1E3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.23Å
C	CA	sing	1.51Å	1.53Å
CA	N	sing	1.47Å	1.47Å
CA	CB	sing	1.53Å	1.53Å
CB	CAJ	sing	1.53Å	1.53Å
CAJ	CAI	sing	1.53Å	1.53Å
CAI	CAH	sing	1.53Å	1.53Å
CAH	CAG	sing	1.53Å	1.53Å
CAF	CAG	sing	1.53Å	1.53Å
CAF	CAE	sing	1.53Å	1.53Å
NAA	CAE	sing	1.47Å	1.47Å
C	OXT	sing	1.34Å	1.26Å
CA	HA	sing	1.09Å	1.10Å
N	H2	sing	1.01Å	1.00Å
N	H	sing	1.01Å	1.00Å
CB	H5	sing	1.09Å	1.10Å
CB	H6	sing	1.09Å	1.10Å
CAJ	H7	sing	1.09Å	1.10Å
CAJ	H8	sing	1.09Å	1.10Å
CAI	H9	sing	1.09Å	1.10Å
CAI	H10	sing	1.09Å	1.10Å
CAH	H11	sing	1.09Å	1.10Å
CAH	H12	sing	1.09Å	1.10Å
CAG	H13	sing	1.09Å	1.10Å
CAG	H14	sing	1.09Å	1.10Å
CAF	H15	sing	1.09Å	1.10Å
CAF	H16	sing	1.09Å	1.10Å
CAE	H17	sing	1.09Å	1.10Å
CAE	H18	sing	1.09Å	1.10Å
NAA	H19	sing	1.01Å	1.00Å
NAA	H20	sing	1.01Å	1.00Å
OXT	HXT	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	121.0°	120.0°
O	C	OXT	118.1°	120.0°
C	CA	N	109.5°	109.5°
C	CA	CB	109.5°	109.5°
CA	C	OXT	115.1°	120.0°
C	CA	HA	108.7°	109.4°
N	CA	CB	111.0°	109.5°
N	CA	HA	109.5°	109.4°
CA	N	H2	109.5°	111.0°
CA	N	H	109.5°	111.0°
CA	CB	CAJ	109.5°	109.5°
CB	CA	HA	108.6°	109.5°
CA	CB	H5	109.5°	109.4°
CA	CB	H6	109.4°	109.5°
CB	CAJ	CAI	109.5°	109.5°
CAJ	CB	H5	109.4°	109.5°
CAJ	CB	H6	109.5°	109.5°
CB	CAJ	H7	109.4°	109.4°
CB	CAJ	H8	109.5°	109.5°
CAJ	CAI	CAH	109.5°	109.5°
CAI	CAJ	H7	109.5°	109.5°
CAI	CAJ	H8	109.4°	109.5°
CAJ	CAI	H9	109.4°	109.5°
CAJ	CAI	H10	109.5°	109.5°
CAI	CAH	CAG	109.5°	109.5°
CAH	CAI	H9	109.5°	109.5°
CAH	CAI	H10	109.4°	109.5°
CAI	CAH	H11	109.5°	109.5°
CAI	CAH	H12	109.5°	109.4°
CAH	CAG	CAF	109.5°	109.5°
CAG	CAH	H11	109.5°	109.5°
CAG	CAH	H12	109.4°	109.4°
CAH	CAG	H13	109.5°	109.5°
CAH	CAG	H14	109.5°	109.4°
CAG	CAF	CAE	109.5°	109.4°
CAF	CAG	H13	109.4°	109.5°
CAF	CAG	H14	109.5°	109.5°
CAG	CAF	H15	109.4°	109.5°
CAG	CAF	H16	109.5°	109.5°
CAF	CAE	NAA	111.0°	109.5°
CAE	CAF	H15	109.5°	109.4°
CAE	CAF	H16	109.4°	109.5°
CAF	CAE	H17	109.1°	109.5°
CAF	CAE	H18	109.1°	109.5°
NAA	CAE	H17	109.1°	109.5°
NAA	CAE	H18	109.1°	109.4°
CAE	NAA	H19	109.5°	111.0°
CAE	NAA	H20	109.4°	111.0°
C	OXT	HXT	109.5°	117.0°
H2	N	H	109.4°	111.0°
H5	CB	H6	109.5°	109.5°
H7	CAJ	H8	109.5°	109.5°
H9	CAI	H10	109.5°	109.4°
H11	CAH	H12	109.5°	109.5°
H13	CAG	H14	109.5°	109.5°
H15	CAF	H16	109.5°	109.5°
H17	CAE	H18	109.5°	109.5°
H19	NAA	H20	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	OXT	152.5°	179.7°
O	C	CA	N	52.5°	20.0°
O	C	CA	CB	69.5°	100.0°
O	C	CA	HA	172.0°	140.0°
O	C	OXT	HXT	0.0°	0.1°
C	CA	N	CB	121.1°	120.1°
C	CA	N	HA	119.0°	119.9°
C	CA	CB	HA	118.5°	120.0°
C	CA	CB	CAJ	157.6°	175.0°
C	CA	N	H2	180.0°	60.1°
C	CA	N	H	60.0°	176.0°
C	CA	CB	H5	37.6°	65.0°
C	CA	CB	H6	82.4°	54.9°
CA	C	OXT	HXT	153.3°	179.7°
N	CA	CB	HA	120.4°	120.0°
N	CA	CB	CAJ	36.6°	65.0°
N	CA	C	OXT	155.1°	160.3°
CA	N	H2	H	120.0°	123.9°
N	CA	CB	H5	83.4°	55.0°
N	CA	CB	H6	156.6°	175.0°
CA	CB	CAJ	H5	120.0°	119.9°
CA	CB	CAJ	H6	120.0°	120.0°
CA	CB	CAJ	CAI	169.7°	180.0°
CB	CA	C	OXT	83.0°	79.6°
CB	CA	N	H2	58.9°	60.0°
CB	CA	N	H	178.9°	63.9°
CA	CB	H5	H6	120.0°	120.0°
CA	CB	CAJ	H7	70.3°	60.0°
CA	CB	CAJ	H8	49.7°	60.0°
CB	CAJ	CAI	H7	120.0°	120.0°
CB	CAJ	CAI	H8	120.0°	120.0°
CB	CAJ	CAI	CAH	116.4°	180.0°
CAJ	CB	CA	HA	83.8°	55.0°
CAJ	CB	H5	H6	120.0°	120.0°
CB	CAJ	H7	H8	120.0°	120.0°
CB	CAJ	CAI	H9	123.6°	60.0°
CB	CAJ	CAI	H10	3.6°	60.0°
CAJ	CAI	CAH	H9	120.0°	120.0°
CAJ	CAI	CAH	H10	120.0°	120.0°
CAJ	CAI	CAH	CAG	174.7°	180.0°
CAI	CAJ	CB	H5	49.7°	60.0°
CAI	CAJ	CB	H6	70.3°	60.0°
CAI	CAJ	H7	H8	120.0°	120.0°
CAJ	CAI	H9	H10	120.0°	120.0°
CAJ	CAI	CAH	H11	54.7°	60.0°
CAJ	CAI	CAH	H12	65.3°	60.0°
CAI	CAH	CAG	H11	120.0°	120.1°
CAI	CAH	CAG	H12	120.0°	120.0°
CAI	CAH	CAG	CAF	99.9°	180.0°
CAH	CAI	CAJ	H7	3.6°	60.0°
CAH	CAI	CAJ	H8	123.6°	60.0°
CAH	CAI	H9	H10	120.0°	120.0°
CAI	CAH	H11	H12	120.0°	120.0°
CAI	CAH	CAG	H13	140.1°	59.9°
CAI	CAH	CAG	H14	20.1°	60.0°
CAH	CAG	CAF	H13	120.0°	120.0°
CAH	CAG	CAF	H14	120.0°	119.9°
CAH	CAG	CAF	CAE	152.3°	180.0°
CAG	CAH	CAI	H9	65.3°	60.0°
CAG	CAH	CAI	H10	54.7°	60.0°
CAG	CAH	H11	H12	120.0°	120.0°
CAH	CAG	H13	H14	120.0°	119.9°
CAH	CAG	CAF	H15	87.7°	60.0°
CAH	CAG	CAF	H16	32.3°	60.0°
CAG	CAF	CAE	H15	120.0°	120.0°
CAG	CAF	CAE	H16	120.0°	120.0°
CAG	CAF	CAE	NAA	156.8°	180.0°
CAF	CAG	CAH	H11	20.1°	60.0°
CAF	CAG	CAH	H12	140.1°	60.0°
CAF	CAG	H13	H14	120.0°	120.1°
CAG	CAF	H15	H16	120.0°	120.0°
CAG	CAF	CAE	H17	36.6°	60.0°
CAG	CAF	CAE	H18	83.0°	60.0°
CAF	CAE	NAA	H17	120.3°	120.1°
CAF	CAE	NAA	H18	120.2°	120.0°
CAE	CAF	CAG	H13	32.3°	60.0°
CAE	CAF	CAG	H14	87.7°	60.1°
CAE	CAF	H15	H16	120.0°	120.0°
CAF	CAE	H17	H18	119.3°	120.0°
CAF	CAE	NAA	H19	180.0°	56.1°
CAF	CAE	NAA	H20	60.0°	180.0°
NAA	CAE	CAF	H15	83.2°	60.0°
NAA	CAE	CAF	H16	36.8°	60.0°
NAA	CAE	H17	H18	119.3°	120.0°
CAE	NAA	H19	H20	120.0°	124.0°
OXT	C	CA	HA	35.6°	40.4°
HA	CA	N	H2	61.0°	180.0°
HA	CA	N	H	59.0°	56.1°
HA	CA	CB	H5	156.2°	175.0°
HA	CA	CB	H6	36.2°	65.1°
H5	CB	CAJ	H7	169.7°	180.0°
H5	CB	CAJ	H8	70.3°	59.9°
H6	CB	CAJ	H7	49.7°	60.0°
H6	CB	CAJ	H8	169.7°	180.0°
H7	CAJ	CAI	H9	116.4°	179.9°
H7	CAJ	CAI	H10	123.6°	60.0°
H8	CAJ	CAI	H9	3.6°	60.0°
H8	CAJ	CAI	H10	116.4°	179.9°
H9	CAI	CAH	H11	174.7°	180.0°
H9	CAI	CAH	H12	54.7°	60.0°
H10	CAI	CAH	H11	65.3°	60.0°
H10	CAI	CAH	H12	174.7°	179.9°
H11	CAH	CAG	H13	99.9°	180.0°
H11	CAH	CAG	H14	140.1°	60.1°
H12	CAH	CAG	H13	20.1°	60.0°
H12	CAH	CAG	H14	99.9°	180.0°
H13	CAG	CAF	H15	152.3°	179.9°
H13	CAG	CAF	H16	87.7°	60.0°
H14	CAG	CAF	H15	32.3°	59.9°
H14	CAG	CAF	H16	152.3°	180.0°
H15	CAF	CAE	H17	156.5°	180.0°
H15	CAF	CAE	H18	37.0°	60.0°
H16	CAF	CAE	H17	83.5°	60.0°
H16	CAF	CAE	H18	157.0°	180.0°
H17	CAE	NAA	H19	59.7°	64.0°
H17	CAE	NAA	H20	179.7°	59.9°
H18	CAE	NAA	H19	59.8°	176.0°
H18	CAE	NAA	H20	60.2°	60.0°

Release date:	2013-03-06
Definition date:	2012-12-18
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	4I80