LH7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	S1	doub	1.42Å	1.44Å
S1	O2	doub	1.42Å	1.44Å
S1	C7	sing	1.83Å	1.75Å
S1	C8	sing	1.83Å	1.77Å
C7	C6	sing	1.54Å	1.51Å
C8	C5	sing	1.55Å	1.54Å
C6	C5	sing	1.54Å	1.54Å
C5	N2	sing	1.47Å	1.48Å
N1	N2	sing	1.40Å	1.37Å	Aromatic
N1	C4	doub	1.30Å	1.32Å	Aromatic
N2	C2	sing	1.34Å	1.40Å	Aromatic
C4	C3	sing	1.41Å	1.39Å	Aromatic
C2	C1	sing	1.51Å	1.49Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
C3	C9	sing	1.47Å	1.46Å
N3	C9	sing	1.35Å	1.34Å
N3	C10	sing	1.47Å	1.46Å
C9	O3	doub	1.22Å	1.24Å
C10	C11	sing	1.51Å	1.51Å
C11	C12	doub	1.38Å	1.38Å	Aromatic
C11	C16	sing	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.37Å	Aromatic
C15	C14	sing	1.38Å	1.36Å	Aromatic
C14	F1	sing	1.35Å	1.36Å
N3	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
C1	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.08Å	1.08Å
C16	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	S1	O2	117.3°	119.9°
O1	S1	C7	110.2°	109.3°
O1	S1	C8	110.4°	109.4°
O2	S1	C7	110.4°	109.3°
O2	S1	C8	110.1°	109.5°
C7	S1	C8	96.5°	97.0°
S1	C7	C6	104.2°	105.1°
S1	C7	H6	110.8°	110.3°
S1	C7	H7	110.8°	110.4°
S1	C8	C5	105.2°	102.6°
S1	C8	H8	110.5°	110.8°
S1	C8	H9	110.6°	111.0°
C7	C6	C5	105.3°	108.7°
C7	C6	H4	110.5°	109.6°
C7	C6	H5	110.5°	109.5°
C6	C7	H6	110.8°	110.3°
C6	C7	H7	110.8°	110.4°
C8	C5	C6	101.7°	106.7°
C8	C5	N2	110.5°	110.0°
C8	C5	H3	108.2°	110.1°
C5	C8	H8	110.5°	110.8°
C5	C8	H9	110.5°	110.7°
C6	C5	N2	118.6°	110.0°
C6	C5	H3	108.2°	110.0°
C5	C6	H4	110.5°	109.7°
C5	C6	H5	110.5°	109.7°
C5	N2	N1	118.0°	125.8°
C5	N2	C2	132.1°	125.8°
N2	C5	H3	109.0°	110.0°
N2	N1	C4	105.8°	108.9°
N1	N2	C2	109.9°	108.4°
N1	C4	C3	113.0°	108.0°
N1	C4	H2	123.5°	126.0°
N2	C2	C1	124.2°	126.3°
N2	C2	C3	106.2°	107.4°
C4	C3	C2	105.0°	107.2°
C4	C3	C9	125.1°	126.4°
C3	C4	H2	123.5°	126.0°
C1	C2	C3	129.5°	126.3°
C2	C1	H14	109.5°	109.5°
C2	C1	H15	109.5°	109.4°
C2	C1	H16	109.5°	109.5°
C2	C3	C9	129.8°	126.4°
C3	C9	N3	113.7°	120.0°
C3	C9	O3	122.4°	120.0°
C9	N3	C10	123.0°	120.0°
N3	C9	O3	123.8°	120.0°
C9	N3	H1	118.5°	120.0°
N3	C10	C11	114.2°	109.5°
C10	N3	H1	118.5°	120.0°
N3	C10	H10	108.3°	109.5°
N3	C10	H11	108.3°	109.5°
C10	C11	C12	120.5°	120.0°
C10	C11	C16	121.1°	120.0°
C11	C10	H10	108.3°	109.5°
C11	C10	H11	108.3°	109.4°
C12	C11	C16	118.4°	120.1°
C11	C12	C13	121.0°	120.0°
C11	C12	H17	119.5°	120.0°
C11	C16	C15	121.4°	120.0°
C11	C16	H18	119.3°	120.0°
C12	C13	C14	118.5°	120.0°
C12	C13	H12	120.8°	120.0°
C13	C12	H17	119.5°	120.0°
C16	C15	C14	118.0°	120.0°
C16	C15	H13	121.0°	120.1°
C15	C16	H18	119.3°	120.0°
C13	C14	C15	122.7°	119.9°
C13	C14	F1	118.6°	120.0°
C14	C13	H12	120.7°	120.0°
C15	C14	F1	118.7°	120.0°
C14	C15	H13	121.0°	119.9°
H4	C6	H5	109.5°	109.6°
H6	C7	H7	109.5°	110.3°
H8	C8	H9	109.5°	110.7°
H10	C10	H11	109.5°	109.5°
H14	C1	H15	109.5°	109.5°
H14	C1	H16	109.5°	109.5°
H15	C1	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	S1	O2	C7	127.3°	127.3°
O1	S1	O2	C8	127.3°	127.5°
O1	S1	C7	C8	114.5°	113.4°
O1	S1	C7	C6	98.5°	111.3°
O1	S1	C8	C5	129.7°	136.6°
O1	S1	C7	H6	20.6°	129.8°
O1	S1	C7	H7	142.3°	7.7°
O1	S1	C8	H8	111.0°	18.3°
O1	S1	C8	H9	10.4°	105.1°
O2	S1	C7	C8	114.3°	113.5°
O2	S1	C7	C6	130.4°	115.6°
O2	S1	C8	C5	99.2°	90.2°
O2	S1	C7	H6	110.5°	3.3°
O2	S1	C7	H7	11.2°	125.4°
O2	S1	C8	H8	20.1°	151.5°
O2	S1	C8	H9	141.5°	28.1°
S1	C7	C6	H6	119.2°	118.9°
S1	C7	C6	H7	119.2°	119.0°
C7	S1	C8	C5	15.4°	23.2°
S1	C7	C6	C5	43.3°	27.9°
S1	C7	C6	H4	76.0°	147.8°
S1	C7	C6	H5	162.6°	91.9°
S1	C7	H6	H7	122.5°	122.2°
C7	S1	C8	H8	134.7°	95.1°
C7	S1	C8	H9	103.9°	141.5°
C8	S1	C7	C6	16.0°	2.1°
S1	C8	C5	H8	119.3°	118.3°
S1	C8	C5	H9	119.3°	118.5°
S1	C8	C5	C6	41.1°	42.4°
S1	C8	C5	N2	168.0°	161.7°
S1	C8	C5	H3	72.7°	76.9°
C8	S1	C7	H6	135.2°	116.8°
C8	S1	C7	H7	103.1°	121.1°
S1	C8	H8	H9	122.0°	123.6°
C7	C6	C5	C8	54.8°	47.2°
C7	C6	C5	H4	119.4°	119.9°
C7	C6	C5	H5	119.3°	119.7°
C7	C6	C5	N2	176.2°	166.4°
C7	C6	C5	H3	59.0°	72.2°
C7	C6	H4	H5	121.9°	120.2°
C6	C7	H6	H7	122.4°	122.2°
C8	C5	C6	N2	121.4°	119.3°
C8	C5	C6	H3	113.8°	119.4°
C8	C5	N2	H3	118.8°	121.5°
C8	C5	N2	N1	26.4°	57.9°
C8	C5	N2	C2	154.5°	122.2°
C8	C5	C6	H4	64.5°	167.0°
C8	C5	C6	H5	174.2°	72.5°
C5	C8	H8	H9	122.0°	123.3°
C6	C5	N2	H3	124.4°	121.3°
C6	C5	N2	N1	143.2°	59.3°
C6	C5	N2	C2	37.8°	120.6°
C5	C6	H4	H5	121.9°	120.5°
C5	C6	C7	H6	162.5°	91.0°
C5	C6	C7	H7	75.8°	146.9°
C6	C5	C8	H8	160.4°	75.9°
C6	C5	C8	H9	78.2°	160.9°
C5	N2	N1	C2	179.2°	180.0°
C5	N2	N1	C4	179.5°	180.0°
C5	N2	C2	C1	0.9°	0.0°
C5	N2	C2	C3	179.3°	180.0°
N2	C5	C6	H4	56.8°	73.7°
N2	C5	C6	H5	64.5°	46.8°
N2	C5	C8	H8	72.7°	43.4°
N2	C5	C8	H9	48.7°	79.9°
N2	N1	C4	C3	0.1°	0.0°
N1	N2	C2	C1	180.0°	180.0°
N1	N2	C2	C3	0.2°	0.0°
N2	N1	C4	H2	179.9°	180.0°
N1	N2	C5	H3	92.3°	179.3°
C4	N1	N2	C2	0.2°	0.0°
N1	C4	C3	H2	180.0°	180.0°
N1	C4	C3	C2	0.0°	0.0°
N1	C4	C3	C9	178.6°	180.0°
N2	C2	C3	C4	0.2°	0.0°
N2	C2	C1	C3	179.7°	180.0°
N2	C2	C3	C9	178.3°	180.0°
C2	N2	C5	H3	86.7°	0.7°
N2	C2	C1	H14	90.1°	90.0°
N2	C2	C1	H15	149.9°	30.0°
N2	C2	C1	H16	29.9°	150.0°
C4	C3	C2	C1	179.9°	180.0°
C4	C3	C2	C9	178.5°	180.0°
C4	C3	C9	N3	23.4°	0.0°
C4	C3	C9	O3	154.1°	180.0°
C1	C2	C3	C9	1.4°	0.0°
C2	C1	H14	H15	120.0°	120.0°
C2	C1	H14	H16	120.0°	120.0°
C2	C1	H15	H16	120.0°	120.0°
C2	C3	C9	N3	154.8°	179.9°
C2	C3	C9	O3	27.7°	0.0°
C2	C3	C4	H2	180.0°	180.0°
C3	C2	C1	H14	90.2°	90.1°
C3	C2	C1	H15	29.8°	150.0°
C3	C2	C1	H16	149.8°	30.0°
C3	C9	N3	O3	177.5°	180.0°
C3	C9	N3	C10	104.0°	180.0°
C3	C9	N3	H1	76.0°	0.0°
C9	C3	C4	H2	1.4°	0.0°
C9	N3	C10	H1	180.0°	180.0°
C9	N3	C10	C11	31.6°	180.0°
C9	N3	C10	H10	89.1°	60.0°
C9	N3	C10	H11	152.2°	60.0°
C10	N3	C9	O3	73.5°	0.0°
N3	C10	C11	H10	120.7°	120.0°
N3	C10	C11	H11	120.7°	120.0°
N3	C10	C11	C12	61.6°	90.0°
N3	C10	C11	C16	119.3°	90.6°
N3	C10	H10	H11	117.9°	120.0°
O3	C9	N3	H1	106.5°	180.0°
C10	C11	C12	C16	179.2°	179.4°
C10	C11	C12	C13	179.3°	180.0°
C10	C11	C16	C15	180.0°	179.7°
C11	C10	N3	H1	148.4°	0.0°
C11	C10	H10	H11	117.9°	120.0°
C10	C11	C12	H17	0.7°	0.0°
C10	C11	C16	H18	0.0°	0.0°
C11	C12	C13	H17	180.0°	180.0°
C12	C11	C16	C15	0.9°	0.9°
C11	C12	C13	C14	1.8°	0.0°
C12	C11	C10	H10	177.7°	30.0°
C12	C11	C10	H11	59.1°	150.0°
C11	C12	C13	H12	178.2°	179.8°
C12	C11	C16	H18	179.1°	179.4°
C16	C11	C12	C13	1.5°	0.6°
C11	C16	C15	H18	180.0°	179.7°
C11	C16	C15	C14	0.4°	0.5°
C16	C11	C10	H10	1.4°	149.4°
C16	C11	C10	H11	120.1°	29.4°
C11	C16	C15	H13	179.5°	179.4°
C16	C11	C12	H17	178.5°	179.4°
C12	C13	C14	H12	180.0°	179.8°
C12	C13	C14	C15	1.4°	0.3°
C12	C13	C14	F1	179.3°	179.8°
C16	C15	C14	C13	0.7°	0.1°
C16	C15	C14	H13	180.0°	179.9°
C16	C15	C14	F1	179.9°	180.0°
C13	C14	C15	F1	179.4°	179.9°
C13	C14	C15	H13	179.3°	180.0°
C14	C13	C12	H17	178.2°	180.0°
C15	C14	C13	H12	178.7°	179.9°
C14	C15	C16	H18	179.6°	179.8°
F1	C14	C13	H12	0.7°	0.0°
F1	C14	C15	H13	0.1°	0.1°
H1	N3	C10	H10	90.9°	120.0°
H1	N3	C10	H11	27.8°	120.0°
H3	C5	C6	H4	178.3°	47.6°
H3	C5	C6	H5	60.3°	168.1°
H3	C5	C8	H8	46.6°	164.8°
H3	C5	C8	H9	167.9°	41.5°
H4	C6	C7	H6	43.1°	28.9°
H4	C6	C7	H7	164.8°	93.2°
H5	C6	C7	H6	78.2°	149.2°
H5	C6	C7	H7	43.5°	27.1°
H12	C13	C12	H17	1.7°	0.2°
H13	C15	C16	H18	0.4°	0.3°
H14	C1	H15	H16	120.0°	120.0°

Release date:	2019-05-08
Definition date:	2019-02-22
Last modified:	2019-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	5QP4