5D7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O9	C6	doub	1.21Å	1.22Å
N	CA	sing	1.47Å	1.46Å
NE	CD	sing	1.47Å	1.46Å
NE	CZ	sing	1.38Å	1.33Å
C6	O7	sing	1.35Å	1.44Å
C6	C2	sing	1.47Å	1.48Å
C8	O7	sing	1.45Å	1.43Å
C8	C3	sing	1.51Å	1.51Å
N3	C2	sing	1.34Å	1.36Å	Aromatic
N3	C4	doub	1.29Å	1.34Å	Aromatic
CD	CG	sing	1.53Å	1.52Å
NH2	CZ	doub	1.30Å	1.26Å
CG	CB	sing	1.53Å	1.53Å
C2	C1	doub	1.35Å	1.40Å	Aromatic
CZ	NH1	sing	1.38Å	1.27Å
CA	C4	sing	1.51Å	1.48Å
CA	CB	sing	1.53Å	1.54Å
C5	C3	doub	1.31Å	1.32Å
C4	S5	sing	1.71Å	1.73Å	Aromatic
C1	S5	sing	1.71Å	1.73Å	Aromatic
C8	H1	sing	1.09Å	1.10Å
C8	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.08Å	1.08Å
CA	H4	sing	1.09Å	1.10Å
N	H5	sing	1.01Å	1.00Å
N	H6	sing	1.01Å	1.00Å
CB	H8	sing	1.09Å	1.10Å
CB	H9	sing	1.09Å	1.10Å
CG	H10	sing	1.09Å	1.10Å
CG	H11	sing	1.09Å	1.10Å
CD	H12	sing	1.09Å	1.10Å
CD	H13	sing	1.09Å	1.10Å
NE	H14	sing	0.97Å	1.00Å
NH2	H15	sing	0.97Å	1.00Å
NH1	H16	sing	0.97Å	1.00Å
NH1	H17	sing	0.97Å	1.00Å
C3	H18	sing	1.08Å	1.08Å
C5	H19	sing	1.08Å	1.08Å
C5	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O9	C6	O7	121.0°	120.0°
O9	C6	C2	121.5°	120.0°
N	CA	C4	107.6°	109.5°
N	CA	CB	110.8°	109.5°
N	CA	H4	109.2°	109.5°
CA	N	H5	109.5°	111.0°
CA	N	H6	109.5°	111.0°
CD	NE	CZ	128.5°	120.0°
NE	CD	CG	109.1°	109.5°
NE	CD	H12	109.6°	109.5°
NE	CD	H13	109.6°	109.4°
CD	NE	H14	115.8°	120.0°
NE	CZ	NH2	119.9°	120.0°
NE	CZ	NH1	120.6°	120.0°
CZ	NE	H14	115.7°	120.0°
O7	C6	C2	117.5°	120.0°
C6	O7	C8	121.8°	117.0°
C6	C2	N3	122.1°	123.2°
C6	C2	C1	122.4°	123.2°
O7	C8	C3	108.3°	109.4°
O7	C8	H1	109.8°	109.5°
O7	C8	H2	109.7°	109.4°
C8	C3	C5	121.0°	119.9°
C3	C8	H1	109.8°	109.5°
C3	C8	H2	109.8°	109.5°
C8	C3	H18	119.5°	120.0°
C2	N3	C4	115.2°	115.8°
N3	C2	C1	115.4°	113.7°
N3	C4	CA	130.6°	124.8°
N3	C4	S5	108.8°	110.6°
CD	CG	CB	109.1°	109.5°
CD	CG	H10	109.6°	109.5°
CD	CG	H11	109.6°	109.5°
CG	CD	H12	109.6°	109.5°
CG	CD	H13	109.5°	109.5°
NH2	CZ	NH1	119.5°	120.0°
CZ	NH2	H15	112.0°	120.0°
CG	CB	CA	116.0°	109.5°
CG	CB	H8	107.8°	109.5°
CG	CB	H9	107.8°	109.4°
CB	CG	H10	109.6°	109.5°
CB	CG	H11	109.5°	109.4°
C2	C1	S5	106.5°	108.8°
C2	C1	H3	126.8°	125.6°
CZ	NH1	H16	120.0°	120.0°
CZ	NH1	H17	120.0°	120.0°
C4	CA	CB	112.1°	109.5°
CA	C4	S5	120.6°	124.6°
C4	CA	H4	109.0°	109.4°
CB	CA	H4	108.2°	109.5°
CA	CB	H8	107.8°	109.5°
CA	CB	H9	107.8°	109.5°
C5	C3	H18	119.5°	120.0°
C3	C5	H19	120.0°	120.0°
C3	C5	H20	120.0°	120.1°
C4	S5	C1	94.1°	91.1°
S5	C1	H3	126.8°	125.6°
H1	C8	H2	109.5°	109.5°
H5	N	H6	109.5°	111.0°
H8	CB	H9	109.5°	109.4°
H10	CG	H11	109.5°	109.4°
H12	CD	H13	109.5°	109.4°
H16	NH1	H17	120.0°	120.0°
H19	C5	H20	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O9	C6	O7	C2	178.6°	179.7°
O9	C6	O7	C8	6.2°	0.0°
O9	C6	C2	N3	9.3°	179.7°
O9	C6	C2	C1	172.2°	0.0°
N	CA	C4	N3	9.3°	134.9°
N	CA	CB	CG	77.5°	65.0°
N	CA	C4	CB	122.0°	120.1°
N	CA	C4	H4	118.3°	120.0°
N	CA	CB	H4	119.7°	120.0°
N	CA	C4	S5	169.3°	45.1°
CA	N	H5	H6	120.0°	123.9°
N	CA	CB	H8	43.5°	55.0°
N	CA	CB	H9	161.6°	175.0°
CD	NE	CZ	H14	180.0°	180.0°
NE	CD	CG	H12	119.9°	120.0°
NE	CD	CG	H13	119.9°	120.0°
CD	NE	CZ	NH2	179.7°	0.0°
NE	CD	CG	CB	174.2°	180.0°
CD	NE	CZ	NH1	1.5°	180.0°
NE	CD	CG	H10	54.2°	60.0°
NE	CD	CG	H11	65.9°	60.0°
NE	CD	H12	H13	120.2°	120.0°
CZ	NE	CD	CG	87.4°	180.0°
NE	CZ	NH2	NH1	178.8°	180.0°
CZ	NE	CD	H12	152.7°	60.0°
CZ	NE	CD	H13	32.5°	60.0°
NE	CZ	NH2	H15	178.8°	180.0°
NE	CZ	NH1	H16	178.7°	0.0°
NE	CZ	NH1	H17	1.2°	180.0°
C6	O7	C8	C3	177.1°	180.0°
O7	C6	C2	N3	169.3°	0.0°
O7	C6	C2	C1	9.1°	179.7°
C6	O7	C8	H1	57.3°	60.0°
C6	O7	C8	H2	63.1°	60.1°
C2	C6	O7	C8	175.2°	179.7°
C6	C2	N3	C1	178.5°	179.7°
C6	C2	N3	C4	179.5°	180.0°
C6	C2	C1	S5	179.1°	179.8°
C6	C2	C1	H3	0.9°	0.0°
O7	C8	C3	H1	119.8°	120.0°
O7	C8	C3	H2	119.8°	119.9°
O7	C8	C3	C5	146.0°	135.0°
O7	C8	H1	H2	120.5°	120.0°
O7	C8	C3	H18	34.0°	45.0°
C8	C3	C5	H18	180.0°	180.0°
C3	C8	H1	H2	120.6°	120.1°
C8	C3	C5	H19	180.0°	179.9°
C8	C3	C5	H20	0.0°	0.0°
C2	N3	C4	CA	179.6°	180.0°
C2	N3	C4	S5	0.8°	0.0°
N3	C2	C1	S5	0.6°	0.4°
N3	C2	C1	H3	179.4°	179.7°
C4	N3	C2	C1	1.0°	0.3°
N3	C4	CA	S5	178.6°	180.0°
N3	C4	CA	CB	112.7°	105.0°
N3	C4	S5	C1	0.4°	0.2°
N3	C4	CA	H4	127.6°	15.0°
CD	CG	CB	H10	120.0°	120.1°
CD	CG	CB	H11	119.9°	120.0°
CD	CG	CB	CA	150.3°	180.0°
CD	CG	CB	H8	29.3°	59.9°
CD	CG	CB	H9	88.8°	60.0°
CD	CG	H10	H11	120.2°	120.0°
CG	CD	H12	H13	120.1°	120.0°
CG	CD	NE	H14	92.6°	0.0°
NH2	CZ	NE	H14	0.3°	180.0°
NH2	CZ	NH1	H16	0.0°	180.0°
NH2	CZ	NH1	H17	180.0°	0.0°
CG	CB	CA	C4	42.7°	174.9°
CG	CB	CA	H8	121.0°	120.0°
CG	CB	CA	H9	120.9°	120.0°
CG	CB	CA	H4	162.8°	55.0°
CG	CB	H8	H9	117.0°	119.9°
CB	CG	H10	H11	120.1°	119.9°
CB	CG	CD	H12	65.9°	60.0°
CB	CG	CD	H13	54.2°	60.0°
C2	C1	S5	C4	0.1°	0.3°
C2	C1	S5	H3	180.0°	179.9°
NH1	CZ	NE	H14	178.4°	0.0°
NH1	CZ	NH2	H15	0.0°	0.0°
CZ	NH1	H16	H17	180.0°	180.0°
C4	CA	CB	H4	120.1°	119.9°
CA	C4	S5	C1	179.3°	179.8°
C4	CA	N	H5	180.0°	60.0°
C4	CA	N	H6	60.0°	176.0°
C4	CA	CB	H8	163.6°	65.0°
C4	CA	CB	H9	78.2°	54.9°
CB	CA	C4	S5	68.7°	75.0°
CB	CA	N	H5	57.2°	60.0°
CB	CA	N	H6	177.2°	63.9°
CA	CB	H8	H9	117.1°	120.0°
CA	CB	CG	H10	89.7°	60.0°
CA	CB	CG	H11	30.4°	60.0°
C5	C3	C8	H1	94.3°	15.0°
C5	C3	C8	H2	26.2°	105.1°
C3	C5	H19	H20	180.0°	179.9°
C4	S5	C1	H3	179.9°	179.8°
S5	C4	CA	H4	51.0°	165.0°
H1	C8	C3	H18	85.8°	165.0°
H2	C8	C3	H18	153.8°	74.9°
H4	CA	N	H5	61.9°	180.0°
H4	CA	N	H6	58.1°	56.1°
H4	CA	CB	H8	76.2°	175.0°
H4	CA	CB	H9	41.9°	65.0°
H8	CB	CG	H10	149.3°	180.0°
H8	CB	CG	H11	90.6°	60.1°
H9	CB	CG	H10	31.2°	60.1°
H9	CB	CG	H11	151.3°	180.0°
H10	CG	CD	H12	174.2°	180.0°
H10	CG	CD	H13	65.7°	60.0°
H11	CG	CD	H12	54.0°	60.0°
H11	CG	CD	H13	174.1°	180.0°
H12	CD	NE	H14	27.3°	120.0°
H13	CD	NE	H14	147.4°	120.0°
H18	C3	C5	H19	0.0°	0.0°
H18	C3	C5	H20	180.0°	179.9°

Release date:	2015-09-23
Definition date:	2015-09-08
Last modified:	2015-09-18
Release status:	REL
Processing site:	RCSB
Derived from:	5DLY