BL2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	CT	sing	1.53Å	1.52Å
CT	C1	sing	1.53Å	1.49Å
CT	O2	sing	1.45Å	1.41Å
CT	C2	sing	1.53Å	1.50Å
O	C	doub	1.21Å	1.23Å
O1	CX	doub	1.22Å	1.17Å
O2	CX	sing	1.35Å	1.45Å
CX	N	sing	1.35Å	1.29Å
C	OXT	sing	1.34Å	1.23Å
C	CA	sing	1.51Å	1.53Å
N	CA	sing	1.46Å	1.46Å
CA	CB	sing	1.53Å	1.53Å
CB	CG	sing	1.53Å	1.53Å
CG	CD2	sing	1.53Å	1.52Å
CG	CD1	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
N	H10	sing	0.97Å	1.00Å
CA	H11	sing	1.09Å	1.10Å
CB	H12	sing	1.09Å	1.10Å
CB	H13	sing	1.09Å	1.10Å
CG	H14	sing	1.09Å	1.10Å
CD1	H15	sing	1.09Å	1.10Å
CD1	H16	sing	1.09Å	1.10Å
CD1	H17	sing	1.09Å	1.10Å
CD2	H18	sing	1.09Å	1.10Å
CD2	H19	sing	1.09Å	1.10Å
CD2	H20	sing	1.09Å	1.10Å
OXT	H21	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	CT	C1	105.1°	109.5°
C3	CT	O2	116.5°	109.5°
C3	CT	C2	108.8°	109.4°
CT	C3	H7	109.5°	109.5°
CT	C3	H8	109.4°	109.5°
CT	C3	H9	109.4°	109.5°
C1	CT	O2	103.1°	109.5°
C1	CT	C2	109.5°	109.5°
CT	C1	H1	109.5°	109.4°
CT	C1	H2	109.5°	109.5°
CT	C1	H3	109.5°	109.5°
O2	CT	C2	113.2°	109.5°
CT	O2	CX	124.1°	117.0°
CT	C2	H4	109.5°	109.4°
CT	C2	H5	109.5°	109.5°
CT	C2	H6	109.5°	109.5°
O	C	OXT	118.1°	120.1°
O	C	CA	120.8°	120.0°
O1	CX	O2	120.1°	120.0°
O1	CX	N	141.8°	119.9°
O2	CX	N	98.1°	120.0°
CX	N	CA	115.6°	120.0°
CX	N	H10	122.2°	119.9°
OXT	C	CA	121.1°	120.0°
C	OXT	H21	109.5°	117.0°
C	CA	N	111.2°	109.5°
C	CA	CB	110.1°	109.4°
C	CA	H11	108.1°	109.5°
N	CA	CB	110.5°	109.5°
CA	N	H10	122.2°	120.0°
N	CA	H11	108.9°	109.5°
CA	CB	CG	116.3°	109.5°
CB	CA	H11	108.0°	109.5°
CA	CB	H12	107.7°	109.4°
CA	CB	H13	107.7°	109.5°
CB	CG	CD2	110.7°	109.5°
CB	CG	CD1	110.7°	109.5°
CG	CB	H12	107.7°	109.4°
CG	CB	H13	107.8°	109.5°
CB	CG	H14	108.1°	109.5°
CD2	CG	CD1	110.8°	109.5°
CD2	CG	H14	108.2°	109.5°
CG	CD2	H18	109.5°	109.5°
CG	CD2	H19	109.5°	109.5°
CG	CD2	H20	109.5°	109.5°
CD1	CG	H14	108.2°	109.4°
CG	CD1	H15	109.5°	109.4°
CG	CD1	H16	109.5°	109.5°
CG	CD1	H17	109.4°	109.5°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.5°
H4	C2	H5	109.5°	109.5°
H4	C2	H6	109.5°	109.4°
H5	C2	H6	109.4°	109.5°
H7	C3	H8	109.5°	109.5°
H7	C3	H9	109.5°	109.5°
H8	C3	H9	109.5°	109.4°
H12	CB	H13	109.4°	109.5°
H15	CD1	H16	109.5°	109.5°
H15	CD1	H17	109.5°	109.5°
H16	CD1	H17	109.5°	109.4°
H18	CD2	H19	109.5°	109.5°
H18	CD2	H20	109.5°	109.5°
H19	CD2	H20	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	CT	C1	O2	122.5°	120.0°
C3	CT	C1	C2	116.7°	119.9°
C3	CT	O2	C2	127.3°	119.9°
C3	CT	O2	CX	68.0°	60.0°
C3	CT	C1	H1	180.0°	180.0°
C3	CT	C1	H2	60.0°	60.0°
C3	CT	C1	H3	60.0°	60.0°
C3	CT	C2	H4	180.0°	180.0°
C3	CT	C2	H5	60.0°	60.0°
C3	CT	C2	H6	60.0°	60.0°
CT	C3	H7	H8	120.0°	120.0°
CT	C3	H7	H9	120.0°	120.0°
CT	C3	H8	H9	120.0°	120.0°
C1	CT	O2	C2	118.1°	120.0°
C1	CT	O2	CX	177.4°	60.0°
CT	C1	H1	H2	120.0°	120.0°
CT	C1	H1	H3	120.0°	120.0°
CT	C1	H2	H3	120.0°	120.0°
C1	CT	C2	H4	65.6°	60.0°
C1	CT	C2	H5	174.4°	180.0°
C1	CT	C2	H6	54.4°	60.0°
C1	CT	C3	H7	180.0°	60.0°
C1	CT	C3	H8	60.0°	180.0°
C1	CT	C3	H9	60.0°	60.0°
CT	O2	CX	O1	1.7°	0.0°
CT	O2	CX	N	179.0°	179.7°
O2	CT	C1	H1	57.5°	60.0°
O2	CT	C1	H2	177.4°	180.0°
O2	CT	C1	H3	62.5°	60.0°
O2	CT	C2	H4	48.7°	60.1°
O2	CT	C2	H5	71.3°	59.9°
O2	CT	C2	H6	168.8°	180.0°
O2	CT	C3	H7	66.6°	180.0°
O2	CT	C3	H8	53.4°	60.0°
O2	CT	C3	H9	173.4°	60.0°
C2	CT	O2	CX	59.3°	180.0°
C2	CT	C1	H1	63.3°	60.0°
C2	CT	C1	H2	56.7°	60.0°
C2	CT	C1	H3	176.7°	180.0°
CT	C2	H4	H5	120.0°	120.0°
CT	C2	H4	H6	120.0°	120.0°
CT	C2	H5	H6	120.0°	120.1°
C2	CT	C3	H7	62.8°	60.0°
C2	CT	C3	H8	177.2°	60.0°
C2	CT	C3	H9	57.2°	180.0°
O	C	OXT	CA	179.9°	180.0°
O	C	CA	N	33.7°	0.0°
O	C	CA	CB	156.5°	120.0°
O	C	CA	H11	85.7°	120.0°
O	C	OXT	H21	0.0°	0.0°
O1	CX	O2	N	179.3°	179.8°
O1	CX	N	CA	9.2°	0.1°
O1	CX	N	H10	170.8°	180.0°
O2	CX	N	CA	171.8°	179.7°
O2	CX	N	H10	8.2°	0.2°
CX	N	CA	C	112.6°	85.0°
CX	N	CA	H10	180.0°	179.9°
CX	N	CA	CB	124.9°	155.0°
CX	N	CA	H11	6.4°	35.1°
OXT	C	CA	N	146.3°	180.0°
OXT	C	CA	CB	23.6°	60.0°
OXT	C	CA	H11	94.2°	60.0°
C	CA	N	CB	122.5°	120.0°
C	CA	N	H11	118.9°	120.1°
C	CA	CB	H11	117.8°	120.0°
C	CA	CB	CG	179.4°	175.0°
C	CA	N	H10	67.4°	94.9°
C	CA	CB	H12	58.4°	65.0°
C	CA	CB	H13	59.6°	55.0°
CA	C	OXT	H21	180.0°	180.0°
N	CA	CB	H11	119.0°	120.0°
N	CA	CB	CG	56.2°	65.0°
N	CA	CB	H12	64.8°	55.0°
N	CA	CB	H13	177.2°	175.0°
CA	CB	CG	H12	121.0°	119.9°
CA	CB	CG	H13	121.0°	120.0°
CA	CB	CG	CD2	70.2°	65.0°
CA	CB	CG	CD1	166.5°	175.0°
CB	CA	N	H10	55.1°	25.1°
CA	CB	H12	H13	116.9°	120.0°
CA	CB	CG	H14	48.1°	55.0°
CB	CG	CD2	CD1	123.3°	120.0°
CB	CG	CD2	H14	118.3°	120.0°
CB	CG	CD1	H14	118.3°	120.0°
CG	CB	CA	H11	62.9°	55.0°
CG	CB	H12	H13	116.9°	120.0°
CB	CG	CD1	H15	180.0°	60.0°
CB	CG	CD1	H16	60.0°	180.0°
CB	CG	CD1	H17	60.0°	60.0°
CB	CG	CD2	H18	180.0°	60.0°
CB	CG	CD2	H19	60.0°	60.0°
CB	CG	CD2	H20	60.0°	180.0°
CD2	CG	CD1	H14	118.5°	120.0°
CD2	CG	CB	H12	168.8°	175.0°
CD2	CG	CB	H13	50.8°	55.0°
CD2	CG	CD1	H15	56.7°	60.0°
CD2	CG	CD1	H16	176.8°	60.0°
CD2	CG	CD1	H17	63.2°	180.0°
CG	CD2	H18	H19	120.0°	120.0°
CG	CD2	H18	H20	120.0°	120.0°
CG	CD2	H19	H20	120.0°	120.0°
CD1	CG	CB	H12	45.5°	55.0°
CD1	CG	CB	H13	72.5°	65.0°
CG	CD1	H15	H16	120.0°	120.1°
CG	CD1	H15	H17	120.0°	120.0°
CG	CD1	H16	H17	120.0°	120.0°
CD1	CG	CD2	H18	56.7°	60.0°
CD1	CG	CD2	H19	63.3°	180.0°
CD1	CG	CD2	H20	176.7°	60.0°
H1	C1	H2	H3	120.0°	120.0°
H4	C2	H5	H6	120.0°	120.0°
H7	C3	H8	H9	120.0°	120.0°
H10	N	CA	H11	173.6°	145.0°
H11	CA	CB	H12	176.1°	175.0°
H11	CA	CB	H13	58.2°	65.0°
H12	CB	CG	H14	72.9°	65.0°
H13	CB	CG	H14	169.1°	175.0°
H14	CG	CD1	H15	61.7°	180.0°
H14	CG	CD1	H16	58.3°	59.9°
H14	CG	CD1	H17	178.3°	60.0°
H14	CG	CD2	H18	61.8°	180.0°
H14	CG	CD2	H19	178.2°	60.0°
H14	CG	CD2	H20	58.3°	60.0°
H15	CD1	H16	H17	120.0°	120.0°
H18	CD2	H19	H20	120.0°	120.0°

Release date:	2013-05-22
Definition date:	2012-05-31
Last modified:	2013-05-17
Release status:	REL
Processing site:	RCSB
Sub-components:	BOC LEU
Derived from:	4F8Z