GO5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	sing	1.53Å	1.52Å
C8	C6	sing	1.52Å	1.50Å
C4	C7	sing	1.53Å	1.52Å
C4	C3	sing	1.53Å	1.50Å
C7	N	sing	1.46Å	1.45Å
O	C6	doub	1.21Å	1.23Å
C3	C2	sing	1.53Å	1.49Å
C6	C5	sing	1.52Å	1.51Å
CD1	CE1	doub	1.38Å	1.37Å	Aromatic
CD1	CG	sing	1.38Å	1.36Å	Aromatic
N	CA	sing	1.47Å	1.50Å
N	C1	sing	1.46Å	1.45Å
CB	CA	sing	1.53Å	1.50Å
CB	CG	sing	1.51Å	1.47Å
CE1	CZ	sing	1.38Å	1.36Å	Aromatic
C2	C1	sing	1.53Å	1.51Å
C5	C1	sing	1.53Å	1.51Å
CG	CD2	doub	1.38Å	1.36Å	Aromatic
CZ	CL1	sing	1.74Å	1.72Å
CZ	CE2	doub	1.38Å	1.36Å	Aromatic
CD2	CE2	sing	1.38Å	1.38Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
CA	H14	sing	1.09Å	1.10Å
CA	H15	sing	1.09Å	1.10Å
CB	H16	sing	1.09Å	1.10Å
CB	H17	sing	1.09Å	1.10Å
CD1	H18	sing	1.08Å	1.08Å
CE1	H19	sing	1.08Å	1.08Å
CE2	H20	sing	1.08Å	1.08Å
CD2	H21	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	C6	116.2°	108.3°
C8	C7	C4	110.9°	109.8°
C8	C7	N	113.5°	110.1°
C8	C7	H5	107.6°	108.6°
C7	C8	H6	107.7°	109.7°
C7	C8	H7	107.8°	109.7°
C8	C6	O	119.0°	121.2°
C8	C6	C5	117.7°	117.6°
C6	C8	H6	107.8°	109.7°
C6	C8	H7	107.8°	109.7°
C7	C4	C3	111.6°	109.4°
C4	C7	N	108.5°	110.3°
C7	C4	H1	108.9°	109.5°
C7	C4	H2	108.9°	109.5°
C4	C7	H5	107.6°	109.0°
C4	C3	C2	108.6°	108.9°
C3	C4	H1	108.9°	109.4°
C3	C4	H2	108.9°	109.5°
C4	C3	H12	109.7°	109.6°
C4	C3	H13	109.7°	109.6°
C7	N	CA	116.0°	111.0°
C7	N	C1	111.3°	112.8°
N	C7	H5	108.5°	109.0°
O	C6	C5	122.4°	121.3°
C3	C2	C1	124.4°	109.4°
C3	C2	H10	105.6°	109.5°
C3	C2	H11	105.6°	109.5°
C2	C3	H12	109.7°	109.6°
C2	C3	H13	109.7°	109.6°
C6	C5	C1	112.6°	108.4°
C6	C5	H3	108.7°	109.6°
C6	C5	H4	108.7°	109.7°
CE1	CD1	CG	122.9°	120.1°
CD1	CE1	CZ	118.4°	120.0°
CE1	CD1	H18	118.5°	119.9°
CD1	CE1	H19	120.8°	120.1°
CD1	CG	CB	117.4°	120.0°
CD1	CG	CD2	118.6°	120.0°
CG	CD1	H18	118.5°	120.0°
CA	N	C1	105.4°	111.0°
N	CA	CB	109.9°	109.5°
N	CA	H14	109.4°	109.5°
N	CA	H15	109.4°	109.5°
N	C1	C2	104.8°	110.3°
N	C1	C5	119.4°	110.1°
N	C1	H9	111.5°	109.0°
CA	CB	CG	109.0°	109.4°
CB	CA	H14	109.4°	109.5°
CB	CA	H15	109.4°	109.4°
CA	CB	H16	109.6°	109.5°
CA	CB	H17	109.6°	109.4°
CB	CG	CD2	124.0°	120.0°
CG	CB	H16	109.6°	109.5°
CG	CB	H17	109.6°	109.5°
CE1	CZ	CL1	118.7°	120.0°
CE1	CZ	CE2	119.0°	120.0°
CZ	CE1	H19	120.8°	120.0°
C2	C1	C5	98.8°	109.8°
C2	C1	H9	110.6°	108.5°
C1	C2	H10	105.6°	109.5°
C1	C2	H11	105.6°	109.5°
C1	C5	H3	108.7°	109.7°
C1	C5	H4	108.7°	109.7°
C5	C1	H9	110.6°	109.0°
CG	CD2	CE2	119.0°	120.0°
CG	CD2	H21	120.5°	119.9°
CL1	CZ	CE2	122.1°	120.0°
CZ	CE2	CD2	122.0°	120.0°
CZ	CE2	H20	119.0°	120.0°
CD2	CE2	H20	119.0°	120.0°
CE2	CD2	H21	120.5°	120.0°
H1	C4	H2	109.5°	109.5°
H3	C5	H4	109.5°	109.7°
H6	C8	H7	109.4°	109.7°
H10	C2	H11	109.5°	109.4°
H12	C3	H13	109.5°	109.6°
H14	CA	H15	109.5°	109.4°
H16	CB	H17	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	C6	H6	121.0°	119.7°
C7	C8	C6	H7	121.0°	119.7°
C8	C7	C4	N	125.3°	121.5°
C8	C7	C4	H5	117.5°	118.8°
C8	C7	C4	C3	64.3°	63.7°
C8	C7	N	H5	119.6°	119.0°
C7	C8	C6	O	137.7°	130.4°
C7	C8	C6	C5	31.5°	49.6°
C8	C7	N	CA	67.9°	62.3°
C8	C7	N	C1	52.6°	63.0°
C8	C7	C4	H1	175.4°	176.3°
C8	C7	C4	H2	56.0°	56.3°
C7	C8	H6	H7	116.9°	120.6°
C6	C8	C7	C4	77.9°	68.8°
C6	C8	C7	N	44.6°	52.9°
C8	C6	O	C5	168.6°	180.0°
C8	C6	C5	C1	26.5°	49.6°
C8	C6	C5	H3	147.0°	169.3°
C8	C6	C5	H4	93.9°	70.1°
C6	C8	C7	H5	164.6°	172.2°
C6	C8	H6	H7	117.0°	120.5°
C7	C4	C3	H1	120.3°	120.0°
C7	C4	C3	H2	120.3°	120.0°
C4	C7	N	H5	116.6°	119.7°
C7	C4	C3	C2	42.2°	58.4°
C4	C7	N	CA	168.4°	176.4°
C4	C7	N	C1	71.2°	58.3°
C7	C4	H1	H2	119.0°	120.1°
C4	C7	C8	H6	43.1°	171.5°
C4	C7	C8	H7	161.1°	50.9°
C7	C4	C3	H12	162.0°	178.3°
C7	C4	C3	H13	77.7°	61.4°
C3	C4	C7	N	61.0°	57.8°
C4	C3	C2	H12	119.9°	119.9°
C4	C3	C2	H13	119.9°	119.9°
C4	C3	C2	C1	37.3°	58.4°
C3	C4	H1	H2	119.0°	120.0°
C3	C4	C7	H5	178.2°	177.5°
C4	C3	C2	H10	84.8°	178.5°
C4	C3	C2	H11	159.3°	61.6°
C4	C3	H12	H13	120.4°	120.3°
C7	N	CA	C1	123.6°	126.3°
C7	N	CA	CB	73.1°	170.0°
C7	N	C1	C2	58.1°	58.4°
C7	N	C1	C5	51.3°	63.0°
N	C7	C4	H1	59.3°	62.2°
N	C7	C4	H2	178.7°	177.8°
N	C7	C8	H6	165.6°	66.8°
N	C7	C8	H7	76.4°	172.6°
C7	N	C1	H9	177.8°	177.5°
C7	N	CA	H14	166.9°	69.9°
C7	N	CA	H15	47.0°	50.1°
O	C6	C5	C1	142.2°	130.4°
O	C6	C5	H3	21.7°	10.7°
O	C6	C5	H4	97.3°	109.9°
O	C6	C8	H6	16.7°	109.9°
O	C6	C8	H7	101.3°	10.6°
C3	C2	C1	N	44.0°	57.8°
C3	C2	C1	H10	122.0°	120.0°
C3	C2	C1	H11	122.0°	120.0°
C3	C2	C1	C5	79.7°	63.7°
C2	C3	C4	H1	78.1°	61.6°
C2	C3	C4	H2	162.5°	178.4°
C3	C2	C1	H9	164.3°	177.2°
C3	C2	H10	H11	113.3°	120.0°
C2	C3	H12	H13	120.4°	120.2°
C6	C5	C1	N	37.4°	52.9°
C6	C5	C1	C2	75.2°	68.8°
C6	C5	C1	H3	120.5°	119.6°
C6	C5	C1	H4	120.5°	119.8°
C6	C5	H3	H4	118.6°	120.5°
C5	C6	C8	H6	152.5°	70.1°
C5	C6	C8	H7	89.5°	169.4°
C6	C5	C1	H9	168.8°	172.4°
CE1	CD1	CG	H18	180.0°	180.0°
CE1	CD1	CG	CB	179.7°	180.0°
CD1	CE1	CZ	H19	180.0°	180.0°
CE1	CD1	CG	CD2	0.2°	0.3°
CD1	CE1	CZ	CL1	178.0°	180.0°
CD1	CE1	CZ	CE2	2.6°	0.1°
CD1	CG	CB	CA	128.3°	89.7°
CD1	CG	CB	CD2	179.5°	179.8°
CG	CD1	CE1	CZ	1.2°	0.0°
CD1	CG	CD2	CE2	0.1°	0.6°
CD1	CG	CB	H16	8.4°	150.3°
CD1	CG	CB	H17	111.8°	30.2°
CG	CD1	CE1	H19	178.8°	179.9°
CD1	CG	CD2	H21	179.8°	179.7°
N	CA	CB	H14	120.1°	120.1°
N	CA	CB	H15	120.0°	120.0°
N	CA	CB	CG	174.0°	180.0°
CA	N	C1	C2	175.4°	176.4°
CA	N	C1	C5	75.2°	62.3°
CA	N	C7	H5	51.7°	56.8°
CA	N	C1	H9	55.7°	57.3°
N	CA	H14	H15	119.8°	120.0°
N	CA	CB	H16	66.0°	60.0°
N	CA	CB	H17	54.1°	60.1°
C1	N	CA	CB	163.3°	63.8°
N	C1	C2	C5	123.7°	121.5°
N	C1	C2	H9	120.3°	119.4°
N	C1	C5	H9	131.3°	119.5°
N	C1	C5	H3	157.9°	172.5°
N	C1	C5	H4	83.0°	66.9°
C1	N	C7	H5	172.2°	178.0°
N	C1	C2	H10	78.0°	177.8°
N	C1	C2	H11	166.0°	62.2°
C1	N	CA	H14	43.3°	56.3°
C1	N	CA	H15	76.6°	176.3°
CA	CB	CG	H16	119.9°	120.0°
CA	CB	CG	H17	119.9°	119.9°
CA	CB	CG	CD2	52.2°	90.0°
CB	CA	H14	H15	119.8°	119.9°
CA	CB	H16	H17	120.2°	120.0°
CB	CG	CD2	CE2	179.6°	179.7°
CG	CB	CA	H14	54.0°	59.9°
CG	CB	CA	H15	65.9°	60.0°
CG	CB	H16	H17	120.2°	120.0°
CB	CG	CD1	H18	0.3°	0.0°
CB	CG	CD2	H21	0.3°	0.1°
CE1	CZ	CL1	CE2	175.3°	179.9°
CE1	CZ	CE2	CD2	2.7°	0.3°
CZ	CE1	CD1	H18	178.8°	180.0°
CE1	CZ	CE2	H20	177.2°	180.0°
C2	C1	C5	H9	116.0°	118.8°
C2	C1	C5	H3	45.3°	50.8°
C2	C1	C5	H4	164.3°	171.4°
C1	C2	H10	H11	113.3°	120.1°
C1	C2	C3	H12	157.1°	178.3°
C1	C2	C3	H13	82.6°	61.4°
C1	C5	H3	H4	118.6°	120.6°
C5	C1	C2	H10	158.2°	56.3°
C5	C1	C2	H11	42.3°	176.3°
CG	CD2	CE2	CZ	1.3°	0.6°
CG	CD2	CE2	H21	180.0°	179.8°
CD2	CG	CB	H16	172.1°	30.0°
CD2	CG	CB	H17	67.7°	150.0°
CD2	CG	CD1	H18	179.8°	179.8°
CG	CD2	CE2	H20	178.6°	179.7°
CL1	CZ	CE2	CD2	178.0°	179.7°
CL1	CZ	CE1	H19	2.0°	0.0°
CL1	CZ	CE2	H20	2.0°	0.0°
CZ	CE2	CD2	H20	180.0°	179.7°
CE2	CZ	CE1	H19	177.4°	179.9°
CZ	CE2	CD2	H21	178.7°	179.7°
H1	C4	C7	H5	57.9°	57.5°
H1	C4	C3	H12	41.7°	58.3°
H1	C4	C3	H13	162.0°	178.6°
H2	C4	C7	H5	61.5°	62.5°
H2	C4	C3	H12	77.6°	61.7°
H2	C4	C3	H13	42.6°	58.6°
H3	C5	C1	H9	70.7°	68.0°
H4	C5	C1	H9	48.3°	52.6°
H5	C7	C8	H6	74.4°	52.5°
H5	C7	C8	H7	43.6°	68.1°
H9	C1	C2	H10	42.2°	62.8°
H9	C1	C2	H11	73.7°	57.3°
H10	C2	C3	H12	35.1°	61.6°
H10	C2	C3	H13	155.3°	58.6°
H11	C2	C3	H12	80.9°	58.3°
H11	C2	C3	H13	39.4°	178.6°
H14	CA	CB	H16	173.9°	179.9°
H14	CA	CB	H17	66.0°	60.0°
H15	CA	CB	H16	54.0°	60.0°
H15	CA	CB	H17	174.1°	180.0°
H18	CD1	CE1	H19	1.1°	0.0°
H20	CE2	CD2	H21	1.3°	0.0°

Release date:	2019-02-27
Definition date:	2018-09-29
Last modified:	2019-02-22
Release status:	REL
Processing site:	EBI
Derived from:	6HS1