4EQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	S	sing	1.66Å	1.43Å
S	O4	sing	1.66Å	1.43Å
S	C12	sing	1.81Å	1.76Å
S	N3	sing	1.75Å	1.61Å
C12	C16	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.39Å	1.39Å	Aromatic
C16	N4	sing	1.32Å	1.34Å	Aromatic
N4	C15	doub	1.32Å	1.34Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C14	C13	doub	1.39Å	1.39Å	Aromatic
N3	C11	sing	1.47Å	1.48Å
C11	C10	sing	1.51Å	1.51Å
C10	C9	doub	1.38Å	1.39Å	Aromatic
C10	C17	sing	1.38Å	1.40Å	Aromatic
C9	C8	sing	1.39Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.39Å	1.39Å	Aromatic
C19	C8	doub	1.40Å	1.39Å	Aromatic
C19	N1	sing	1.39Å	1.39Å
C8	N2	sing	1.39Å	1.38Å
N2	C7	sing	1.35Å	1.36Å
C7	O3	doub	1.22Å	1.23Å
C7	N1	sing	1.35Å	1.42Å
N1	C4	sing	1.40Å	1.44Å
C4	C5	doub	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.39Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C6	CL	sing	1.74Å	1.74Å
C6	C1	doub	1.39Å	1.40Å	Aromatic
C3	O2	sing	1.36Å	1.36Å
C3	C2	doub	1.38Å	1.38Å	Aromatic
C2	C1	sing	1.39Å	1.39Å	Aromatic
C1	O1	sing	1.36Å	1.35Å
O5	H16	sing	0.97Å	0.95Å
O4	H17	sing	0.97Å	0.95Å
C16	H13	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
N3	H9	sing	1.01Å	1.00Å
C11	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C9	H6	sing	1.08Å	1.08Å
C17	H14	sing	1.08Å	1.08Å
C18	H15	sing	1.08Å	1.08Å
N2	H5	sing	0.97Å	1.00Å
C5	H4	sing	1.08Å	1.08Å
O2	H3	sing	0.97Å	0.95Å
C2	H2	sing	1.08Å	1.08Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	S	O4	119.8°	180.0°
O5	S	C12	107.6°	90.0°
O5	S	N3	106.9°	90.0°
S	O5	H16	109.5°	114.0°
O4	S	C12	108.2°	90.0°
O4	S	N3	106.6°	90.0°
S	O4	H17	109.5°	114.0°
C12	S	N3	107.1°	120.0°
S	C12	C16	122.9°	120.4°
S	C12	C13	119.3°	120.4°
S	N3	C11	121.2°	111.0°
S	N3	H9	106.4°	111.0°
C16	C12	C13	117.8°	119.2°
C12	C16	N4	124.3°	120.7°
C12	C16	H13	117.9°	119.6°
C12	C13	C14	118.9°	118.4°
C12	C13	H10	120.6°	120.8°
C16	N4	C15	117.0°	121.8°
N4	C16	H13	117.8°	119.6°
N4	C15	C14	123.2°	120.8°
N4	C15	H12	118.4°	119.6°
C15	C14	C13	118.8°	119.1°
C14	C15	H12	118.4°	119.6°
C15	C14	H11	120.6°	120.4°
C13	C14	H11	120.6°	120.4°
C14	C13	H10	120.6°	120.8°
N3	C11	C10	112.7°	109.4°
C11	N3	H9	106.5°	111.0°
N3	C11	H7	108.6°	109.5°
N3	C11	H8	108.6°	109.5°
C11	C10	C9	119.3°	119.9°
C11	C10	C17	121.3°	119.8°
C10	C11	H7	108.7°	109.5°
C10	C11	H8	108.7°	109.5°
C9	C10	C17	118.9°	120.3°
C10	C9	C8	121.0°	119.8°
C10	C9	H6	119.5°	120.1°
C10	C17	C18	121.3°	120.3°
C10	C17	H14	119.3°	119.8°
C9	C8	C19	118.7°	119.9°
C9	C8	N2	133.6°	133.3°
C8	C9	H6	119.5°	120.1°
C17	C18	C19	118.5°	119.8°
C18	C17	H14	119.4°	119.9°
C17	C18	H15	120.8°	120.1°
C18	C19	C8	121.5°	119.9°
C18	C19	N1	131.3°	133.3°
C19	C18	H15	120.8°	120.1°
C8	C19	N1	107.2°	106.8°
C19	C8	N2	107.7°	106.8°
C19	N1	C7	108.4°	108.3°
C19	N1	C4	126.5°	125.8°
C8	N2	C7	110.3°	108.3°
C8	N2	H5	124.8°	125.8°
N2	C7	O3	127.5°	125.2°
N2	C7	N1	106.4°	109.7°
C7	N2	H5	124.9°	125.9°
O3	C7	N1	126.1°	125.1°
C7	N1	C4	125.1°	125.9°
N1	C4	C5	117.2°	120.0°
N1	C4	C3	121.8°	120.1°
C5	C4	C3	121.0°	119.9°
C4	C5	C6	118.9°	120.1°
C4	C5	H4	120.6°	120.0°
C4	C3	O2	120.8°	120.1°
C4	C3	C2	119.2°	119.9°
C5	C6	CL	118.8°	120.0°
C5	C6	C1	121.4°	120.1°
C6	C5	H4	120.5°	120.0°
CL	C6	C1	119.5°	120.0°
C6	C1	C2	118.6°	120.0°
C6	C1	O1	119.7°	119.9°
O2	C3	C2	119.9°	120.0°
C3	O2	H3	109.5°	114.0°
C3	C2	C1	120.9°	120.0°
C3	C2	H2	119.6°	120.0°
C2	C1	O1	120.9°	120.0°
C1	C2	H2	119.6°	120.0°
C1	O1	H1	109.5°	114.0°
H7	C11	H8	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	S	O4	C12	123.8°	43.2°
O5	S	O4	N3	121.4°	76.8°
O5	S	C12	N3	114.6°	90.0°
O5	S	C12	C16	133.2°	89.9°
O5	S	C12	C13	46.4°	89.7°
O5	S	N3	C11	168.8°	90.0°
O5	S	O4	H17	180.0°	136.9°
O5	S	N3	H9	47.2°	34.0°
O4	S	C12	N3	114.6°	90.0°
O4	S	C12	C16	2.5°	90.0°
O4	S	C12	C13	177.2°	90.3°
O4	S	N3	C11	39.6°	90.0°
O4	S	O5	H16	180.0°	136.9°
O4	S	N3	H9	82.1°	146.0°
S	C12	C16	C13	179.7°	179.7°
S	C12	C16	N4	179.1°	180.0°
S	C12	C13	C14	180.0°	179.8°
C12	S	N3	C11	76.1°	180.0°
C12	S	O5	H16	56.0°	180.0°
C12	S	O4	H17	56.2°	180.0°
S	C12	C16	H13	0.9°	0.1°
S	C12	C13	H10	0.1°	0.0°
C12	S	N3	H9	162.3°	56.0°
N3	S	C12	C16	112.1°	0.0°
N3	S	C12	C13	68.2°	179.7°
S	N3	C11	H9	121.6°	124.0°
S	N3	C11	C10	178.3°	165.0°
N3	S	O5	H16	58.8°	60.0°
N3	S	O4	H17	58.7°	60.0°
S	N3	C11	H7	57.8°	75.0°
S	N3	C11	H8	61.2°	45.0°
C12	C16	N4	H13	180.0°	179.9°
C12	C16	N4	C15	0.8°	0.1°
C16	C12	C13	C14	0.3°	0.5°
C16	C12	C13	H10	179.8°	179.7°
C13	C12	C16	N4	0.6°	0.3°
C12	C13	C14	C15	0.8°	0.4°
C12	C13	C14	H10	180.0°	179.8°
C13	C12	C16	H13	179.4°	179.8°
C12	C13	C14	H11	179.1°	179.8°
C16	N4	C15	C14	0.1°	0.0°
C16	N4	C15	H12	179.9°	180.0°
N4	C15	C14	H12	180.0°	180.0°
N4	C15	C14	C13	0.7°	0.2°
C15	N4	C16	H13	179.2°	180.0°
N4	C15	C14	H11	179.3°	180.0°
C15	C14	C13	H11	180.0°	179.8°
C15	C14	C13	H10	179.2°	179.7°
C13	C14	C15	H12	179.3°	179.8°
N3	C11	C10	H7	120.5°	120.0°
N3	C11	C10	H8	120.5°	120.0°
N3	C11	C10	C9	44.8°	90.0°
N3	C11	C10	C17	126.4°	90.3°
N3	C11	H7	H8	118.5°	120.0°
C11	C10	C9	C17	171.4°	179.6°
C11	C10	C9	C8	167.4°	180.0°
C11	C10	C17	C18	168.0°	180.0°
C10	C11	N3	H9	60.1°	41.1°
C10	C11	H7	H8	118.5°	120.0°
C11	C10	C9	H6	12.6°	0.1°
C11	C10	C17	H14	12.0°	0.1°
C10	C9	C8	H6	180.0°	180.0°
C9	C10	C17	C18	3.2°	0.4°
C10	C9	C8	C19	2.1°	0.0°
C10	C9	C8	N2	175.8°	179.9°
C9	C10	C11	H7	165.2°	29.9°
C9	C10	C11	H8	75.7°	149.9°
C9	C10	C17	H14	176.8°	179.7°
C17	C10	C9	C8	4.0°	0.4°
C10	C17	C18	H14	180.0°	179.9°
C10	C17	C18	C19	0.5°	0.1°
C17	C10	C11	H7	5.9°	149.7°
C17	C10	C11	H8	113.1°	29.7°
C17	C10	C9	H6	176.0°	179.7°
C10	C17	C18	H15	179.5°	180.0°
C9	C8	C19	C18	0.7°	0.3°
C9	C8	C19	N2	178.4°	180.0°
C9	C8	C19	N1	178.7°	179.9°
C9	C8	N2	C7	178.3°	180.0°
C9	C8	N2	H5	1.7°	0.1°
C17	C18	C19	H15	180.0°	180.0°
C17	C18	C19	C8	1.5°	0.3°
C17	C18	C19	N1	177.8°	180.0°
C18	C19	C8	N1	179.4°	179.8°
C18	C19	C8	N2	179.1°	179.8°
C18	C19	N1	C7	179.1°	179.6°
C18	C19	N1	C4	0.3°	0.1°
C19	C18	C17	H14	179.5°	180.0°
C19	C8	N2	C7	0.2°	0.0°
C8	C19	N1	C7	0.3°	0.1°
C8	C19	N1	C4	179.7°	179.7°
C19	C8	C9	H6	178.0°	180.0°
C8	C19	C18	H15	178.5°	179.7°
C19	C8	N2	H5	179.8°	179.9°
N1	C19	C8	N2	0.3°	0.1°
C19	N1	C7	N2	0.2°	0.2°
C19	N1	C7	O3	179.9°	179.9°
C19	N1	C7	C4	179.4°	179.5°
C19	N1	C4	C5	65.3°	90.1°
C19	N1	C4	C3	112.8°	90.2°
N1	C19	C18	H15	2.2°	0.0°
C8	N2	C7	H5	180.0°	179.9°
C8	N2	C7	O3	179.9°	180.0°
C8	N2	C7	N1	0.0°	0.1°
N2	C8	C9	H6	4.2°	0.0°
N2	C7	O3	N1	179.9°	179.9°
N2	C7	N1	C4	179.5°	179.7°
O3	C7	N1	C4	0.5°	0.4°
O3	C7	N2	H5	0.1°	0.0°
C7	N1	C4	C5	114.0°	90.5°
C7	N1	C4	C3	67.9°	89.3°
N1	C7	N2	H5	179.9°	180.0°
N1	C4	C5	C3	178.1°	179.7°
N1	C4	C5	C6	177.5°	180.0°
N1	C4	C3	O2	0.6°	0.0°
N1	C4	C3	C2	176.6°	180.0°
N1	C4	C5	H4	2.5°	0.0°
C4	C5	C6	H4	180.0°	180.0°
C4	C5	C6	CL	172.9°	180.0°
C4	C5	C6	C1	1.2°	0.0°
C5	C4	C3	O2	177.5°	179.8°
C5	C4	C3	C2	1.5°	0.3°
C3	C4	C5	C6	0.6°	0.3°
C4	C3	O2	C2	176.0°	180.0°
C4	C3	C2	C1	0.6°	0.0°
C3	C4	C5	H4	179.4°	179.8°
C4	C3	O2	H3	180.0°	90.0°
C4	C3	C2	H2	179.4°	179.9°
C5	C6	CL	C1	174.2°	179.9°
C5	C6	C1	C2	2.0°	0.3°
C5	C6	C1	O1	167.9°	180.0°
CL	C6	C1	C2	172.0°	179.7°
CL	C6	C1	O1	18.0°	0.0°
CL	C6	C5	H4	7.1°	0.1°
C6	C1	C2	C3	1.1°	0.3°
C6	C1	C2	O1	169.8°	179.7°
C1	C6	C5	H4	178.8°	180.0°
C6	C1	C2	H2	178.9°	179.7°
C6	C1	O1	H1	180.0°	90.1°
O2	C3	C2	C1	176.6°	180.0°
O2	C3	C2	H2	3.4°	0.1°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	O1	168.7°	180.0°
C2	C3	O2	H3	4.0°	90.0°
C2	C1	O1	H1	10.2°	89.7°
O1	C1	C2	H2	11.3°	0.0°
H12	C15	C14	H11	0.7°	0.0°
H11	C14	C13	H10	0.9°	0.1°
H9	N3	C11	H7	179.5°	161.0°
H9	N3	C11	H8	60.4°	79.0°
H14	C17	C18	H15	0.5°	0.1°

Release date:	2016-03-09
Definition date:	2015-03-11
Last modified:	2016-03-04
Release status:	REL
Processing site:	RCSB
Derived from:	4YKT