LEE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.43Å
N	H	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	C	sing	1.51Å	1.53Å
CA	CB	sing	1.53Å	1.49Å
CA	HA	sing	1.09Å	1.10Å
C	O	doub	1.21Å	1.23Å
C	OXT	sing	1.34Å	1.24Å
CB	CG	sing	1.53Å	1.49Å
CB	HB2	sing	1.09Å	1.10Å
CB	HB3	sing	1.09Å	1.10Å
CG	CD	sing	1.51Å	1.49Å
CG	HG2	sing	1.09Å	1.10Å
CG	HG3	sing	1.09Å	1.10Å
CD	OE1	doub	1.21Å	1.24Å
OXT	HXT	sing	0.97Å	0.95Å
N1	CA1	sing	1.47Å	1.47Å
N1	H1	sing	0.97Å	1.00Å
CA1	CB1	sing	1.53Å	1.55Å
CA1	C7	sing	1.51Å	1.54Å
CA1	HA1	sing	1.09Å	1.10Å
CB1	SG	sing	1.81Å	1.79Å
CB1	HB21	sing	1.09Å	1.10Å
CB1	HB31	sing	1.09Å	1.10Å
SG	C1	sing	1.81Å	1.81Å
C1	C2	sing	1.53Å	1.54Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.53Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.55Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.54Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.54Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C6	H63	sing	1.09Å	1.10Å
C7	O1	doub	1.21Å	1.23Å
N2	CA2	sing	1.46Å	1.47Å
N2	H3	sing	0.97Å	1.00Å
CA2	C8	sing	1.51Å	1.53Å
CA2	HA2	sing	1.09Å	1.10Å
CA2	HA3	sing	1.09Å	1.10Å
C8	O2	doub	1.21Å	1.23Å
C8	OXT1	sing	1.34Å	1.24Å
OXT1	HXT1	sing	0.97Å	0.95Å
CD	N1	sing	1.35Å	1.32Å
C7	N2	sing	1.35Å	1.32Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H	109.5°	111.0°
CA	N	H2	109.4°	111.0°
N	CA	C	100.5°	109.5°
N	CA	CB	107.0°	109.5°
N	CA	HA	117.9°	109.5°
H	N	H2	109.5°	111.0°
C	CA	CB	113.4°	109.5°
C	CA	HA	112.0°	109.4°
CA	C	O	120.7°	120.0°
CA	C	OXT	118.8°	120.0°
CB	CA	HA	106.1°	109.5°
CA	CB	CG	114.3°	109.4°
CA	CB	HB2	107.9°	109.5°
CA	CB	HB3	107.9°	109.5°
O	C	OXT	120.5°	120.0°
C	OXT	HXT	109.5°	117.0°
CG	CB	HB2	107.9°	109.5°
CG	CB	HB3	107.9°	109.5°
CB	CG	CD	105.3°	109.5°
CB	CG	HG2	110.9°	109.5°
CB	CG	HG3	110.9°	109.4°
HB2	CB	HB3	111.0°	109.5°
CD	CG	HG2	110.9°	109.5°
CD	CG	HG3	110.9°	109.4°
CG	CD	OE1	122.4°	120.0°
CG	CD	N1	103.2°	120.0°
HG2	CG	HG3	108.0°	109.5°
OE1	CD	N1	133.4°	120.0°
CA1	N1	H1	119.7°	119.9°
N1	CA1	CB1	99.0°	109.5°
N1	CA1	C7	105.6°	109.5°
N1	CA1	HA1	122.2°	109.4°
CA1	N1	CD	120.7°	120.0°
H1	N1	CD	119.6°	120.0°
CB1	CA1	C7	119.6°	109.5°
CB1	CA1	HA1	108.9°	109.4°
CA1	CB1	SG	100.3°	109.5°
CA1	CB1	HB21	112.7°	109.4°
CA1	CB1	HB31	112.7°	109.4°
C7	CA1	HA1	102.8°	109.5°
CA1	C7	O1	118.2°	120.0°
CA1	C7	N2	128.4°	120.0°
SG	CB1	HB21	112.6°	109.5°
SG	CB1	HB31	112.6°	109.5°
CB1	SG	C1	107.8°	103.0°
HB21	CB1	HB31	106.1°	109.4°
SG	C1	C2	108.3°	109.5°
SG	C1	H11	109.9°	109.5°
SG	C1	H12	109.9°	109.5°
C2	C1	H11	109.9°	109.4°
C2	C1	H12	109.9°	109.5°
C1	C2	C3	114.0°	109.5°
C1	C2	H21	108.0°	109.5°
C1	C2	H22	108.0°	109.5°
H11	C1	H12	109.1°	109.5°
C3	C2	H21	108.0°	109.4°
C3	C2	H22	108.0°	109.5°
C2	C3	C4	117.7°	109.5°
C2	C3	H31	106.8°	109.4°
C2	C3	H32	106.8°	109.5°
H21	C2	H22	110.9°	109.5°
C4	C3	H31	106.8°	109.5°
C4	C3	H32	106.8°	109.5°
C3	C4	C5	114.2°	109.5°
C3	C4	H41	107.9°	109.4°
C3	C4	H42	107.9°	109.5°
H31	C3	H32	112.0°	109.5°
C5	C4	H41	107.9°	109.5°
C5	C4	H42	107.9°	109.5°
C4	C5	C6	114.7°	109.4°
C4	C5	H51	107.8°	109.4°
C4	C5	H52	107.8°	109.5°
H41	C4	H42	111.0°	109.5°
C6	C5	H51	107.7°	109.5°
C6	C5	H52	107.8°	109.5°
C5	C6	H61	109.5°	109.5°
C5	C6	H62	109.4°	109.5°
C5	C6	H63	109.5°	109.4°
H51	C5	H52	111.1°	109.5°
H61	C6	H62	109.5°	109.5°
H61	C6	H63	109.5°	109.4°
H62	C6	H63	109.5°	109.5°
O1	C7	N2	113.4°	120.0°
CA2	N2	H3	119.3°	120.0°
N2	CA2	C8	112.3°	109.5°
N2	CA2	HA2	108.5°	109.5°
N2	CA2	HA3	108.6°	109.5°
CA2	N2	C7	121.4°	120.0°
H3	N2	C7	119.3°	120.0°
C8	CA2	HA2	108.6°	109.5°
C8	CA2	HA3	108.5°	109.5°
CA2	C8	O2	118.4°	120.0°
CA2	C8	OXT1	117.9°	120.0°
HA2	CA2	HA3	110.4°	109.4°
O2	C8	OXT1	123.7°	120.0°
C8	OXT1	HXT1	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H	H2	120.0°	123.9°
N	CA	C	CB	113.9°	120.0°
N	CA	C	HA	126.1°	120.0°
N	CA	CB	HA	126.7°	120.1°
N	CA	C	O	144.9°	20.0°
N	CA	C	OXT	33.5°	160.0°
N	CA	CB	CG	164.7°	65.0°
N	CA	CB	HB2	44.7°	55.0°
N	CA	CB	HB3	75.3°	175.0°
H	N	CA	C	180.0°	63.9°
H	N	CA	CB	61.3°	176.1°
H	N	CA	HA	58.0°	56.0°
H2	N	CA	C	60.0°	60.0°
H2	N	CA	CB	178.6°	60.0°
H2	N	CA	HA	62.0°	180.0°
C	CA	CB	HA	123.4°	119.9°
CA	C	O	OXT	178.4°	180.0°
C	CA	CB	CG	85.4°	175.0°
C	CA	CB	HB2	154.6°	65.0°
C	CA	CB	HB3	34.6°	55.0°
CA	C	OXT	HXT	178.4°	180.0°
CB	CA	C	O	31.0°	100.0°
CB	CA	C	OXT	147.4°	80.0°
CA	CB	CG	HB2	120.0°	120.0°
CA	CB	CG	HB3	120.0°	120.0°
CA	CB	HB2	HB3	118.0°	120.0°
CA	CB	CG	CD	176.4°	180.0°
CA	CB	CG	HG2	56.4°	60.0°
CA	CB	CG	HG3	63.6°	60.0°
HA	CA	C	O	89.0°	140.0°
HA	CA	C	OXT	92.6°	40.0°
HA	CA	CB	CG	38.0°	55.0°
HA	CA	CB	HB2	82.0°	175.1°
HA	CA	CB	HB3	158.0°	64.9°
O	C	OXT	HXT	0.0°	0.0°
CG	CB	HB2	HB3	118.0°	120.0°
CB	CG	CD	HG2	120.0°	120.0°
CB	CG	CD	HG3	120.0°	119.9°
CB	CG	HG2	HG3	121.7°	120.0°
CB	CG	CD	OE1	32.6°	0.1°
CB	CG	CD	N1	157.7°	180.0°
HB2	CB	CG	CD	63.6°	60.0°
HB2	CB	CG	HG2	176.4°	180.0°
HB2	CB	CG	HG3	56.4°	60.0°
HB3	CB	CG	CD	56.4°	60.1°
HB3	CB	CG	HG2	63.6°	60.0°
HB3	CB	CG	HG3	176.4°	180.0°
CD	CG	HG2	HG3	121.7°	120.0°
CG	CD	OE1	N1	166.1°	179.9°
CG	CD	N1	CA1	162.9°	180.0°
CG	CD	N1	H1	17.1°	0.0°
HG2	CG	CD	OE1	152.6°	120.0°
HG2	CG	CD	N1	37.7°	60.0°
HG3	CG	CD	OE1	87.4°	120.0°
HG3	CG	CD	N1	82.2°	60.1°
OE1	CD	N1	CA1	5.1°	0.1°
OE1	CD	N1	H1	174.9°	180.0°
CA1	N1	H1	CD	180.0°	180.0°
N1	CA1	CB1	C7	113.8°	120.1°
N1	CA1	CB1	HA1	128.7°	119.9°
N1	CA1	C7	HA1	129.1°	120.0°
N1	CA1	CB1	SG	158.3°	60.0°
N1	CA1	CB1	HB21	81.8°	60.1°
N1	CA1	CB1	HB31	38.3°	180.0°
N1	CA1	C7	O1	51.0°	0.1°
N1	CA1	C7	N2	129.2°	180.0°
H1	N1	CA1	CB1	42.2°	25.0°
H1	N1	CA1	C7	82.1°	95.0°
H1	N1	CA1	HA1	161.4°	145.0°
CB1	CA1	C7	HA1	120.7°	120.0°
CA1	CB1	SG	HB21	120.0°	120.0°
CA1	CB1	SG	HB31	120.0°	120.0°
CA1	CB1	HB21	HB31	123.7°	119.9°
CA1	CB1	SG	C1	143.8°	180.0°
CB1	CA1	C7	O1	59.2°	120.0°
CB1	CA1	N1	CD	137.8°	155.0°
CB1	CA1	C7	N2	120.5°	60.0°
C7	CA1	CB1	SG	44.5°	180.0°
C7	CA1	CB1	HB21	164.5°	60.0°
C7	CA1	CB1	HB31	75.5°	59.9°
CA1	C7	O1	N2	179.8°	179.9°
CA1	C7	N2	CA2	127.3°	180.0°
CA1	C7	N2	H3	52.7°	0.0°
C7	CA1	N1	CD	97.9°	85.0°
HA1	CA1	CB1	SG	73.1°	60.0°
HA1	CA1	CB1	HB21	46.9°	180.0°
HA1	CA1	CB1	HB31	166.9°	60.1°
HA1	CA1	C7	O1	179.9°	120.1°
HA1	CA1	N1	CD	18.6°	35.1°
HA1	CA1	C7	N2	0.2°	60.0°
SG	CB1	HB21	HB31	123.7°	120.0°
CB1	SG	C1	C2	152.5°	180.0°
CB1	SG	C1	H11	32.5°	60.0°
CB1	SG	C1	H12	87.5°	60.0°
HB21	CB1	SG	C1	23.8°	60.0°
HB31	CB1	SG	C1	96.2°	60.0°
SG	C1	C2	H11	120.0°	120.0°
SG	C1	C2	H12	120.0°	120.0°
SG	C1	H11	H12	120.5°	120.0°
SG	C1	C2	C3	68.3°	180.0°
SG	C1	C2	H21	51.7°	60.0°
SG	C1	C2	H22	171.7°	60.0°
C2	C1	H11	H12	120.5°	120.0°
C1	C2	C3	H21	120.0°	120.0°
C1	C2	C3	H22	120.0°	120.0°
C1	C2	H21	H22	118.1°	120.0°
C1	C2	C3	C4	168.3°	NaN°
C1	C2	C3	H31	71.7°	60.0°
C1	C2	C3	H32	48.3°	60.0°
H11	C1	C2	C3	171.6°	60.0°
H11	C1	C2	H21	68.3°	179.9°
H11	C1	C2	H22	51.6°	60.0°
H12	C1	C2	C3	51.6°	60.0°
H12	C1	C2	H21	171.7°	60.0°
H12	C1	C2	H22	68.4°	180.0°
C3	C2	H21	H22	118.2°	120.0°
C2	C3	C4	H31	120.0°	120.0°
C2	C3	C4	H32	120.0°	120.0°
C2	C3	H31	H32	116.6°	120.0°
C2	C3	C4	C5	90.7°	180.0°
C2	C3	C4	H41	29.4°	60.0°
C2	C3	C4	H42	149.4°	60.0°
H21	C2	C3	C4	48.3°	60.0°
H21	C2	C3	H31	168.3°	180.0°
H21	C2	C3	H32	71.7°	60.0°
H22	C2	C3	C4	71.7°	60.0°
H22	C2	C3	H31	48.3°	60.0°
H22	C2	C3	H32	168.3°	180.0°
C4	C3	H31	H32	116.6°	120.0°
C3	C4	C5	H41	120.0°	120.0°
C3	C4	C5	H42	120.0°	120.0°
C3	C4	H41	H42	118.0°	120.0°
C3	C4	C5	C6	78.7°	180.0°
C3	C4	C5	H51	41.3°	60.0°
C3	C4	C5	H52	161.3°	60.0°
H31	C3	C4	C5	149.3°	60.0°
H31	C3	C4	H41	90.7°	180.0°
H31	C3	C4	H42	29.4°	60.0°
H32	C3	C4	C5	29.4°	60.0°
H32	C3	C4	H41	149.4°	60.0°
H32	C3	C4	H42	90.6°	180.0°
C5	C4	H41	H42	118.0°	120.0°
C4	C5	C6	H51	120.0°	120.0°
C4	C5	C6	H52	120.0°	120.0°
C4	C5	H51	H52	117.9°	120.0°
C4	C5	C6	H61	180.0°	60.0°
C4	C5	C6	H62	60.0°	60.0°
C4	C5	C6	H63	60.0°	180.0°
H41	C4	C5	C6	161.3°	60.0°
H41	C4	C5	H51	78.7°	180.0°
H41	C4	C5	H52	41.3°	60.0°
H42	C4	C5	C6	41.3°	60.0°
H42	C4	C5	H51	161.2°	60.0°
H42	C4	C5	H52	78.7°	180.0°
C6	C5	H51	H52	117.8°	120.0°
C5	C6	H61	H62	120.0°	120.0°
C5	C6	H61	H63	120.0°	120.0°
C5	C6	H62	H63	120.0°	120.0°
H51	C5	C6	H61	60.0°	180.0°
H51	C5	C6	H62	180.0°	60.0°
H51	C5	C6	H63	60.0°	60.0°
H52	C5	C6	H61	60.0°	60.0°
H52	C5	C6	H62	60.0°	180.0°
H52	C5	C6	H63	180.0°	60.0°
H61	C6	H62	H63	120.0°	120.0°
O1	C7	N2	CA2	52.5°	0.1°
O1	C7	N2	H3	127.5°	180.0°
CA2	N2	H3	C7	180.0°	180.0°
N2	CA2	C8	HA2	120.0°	120.0°
N2	CA2	C8	HA3	120.0°	120.1°
N2	CA2	HA2	HA3	118.9°	120.0°
N2	CA2	C8	O2	170.9°	0.0°
N2	CA2	C8	OXT1	10.9°	180.0°
H3	N2	CA2	C8	51.3°	0.0°
H3	N2	CA2	HA2	68.7°	120.0°
H3	N2	CA2	HA3	171.3°	120.0°
C8	CA2	HA2	HA3	118.8°	120.0°
CA2	C8	O2	OXT1	178.1°	180.0°
CA2	C8	OXT1	HXT1	178.0°	180.0°
C8	CA2	N2	C7	128.7°	180.0°
HA2	CA2	C8	O2	69.1°	120.0°
HA2	CA2	C8	OXT1	109.1°	60.0°
HA2	CA2	N2	C7	111.3°	60.0°
HA3	CA2	C8	O2	50.9°	120.1°
HA3	CA2	C8	OXT1	130.9°	60.0°
HA3	CA2	N2	C7	8.7°	59.9°
O2	C8	OXT1	HXT1	0.0°	0.1°

Definition date:	2009-02-05
Last modified:	2011-07-13
Release status:	REL
Processing site:	RCSB
Sub-components:	GLU SHC GLY
Derived from:	1GSS