SXE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.44Å	1.47Å
CA	C	sing	1.51Å	1.53Å
C	O	doub	1.22Å	1.23Å
CA	CB	sing	1.52Å	1.52Å
CB	OG	sing	1.42Å	1.44Å
OG	P1	sing	1.63Å	1.63Å
O1	P1	doub	1.51Å	1.60Å
P1	N1	sing	1.66Å	1.81Å
N1	C1	sing	1.46Å	1.48Å
C1	C3	sing	1.52Å	1.53Å
C1	C2	sing	1.52Å	1.52Å
P1	O2	sing	1.63Å	1.62Å
O2	C4	sing	1.42Å	1.44Å
C4	C5	sing	1.51Å	1.51Å
C	OXT	sing	1.36Å	1.33Å
N	HN1	sing	1.01Å	1.02Å
N	HN2	sing	1.01Å	1.02Å
CA	HA	sing	1.10Å	1.11Å
CB	HBC1	sing	1.09Å	1.11Å
CB	HBC2	sing	1.10Å	1.12Å
OXT	HOT	sing	0.98Å	0.95Å
N1	H1	sing	1.02Å	1.02Å
C1	HB	sing	1.10Å	1.11Å
C3	H3C1	sing	1.09Å	1.12Å
C3	H3C2	sing	1.10Å	1.11Å
C3	H3C3	sing	1.10Å	1.11Å
C2	H2C1	sing	1.10Å	1.12Å
C2	H2C2	sing	1.10Å	1.11Å
C2	H2C3	sing	1.10Å	1.11Å
C4	H4C1	sing	1.09Å	1.11Å
C4	H4C2	sing	1.09Å	1.11Å
C5	H5C1	sing	1.09Å	1.11Å
C5	H5C2	sing	1.09Å	1.11Å
C5	H5C3	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	CA	C	111.6°	107.4°
N	CA	CB	111.5°	111.7°
CA	N	HN1	111.4°	118.9°
CA	N	HN2	111.6°	119.0°
N	CA	HA	107.9°	105.3°
CA	C	O	118.8°	125.1°
C	CA	CB	113.2°	110.6°
CA	C	OXT	118.7°	111.9°
C	CA	HA	106.0°	110.0°
O	C	OXT	122.5°	122.9°
CA	CB	OG	113.1°	109.2°
CB	CA	HA	106.1°	111.7°
CA	CB	HBC1	110.9°	111.0°
CA	CB	HBC2	110.9°	111.6°
CB	OG	P1	102.6°	118.9°
OG	CB	HBC1	110.8°	107.8°
OG	CB	HBC2	110.9°	108.7°
OG	P1	O1	94.8°	111.8°
OG	P1	N1	105.4°	106.1°
OG	P1	O2	126.2°	102.4°
O1	P1	N1	110.8°	116.3°
O1	P1	O2	106.8°	111.3°
P1	N1	C1	130.3°	118.9°
N1	P1	O2	111.3°	107.8°
P1	N1	H1	105.0°	116.0°
N1	C1	C3	112.7°	109.1°
N1	C1	C2	112.7°	108.9°
C1	N1	H1	104.9°	108.6°
N1	C1	HB	104.2°	108.0°
C3	C1	C2	107.3°	111.8°
C3	C1	HB	109.9°	109.6°
C1	C3	H3C1	111.0°	110.9°
C1	C3	H3C2	111.0°	111.4°
C1	C3	H3C3	112.7°	110.8°
C2	C1	HB	110.0°	109.5°
C1	C2	H2C1	111.0°	110.8°
C1	C2	H2C2	111.0°	110.9°
C1	C2	H2C3	112.7°	111.4°
P1	O2	C4	123.2°	120.5°
O2	C4	C5	113.1°	109.0°
O2	C4	H4C1	110.9°	108.8°
O2	C4	H4C2	110.9°	108.8°
C5	C4	H4C1	110.9°	110.6°
C5	C4	H4C2	110.9°	110.6°
C4	C5	H5C1	110.9°	110.9°
C4	C5	H5C2	110.9°	110.7°
C4	C5	H5C3	113.0°	110.6°
C	OXT	HOT	118.7°	115.2°
HN1	N	HN2	111.4°	120.6°
HBC1	CB	HBC2	99.4°	108.4°
H3C1	C3	H3C2	99.3°	108.2°
H3C1	C3	H3C3	111.0°	108.0°
H3C2	C3	H3C3	111.0°	107.4°
H2C1	C2	H2C2	99.3°	108.1°
H2C1	C2	H2C3	111.0°	107.5°
H2C2	C2	H2C3	111.0°	108.1°
H4C1	C4	H4C2	99.4°	109.1°
H5C1	C5	H5C2	99.4°	108.8°
H5C1	C5	H5C3	110.9°	108.8°
H5C2	C5	H5C3	110.9°	107.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	CA	C	CB	126.9°	122.1°
N	CA	C	HA	117.3°	114.1°
N	CA	C	O	68.2°	36.0°
N	CA	CB	HA	117.2°	117.6°
N	CA	CB	OG	165.5°	178.2°
N	CA	C	OXT	112.5°	146.3°
CA	N	HN1	HN2	125.4°	166.2°
N	CA	CB	HBC1	69.3°	59.5°
N	CA	CB	HBC2	40.2°	61.6°
CA	C	O	OXT	179.3°	177.5°
C	CA	CB	HA	115.8°	122.9°
C	CA	CB	OG	67.6°	58.7°
C	CA	N	HN1	54.7°	112.3°
C	CA	N	HN2	180.0°	54.2°
C	CA	CB	HBC1	57.6°	60.0°
C	CA	CB	HBC2	167.1°	178.9°
CA	C	OXT	HOT	180.0°	177.8°
O	C	CA	CB	164.9°	86.1°
O	C	CA	HA	49.0°	150.0°
O	C	OXT	HOT	0.7°	0.0°
CA	CB	OG	HBC1	125.3°	120.7°
CA	CB	OG	HBC2	125.3°	122.0°
CA	CB	OG	P1	155.0°	180.0°
CB	CA	C	OXT	14.4°	91.6°
CB	CA	N	HN1	73.1°	9.1°
CB	CA	N	HN2	52.2°	175.6°
CA	CB	HBC1	HBC2	116.8°	122.9°
CB	OG	P1	O1	77.3°	52.2°
CB	OG	P1	N1	35.9°	180.0°
CB	OG	P1	O2	167.9°	67.0°
OG	CB	CA	HA	48.2°	64.2°
OG	CB	HBC1	HBC2	116.7°	117.5°
OG	P1	O1	N1	108.5°	122.1°
OG	P1	O1	O2	130.1°	113.9°
OG	P1	N1	O2	139.9°	109.2°
OG	P1	N1	C1	179.3°	65.0°
OG	P1	O2	C4	131.5°	51.6°
P1	OG	CB	HBC1	29.8°	59.3°
P1	OG	CB	HBC2	79.7°	58.1°
OG	P1	N1	H1	55.4°	162.5°
O1	P1	N1	O2	118.6°	125.8°
O1	P1	N1	C1	79.2°	60.0°
O1	P1	O2	C4	119.3°	171.2°
O1	P1	N1	H1	46.0°	72.5°
P1	N1	C1	H1	125.3°	135.7°
P1	N1	C1	C3	124.0°	149.0°
P1	N1	C1	C2	114.3°	88.8°
N1	P1	O2	C4	1.8°	60.1°
P1	N1	C1	HB	4.9°	30.0°
N1	C1	C3	C2	124.7°	120.5°
N1	C1	C3	HB	115.8°	118.0°
N1	C1	C2	HB	115.8°	117.8°
C1	N1	P1	O2	39.4°	174.2°
N1	C1	C3	H3C1	54.7°	179.0°
N1	C1	C3	H3C2	54.8°	60.4°
N1	C1	C3	H3C3	180.0°	59.1°
N1	C1	C2	H2C1	54.7°	58.9°
N1	C1	C2	H2C2	54.8°	178.9°
N1	C1	C2	H2C3	180.0°	60.7°
C3	C1	C2	HB	119.6°	121.6°
C3	C1	N1	H1	110.7°	75.3°
C1	C3	H3C1	H3C2	116.9°	122.4°
C1	C3	H3C1	H3C3	126.2°	121.6°
C1	C3	H3C2	H3C3	126.2°	121.5°
C3	C1	C2	H2C1	179.4°	179.5°
C3	C1	C2	H2C2	69.9°	60.5°
C3	C1	C2	H2C3	55.3°	59.9°
C2	C1	N1	H1	11.0°	46.9°
C2	C1	C3	H3C1	69.9°	60.5°
C2	C1	C3	H3C2	179.4°	60.0°
C2	C1	C3	H3C3	55.4°	179.6°
C1	C2	H2C1	H2C2	116.9°	121.6°
C1	C2	H2C1	H2C3	126.2°	122.0°
C1	C2	H2C2	H2C3	126.2°	122.4°
P1	O2	C4	C5	118.3°	180.0°
O2	P1	N1	H1	164.7°	53.3°
P1	O2	C4	H4C1	7.0°	59.3°
P1	O2	C4	H4C2	116.5°	59.4°
O2	C4	C5	H4C1	125.3°	119.6°
O2	C4	C5	H4C2	125.3°	119.5°
O2	C4	H4C1	H4C2	116.8°	118.5°
O2	C4	C5	H5C1	54.7°	180.0°
O2	C4	C5	H5C2	54.7°	59.2°
O2	C4	C5	H5C3	180.0°	59.2°
C5	C4	H4C1	H4C2	116.8°	121.8°
C4	C5	H5C1	H5C2	116.8°	122.0°
C4	C5	H5C1	H5C3	126.5°	121.9°
C4	C5	H5C2	H5C3	126.4°	120.5°
OXT	C	CA	HA	130.3°	32.3°
HN1	N	CA	HA	170.8°	130.5°
HN2	N	CA	HA	63.9°	63.0°
HA	CA	CB	HBC1	173.4°	177.1°
HA	CA	CB	HBC2	77.1°	56.0°
H1	N1	C1	HB	130.1°	165.6°
HB	C1	C3	H3C1	170.5°	61.0°
HB	C1	C3	H3C2	61.0°	178.5°
HB	C1	C3	H3C3	64.2°	58.9°
HB	C1	C2	H2C1	61.0°	58.9°
HB	C1	C2	H2C2	170.5°	61.1°
HB	C1	C2	H2C3	64.2°	178.5°
H3C1	C3	H3C2	H3C3	116.9°	116.3°
H2C1	C2	H2C2	H2C3	116.9°	116.0°
H4C1	C4	C5	H5C1	180.0°	60.4°
H4C1	C4	C5	H5C2	70.5°	178.7°
H4C1	C4	C5	H5C3	54.7°	60.4°
H4C2	C4	C5	H5C1	70.5°	60.5°
H4C2	C4	C5	H5C2	180.0°	60.4°
H4C2	C4	C5	H5C3	54.7°	178.7°
H5C1	C5	H5C2	H5C3	116.8°	117.4°

Definition date:	2007-02-13
Last modified:	2024-09-27
Release status:	REL
Processing site:	EBI
Derived from:	2JGF