LUY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C5	doub	1.38Å	1.39Å	Aromatic
C	C1	sing	1.38Å	1.36Å	Aromatic
C5	C4	sing	1.38Å	1.42Å	Aromatic
C1	C2	doub	1.38Å	1.36Å	Aromatic
C4	C3	doub	1.38Å	1.43Å	Aromatic
C2	C3	sing	1.38Å	1.39Å	Aromatic
C3	C6	sing	1.51Å	1.59Å
C6	C7	sing	1.53Å	1.55Å
C7	N	sing	1.47Å	1.45Å
N2	C14	sing	1.36Å	1.38Å	Aromatic
N2	C8	doub	1.31Å	1.33Å	Aromatic
N	C8	sing	1.38Å	1.41Å
C13	C14	doub	1.40Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.37Å	Aromatic
C14	C9	sing	1.41Å	1.43Å	Aromatic
C8	N1	sing	1.37Å	1.41Å	Aromatic
C12	C11	doub	1.39Å	1.41Å	Aromatic
N1	C9	sing	1.39Å	1.38Å	Aromatic
C9	C10	doub	1.39Å	1.40Å	Aromatic
C11	C10	sing	1.38Å	1.38Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
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
C10	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
N	H10	sing	0.97Å	1.00Å
C	H11	sing	1.08Å	1.08Å
C1	H12	sing	1.08Å	1.08Å
C11	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C2	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C	C1	119.2°	120.0°
C	C5	C4	121.0°	120.0°
C	C5	H3	119.5°	120.0°
C5	C	H11	120.4°	120.0°
C	C1	C2	121.6°	120.0°
C1	C	H11	120.4°	120.0°
C	C1	H12	119.2°	120.0°
C5	C4	C3	117.5°	120.0°
C5	C4	H2	121.2°	119.9°
C4	C5	H3	119.5°	120.0°
C1	C2	C3	121.6°	119.9°
C2	C1	H12	119.2°	120.0°
C1	C2	H15	119.2°	120.0°
C4	C3	C2	118.9°	120.1°
C4	C3	C6	124.9°	120.0°
C3	C4	H2	121.3°	120.1°
C2	C3	C6	116.0°	119.9°
C3	C2	H15	119.2°	120.0°
C3	C6	C7	104.8°	109.5°
C3	C6	H4	110.6°	109.5°
C3	C6	H5	110.6°	109.5°
C6	C7	N	111.2°	109.5°
C7	C6	H4	110.6°	109.5°
C7	C6	H5	110.6°	109.5°
C6	C7	H6	109.0°	109.5°
C6	C7	H7	109.0°	109.5°
C7	N	C8	122.0°	120.0°
N	C7	H6	109.0°	109.5°
N	C7	H7	109.0°	109.5°
C7	N	H10	106.3°	120.0°
C14	N2	C8	104.6°	109.6°
N2	C14	C13	128.5°	133.4°
N2	C14	C9	110.9°	107.2°
N2	C8	N	123.6°	125.0°
N2	C8	N1	113.3°	109.9°
N	C8	N1	123.1°	125.1°
C8	N	H10	106.3°	120.0°
C14	C13	C12	117.2°	119.8°
C13	C14	C9	120.5°	119.4°
C14	C13	H9	121.4°	120.1°
C13	C12	C11	122.4°	120.5°
C12	C13	H9	121.4°	120.1°
C13	C12	H14	118.8°	119.8°
C14	C9	N1	105.3°	106.1°
C14	C9	C10	122.2°	120.0°
C8	N1	C9	105.9°	107.2°
C8	N1	H1	127.0°	126.4°
C12	C11	C10	122.0°	120.5°
C12	C11	H13	119.0°	119.8°
C11	C12	H14	118.8°	119.7°
N1	C9	C10	132.5°	133.9°
C9	N1	H1	127.1°	126.4°
C9	C10	C11	115.6°	119.8°
C9	C10	H8	122.2°	120.1°
C11	C10	H8	122.2°	120.1°
C10	C11	H13	119.0°	119.7°
H4	C6	H5	109.5°	109.4°
H6	C7	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C	C1	H11	180.0°	180.0°
C	C5	C4	H3	180.0°	180.0°
C5	C	C1	C2	1.7°	0.0°
C	C5	C4	C3	2.8°	0.0°
C	C5	C4	H2	177.2°	179.7°
C5	C	C1	H12	178.3°	180.0°
C1	C	C5	C4	4.0°	0.0°
C	C1	C2	H12	180.0°	180.0°
C	C1	C2	C3	1.9°	0.0°
C1	C	C5	H3	176.0°	180.0°
C	C1	C2	H15	178.2°	180.0°
C5	C4	C3	H2	180.0°	179.7°
C5	C4	C3	C2	0.7°	0.0°
C5	C4	C3	C6	174.1°	179.7°
C4	C5	C	H11	176.0°	180.0°
C1	C2	C3	C4	3.1°	0.0°
C1	C2	C3	H15	180.0°	179.9°
C1	C2	C3	C6	172.2°	179.8°
C2	C1	C	H11	178.3°	180.0°
C4	C3	C2	C6	175.2°	179.7°
C4	C3	C6	C7	49.2°	90.0°
C3	C4	C5	H3	177.2°	180.0°
C4	C3	C6	H4	70.0°	30.0°
C4	C3	C6	H5	168.4°	150.0°
C4	C3	C2	H15	177.0°	180.0°
C2	C3	C6	C7	135.9°	90.3°
C2	C3	C4	H2	179.3°	179.7°
C2	C3	C6	H4	104.9°	149.7°
C2	C3	C6	H5	16.6°	29.7°
C3	C2	C1	H12	178.1°	179.9°
C3	C6	C7	H4	119.3°	120.0°
C3	C6	C7	H5	119.3°	120.0°
C3	C6	C7	N	172.0°	180.0°
C6	C3	C4	H2	5.9°	0.0°
C3	C6	H4	H5	122.2°	120.0°
C3	C6	C7	H6	67.8°	60.0°
C3	C6	C7	H7	51.7°	60.0°
C6	C3	C2	H15	7.8°	0.3°
C6	C7	N	H6	120.3°	120.0°
C6	C7	N	H7	120.3°	120.0°
C6	C7	N	C8	154.3°	180.0°
C7	C6	H4	H5	122.1°	120.0°
C6	C7	H6	H7	119.2°	120.0°
C6	C7	N	H10	32.5°	0.1°
C7	N	C8	N2	8.7°	179.9°
C7	N	C8	H10	121.7°	180.0°
C7	N	C8	N1	169.0°	0.0°
N	C7	C6	H4	52.7°	60.0°
N	C7	C6	H5	68.8°	60.0°
N	C7	H6	H7	119.2°	120.0°
C14	N2	C8	N	176.7°	179.8°
N2	C14	C13	C9	179.4°	179.5°
N2	C14	C13	C12	178.1°	179.5°
C14	N2	C8	N1	1.2°	0.3°
N2	C14	C9	N1	0.6°	0.4°
N2	C14	C9	C10	178.8°	179.6°
N2	C14	C13	H9	1.9°	0.5°
N2	C8	N	N1	177.7°	179.9°
C8	N2	C14	C13	179.1°	180.0°
C8	N2	C14	C9	0.3°	0.4°
N2	C8	N1	C9	1.6°	0.0°
N2	C8	N1	H1	178.4°	179.7°
N2	C8	N	H10	113.0°	0.1°
N	C8	N1	C9	176.3°	179.9°
N	C8	N1	H1	3.7°	0.2°
C8	N	C7	H6	85.5°	60.0°
C8	N	C7	H7	34.0°	60.0°
C14	C13	C12	H9	180.0°	179.9°
C14	C13	C12	C11	0.6°	0.1°
C13	C14	C9	N1	179.9°	179.9°
C13	C14	C9	C10	0.6°	0.0°
C14	C13	C12	H14	179.4°	180.0°
C12	C13	C14	C9	1.3°	0.0°
C13	C12	C11	H14	180.0°	179.9°
C13	C12	C11	C10	0.7°	0.1°
C13	C12	C11	H13	179.3°	180.0°
C14	C9	N1	C8	1.3°	0.3°
C14	C9	N1	C10	179.4°	179.9°
C14	C9	C10	C11	0.7°	0.0°
C14	C9	N1	H1	178.7°	180.0°
C14	C9	C10	H8	179.3°	180.0°
C9	C14	C13	H9	178.8°	180.0°
C8	N1	C9	H1	180.0°	179.7°
C8	N1	C9	C10	178.1°	179.8°
N1	C8	N	H10	69.3°	180.0°
C12	C11	C10	C9	1.3°	0.0°
C12	C11	C10	H13	180.0°	179.9°
C12	C11	C10	H8	178.7°	180.0°
C11	C12	C13	H9	179.4°	180.0°
N1	C9	C10	C11	178.6°	179.9°
N1	C9	C10	H8	1.4°	0.1°
C9	C10	C11	H8	180.0°	180.0°
C10	C9	N1	H1	1.9°	0.1°
C9	C10	C11	H13	178.7°	179.9°
C10	C11	C12	H14	179.3°	180.0°
H2	C4	C5	H3	2.8°	0.3°
H3	C5	C	H11	4.0°	0.0°
H4	C6	C7	H6	173.0°	60.0°
H4	C6	C7	H7	67.6°	180.0°
H5	C6	C7	H6	51.5°	180.0°
H5	C6	C7	H7	170.9°	60.0°
H6	C7	N	H10	152.8°	120.0°
H7	C7	N	H10	87.7°	120.0°
H8	C10	C11	H13	1.3°	0.1°
H9	C13	C12	H14	0.6°	0.1°
H11	C	C1	H12	1.7°	0.0°
H12	C1	C2	H15	1.9°	0.0°
H13	C11	C12	H14	0.7°	0.1°

Release date:	2019-08-07
Definition date:	2019-03-15
Last modified:	2019-08-02
Release status:	REL
Processing site:	RCSB
Derived from:	5QPK