CLD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CA	sing	1.47Å	1.46Å
N	H	sing	1.01Å	1.02Å
N	H2	sing	1.01Å	1.02Å
CA	CB	sing	1.53Å	1.53Å
CA	C	sing	1.51Å	1.53Å
CA	HA	sing	1.09Å	1.12Å
CB	OB3	sing	1.43Å	1.41Å
CB	HB2	sing	1.09Å	1.12Å
CB	HB3	sing	1.09Å	1.12Å
OB3	B	sing	1.37Å	1.43Å
C	O	doub	1.21Å	1.23Å
C	OXT	sing	1.34Å	1.34Å
OXT	HXT	sing	0.97Å	0.95Å
N9	C8	sing	1.46Å	1.46Å
N9	C10	sing	1.35Å	1.33Å
N9	HN9	sing	0.97Å	1.02Å
C8	C7	sing	1.53Å	1.55Å
C8	B	sing	1.60Å	1.64Å
C8	H8	sing	1.09Å	1.12Å
C7	C1	sing	1.51Å	1.52Å
C7	H71	sing	1.09Å	1.11Å
C7	H72	sing	1.09Å	1.11Å
C1	C2	doub	1.38Å	1.40Å	Aromatic
C1	C6	sing	1.38Å	1.40Å	Aromatic
C2	C3	sing	1.38Å	1.40Å	Aromatic
C2	HC2	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C6	C5	doub	1.38Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C5	C4	sing	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C4	CL4	sing	1.74Å	1.79Å
OB1	B	sing	1.37Å	1.51Å
OB1	HOB1	sing	0.97Å	0.95Å
OB2	B	sing	1.37Å	1.51Å
OB2	HOB2	sing	0.97Å	0.95Å
C10	O10	doub	1.21Å	1.23Å
C10	C11	sing	1.51Å	1.53Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.12Å
C11	H113	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H	111.0°	106.7°
CA	N	H2	111.6°	106.8°
N	CA	CB	111.0°	109.4°
N	CA	C	109.2°	109.5°
N	CA	HA	108.2°	109.5°
H	N	H2	111.6°	106.7°
CB	CA	C	108.3°	109.5°
CB	CA	HA	109.1°	109.5°
CA	CB	OB3	112.8°	109.5°
CA	CB	HB2	111.0°	109.5°
CA	CB	HB3	111.0°	109.5°
C	CA	HA	111.0°	109.5°
CA	C	O	120.2°	120.1°
CA	C	OXT	116.1°	119.9°
OB3	CB	HB2	111.0°	109.5°
OB3	CB	HB3	111.0°	109.5°
CB	OB3	B	109.2°	106.8°
HB2	CB	HB3	99.4°	109.4°
OB3	B	C8	97.6°	109.4°
OB3	B	OB1	120.2°	109.5°
OB3	B	OB2	120.2°	109.4°
O	C	OXT	123.5°	120.0°
C	OXT	HXT	116.1°	120.0°
C8	N9	C10	122.8°	120.0°
C8	N9	HN9	123.6°	120.0°
N9	C8	C7	118.4°	109.5°
N9	C8	B	107.7°	109.4°
N9	C8	H8	104.1°	109.5°
C10	N9	HN9	113.6°	120.0°
N9	C10	O10	121.4°	120.0°
N9	C10	C11	118.6°	120.0°
C7	C8	B	108.4°	109.4°
C7	C8	H8	103.4°	109.5°
C8	C7	C1	114.6°	109.4°
C8	C7	H71	110.3°	109.5°
C8	C7	H72	110.4°	109.5°
B	C8	H8	115.0°	109.5°
C8	B	OB1	99.8°	109.5°
C8	B	OB2	97.7°	109.5°
C1	C7	H71	110.3°	109.5°
C1	C7	H72	110.3°	109.5°
C7	C1	C2	120.9°	120.0°
C7	C1	C6	121.2°	120.0°
H71	C7	H72	100.0°	109.5°
C2	C1	C6	117.9°	120.0°
C1	C2	C3	121.5°	120.0°
C1	C2	HC2	119.2°	120.0°
C1	C6	C5	121.2°	120.0°
C1	C6	H6	119.3°	120.0°
C3	C2	HC2	119.4°	120.0°
C2	C3	C4	119.5°	120.0°
C2	C3	H3	120.8°	120.0°
C4	C3	H3	119.7°	120.0°
C3	C4	C5	120.3°	120.0°
C3	C4	CL4	117.8°	120.0°
C5	C6	H6	119.4°	120.0°
C6	C5	C4	119.6°	119.9°
C6	C5	H5	120.5°	120.0°
C4	C5	H5	119.9°	120.0°
C5	C4	CL4	121.9°	120.0°
B	OB1	HOB1	120.1°	106.8°
OB1	B	OB2	113.4°	109.5°
B	OB2	HOB2	120.2°	106.8°
O10	C10	C11	118.4°	120.0°
C10	C11	H111	118.7°	109.5°
C10	C11	H112	108.9°	109.4°
C10	C11	H113	108.9°	109.4°
H111	C11	H112	108.9°	109.5°
H111	C11	H113	108.9°	109.5°
H112	C11	H113	101.2°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H	H2	125.2°	113.9°
N	CA	CB	C	119.9°	120.0°
N	CA	CB	HA	119.2°	120.0°
N	CA	C	HA	119.2°	120.0°
N	CA	CB	OB3	77.7°	65.0°
N	CA	CB	HB2	47.6°	175.0°
N	CA	CB	HB3	157.1°	55.0°
N	CA	C	O	152.2°	20.0°
N	CA	C	OXT	31.1°	160.0°
H	N	CA	CB	180.0°	173.8°
H	N	CA	C	60.7°	53.8°
H	N	CA	HA	60.3°	66.2°
H2	N	CA	CB	54.8°	60.0°
H2	N	CA	C	174.1°	60.0°
H2	N	CA	HA	64.9°	180.0°
CB	CA	C	HA	119.7°	120.0°
CA	CB	OB3	HB2	125.3°	120.0°
CA	CB	OB3	HB3	125.2°	120.0°
CA	CB	HB2	HB3	116.9°	120.0°
CA	CB	OB3	B	111.2°	180.0°
CB	CA	C	O	86.7°	100.0°
CB	CA	C	OXT	89.9°	80.0°
C	CA	CB	OB3	162.4°	175.1°
C	CA	CB	HB2	72.3°	55.0°
C	CA	CB	HB3	37.2°	64.9°
CA	C	O	OXT	176.4°	179.9°
CA	C	OXT	HXT	180.0°	180.0°
HA	CA	CB	OB3	41.5°	55.0°
HA	CA	CB	HB2	166.7°	65.1°
HA	CA	CB	HB3	83.7°	175.0°
HA	CA	C	O	33.0°	140.0°
HA	CA	C	OXT	150.3°	40.0°
OB3	CB	HB2	HB3	116.9°	120.0°
CB	OB3	B	C8	160.0°	180.0°
CB	OB3	B	OB1	54.0°	60.0°
CB	OB3	B	OB2	96.5°	60.1°
HB2	CB	OB3	B	14.1°	60.0°
HB3	CB	OB3	B	123.6°	60.0°
OB3	B	C8	N9	141.0°	48.7°
OB3	B	C8	C7	89.8°	168.6°
OB3	B	C8	OB1	122.5°	120.0°
OB3	B	C8	OB2	122.0°	119.9°
OB3	B	C8	H8	25.4°	71.3°
OB3	B	OB1	OB2	152.3°	120.0°
OB3	B	OB1	HOB1	180.0°	55.0°
OB3	B	OB2	HOB2	179.9°	60.0°
O	C	OXT	HXT	3.4°	0.1°
C8	N9	C10	HN9	180.0°	179.9°
N9	C8	C7	B	123.0°	120.0°
N9	C8	C7	H8	114.5°	120.0°
N9	C8	B	H8	115.6°	120.0°
N9	C8	C7	C1	52.0°	180.0°
N9	C8	C7	H71	177.2°	60.0°
N9	C8	C7	H72	73.2°	60.0°
N9	C8	B	OB1	96.5°	71.3°
N9	C8	B	OB2	19.0°	168.6°
C8	N9	C10	O10	80.3°	5.2°
C8	N9	C10	C11	113.8°	174.8°
C10	N9	C8	C7	128.1°	136.0°
C10	N9	C8	B	108.6°	104.0°
C10	N9	C8	H8	14.0°	16.0°
N9	C10	O10	C11	165.9°	180.0°
N9	C10	C11	H111	180.0°	180.0°
N9	C10	C11	H112	54.8°	60.1°
N9	C10	C11	H113	54.7°	60.0°
HN9	N9	C8	C7	51.9°	43.9°
HN9	N9	C8	B	71.4°	76.0°
HN9	N9	C8	H8	166.0°	164.0°
HN9	N9	C10	O10	99.7°	174.9°
HN9	N9	C10	C11	66.1°	5.1°
C7	C8	B	H8	115.2°	120.0°
C8	C7	C1	H71	125.2°	120.0°
C8	C7	C1	H72	125.2°	120.0°
C8	C7	H71	H72	116.2°	120.0°
C8	C7	C1	C2	67.2°	90.0°
C8	C7	C1	C6	112.2°	90.3°
C7	C8	B	OB1	32.7°	48.6°
C7	C8	B	OB2	148.2°	71.4°
B	C8	C7	C1	175.0°	60.0°
B	C8	C7	H71	59.8°	60.0°
B	C8	C7	H72	49.8°	180.0°
C8	B	OB1	OB2	102.9°	120.0°
C8	B	OB1	HOB1	75.2°	65.0°
C8	B	OB2	HOB2	76.5°	60.0°
H8	C8	C7	C1	62.5°	60.0°
H8	C8	C7	H71	62.7°	NaN°
H8	C8	C7	H72	172.3°	60.0°
H8	C8	B	OB1	147.9°	168.7°
H8	C8	B	OB2	96.6°	48.6°
C1	C7	H71	H72	116.2°	120.0°
C7	C1	C2	C6	179.4°	179.7°
C7	C1	C2	C3	179.1°	180.0°
C7	C1	C2	HC2	0.9°	0.0°
C7	C1	C6	C5	179.2°	179.8°
C7	C1	C6	H6	0.8°	0.3°
H71	C7	C1	C2	167.6°	30.0°
H71	C7	C1	C6	13.1°	149.7°
H72	C7	C1	C2	58.1°	150.0°
H72	C7	C1	C6	122.6°	29.7°
C1	C2	C3	HC2	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C1	C2	C3	H3	179.8°	179.9°
C2	C1	C6	C5	0.1°	0.5°
C2	C1	C6	H6	179.9°	180.0°
C6	C1	C2	C3	0.3°	0.3°
C6	C1	C2	HC2	179.7°	179.7°
C1	C6	C5	H6	180.0°	179.5°
C1	C6	C5	C4	0.1°	0.5°
C1	C6	C5	H5	179.8°	179.7°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.1°	0.0°
C2	C3	C4	CL4	179.7°	180.0°
HC2	C2	C3	C4	179.8°	180.0°
HC2	C2	C3	H3	0.2°	0.1°
C3	C4	C5	C6	0.2°	0.2°
C3	C4	C5	CL4	179.7°	180.0°
C3	C4	C5	H5	179.7°	180.0°
H3	C3	C4	C5	179.9°	179.9°
H3	C3	C4	CL4	0.3°	0.1°
C6	C5	C4	H5	180.0°	179.8°
C6	C5	C4	CL4	179.5°	179.7°
H6	C6	C5	C4	179.9°	180.0°
H6	C6	C5	H5	0.2°	0.2°
H5	C5	C4	CL4	0.5°	0.0°
OB1	B	OB2	HOB2	27.8°	180.0°
HOB1	OB1	B	OB2	27.7°	175.0°
O10	C10	C11	H111	13.8°	0.0°
O10	C10	C11	H112	139.0°	120.0°
O10	C10	C11	H113	111.5°	120.0°
C10	C11	H111	H112	125.3°	119.9°
C10	C11	H111	H113	125.3°	120.0°
C10	C11	H112	H113	114.7°	120.0°
H111	C11	H112	H113	114.6°	120.1°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1AVT