59B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	O10	sing	1.43Å	1.43Å
C07	C04	sing	1.53Å	1.54Å
O10	C11	sing	1.43Å	1.43Å
C04	N03	sing	1.47Å	1.48Å
C11	C14	sing	1.53Å	1.54Å
N03	C14	sing	1.47Å	1.47Å
N03	C02	sing	1.35Å	1.34Å
O01	C02	doub	1.22Å	1.23Å
C02	C17	sing	1.48Å	1.48Å
C17	C18	doub	1.40Å	1.39Å	Aromatic
C17	C44	sing	1.40Å	1.41Å	Aromatic
C18	C20	sing	1.38Å	1.40Å	Aromatic
C44	C42	doub	1.38Å	1.41Å	Aromatic
C20	C22	doub	1.39Å	1.40Å	Aromatic
C42	C22	sing	1.39Å	1.41Å	Aromatic
C22	N23	sing	1.39Å	1.42Å
N23	C25	sing	1.38Å	1.38Å
N26	C25	doub	1.31Å	1.32Å	Aromatic
N26	C27	sing	1.36Å	1.41Å	Aromatic
C25	C41	sing	1.46Å	1.48Å	Aromatic
C28	C27	doub	1.40Å	1.40Å	Aromatic
C28	C30	sing	1.37Å	1.41Å	Aromatic
C27	C36	sing	1.41Å	1.40Å	Aromatic
C41	N40	doub	1.32Å	1.31Å	Aromatic
C41	N37	sing	1.37Å	1.37Å	Aromatic
C30	C32	doub	1.39Å	1.40Å	Aromatic
N40	N39	sing	1.29Å	1.44Å	Aromatic
C36	N37	sing	1.38Å	1.41Å	Aromatic
C36	C34	doub	1.39Å	1.40Å	Aromatic
N37	N38	sing	1.29Å	1.44Å	Aromatic
C32	C34	sing	1.38Å	1.40Å	Aromatic
N39	N38	doub	1.29Å	1.25Å	Aromatic
C20	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C14	H4	sing	1.09Å	1.10Å
C14	H5	sing	1.09Å	1.10Å
C18	H6	sing	1.08Å	1.08Å
C04	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.09Å	1.10Å
C07	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.09Å	1.10Å
N23	H11	sing	0.97Å	1.00Å
C28	H12	sing	1.08Å	1.08Å
C30	H13	sing	1.08Å	1.08Å
C32	H14	sing	1.08Å	1.08Å
C34	H15	sing	1.08Å	1.08Å
C42	H16	sing	1.08Å	1.08Å
C44	H17	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O10	C07	C04	111.7°	109.2°
C07	O10	C11	112.9°	114.2°
O10	C07	H9	108.9°	109.5°
O10	C07	H10	108.9°	109.5°
C07	C04	N03	111.4°	108.4°
C07	C04	H7	109.0°	109.7°
C07	C04	H8	109.0°	109.7°
C04	C07	H9	108.9°	109.5°
C04	C07	H10	108.9°	109.5°
O10	C11	C14	110.4°	109.2°
O10	C11	H2	109.2°	109.5°
O10	C11	H3	109.3°	109.5°
C04	N03	C14	111.0°	118.0°
C04	N03	C02	123.1°	121.0°
N03	C04	H7	109.0°	109.7°
N03	C04	H8	109.0°	109.7°
C11	C14	N03	109.0°	108.4°
C14	C11	H2	109.2°	109.6°
C14	C11	H3	109.2°	109.6°
C11	C14	H4	109.6°	109.7°
C11	C14	H5	109.6°	109.7°
C14	N03	C02	125.9°	121.0°
N03	C14	H4	109.6°	109.7°
N03	C14	H5	109.6°	109.7°
N03	C02	O01	120.0°	120.0°
N03	C02	C17	123.5°	120.0°
O01	C02	C17	116.5°	120.0°
C02	C17	C18	119.3°	120.1°
C02	C17	C44	120.8°	120.1°
C18	C17	C44	119.9°	119.8°
C17	C18	C20	119.6°	119.9°
C17	C18	H6	120.2°	120.0°
C17	C44	C42	120.5°	120.0°
C17	C44	H17	119.7°	120.0°
C18	C20	C22	121.3°	120.1°
C18	C20	H1	119.3°	119.9°
C20	C18	H6	120.2°	120.0°
C44	C42	C22	119.7°	120.0°
C44	C42	H16	120.1°	120.0°
C42	C44	H17	119.8°	120.0°
C20	C22	C42	119.0°	120.2°
C20	C22	N23	115.5°	119.9°
C22	C20	H1	119.3°	120.0°
C42	C22	N23	125.5°	119.9°
C22	C42	H16	120.2°	120.0°
C22	N23	C25	127.8°	120.0°
C22	N23	H11	116.1°	119.9°
N23	C25	N26	124.9°	120.0°
N23	C25	C41	116.4°	120.1°
C25	N23	H11	116.1°	120.0°
C25	N26	C27	121.6°	121.1°
N26	C25	C41	118.7°	119.9°
N26	C27	C28	119.8°	119.9°
N26	C27	C36	120.6°	120.8°
C25	C41	N40	131.4°	134.2°
C25	C41	N37	120.2°	119.4°
C27	C28	C30	120.4°	119.9°
C28	C27	C36	119.6°	119.4°
C27	C28	H12	119.8°	120.0°
C28	C30	C32	119.6°	120.5°
C30	C28	H12	119.8°	120.1°
C28	C30	H13	120.2°	119.8°
C27	C36	N37	118.9°	119.8°
C27	C36	C34	120.4°	119.8°
N40	C41	N37	108.5°	106.4°
C41	N40	N39	108.1°	107.7°
C41	N37	C36	120.0°	119.0°
C41	N37	N38	106.0°	106.9°
C30	C32	C34	120.2°	120.4°
C32	C30	H13	120.2°	119.8°
C30	C32	H14	119.9°	119.8°
N40	N39	N38	108.7°	109.9°
N37	C36	C34	120.7°	120.4°
C36	N37	N38	134.0°	134.0°
C36	C34	C32	119.8°	120.1°
C36	C34	H15	120.1°	120.0°
N37	N38	N39	108.7°	109.1°
C34	C32	H14	119.9°	119.8°
C32	C34	H15	120.1°	120.0°
H2	C11	H3	109.5°	109.5°
H4	C14	H5	109.5°	109.6°
H7	C04	H8	109.5°	109.6°
H9	C07	H10	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O10	C07	C04	H9	120.3°	119.9°
O10	C07	C04	H10	120.3°	119.9°
O10	C07	C04	N03	51.0°	52.3°
C07	O10	C11	C14	58.4°	62.6°
C07	O10	C11	H2	61.7°	57.4°
C07	O10	C11	H3	178.6°	177.4°
O10	C07	C04	H7	69.3°	67.4°
O10	C07	C04	H8	171.3°	172.1°
O10	C07	H9	H10	119.0°	120.2°
C04	C07	O10	C11	54.0°	62.6°
C07	C04	N03	H7	120.3°	119.8°
C07	C04	N03	H8	120.3°	119.8°
C07	C04	N03	C14	53.8°	50.6°
C07	C04	N03	C02	124.6°	129.5°
C07	C04	H7	H8	119.1°	120.6°
C04	C07	H9	H10	119.0°	120.1°
O10	C11	C14	H2	120.1°	119.9°
O10	C11	C14	H3	120.2°	120.0°
O10	C11	C14	N03	59.4°	52.3°
O10	C11	H2	H3	119.6°	120.1°
O10	C11	C14	H4	179.3°	67.4°
O10	C11	C14	H5	60.5°	172.1°
C11	O10	C07	H9	174.4°	177.5°
C11	O10	C07	H10	66.3°	57.3°
C04	N03	C14	C11	57.5°	50.6°
C04	N03	C14	C02	178.4°	180.0°
C04	N03	C02	O01	0.9°	174.4°
C04	N03	C02	C17	180.0°	5.5°
C04	N03	C14	H4	177.5°	69.2°
C04	N03	C14	H5	62.4°	170.3°
N03	C04	H7	H8	119.2°	120.5°
N03	C04	C07	H9	171.3°	172.3°
N03	C04	C07	H10	69.3°	67.6°
C11	C14	N03	H4	119.9°	119.8°
C11	C14	N03	H5	119.9°	119.7°
C11	C14	N03	C02	120.9°	129.5°
C14	C11	H2	H3	119.6°	120.2°
C11	C14	H4	H5	120.2°	120.5°
C14	N03	C02	O01	179.1°	5.6°
C14	N03	C02	C17	1.8°	174.5°
N03	C14	C11	H2	60.7°	67.6°
N03	C14	C11	H3	179.6°	172.3°
N03	C14	H4	H5	120.2°	120.5°
C14	N03	C04	H7	66.4°	69.2°
C14	N03	C04	H8	174.1°	170.3°
N03	C02	O01	C17	179.2°	179.9°
N03	C02	C17	C18	111.1°	141.2°
N03	C02	C17	C44	69.8°	39.3°
C02	N03	C14	H4	0.9°	110.7°
C02	N03	C14	H5	119.2°	9.7°
C02	N03	C04	H7	115.1°	110.7°
C02	N03	C04	H8	4.3°	9.7°
O01	C02	C17	C18	69.7°	38.7°
O01	C02	C17	C44	109.3°	140.8°
C02	C17	C18	C44	179.1°	179.5°
C02	C17	C18	C20	179.4°	180.0°
C02	C17	C44	C42	179.3°	179.7°
C02	C17	C18	H6	0.7°	0.1°
C02	C17	C44	H17	0.7°	0.5°
C17	C18	C20	H6	180.0°	179.9°
C18	C17	C44	C42	0.3°	0.8°
C17	C18	C20	C22	0.3°	0.0°
C17	C18	C20	H1	179.7°	179.7°
C18	C17	C44	H17	179.7°	180.0°
C44	C17	C18	C20	0.3°	0.5°
C17	C44	C42	H17	180.0°	179.2°
C17	C44	C42	C22	0.3°	0.6°
C44	C17	C18	H6	179.7°	179.5°
C17	C44	C42	H16	179.7°	179.4°
C18	C20	C22	H1	180.0°	179.8°
C18	C20	C22	C42	0.3°	0.2°
C18	C20	C22	N23	179.5°	179.7°
C44	C42	C22	C20	0.2°	0.1°
C44	C42	C22	H16	180.0°	180.0°
C44	C42	C22	N23	179.5°	180.0°
C20	C22	C42	N23	179.8°	179.9°
C20	C22	N23	C25	179.8°	33.7°
C22	C20	C18	H6	179.7°	180.0°
C20	C22	N23	H11	0.2°	146.2°
C20	C22	C42	H16	179.7°	179.9°
C42	C22	N23	C25	0.4°	146.2°
C42	C22	C20	H1	179.8°	180.0°
C42	C22	N23	H11	179.6°	33.9°
C22	C42	C44	H17	179.7°	179.8°
C22	N23	C25	H11	180.0°	179.9°
C22	N23	C25	N26	8.8°	5.7°
C22	N23	C25	C41	172.7°	174.6°
N23	C22	C20	H1	0.4°	0.1°
N23	C22	C42	H16	0.5°	0.1°
N23	C25	N26	C41	178.5°	179.7°
N23	C25	N26	C27	178.9°	180.0°
N23	C25	C41	N40	1.3°	0.6°
N23	C25	C41	N37	179.3°	179.8°
C25	N26	C27	C28	179.9°	180.0°
C25	N26	C27	C36	0.0°	0.1°
N26	C25	C41	N40	179.9°	179.7°
N26	C25	C41	N37	0.7°	0.5°
N26	C25	N23	H11	171.2°	174.4°
C27	N26	C25	C41	0.4°	0.3°
N26	C27	C28	C36	180.0°	179.9°
N26	C27	C28	C30	179.5°	180.0°
N26	C27	C36	N37	0.3°	0.1°
N26	C27	C36	C34	179.8°	180.0°
N26	C27	C28	H12	0.5°	0.1°
C25	C41	N40	N37	179.5°	179.3°
C25	C41	N40	N39	179.4°	179.6°
C25	C41	N37	C36	0.4°	0.5°
C25	C41	N37	N38	179.5°	179.7°
C41	C25	N23	H11	7.3°	5.3°
C27	C28	C30	H12	180.0°	180.0°
C27	C28	C30	C32	0.5°	0.1°
C28	C27	C36	N37	179.6°	180.0°
C28	C27	C36	C34	0.2°	0.0°
C27	C28	C30	H13	179.5°	180.0°
C30	C28	C27	C36	0.5°	0.1°
C28	C30	C32	H13	180.0°	180.0°
C28	C30	C32	C34	0.2°	0.0°
C28	C30	C32	H14	179.8°	180.0°
C27	C36	N37	C41	0.1°	0.3°
C27	C36	N37	C34	179.9°	180.0°
C27	C36	N37	N38	179.9°	180.0°
C27	C36	C34	C32	0.1°	0.0°
C36	C27	C28	H12	179.5°	180.0°
C27	C36	C34	H15	179.9°	179.9°
N40	C41	N37	C36	179.9°	179.9°
N40	C41	N37	N38	0.0°	0.3°
C41	N40	N39	N38	0.1°	0.3°
N37	C41	N40	N39	0.1°	0.4°
C41	N37	C36	N38	179.8°	179.8°
C41	N37	C36	C34	180.0°	179.7°
C41	N37	N38	N39	0.0°	0.2°
C30	C32	C34	C36	0.1°	0.0°
C30	C32	C34	H14	180.0°	179.9°
C32	C30	C28	H12	179.5°	180.0°
C30	C32	C34	H15	179.9°	179.9°
N40	N39	N38	N37	0.1°	0.1°
N37	C36	C34	C32	179.9°	180.0°
C36	N37	N38	N39	179.8°	180.0°
N37	C36	C34	H15	0.1°	0.1°
C34	C36	N37	N38	0.2°	0.0°
C36	C34	C32	H15	180.0°	179.9°
C36	C34	C32	H14	179.9°	180.0°
C34	C32	C30	H13	179.8°	180.0°
H1	C20	C18	H6	0.2°	0.2°
H2	C11	C14	H4	59.2°	172.7°
H2	C11	C14	H5	179.3°	52.2°
H3	C11	C14	H4	60.5°	52.5°
H3	C11	C14	H5	59.6°	68.0°
H7	C04	C07	H9	51.0°	52.5°
H7	C04	C07	H10	170.4°	172.6°
H8	C04	C07	H9	68.4°	68.0°
H8	C04	C07	H10	51.0°	52.1°
H12	C28	C30	H13	0.5°	0.0°
H13	C30	C32	H14	0.2°	0.1°
H14	C32	C34	H15	0.1°	0.0°
H16	C42	C44	H17	0.3°	0.2°

Release date:	2016-09-07
Definition date:	2015-08-26
Last modified:	2016-09-02
Release status:	REL
Processing site:	RCSB
Derived from:	5DCZ