CLB

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	1.54Å
CA	C	sing	1.51Å	1.52Å
CA	HA	sing	1.09Å	1.12Å
CB	OB3	sing	1.43Å	1.42Å
CB	HB2	sing	1.09Å	1.11Å
CB	HB3	sing	1.09Å	1.11Å
OB3	B	sing	1.37Å	1.43Å
C	O	doub	1.21Å	1.22Å
C	OXT	sing	1.34Å	1.32Å
OXT	HXT	sing	0.97Å	0.95Å
N9	C8	sing	1.46Å	1.45Å
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	1.69Å
C8	H8	sing	1.09Å	1.12Å
C7	C1	sing	1.51Å	1.54Å
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	1.81Å
OB1	B	sing	1.37Å	1.50Å
OB1	HOB1	sing	0.97Å	0.95Å
OB2	B	sing	1.37Å	1.48Å
OB2	HOB2	sing	0.97Å	0.95Å
C10	O10	doub	1.21Å	1.23Å
C10	C11	sing	1.51Å	1.52Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C11	H113	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CA	N	H	111.1°	106.7°
CA	N	H2	111.6°	106.7°
N	CA	CB	111.1°	109.5°
N	CA	C	109.0°	109.4°
N	CA	HA	108.3°	109.5°
H	N	H2	111.6°	106.8°
CB	CA	C	108.3°	109.5°
CB	CA	HA	109.0°	109.5°
CA	CB	OB3	112.8°	109.5°
CA	CB	HB2	111.0°	109.5°
CA	CB	HB3	111.0°	109.4°
C	CA	HA	111.2°	109.4°
CA	C	O	121.1°	120.0°
CA	C	OXT	116.1°	120.0°
OB3	CB	HB2	111.0°	109.5°
OB3	CB	HB3	111.0°	109.4°
CB	OB3	B	109.7°	106.8°
HB2	CB	HB3	99.3°	109.5°
OB3	B	C8	98.2°	109.5°
OB3	B	OB1	120.4°	109.5°
OB3	B	OB2	120.0°	109.5°
O	C	OXT	122.6°	120.0°
C	OXT	HXT	116.1°	120.0°
C8	N9	C10	123.4°	120.0°
C8	N9	HN9	122.8°	120.0°
N9	C8	C7	107.8°	109.5°
N9	C8	B	117.9°	109.5°
N9	C8	H8	102.3°	109.5°
C10	N9	HN9	113.7°	120.0°
N9	C10	O10	122.2°	120.0°
N9	C10	C11	119.1°	120.0°
C7	C8	B	99.3°	109.5°
C7	C8	H8	120.1°	109.5°
C8	C7	C1	115.0°	109.5°
C8	C7	H71	110.2°	109.5°
C8	C7	H72	110.2°	109.5°
B	C8	H8	110.4°	109.5°
C8	B	OB1	101.3°	109.4°
C8	B	OB2	97.7°	109.5°
C1	C7	H71	110.1°	109.4°
C1	C7	H72	110.1°	109.5°
C7	C1	C2	121.1°	120.0°
C7	C1	C6	121.2°	120.0°
H71	C7	H72	100.1°	109.5°
C2	C1	C6	117.6°	120.1°
C1	C2	C3	121.6°	120.0°
C1	C2	HC2	119.1°	120.0°
C1	C6	C5	121.4°	120.0°
C1	C6	H6	119.0°	120.0°
C3	C2	HC2	119.3°	120.0°
C2	C3	C4	119.7°	120.0°
C2	C3	H3	120.7°	120.0°
C4	C3	H3	119.6°	120.0°
C3	C4	C5	120.0°	120.0°
C3	C4	CL4	117.0°	120.0°
C5	C6	H6	119.5°	120.0°
C6	C5	C4	119.6°	120.0°
C6	C5	H5	120.6°	120.0°
C4	C5	H5	119.8°	120.0°
C5	C4	CL4	123.0°	120.0°
B	OB1	HOB1	120.4°	106.8°
OB1	B	OB2	112.3°	109.5°
B	OB2	HOB2	120.0°	106.8°
O10	C10	C11	118.4°	120.0°
C10	C11	H111	119.1°	109.5°
C10	C11	H112	108.7°	109.5°
C10	C11	H113	108.7°	109.4°
H111	C11	H112	108.7°	109.4°
H111	C11	H113	108.7°	109.5°
H112	C11	H113	101.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CA	N	H	H2	125.2°	113.8°
N	CA	CB	C	119.6°	120.0°
N	CA	CB	HA	119.3°	120.1°
N	CA	C	HA	119.3°	120.0°
N	CA	CB	OB3	73.8°	65.0°
N	CA	CB	HB2	51.4°	175.0°
N	CA	CB	HB3	160.9°	54.9°
N	CA	C	O	154.7°	20.0°
N	CA	C	OXT	30.1°	160.0°
H	N	CA	CB	180.0°	173.8°
H	N	CA	C	60.8°	53.8°
H	N	CA	HA	60.3°	66.2°
H2	N	CA	CB	54.7°	59.9°
H2	N	CA	C	174.0°	60.1°
H2	N	CA	HA	65.0°	180.0°
CB	CA	C	HA	119.7°	120.0°
CA	CB	OB3	HB2	125.3°	120.1°
CA	CB	OB3	HB3	125.3°	119.9°
CA	CB	HB2	HB3	116.9°	120.0°
CA	CB	OB3	B	111.2°	180.0°
CB	CA	C	O	84.3°	100.0°
CB	CA	C	OXT	90.8°	80.0°
C	CA	CB	OB3	166.5°	175.0°
C	CA	CB	HB2	68.2°	55.0°
C	CA	CB	HB3	41.3°	65.0°
CA	C	O	OXT	174.9°	180.0°
CA	C	OXT	HXT	180.0°	180.0°
HA	CA	CB	OB3	45.4°	55.1°
HA	CA	CB	HB2	170.7°	65.0°
HA	CA	CB	HB3	79.8°	175.0°
HA	CA	C	O	35.4°	140.0°
HA	CA	C	OXT	149.4°	40.0°
OB3	CB	HB2	HB3	116.8°	120.0°
CB	OB3	B	C8	173.7°	180.0°
CB	OB3	B	OB1	65.4°	60.0°
CB	OB3	B	OB2	82.5°	60.1°
HB2	CB	OB3	B	14.1°	60.0°
HB3	CB	OB3	B	123.6°	60.1°
OB3	B	C8	N9	49.2°	49.0°
OB3	B	C8	C7	66.7°	169.0°
OB3	B	C8	OB1	123.4°	120.0°
OB3	B	C8	OB2	122.0°	120.0°
OB3	B	C8	H8	166.2°	71.0°
OB3	B	OB1	OB2	150.1°	120.0°
OB3	B	OB1	HOB1	180.0°	60.0°
OB3	B	OB2	HOB2	179.9°	64.5°
O	C	OXT	HXT	4.9°	0.0°
C8	N9	C10	HN9	179.9°	180.0°
N9	C8	C7	B	123.4°	120.0°
N9	C8	C7	H8	116.4°	120.0°
N9	C8	B	H8	117.0°	120.0°
N9	C8	C7	C1	70.1°	180.0°
N9	C8	C7	H71	55.1°	60.1°
N9	C8	C7	H72	164.7°	60.0°
N9	C8	B	OB1	172.6°	169.0°
N9	C8	B	OB2	72.8°	71.0°
C8	N9	C10	O10	20.3°	5.1°
C8	N9	C10	C11	165.8°	174.9°
C10	N9	C8	C7	137.9°	134.8°
C10	N9	C8	B	110.9°	105.2°
C10	N9	C8	H8	10.4°	14.8°
N9	C10	O10	C11	174.0°	180.0°
N9	C10	C11	H111	180.0°	180.0°
N9	C10	C11	H112	54.8°	60.0°
N9	C10	C11	H113	54.8°	60.0°
HN9	N9	C8	C7	42.1°	45.2°
HN9	N9	C8	B	69.2°	74.8°
HN9	N9	C8	H8	169.6°	165.2°
HN9	N9	C10	O10	159.7°	174.8°
HN9	N9	C10	C11	14.3°	5.2°
C7	C8	B	H8	127.1°	120.0°
C8	C7	C1	H71	125.3°	120.0°
C8	C7	C1	H72	125.3°	120.0°
C8	C7	H71	H72	116.1°	120.0°
C8	C7	C1	C2	21.0°	90.0°
C8	C7	C1	C6	162.9°	90.3°
C7	C8	B	OB1	56.6°	71.0°
C7	C8	B	OB2	171.3°	49.0°
B	C8	C7	C1	166.5°	60.0°
B	C8	C7	H71	68.3°	180.0°
B	C8	C7	H72	41.3°	60.0°
C8	B	OB1	OB2	103.2°	120.0°
C8	B	OB1	HOB1	73.3°	60.0°
C8	B	OB2	HOB2	75.8°	55.5°
H8	C8	C7	C1	46.3°	60.0°
H8	C8	C7	H71	171.5°	60.0°
H8	C8	C7	H72	79.0°	180.0°
H8	C8	B	OB1	70.4°	49.0°
H8	C8	B	OB2	44.2°	169.0°
C1	C7	H71	H72	116.0°	120.0°
C7	C1	C2	C6	176.3°	179.7°
C7	C1	C2	C3	175.6°	180.0°
C7	C1	C2	HC2	4.4°	0.0°
C7	C1	C6	C5	175.6°	179.7°
C7	C1	C6	H6	4.4°	0.3°
H71	C7	C1	C2	146.2°	30.0°
H71	C7	C1	C6	37.7°	149.7°
H72	C7	C1	C2	104.3°	150.0°
H72	C7	C1	C6	71.8°	29.7°
C1	C2	C3	HC2	180.0°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	H3	180.0°	180.0°
C2	C1	C6	C5	0.7°	0.5°
C2	C1	C6	H6	179.3°	180.0°
C6	C1	C2	C3	0.7°	0.3°
C6	C1	C2	HC2	179.3°	179.7°
C1	C6	C5	H6	180.0°	179.5°
C1	C6	C5	C4	0.0°	0.6°
C1	C6	C5	H5	180.0°	179.7°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.7°	0.0°
C2	C3	C4	CL4	177.1°	180.0°
HC2	C2	C3	C4	180.0°	180.0°
HC2	C2	C3	H3	0.0°	0.0°
C3	C4	C5	C6	0.7°	0.3°
C3	C4	C5	CL4	177.7°	180.0°
C3	C4	C5	H5	179.3°	180.0°
H3	C3	C4	C5	179.3°	179.9°
H3	C3	C4	CL4	2.9°	0.1°
C6	C5	C4	H5	180.0°	179.7°
C6	C5	C4	CL4	177.0°	179.7°
H6	C6	C5	C4	180.0°	180.0°
H6	C6	C5	H5	0.0°	0.3°
H5	C5	C4	CL4	3.0°	0.0°
OB1	B	OB2	HOB2	29.8°	175.5°
HOB1	OB1	B	OB2	29.9°	180.0°
O10	C10	C11	H111	5.8°	0.0°
O10	C10	C11	H112	131.1°	120.0°
O10	C10	C11	H113	119.4°	120.0°
C10	C11	H111	H112	125.2°	120.0°
C10	C11	H111	H113	125.2°	120.0°
C10	C11	H112	H113	114.5°	120.0°
H111	C11	H112	H113	114.4°	120.0°

Definition date:	1999-07-08
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBJ
Derived from:	1VSB