7YG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	sing	1.47Å	1.48Å
N2	C3	sing	1.47Å	1.48Å
N2	C4	sing	1.47Å	1.49Å
C4	C5	sing	1.53Å	1.52Å
C5	N6	sing	1.47Å	1.48Å
N6	S7	sing	1.66Å	1.71Å
S7	O8	doub	1.42Å	1.45Å
S7	O9	doub	1.42Å	1.45Å
S7	C10	sing	1.76Å	1.80Å
C10	C11	sing	1.38Å	1.38Å	Aromatic
C10	C15	doub	1.38Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.39Å	1.39Å	Aromatic
C13	C14	doub	1.39Å	1.39Å	Aromatic
C13	C16	sing	1.48Å	1.46Å
C14	C15	sing	1.38Å	1.38Å	Aromatic
C16	C17	sing	1.40Å	1.38Å	Aromatic
C16	N21	doub	1.33Å	1.34Å	Aromatic
C17	N18	doub	1.32Å	1.34Å	Aromatic
N18	C19	sing	1.33Å	1.34Å	Aromatic
C19	C20	doub	1.40Å	1.39Å	Aromatic
C19	N31	sing	1.38Å	1.40Å
C20	N21	sing	1.33Å	1.34Å	Aromatic
C20	C22	sing	1.48Å	1.48Å
C22	O23	doub	1.22Å	1.22Å
C22	N24	sing	1.35Å	1.38Å
N24	C25	sing	1.40Å	1.40Å
C25	C26	sing	1.39Å	1.38Å	Aromatic
C25	C30	doub	1.39Å	1.38Å	Aromatic
C26	C27	doub	1.39Å	1.38Å	Aromatic
C27	C28	sing	1.38Å	1.38Å	Aromatic
C28	N29	doub	1.32Å	1.34Å	Aromatic
N29	C30	sing	1.32Å	1.34Å	Aromatic
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
C1	H13C	sing	1.09Å	1.10Å
C3	H31C	sing	1.09Å	1.10Å
C3	H32C	sing	1.09Å	1.10Å
C3	H33C	sing	1.09Å	1.10Å
C4	H41C	sing	1.09Å	1.10Å
C4	H42C	sing	1.09Å	1.10Å
C5	H51C	sing	1.09Å	1.10Å
C5	H52C	sing	1.09Å	1.10Å
N6	H6	sing	0.97Å	1.00Å
C11	H11	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
N31	H311	sing	0.97Å	1.00Å
N31	H312	sing	0.97Å	1.00Å
N24	H24	sing	0.97Å	1.00Å
C26	H26	sing	1.08Å	1.08Å
C30	H30	sing	1.08Å	1.08Å
C27	H27	sing	1.08Å	1.08Å
C28	H28	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N2	C3	113.9°	111.0°
C1	N2	C4	111.8°	111.0°
N2	C1	H11C	109.5°	109.5°
N2	C1	H12C	109.4°	109.5°
N2	C1	H13C	109.4°	109.5°
C3	N2	C4	114.1°	111.0°
N2	C3	H31C	109.5°	109.5°
N2	C3	H32C	109.4°	109.5°
N2	C3	H33C	109.4°	109.5°
N2	C4	C5	108.7°	109.4°
N2	C4	H41C	109.7°	109.5°
N2	C4	H42C	109.7°	109.5°
C4	C5	N6	112.1°	109.5°
C5	C4	H41C	109.6°	109.5°
C5	C4	H42C	109.7°	109.5°
C4	C5	H51C	108.8°	109.5°
C4	C5	H52C	108.8°	109.4°
C5	N6	S7	114.5°	120.0°
N6	C5	H51C	108.8°	109.5°
N6	C5	H52C	108.8°	109.4°
C5	N6	H6	108.2°	120.0°
N6	S7	O8	109.7°	106.4°
N6	S7	O9	109.9°	106.5°
N6	S7	C10	99.2°	107.2°
S7	N6	H6	108.2°	120.0°
O8	S7	O9	121.3°	123.2°
O8	S7	C10	109.0°	106.4°
O9	S7	C10	105.3°	106.4°
S7	C10	C11	119.6°	119.8°
S7	C10	C15	119.7°	119.9°
C11	C10	C15	120.6°	120.3°
C10	C11	C12	119.5°	120.1°
C10	C11	H11	120.3°	120.0°
C10	C15	C14	118.9°	120.1°
C10	C15	H15	120.5°	119.9°
C11	C12	C13	121.2°	119.9°
C12	C11	H11	120.3°	119.9°
C11	C12	H12	119.4°	120.0°
C12	C13	C14	118.1°	119.8°
C12	C13	C16	121.8°	120.1°
C13	C12	H12	119.4°	120.1°
C14	C13	C16	120.2°	120.1°
C13	C14	C15	121.6°	119.9°
C13	C14	H14	119.2°	120.1°
C13	C16	C17	122.8°	120.0°
C13	C16	N21	117.0°	119.9°
C14	C15	H15	120.5°	120.0°
C15	C14	H14	119.2°	120.0°
C17	C16	N21	120.1°	120.1°
C16	C17	N18	123.4°	120.2°
C16	C17	H17	118.3°	119.9°
C16	N21	C20	117.0°	119.9°
C17	N18	C19	116.6°	120.1°
N18	C17	H17	118.2°	119.9°
N18	C19	C20	120.2°	119.8°
N18	C19	N31	118.2°	120.1°
C20	C19	N31	121.6°	120.0°
C19	C20	N21	122.5°	119.8°
C19	C20	C22	122.1°	120.1°
C19	N31	H311	109.5°	120.0°
C19	N31	H312	109.4°	120.0°
N21	C20	C22	115.3°	120.0°
C20	C22	O23	121.6°	120.0°
C20	C22	N24	112.7°	120.1°
O23	C22	N24	125.6°	120.0°
C22	N24	C25	127.9°	120.0°
C22	N24	H24	116.1°	120.0°
N24	C25	C26	117.2°	120.5°
N24	C25	C30	124.6°	120.5°
C25	N24	H24	116.0°	120.0°
C26	C25	C30	118.3°	119.0°
C25	C26	C27	119.4°	118.4°
C25	C26	H26	120.3°	120.8°
C25	C30	N29	124.0°	120.7°
C25	C30	H30	118.0°	119.7°
C26	C27	C28	117.9°	119.2°
C27	C26	H26	120.3°	120.8°
C26	C27	H27	121.1°	120.4°
C27	C28	N29	124.4°	120.9°
C28	C27	H27	121.1°	120.4°
C27	C28	H28	117.8°	119.5°
C28	N29	C30	116.0°	121.8°
N29	C28	H28	117.8°	119.5°
N29	C30	H30	118.0°	119.6°
H11C	C1	H12C	109.5°	109.5°
H11C	C1	H13C	109.5°	109.4°
H12C	C1	H13C	109.5°	109.5°
H31C	C3	H32C	109.5°	109.5°
H31C	C3	H33C	109.5°	109.4°
H32C	C3	H33C	109.4°	109.5°
H41C	C4	H42C	109.4°	109.5°
H51C	C5	H52C	109.4°	109.5°
H311	N31	H312	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N2	C3	C4	130.1°	124.0°
C1	N2	C4	C5	124.7°	66.0°
N2	C1	H11C	H12C	120.0°	120.0°
N2	C1	H11C	H13C	120.0°	120.0°
N2	C1	H12C	H13C	119.9°	120.0°
C1	N2	C3	H31C	180.0°	63.9°
C1	N2	C3	H32C	60.0°	176.0°
C1	N2	C3	H33C	60.0°	56.0°
C1	N2	C4	H41C	4.8°	174.0°
C1	N2	C4	H42C	115.4°	53.9°
C3	N2	C4	C5	104.2°	170.0°
C3	N2	C1	H11C	180.0°	60.0°
C3	N2	C1	H12C	60.0°	180.0°
C3	N2	C1	H13C	60.0°	60.0°
N2	C3	H31C	H32C	120.0°	120.0°
N2	C3	H31C	H33C	120.0°	119.9°
N2	C3	H32C	H33C	119.9°	120.0°
C3	N2	C4	H41C	135.9°	50.0°
C3	N2	C4	H42C	15.7°	70.0°
N2	C4	C5	H41C	119.9°	120.0°
N2	C4	C5	H42C	119.9°	120.0°
N2	C4	C5	N6	60.5°	180.0°
C4	N2	C1	H11C	48.8°	176.1°
C4	N2	C1	H12C	168.8°	56.0°
C4	N2	C1	H13C	71.2°	64.0°
C4	N2	C3	H31C	49.9°	60.0°
C4	N2	C3	H32C	70.1°	60.0°
C4	N2	C3	H33C	169.9°	179.9°
N2	C4	H41C	H42C	120.3°	120.0°
N2	C4	C5	H51C	179.1°	60.0°
N2	C4	C5	H52C	59.9°	60.0°
C4	C5	N6	H51C	120.4°	120.0°
C4	C5	N6	H52C	120.4°	119.9°
C4	C5	N6	S7	135.4°	165.0°
C5	C4	H41C	H42C	120.3°	120.0°
C4	C5	H51C	H52C	118.8°	120.0°
C4	C5	N6	H6	14.7°	15.0°
C5	N6	S7	H6	120.7°	180.0°
C5	N6	S7	O8	31.1°	178.6°
C5	N6	S7	O9	166.8°	48.5°
C5	N6	S7	C10	83.1°	65.0°
N6	C5	C4	H41C	59.4°	60.0°
N6	C5	C4	H42C	179.6°	60.0°
N6	C5	H51C	H52C	118.8°	120.0°
N6	S7	O8	O9	129.9°	123.0°
N6	S7	O8	C10	107.7°	114.0°
N6	S7	O9	C10	106.0°	114.1°
N6	S7	C10	C11	88.3°	90.0°
N6	S7	C10	C15	90.9°	90.3°
S7	N6	C5	H51C	104.2°	44.9°
S7	N6	C5	H52C	15.0°	75.1°
O8	S7	O9	C10	124.2°	122.9°
O8	S7	C10	C11	157.0°	23.5°
O8	S7	C10	C15	23.8°	156.2°
O8	S7	N6	H6	89.6°	1.5°
O9	S7	C10	C11	25.4°	156.4°
O9	S7	C10	C15	155.4°	23.3°
O9	S7	N6	H6	46.1°	131.5°
S7	C10	C11	C15	179.3°	179.7°
S7	C10	C11	C12	179.2°	180.0°
S7	C10	C15	C14	179.0°	179.8°
C10	S7	N6	H6	156.2°	115.0°
S7	C10	C11	H11	0.8°	0.1°
S7	C10	C15	H15	1.0°	0.0°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	0.5°	0.1°
C11	C10	C15	C14	0.3°	0.5°
C11	C10	C15	H15	179.7°	179.7°
C10	C11	C12	H12	179.6°	179.9°
C15	C10	C11	C12	0.1°	0.3°
C10	C15	C14	C13	0.1°	0.5°
C10	C15	C14	H15	180.0°	179.8°
C15	C10	C11	H11	179.9°	179.7°
C10	C15	C14	H14	179.9°	179.7°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.8°	0.0°
C11	C12	C13	C16	179.1°	180.0°
C12	C13	C14	C16	180.0°	180.0°
C12	C13	C14	C15	0.7°	0.2°
C12	C13	C16	C17	20.6°	5.0°
C12	C13	C16	N21	157.8°	175.2°
C13	C12	C11	H11	179.5°	180.0°
C12	C13	C14	H14	179.3°	180.0°
C13	C14	C15	H14	180.0°	179.8°
C14	C13	C16	C17	159.4°	175.0°
C14	C13	C16	N21	22.2°	4.8°
C13	C14	C15	H15	179.9°	179.7°
C14	C13	C12	H12	179.2°	180.0°
C16	C13	C14	C15	179.3°	179.8°
C13	C16	C17	N21	178.3°	179.8°
C13	C16	C17	N18	175.7°	180.0°
C13	C16	N21	C20	178.4°	179.8°
C16	C13	C12	H12	0.8°	0.0°
C16	C13	C14	H14	0.7°	0.0°
C13	C16	C17	H17	4.3°	0.0°
C16	C17	N18	H17	180.0°	180.0°
C16	C17	N18	C19	2.6°	0.0°
C17	C16	N21	C20	0.0°	0.5°
N21	C16	C17	N18	2.6°	0.2°
C16	N21	C20	C19	2.5°	0.5°
C16	N21	C20	C22	179.7°	179.8°
N21	C16	C17	H17	177.4°	179.8°
C17	N18	C19	C20	0.2°	0.0°
C17	N18	C19	N31	178.9°	180.0°
N18	C19	C20	N31	179.0°	180.0°
N18	C19	C20	N21	2.4°	0.2°
N18	C19	C20	C22	179.8°	180.0°
C19	N18	C17	H17	177.4°	180.0°
N18	C19	N31	H311	0.0°	25.3°
N18	C19	N31	H312	120.0°	154.6°
C19	C20	N21	C22	177.9°	179.8°
C19	C20	C22	O23	1.0°	5.2°
C19	C20	C22	N24	179.5°	174.8°
C20	C19	N31	H311	179.1°	154.7°
C20	C19	N31	H312	59.1°	25.4°
N31	C19	C20	N21	178.5°	179.8°
N31	C19	C20	C22	0.8°	0.0°
C19	N31	H311	H312	120.0°	180.0°
N21	C20	C22	O23	176.9°	174.5°
N21	C20	C22	N24	1.6°	5.5°
C20	C22	O23	N24	178.4°	180.0°
C20	C22	N24	C25	177.0°	174.7°
C20	C22	N24	H24	3.0°	5.3°
O23	C22	N24	C25	4.5°	5.3°
O23	C22	N24	H24	175.5°	174.7°
C22	N24	C25	H24	180.0°	180.0°
C22	N24	C25	C26	176.6°	32.2°
C22	N24	C25	C30	4.9°	148.0°
N24	C25	C26	C30	178.7°	179.8°
N24	C25	C26	C27	179.0°	180.0°
N24	C25	C30	N29	178.7°	179.6°
N24	C25	C26	H26	1.0°	0.1°
N24	C25	C30	H30	1.3°	0.0°
C25	C26	C27	H26	180.0°	180.0°
C25	C26	C27	C28	0.5°	0.1°
C26	C25	C30	N29	0.2°	0.6°
C26	C25	N24	H24	3.5°	147.7°
C26	C25	C30	H30	179.8°	179.8°
C25	C26	C27	H27	179.5°	180.0°
C30	C25	C26	C27	0.4°	0.2°
C25	C30	N29	C28	0.2°	0.6°
C25	C30	N29	H30	180.0°	179.7°
C30	C25	N24	H24	175.1°	32.0°
C30	C25	C26	H26	179.6°	179.7°
C26	C27	C28	H27	180.0°	179.9°
C26	C27	C28	N29	0.5°	0.0°
C26	C27	C28	H28	179.5°	180.0°
C27	C28	N29	H28	180.0°	180.0°
C27	C28	N29	C30	0.3°	0.3°
C28	C27	C26	H26	179.5°	180.0°
C28	N29	C30	H30	179.9°	179.7°
N29	C28	C27	H27	179.5°	179.9°
C30	N29	C28	H28	179.7°	179.7°
H11C	C1	H12C	H13C	120.0°	120.0°
H31C	C3	H32C	H33C	120.0°	120.0°
H41C	C4	C5	H51C	61.0°	NaN°
H41C	C4	C5	H52C	179.8°	60.0°
H42C	C4	C5	H51C	59.2°	60.0°
H42C	C4	C5	H52C	60.0°	180.0°
H51C	C5	N6	H6	135.0°	135.0°
H52C	C5	N6	H6	105.8°	104.9°
H11	C11	C12	H12	0.4°	0.0°
H15	C15	C14	H14	0.1°	0.1°
H26	C26	C27	H27	0.5°	0.1°
H27	C27	C28	H28	0.5°	0.1°

Definition date:	2011-12-14
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4ACC