SAQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C6	sing	1.35Å	1.38Å
N1	C2	sing	1.36Å	1.36Å
N3	C4	sing	1.36Å	1.40Å
N3	C2	doub	1.30Å	1.36Å
C4	C5	doub	1.42Å	1.40Å	Aromatic
C4	C10	sing	1.39Å	1.41Å	Aromatic
C5	C6	sing	1.47Å	1.48Å
C5	C7	sing	1.39Å	1.41Å	Aromatic
C6	O16	doub	1.22Å	1.23Å
C7	C8	doub	1.38Å	1.40Å	Aromatic
C8	N12	sing	1.39Å	1.37Å	Aromatic
C8	C9	sing	1.41Å	1.39Å	Aromatic
C10	C9	doub	1.39Å	1.41Å	Aromatic
N12	C13	sing	1.36Å	1.37Å	Aromatic
C13	N14	doub	1.31Å	1.31Å	Aromatic
C13	N15	sing	1.38Å	1.36Å
C9	N14	sing	1.36Å	1.37Å	Aromatic
N15	C25	sing	1.47Å	1.44Å
C25	C11	sing	1.51Å	1.54Å
C14	C11	doub	1.33Å	1.54Å	Aromatic
S1	C11	sing	1.76Å	1.54Å	Aromatic
S1	C12	sing	1.76Å	1.54Å	Aromatic
C12	C131	doub	1.33Å	1.54Å	Aromatic
C131	C14	sing	1.38Å	2.67Å	Aromatic
N1	HN1	sing	0.97Å	1.00Å
C7	H7	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
N12	HN12	sing	0.97Å	1.00Å
C2	H2	sing	1.08Å	1.08Å
N15	HN15	sing	0.97Å	1.00Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C12	H9	sing	1.08Å	1.08Å
C131	H101	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N1	C2	123.1°	120.7°
N1	C6	C5	116.7°	117.5°
N1	C6	O16	117.7°	121.3°
C6	N1	HN1	118.5°	119.7°
N1	C2	N3	120.2°	123.4°
C2	N1	HN1	118.4°	119.7°
N1	C2	H2	119.9°	118.3°
C4	N3	C2	120.5°	121.6°
N3	C4	C5	120.2°	118.9°
N3	C4	C10	117.8°	121.3°
N3	C2	H2	119.9°	118.3°
C5	C4	C10	122.0°	119.8°
C4	C5	C6	118.4°	118.0°
C4	C5	C7	121.8°	120.4°
C4	C10	C9	116.7°	119.7°
C4	C10	H10	121.7°	120.2°
C6	C5	C7	119.7°	121.6°
C5	C6	O16	125.0°	121.2°
C5	C7	C8	114.9°	119.5°
C5	C7	H7	122.6°	120.2°
C7	C8	N12	131.8°	133.5°
C7	C8	C9	124.4°	120.5°
C8	C7	H7	122.5°	120.2°
N12	C8	C9	103.7°	106.0°
C8	N12	C13	108.4°	107.2°
C8	N12	HN12	125.8°	126.4°
C8	C9	C10	120.1°	120.1°
C8	C9	N14	110.8°	107.0°
C10	C9	N14	129.0°	132.8°
C9	C10	H10	121.6°	120.1°
N12	C13	N14	111.0°	110.0°
N12	C13	N15	116.9°	125.0°
C13	N12	HN12	125.8°	126.4°
N14	C13	N15	132.1°	125.0°
C13	N14	C9	105.8°	109.7°
C13	N15	C25	124.3°	120.0°
C13	N15	HN15	104.8°	120.0°
N15	C25	C11	94.5°	109.5°
C25	N15	HN15	104.8°	120.0°
N15	C25	H25	114.8°	109.5°
N15	C25	H25A	117.7°	109.5°
C25	C11	C14	165.0°	125.2°
C25	C11	S1	75.0°	125.2°
C11	C25	H25	114.8°	109.5°
C11	C25	H25A	117.7°	109.5°
C14	C11	S1	120.0°	109.6°
C11	C14	C131	90.0°	114.9°
C11	C14	H11	135.0°	122.6°
C11	S1	C12	119.9°	90.9°
S1	C12	C131	120.0°	109.6°
S1	C12	H9	120.0°	125.2°
C12	C131	C14	90.0°	114.9°
C131	C12	H9	120.0°	125.2°
C12	C131	H101	135.0°	122.5°
C14	C131	H101	135.0°	122.6°
C131	C14	H11	135.0°	122.5°
H25	C25	H25A	98.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	N1	C2	HN1	180.0°	179.8°
C6	N1	C2	N3	8.3°	0.1°
N1	C6	C5	C4	5.0°	0.1°
N1	C6	C5	O16	171.6°	180.0°
N1	C6	C5	C7	179.3°	179.9°
C6	N1	C2	H2	171.7°	179.9°
N1	C2	N3	C4	9.9°	0.0°
N1	C2	N3	H2	180.0°	180.0°
C2	N1	C6	C5	0.7°	0.0°
C2	N1	C6	O16	171.4°	180.0°
N3	C4	C5	C10	178.9°	179.9°
N3	C4	C5	C6	3.5°	0.1°
N3	C4	C5	C7	179.1°	179.9°
N3	C4	C10	C9	179.4°	180.0°
N3	C4	C10	H10	0.6°	0.0°
C4	N3	C2	H2	170.1°	180.0°
C2	N3	C4	C5	4.0°	0.0°
C2	N3	C4	C10	175.0°	180.0°
N3	C2	N1	HN1	171.7°	179.7°
C4	C5	C6	C7	175.7°	179.9°
C4	C5	C6	O16	176.6°	179.9°
C4	C5	C7	C8	3.3°	0.1°
C5	C4	C10	C9	0.5°	0.1°
C4	C5	C7	H7	176.7°	180.0°
C5	C4	C10	H10	179.5°	180.0°
C10	C4	C5	C6	177.6°	180.0°
C10	C4	C5	C7	2.1°	0.1°
C4	C10	C9	C8	0.5°	0.0°
C4	C10	C9	H10	180.0°	180.0°
C4	C10	C9	N14	176.0°	180.0°
C6	C5	C7	C8	178.9°	179.9°
C5	C6	N1	HN1	179.2°	179.8°
C6	C5	C7	H7	1.2°	0.2°
C7	C5	C6	O16	7.7°	0.1°
C5	C7	C8	H7	180.0°	179.9°
C5	C7	C8	N12	178.5°	179.9°
C5	C7	C8	C9	3.4°	0.0°
O16	C6	N1	HN1	8.6°	0.2°
C7	C8	N12	C9	175.8°	179.9°
C7	C8	C9	C10	2.1°	0.0°
C7	C8	N12	C13	178.5°	180.0°
C7	C8	C9	N14	178.4°	180.0°
C7	C8	N12	HN12	1.4°	0.2°
N12	C8	C9	C10	178.3°	180.0°
C8	N12	C13	HN12	180.0°	179.9°
C8	N12	C13	N14	4.2°	0.1°
C8	N12	C13	N15	178.4°	180.0°
N12	C8	C9	N14	5.4°	0.1°
N12	C8	C7	H7	1.5°	0.0°
C8	C9	C10	N14	175.5°	180.0°
C9	C8	N12	C13	5.7°	0.1°
C8	C9	N14	C13	3.0°	0.0°
C9	C8	C7	H7	176.6°	179.9°
C8	C9	C10	H10	179.5°	180.0°
C9	C8	N12	HN12	174.4°	179.9°
C10	C9	N14	C13	178.9°	180.0°
N12	C13	N14	N15	176.8°	180.0°
N12	C13	N14	C9	0.8°	0.0°
N12	C13	N15	C25	179.2°	0.0°
N12	C13	N15	HN15	59.2°	180.0°
N14	C13	N15	C25	4.1°	180.0°
N14	C13	N12	HN12	175.8°	179.9°
N14	C13	N15	HN15	124.1°	0.0°
N15	C13	N14	C9	177.6°	180.0°
C13	N15	C25	HN15	120.0°	180.0°
C13	N15	C25	C11	89.5°	180.0°
N15	C13	N12	HN12	1.6°	0.1°
C13	N15	C25	H25	150.5°	60.0°
C13	N15	C25	H25A	35.1°	60.0°
N14	C9	C10	H10	4.0°	0.0°
N15	C25	C11	H25	120.0°	120.0°
N15	C25	C11	H25A	124.7°	120.0°
N15	C25	C11	C14	57.9°	89.8°
N15	C25	C11	S1	122.1°	90.0°
N15	C25	H25	H25A	126.0°	120.0°
C25	C11	C14	S1	180.0°	179.8°
C25	C11	S1	C12	180.0°	180.0°
C25	C11	C14	C131	180.0°	179.8°
C11	C25	N15	HN15	30.5°	0.0°
C11	C25	H25	H25A	126.0°	120.0°
C25	C11	C14	H11	0.0°	0.2°
C14	C11	S1	C12	0.0°	0.2°
C11	C14	C131	C12	0.0°	0.4°
C11	C14	C131	H11	180.0°	179.6°
C14	C11	C25	H25	62.1°	30.2°
C14	C11	C25	H25A	177.4°	150.2°
C11	C14	C131	H101	180.0°	179.8°
C11	S1	C12	C131	0.0°	0.0°
S1	C11	C14	C131	0.0°	0.4°
S1	C11	C25	H25	117.9°	150.0°
S1	C11	C25	H25A	2.6°	30.0°
C11	S1	C12	H9	180.0°	179.9°
S1	C11	C14	H11	180.0°	180.0°
S1	C12	C131	H9	180.0°	179.9°
S1	C12	C131	C14	0.0°	0.3°
S1	C12	C131	H101	180.0°	180.0°
C12	C131	C14	H101	180.0°	179.8°
C12	C131	C14	H11	180.0°	180.0°
C14	C131	C12	H9	180.0°	179.8°
HN1	N1	C2	H2	8.4°	0.3°
HN15	N15	C25	H25	89.5°	120.0°
HN15	N15	C25	H25A	155.2°	120.0°
H9	C12	C131	H101	0.0°	0.1°
H101	C131	C14	H11	0.0°	0.2°

Definition date:	2009-03-04
Last modified:	2021-03-13
Release status:	REL
Processing site:	PDBJ
Derived from:	3GEV