
C13	C12	C17	H13	0.1°	0.0°
C11	C12	C13	N7	25.2°	180.0°
C12	C11	C10	H7	180.0°	179.9°
C12	C11	C10	H6	179.7°	180.0°
C11	C12	C17	H13	179.4°	179.9°
C13	N7	C14	C15	178.8°	180.0°
C4	C5	S	O	75.1°	156.5°
C4	C5	S	O1	155.9°	23.5°
C4	C5	S	N3	40.2°	90.0°
C4	C5	C6	H3	179.8°	180.0°
C5	C4	C3	H15	179.8°	180.0°
C5	S	O	O1	124.6°	123.0°
C5	S	O	N3	113.1°	114.1°
C5	S	O1	N3	114.7°	114.1°
S	C5	C4	H2	0.2°	0.0°
S	C5	C6	H3	0.2°	0.0°
C5	S	N3	H8	180.0°	150.0°
C5	S	N3	H9	60.0°	30.0°
O	S	O1	N3	123.1°	122.9°
O	S	N3	H8	66.7°	36.5°
O	S	N3	H9	53.3°	143.6°
N7	C14	C15	O4	147.3°	179.9°
N7	C14	C15	O3	31.6°	0.0°
N7	C14	C16	H12	180.0°	179.9°
C14	C15	O4	O3	178.8°	180.0°
C14	C15	O3	H1	178.7°	180.0°
C15	C14	C16	H12	1.3°	0.1°
O1	S	N3	H8	61.9°	96.5°
O1	S	N3	H9	178.1°	83.5°
S	N3	H8	H9	120.0°	179.9°
O4	C15	O3	H1	0.0°	0.0°
H2	C4	C3	H15	0.2°	0.2°
H3	C6	C7	H4	0.1°	0.2°
H6	C10	C11	H7	0.3°	0.0°
H13	C17	C18	H14	0.4°	0.1°

Release date:	2020-03-25
Definition date:	2019-03-25
Last modified:	2020-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	6OCC