C6D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.46Å
C03	O2	sing	1.43Å	1.39Å
C03	C01	sing	1.53Å	1.50Å
C01	C02	sing	1.53Å	1.50Å
CA	C	sing	1.51Å	1.53Å
CA	CB	sing	1.53Å	1.54Å
C02	NH2	sing	1.46Å	1.46Å
CG	CB	sing	1.53Å	1.52Å
CG	CD	sing	1.53Å	1.51Å
C	O	doub	1.21Å	1.23Å
NE	CD	sing	1.47Å	1.45Å
NE	CZ	sing	1.38Å	1.32Å
NH2	CZ	sing	1.37Å	1.33Å
CZ	NH1	doub	1.30Å	1.32Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	HA	sing	1.09Å	1.10Å
CB	H6	sing	1.09Å	1.10Å
CB	H7	sing	1.09Å	1.10Å
CG	H8	sing	1.09Å	1.10Å
CG	H9	sing	1.09Å	1.10Å
CD	H10	sing	1.09Å	1.10Å
CD	H11	sing	1.09Å	1.10Å
NE	H12	sing	0.97Å	1.00Å
NH1	H13	sing	0.97Å	1.00Å
NH2	H14	sing	0.97Å	1.00Å
C01	H15	sing	1.09Å	1.10Å
C01	H16	sing	1.09Å	1.10Å
C02	H17	sing	1.09Å	1.10Å
C02	H18	sing	1.09Å	1.10Å
C03	H19	sing	1.09Å	1.10Å
C03	H20	sing	1.09Å	1.10Å
O2	H21	sing	0.97Å	0.95Å
C	OXT	sing	1.34Å	1.32Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	CA	C	110.1°	109.5°
N	CA	CB	111.4°	109.5°
CA	N	H	109.5°	111.0°
CA	N	H2	109.5°	111.0°
N	CA	HA	108.9°	109.4°
O2	C03	C01	109.1°	109.4°
O2	C03	H19	109.6°	109.5°
O2	C03	H20	109.6°	109.5°
C03	O2	H21	109.5°	114.0°
C03	C01	C02	110.6°	109.5°
C03	C01	H15	109.2°	109.5°
C03	C01	H16	109.2°	109.5°
C01	C03	H19	109.5°	109.4°
C01	C03	H20	109.6°	109.5°
C01	C02	NH2	108.3°	109.5°
C02	C01	H15	109.2°	109.5°
C02	C01	H16	109.2°	109.4°
C01	C02	H17	109.8°	109.4°
C01	C02	H18	109.8°	109.4°
C	CA	CB	110.3°	109.5°
CA	C	O	120.8°	120.0°
C	CA	HA	108.1°	109.4°
CA	C	OXT	116.3°	120.0°
CA	CB	CG	113.8°	109.5°
CB	CA	HA	107.9°	109.5°
CA	CB	H6	108.4°	109.4°
CA	CB	H7	108.4°	109.5°
C02	NH2	CZ	121.9°	120.0°
C02	NH2	H14	119.1°	120.0°
NH2	C02	H17	109.8°	109.5°
NH2	C02	H18	109.8°	109.5°
CB	CG	CD	109.8°	109.5°
CG	CB	H6	108.4°	109.5°
CG	CB	H7	108.4°	109.4°
CB	CG	H8	109.4°	109.5°
CB	CG	H9	109.4°	109.5°
CG	CD	NE	112.2°	109.5°
CD	CG	H8	109.4°	109.5°
CD	CG	H9	109.4°	109.5°
CG	CD	H10	108.8°	109.5°
CG	CD	H11	108.8°	109.5°
O	C	OXT	122.9°	119.9°
CD	NE	CZ	123.3°	120.0°
NE	CD	H10	108.8°	109.4°
NE	CD	H11	108.8°	109.5°
CD	NE	H12	118.3°	120.0°
NE	CZ	NH2	122.4°	120.0°
NE	CZ	NH1	117.3°	120.0°
CZ	NE	H12	118.4°	120.0°
NH2	CZ	NH1	120.3°	120.0°
CZ	NH2	H14	119.0°	120.0°
CZ	NH1	H13	112.0°	120.0°
H	N	H2	109.4°	111.0°
H6	CB	H7	109.5°	109.5°
H8	CG	H9	109.5°	109.5°
H10	CD	H11	109.4°	109.5°
H15	C01	H16	109.5°	109.4°
H17	C02	H18	109.4°	109.5°
H19	C03	H20	109.5°	109.5°
C	OXT	HXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	CA	C	CB	123.3°	120.0°
N	CA	C	HA	118.9°	119.9°
N	CA	CB	HA	119.5°	120.0°
N	CA	CB	CG	54.3°	65.0°
N	CA	C	O	144.7°	20.1°
CA	N	H	H2	120.0°	123.9°
N	CA	CB	H6	66.4°	55.0°
N	CA	CB	H7	174.9°	175.0°
N	CA	C	OXT	35.4°	160.0°
O2	C03	C01	H19	119.9°	120.0°
O2	C03	C01	H20	119.9°	120.0°
O2	C03	C01	C02	115.1°	180.0°
O2	C03	C01	H15	5.1°	60.0°
O2	C03	C01	H16	124.7°	60.0°
O2	C03	H19	H20	120.2°	120.1°
C03	C01	C02	H15	120.2°	120.0°
C03	C01	C02	H16	120.1°	120.0°
C03	C01	C02	NH2	171.0°	180.0°
C03	C01	H15	H16	119.5°	120.0°
C03	C01	C02	H17	69.2°	60.0°
C03	C01	C02	H18	51.2°	60.0°
C01	C03	H19	H20	120.2°	120.0°
C01	C03	O2	H21	180.0°	180.0°
C01	C02	NH2	H17	119.8°	120.0°
C01	C02	NH2	H18	119.8°	120.0°
C01	C02	NH2	CZ	160.7°	180.0°
C01	C02	NH2	H14	19.3°	0.0°
C02	C01	H15	H16	119.5°	119.9°
C01	C02	H17	H18	120.6°	119.9°
C02	C01	C03	H19	125.0°	60.0°
C02	C01	C03	H20	4.8°	60.0°
C	CA	CB	HA	117.9°	120.0°
C	CA	CB	CG	176.9°	175.0°
CA	C	O	OXT	179.8°	179.9°
C	CA	N	H	180.0°	63.9°
C	CA	N	H2	60.0°	60.0°
C	CA	CB	H6	56.2°	65.0°
C	CA	CB	H7	62.5°	55.0°
CA	C	OXT	HXT	179.8°	180.0°
CA	CB	CG	H6	120.6°	120.0°
CA	CB	CG	H7	120.7°	120.0°
CA	CB	CG	CD	156.8°	180.0°
CB	CA	C	O	21.4°	100.0°
CB	CA	N	H	57.3°	176.1°
CB	CA	N	H2	177.3°	60.0°
CA	CB	H6	H7	118.0°	120.0°
CA	CB	CG	H8	36.7°	60.0°
CA	CB	CG	H9	83.2°	60.0°
CB	CA	C	OXT	158.8°	80.0°
C02	NH2	CZ	NE	0.2°	180.0°
C02	NH2	CZ	H14	180.0°	179.9°
C02	NH2	CZ	NH1	179.7°	0.0°
NH2	C02	C01	H15	50.8°	60.0°
NH2	C02	C01	H16	68.8°	60.0°
NH2	C02	H17	H18	120.5°	120.0°
CB	CG	CD	H8	120.1°	120.0°
CB	CG	CD	H9	120.0°	120.0°
CB	CG	CD	NE	178.0°	180.0°
CG	CB	CA	HA	65.2°	55.0°
CG	CB	H6	H7	118.0°	120.0°
CB	CG	H8	H9	119.8°	120.0°
CB	CG	CD	H10	57.6°	60.0°
CB	CG	CD	H11	61.5°	60.0°
CG	CD	NE	H10	120.4°	120.0°
CG	CD	NE	H11	120.4°	120.0°
CG	CD	NE	CZ	175.7°	180.0°
CD	CG	CB	H6	82.6°	60.0°
CD	CG	CB	H7	36.1°	60.0°
CD	CG	H8	H9	119.9°	120.0°
CG	CD	H10	H11	118.8°	120.0°
CG	CD	NE	H12	4.3°	0.0°
O	C	CA	HA	96.4°	140.0°
O	C	OXT	HXT	0.0°	0.0°
CD	NE	CZ	H12	180.0°	179.9°
CD	NE	CZ	NH2	179.8°	180.0°
CD	NE	CZ	NH1	0.4°	0.1°
NE	CD	CG	H8	61.9°	60.0°
NE	CD	CG	H9	58.0°	60.0°
NE	CD	H10	H11	118.8°	120.0°
NE	CZ	NH2	NH1	179.9°	180.0°
CZ	NE	CD	H10	55.3°	60.0°
CZ	NE	CD	H11	63.9°	60.0°
NE	CZ	NH1	H13	179.9°	180.0°
NE	CZ	NH2	H14	179.8°	0.0°
NH2	CZ	NE	H12	0.3°	0.0°
NH2	CZ	NH1	H13	0.0°	0.0°
CZ	NH2	C02	H17	40.8°	60.0°
CZ	NH2	C02	H18	79.5°	60.0°
NH1	CZ	NE	H12	179.6°	180.0°
NH1	CZ	NH2	H14	0.3°	180.0°
H	N	CA	HA	61.6°	56.0°
H2	N	CA	HA	58.4°	180.0°
HA	CA	CB	H6	174.1°	175.0°
HA	CA	CB	H7	55.4°	65.0°
HA	CA	C	OXT	83.5°	40.1°
H6	CB	CG	H8	157.4°	180.0°
H6	CB	CG	H9	37.5°	60.0°
H7	CB	CG	H8	83.9°	60.0°
H7	CB	CG	H9	156.2°	180.0°
H8	CG	CD	H10	177.7°	180.0°
H8	CG	CD	H11	58.5°	60.0°
H9	CG	CD	H10	62.4°	60.0°
H9	CG	CD	H11	178.4°	180.0°
H10	CD	NE	H12	124.7°	120.0°
H11	CD	NE	H12	116.1°	120.0°
H14	NH2	C02	H17	139.2°	120.0°
H14	NH2	C02	H18	100.5°	120.0°
H15	C01	C02	H17	170.7°	180.0°
H15	C01	C02	H18	69.0°	60.1°
H15	C01	C03	H19	114.9°	179.9°
H15	C01	C03	H20	125.0°	60.0°
H16	C01	C02	H17	51.0°	60.1°
H16	C01	C02	H18	171.3°	180.0°
H16	C01	C03	H19	4.8°	60.0°
H16	C01	C03	H20	115.3°	180.0°
H19	C03	O2	H21	60.1°	60.0°
H20	C03	O2	H21	60.1°	60.0°

Release date:	2017-12-13
Definition date:	2017-09-13
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	6AZK