O12

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CA	N	sing	1.47Å	1.45Å
N	HN	sing	1.01Å	1.00Å
N	HNA	sing	1.01Å	1.00Å
C	CA	sing	1.51Å	1.52Å
CA	CB	sing	1.53Å	1.53Å
CA	HA	sing	1.09Å	1.10Å
CB	CG	sing	1.53Å	1.52Å
CB	HB	sing	1.09Å	1.10Å
CB	HBA	sing	1.09Å	1.10Å
CG	CD	sing	1.53Å	1.53Å
CG	HG	sing	1.09Å	1.10Å
CG	HGA	sing	1.09Å	1.10Å
CD	NE	sing	1.46Å	1.42Å
CD	HD	sing	1.09Å	1.10Å
CD	HDA	sing	1.09Å	1.10Å
NE	C1	sing	1.35Å	1.37Å
NE	HNE	sing	0.97Å	1.00Å
C1	O1	doub	1.21Å	1.29Å
C1	C2	sing	1.51Å	1.51Å
C2	C3	sing	1.53Å	1.51Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.53Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	C7	sing	1.53Å	1.51Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.51Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	C9	sing	1.53Å	1.51Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C9	C10	sing	1.53Å	1.52Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C10	C11	sing	1.53Å	1.52Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C11	C12	sing	1.53Å	1.49Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C12	H12B	sing	1.09Å	1.10Å
O	C	doub	1.21Å	1.22Å
C	OXT	sing	1.34Å	1.32Å
OXT	HOXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	HN	109.5°	111.0°
CA	N	HNA	109.5°	111.1°
N	CA	C	111.5°	109.4°
N	CA	CB	109.5°	109.5°
N	CA	HA	108.4°	109.5°
HN	N	HNA	109.4°	110.9°
C	CA	CB	110.3°	109.5°
C	CA	HA	107.5°	109.5°
CA	C	O	117.4°	120.0°
CA	C	OXT	119.9°	120.0°
CB	CA	HA	109.6°	109.5°
CA	CB	CG	111.2°	109.5°
CA	CB	HB	108.9°	109.5°
CA	CB	HBA	108.5°	109.5°
CG	CB	HB	108.9°	109.4°
CG	CB	HBA	108.5°	109.5°
CB	CG	CD	104.0°	109.5°
CB	CG	HG	111.3°	109.4°
CB	CG	HGA	112.5°	109.5°
HB	CB	HBA	110.8°	109.5°
CD	CG	HG	111.3°	109.5°
CD	CG	HGA	112.5°	109.5°
CG	CD	NE	112.5°	109.5°
CG	CD	HD	108.5°	109.5°
CG	CD	HDA	107.8°	109.5°
HG	CG	HGA	105.3°	109.5°
NE	CD	HD	108.5°	109.4°
NE	CD	HDA	107.8°	109.5°
CD	NE	C1	115.7°	120.0°
CD	NE	HNE	122.2°	120.0°
HD	CD	HDA	111.8°	109.4°
C1	NE	HNE	122.1°	120.0°
NE	C1	O1	123.4°	120.0°
NE	C1	C2	105.7°	120.0°
O1	C1	C2	120.5°	120.0°
C1	C2	C3	118.9°	109.5°
C1	C2	H2	106.4°	109.5°
C1	C2	H2A	104.2°	109.5°
C3	C2	H2	106.5°	109.5°
C3	C2	H2A	104.2°	109.5°
C2	C3	C4	116.0°	109.5°
C2	C3	H3	107.4°	109.5°
C2	C3	H3A	105.8°	109.5°
H2	C2	H2A	117.2°	109.5°
C4	C3	H3	107.3°	109.4°
C4	C3	H3A	105.8°	109.5°
C3	C4	C5	110.5°	109.5°
C3	C4	H4	109.1°	109.5°
C3	C4	H4A	108.9°	109.5°
H3	C3	H3A	114.8°	109.5°
C5	C4	H4	109.1°	109.4°
C5	C4	H4A	108.9°	109.5°
C4	C5	C6	109.5°	109.5°
C4	C5	H5	109.4°	109.4°
C4	C5	H5A	109.4°	109.5°
H4	C4	H4A	110.3°	109.5°
C6	C5	H5	109.4°	109.5°
C6	C5	H5A	109.5°	109.5°
C5	C6	C7	111.5°	109.5°
C5	C6	H6	108.8°	109.4°
C5	C6	H6A	108.3°	109.4°
H5	C5	H5A	109.5°	109.5°
C7	C6	H6	108.8°	109.5°
C7	C6	H6A	108.3°	109.5°
C6	C7	C8	115.5°	109.5°
C6	C7	H7	107.5°	109.5°
C6	C7	H7A	106.1°	109.5°
H6	C6	H6A	111.1°	109.5°
C8	C7	H7	107.6°	109.5°
C8	C7	H7A	106.2°	109.5°
C7	C8	C9	113.3°	109.5°
C7	C8	H8	108.2°	109.5°
C7	C8	H8A	107.3°	109.5°
H7	C7	H7A	114.3°	109.4°
C9	C8	H8	108.2°	109.5°
C9	C8	H8A	107.4°	109.5°
C8	C9	C10	119.2°	109.5°
C8	C9	H9	106.4°	109.5°
C8	C9	H9A	104.1°	109.5°
H8	C8	H8A	112.5°	109.4°
C10	C9	H9	106.4°	109.4°
C10	C9	H9A	104.1°	109.5°
C9	C10	C11	109.0°	109.5°
C9	C10	H10	109.6°	109.5°
C9	C10	H10A	109.7°	109.5°
H9	C9	H9A	117.4°	109.5°
C11	C10	H10	109.6°	109.4°
C11	C10	H10A	109.8°	109.5°
C10	C11	C12	113.8°	109.5°
C10	C11	H11	108.0°	109.4°
C10	C11	H11A	107.1°	109.5°
H10	C10	H10A	109.1°	109.5°
C12	C11	H11	108.1°	109.5°
C12	C11	H11A	107.1°	109.5°
C11	C12	H12	109.5°	109.5°
C11	C12	H12A	109.5°	109.5°
C11	C12	H12B	109.4°	109.5°
H11	C11	H11A	112.9°	109.5°
H12	C12	H12A	109.5°	109.5°
H12	C12	H12B	109.5°	109.4°
H12A	C12	H12B	109.5°	109.4°
O	C	OXT	122.7°	120.0°
C	OXT	HOXT	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	HN	HNA	120.0°	124.0°
N	CA	C	CB	121.9°	120.0°
N	CA	C	HA	118.7°	120.0°
N	CA	CB	HA	118.7°	120.0°
N	CA	CB	CG	67.0°	65.0°
N	CA	CB	HB	53.0°	54.9°
N	CA	CB	HBA	173.8°	175.0°
N	CA	C	O	167.3°	19.9°
N	CA	C	OXT	14.6°	160.0°
HN	N	CA	C	74.3°	64.0°
HN	N	CA	CB	163.3°	176.1°
HN	N	CA	HA	43.9°	56.0°
HNA	N	CA	C	45.7°	60.0°
HNA	N	CA	CB	76.7°	60.0°
HNA	N	CA	HA	163.9°	180.0°
C	CA	CB	HA	118.2°	120.0°
C	CA	CB	CG	169.9°	175.0°
C	CA	CB	HB	70.1°	65.0°
C	CA	CB	HBA	50.7°	55.0°
CA	C	O	OXT	178.0°	179.9°
CA	C	OXT	HOXT	177.9°	180.0°
CA	CB	CG	HB	120.0°	120.0°
CA	CB	CG	HBA	119.3°	120.0°
CA	CB	HB	HBA	119.3°	120.0°
CA	CB	CG	CD	172.7°	180.0°
CA	CB	CG	HG	67.3°	60.0°
CA	CB	CG	HGA	50.6°	60.0°
CB	CA	C	O	70.8°	100.1°
CB	CA	C	OXT	107.2°	80.0°
HA	CA	CB	CG	51.7°	55.0°
HA	CA	CB	HB	171.7°	175.0°
HA	CA	CB	HBA	67.5°	65.0°
HA	CA	C	O	48.7°	139.9°
HA	CA	C	OXT	133.3°	40.0°
CG	CB	HB	HBA	119.3°	120.0°
CB	CG	CD	HG	120.0°	120.0°
CB	CG	CD	HGA	122.0°	120.0°
CB	CG	HG	HGA	122.2°	120.0°
CB	CG	CD	NE	172.8°	180.0°
CB	CG	CD	HD	67.2°	60.0°
CB	CG	CD	HDA	54.1°	60.0°
HB	CB	CG	CD	52.7°	60.0°
HB	CB	CG	HG	172.7°	180.0°
HB	CB	CG	HGA	69.4°	60.0°
HBA	CB	CG	CD	68.0°	60.0°
HBA	CB	CG	HG	51.9°	60.0°
HBA	CB	CG	HGA	169.9°	180.0°
CD	CG	HG	HGA	122.3°	120.0°
CG	CD	NE	HD	120.0°	120.0°
CG	CD	NE	HDA	118.7°	120.0°
CG	CD	HD	HDA	118.8°	120.0°
CG	CD	NE	C1	164.8°	180.0°
CG	CD	NE	HNE	15.2°	0.0°
HG	CG	CD	NE	52.8°	60.0°
HG	CG	CD	HD	172.8°	180.0°
HG	CG	CD	HDA	65.9°	60.0°
HGA	CG	CD	NE	65.2°	60.0°
HGA	CG	CD	HD	54.8°	60.0°
HGA	CG	CD	HDA	176.1°	180.0°
NE	CD	HD	HDA	118.8°	120.0°
CD	NE	C1	HNE	180.0°	180.0°
CD	NE	C1	O1	24.4°	0.0°
CD	NE	C1	C2	169.2°	180.0°
HD	CD	NE	C1	75.2°	60.0°
HD	CD	NE	HNE	104.8°	120.1°
HDA	CD	NE	C1	46.0°	60.0°
HDA	CD	NE	HNE	133.9°	120.0°
NE	C1	O1	C2	140.0°	180.0°
NE	C1	C2	C3	120.8°	180.0°
NE	C1	C2	H2	119.2°	60.0°
NE	C1	C2	H2A	5.3°	60.0°
HNE	NE	C1	O1	155.6°	180.0°
HNE	NE	C1	C2	10.8°	0.0°
O1	C1	C2	C3	25.3°	0.0°
O1	C1	C2	H2	94.7°	120.0°
O1	C1	C2	H2A	140.8°	120.0°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	H2A	115.5°	120.0°
C1	C2	H2	H2A	116.1°	120.0°
C1	C2	C3	C4	103.2°	180.0°
C1	C2	C3	H3	16.8°	60.0°
C1	C2	C3	H3A	139.8°	60.0°
C3	C2	H2	H2A	116.1°	120.0°
C2	C3	C4	H3	120.0°	120.0°
C2	C3	C4	H3A	117.0°	120.0°
C2	C3	H3	H3A	117.3°	120.0°
C2	C3	C4	C5	179.3°	180.0°
C2	C3	C4	H4	60.7°	60.0°
C2	C3	C4	H4A	59.7°	60.0°
H2	C2	C3	C4	136.9°	60.0°
H2	C2	C3	H3	103.2°	180.0°
H2	C2	C3	H3A	19.9°	60.0°
H2A	C2	C3	C4	12.3°	60.0°
H2A	C2	C3	H3	132.3°	60.0°
H2A	C2	C3	H3A	104.7°	NaN°
C4	C3	H3	H3A	117.3°	120.0°
C3	C4	C5	H4	120.0°	120.0°
C3	C4	C5	H4A	119.6°	120.0°
C3	C4	H4	H4A	119.6°	120.0°
C3	C4	C5	C6	152.9°	180.0°
C3	C4	C5	H5	32.9°	60.0°
C3	C4	C5	H5A	87.1°	60.0°
H3	C3	C4	C5	59.3°	60.0°
H3	C3	C4	H4	179.3°	180.0°
H3	C3	C4	H4A	60.3°	60.0°
H3A	C3	C4	C5	63.7°	60.0°
H3A	C3	C4	H4	56.3°	60.0°
H3A	C3	C4	H4A	176.7°	180.0°
C5	C4	H4	H4A	119.6°	120.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	120.0°	120.0°
C4	C5	H5	H5A	120.0°	120.0°
C4	C5	C6	C7	157.7°	180.0°
C4	C5	C6	H6	82.2°	60.0°
C4	C5	C6	H6A	38.6°	60.0°
H4	C4	C5	C6	87.1°	60.0°
H4	C4	C5	H5	152.9°	180.0°
H4	C4	C5	H5A	32.9°	60.0°
H4A	C4	C5	C6	33.3°	60.0°
H4A	C4	C5	H5	86.6°	60.0°
H4A	C4	C5	H5A	153.3°	180.0°
C6	C5	H5	H5A	120.0°	120.0°
C5	C6	C7	H6	120.0°	120.0°
C5	C6	C7	H6A	119.1°	120.0°
C5	C6	H6	H6A	119.1°	119.9°
C5	C6	C7	C8	117.6°	180.0°
C5	C6	C7	H7	122.4°	60.0°
C5	C6	C7	H7A	0.3°	60.0°
H5	C5	C6	C7	37.8°	60.0°
H5	C5	C6	H6	157.8°	180.0°
H5	C5	C6	H6A	81.4°	60.0°
H5A	C5	C6	C7	82.3°	60.0°
H5A	C5	C6	H6	37.7°	60.0°
H5A	C5	C6	H6A	158.6°	180.0°
C7	C6	H6	H6A	119.2°	120.1°
C6	C7	C8	H7	120.0°	120.0°
C6	C7	C8	H7A	117.3°	120.0°
C6	C7	H7	H7A	117.5°	120.0°
C6	C7	C8	C9	141.7°	180.0°
C6	C7	C8	H8	98.3°	59.9°
C6	C7	C8	H8A	23.4°	60.0°
H6	C6	C7	C8	2.4°	60.0°
H6	C6	C7	H7	117.6°	179.9°
H6	C6	C7	H7A	119.7°	60.0°
H6A	C6	C7	C8	123.3°	60.0°
H6A	C6	C7	H7	3.3°	60.0°
H6A	C6	C7	H7A	119.4°	179.9°
C8	C7	H7	H7A	117.6°	120.0°
C7	C8	C9	H8	120.0°	120.0°
C7	C8	C9	H8A	118.3°	120.0°
C7	C8	H8	H8A	118.4°	119.9°
C7	C8	C9	C10	132.6°	180.0°
C7	C8	C9	H9	107.3°	60.0°
C7	C8	C9	H9A	17.3°	60.0°
H7	C7	C8	C9	21.7°	60.0°
H7	C7	C8	H8	141.7°	180.0°
H7	C7	C8	H8A	96.6°	60.1°
H7A	C7	C8	C9	101.0°	60.0°
H7A	C7	C8	H8	19.0°	60.1°
H7A	C7	C8	H8A	140.7°	NaN°
C9	C8	H8	H8A	118.4°	120.0°
C8	C9	C10	H9	120.0°	120.0°
C8	C9	C10	H9A	115.3°	120.0°
C8	C9	H9	H9A	116.0°	120.0°
C8	C9	C10	C11	123.6°	180.0°
C8	C9	C10	H10	3.6°	60.0°
C8	C9	C10	H10A	116.2°	60.0°
H8	C8	C9	C10	12.7°	60.0°
H8	C8	C9	H9	132.7°	179.9°
H8	C8	C9	H9A	102.7°	60.0°
H8A	C8	C9	C10	109.0°	60.0°
H8A	C8	C9	H9	11.0°	60.0°
H8A	C8	C9	H9A	135.6°	180.0°
C10	C9	H9	H9A	116.0°	120.0°
C9	C10	C11	H10	120.0°	120.0°
C9	C10	C11	H10A	120.2°	120.0°
C9	C10	H10	H10A	120.2°	120.0°
C9	C10	C11	C12	169.0°	180.0°
C9	C10	C11	H11	71.0°	60.0°
C9	C10	C11	H11A	50.9°	60.0°
H9	C9	C10	C11	116.4°	60.0°
H9	C9	C10	H10	123.6°	180.0°
H9	C9	C10	H10A	3.8°	60.0°
H9A	C9	C10	C11	8.2°	60.0°
H9A	C9	C10	H10	111.8°	60.0°
H9A	C9	C10	H10A	128.4°	180.0°
C11	C10	H10	H10A	120.2°	120.0°
C10	C11	C12	H11	120.0°	120.0°
C10	C11	C12	H11A	118.1°	120.0°
C10	C11	H11	H11A	118.2°	120.0°
C10	C11	C12	H12	45.8°	60.0°
C10	C11	C12	H12A	165.8°	60.0°
C10	C11	C12	H12B	74.2°	180.0°
H10	C10	C11	C12	49.0°	60.0°
H10	C10	C11	H11	169.0°	180.0°
H10	C10	C11	H11A	69.1°	60.0°
H10A	C10	C11	C12	70.8°	60.0°
H10A	C10	C11	H11	49.2°	60.0°
H10A	C10	C11	H11A	171.1°	180.0°
C12	C11	H11	H11A	118.2°	120.0°
C11	C12	H12	H12A	120.0°	120.1°
C11	C12	H12	H12B	120.0°	120.0°
C11	C12	H12A	H12B	120.0°	120.0°
H11	C11	C12	H12	74.2°	180.0°
H11	C11	C12	H12A	45.8°	59.9°
H11	C11	C12	H12B	165.8°	60.1°
H11A	C11	C12	H12	163.9°	60.0°
H11A	C11	C12	H12A	76.1°	180.0°
H11A	C11	C12	H12B	43.9°	60.0°
H12	C12	H12A	H12B	120.0°	119.9°
O	C	OXT	HOXT	0.0°	0.1°

Definition date:	2008-02-25
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	3CAY