6KJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C1	sing	1.53Å	1.51Å
C3	C1	sing	1.53Å	1.52Å
C1	OH	sing	1.43Å	1.43Å
C1	C2	sing	1.53Å	1.54Å
OH	NH1	sing	1.42Å	1.25Å
NH1	CZ	sing	1.38Å	1.32Å
CZ	NH2	doub	1.30Å	1.32Å
CZ	NE	sing	1.37Å	1.36Å
OA2	C	doub	1.21Å	1.24Å
NE	CD	doub	1.29Å	1.48Å
CB	CG	sing	1.53Å	1.55Å
CB	CA	sing	1.53Å	1.55Å
CD	CG	sing	1.51Å	1.53Å
C	CA	sing	1.51Å	1.53Å
C	OA1	sing	1.34Å	1.25Å
CA	N	sing	1.47Å	1.46Å
OA1	H1	sing	0.97Å	0.95Å
CA	H2	sing	1.09Å	1.10Å
N	H3	sing	1.01Å	1.00Å
N	H4	sing	1.01Å	1.00Å
CB	H6	sing	1.09Å	1.10Å
CB	H7	sing	1.09Å	1.10Å
CG	H8	sing	1.09Å	1.10Å
CG	H9	sing	1.09Å	1.10Å
CD	H10	sing	1.08Å	1.08Å
NH2	H11	sing	0.97Å	1.00Å
NH1	H12	sing	0.97Å	1.00Å
C4	H13	sing	1.09Å	1.10Å
C4	H14	sing	1.09Å	1.10Å
C4	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å
C3	H18	sing	1.09Å	1.10Å
C2	H19	sing	1.09Å	1.10Å
C2	H20	sing	1.09Å	1.10Å
C2	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C1	C3	106.0°	109.5°
C4	C1	OH	108.7°	109.5°
C4	C1	C2	110.2°	109.5°
C1	C4	H13	109.5°	109.5°
C1	C4	H14	109.5°	109.4°
C1	C4	H15	109.5°	109.4°
C3	C1	OH	111.4°	109.5°
C3	C1	C2	113.0°	109.5°
C1	C3	H16	109.5°	109.5°
C1	C3	H17	109.5°	109.5°
C1	C3	H18	109.5°	109.5°
OH	C1	C2	107.6°	109.5°
C1	OH	NH1	113.2°	114.0°
C1	C2	H19	109.5°	109.4°
C1	C2	H20	109.5°	109.5°
C1	C2	H21	109.5°	109.4°
OH	NH1	CZ	117.9°	120.0°
OH	NH1	H12	121.0°	120.0°
NH1	CZ	NH2	113.3°	120.0°
NH1	CZ	NE	122.3°	120.0°
CZ	NH1	H12	121.1°	120.0°
NH2	CZ	NE	124.4°	120.0°
CZ	NH2	H11	112.0°	120.0°
CZ	NE	CD	125.5°	120.0°
OA2	C	CA	121.3°	120.0°
OA2	C	OA1	119.2°	120.0°
NE	CD	CG	116.9°	120.1°
NE	CD	H10	121.5°	120.0°
CG	CB	CA	114.8°	109.5°
CB	CG	CD	114.3°	109.5°
CG	CB	H6	108.1°	109.5°
CG	CB	H7	108.1°	109.5°
CB	CG	H8	108.3°	109.4°
CB	CG	H9	108.3°	109.5°
CB	CA	C	113.9°	109.5°
CB	CA	N	109.7°	109.5°
CB	CA	H2	108.0°	109.4°
CA	CB	H6	108.1°	109.4°
CA	CB	H7	108.1°	109.5°
CD	CG	H8	108.3°	109.5°
CD	CG	H9	108.2°	109.5°
CG	CD	H10	121.6°	120.0°
CA	C	OA1	119.5°	120.0°
C	CA	N	107.4°	109.5°
C	CA	H2	108.3°	109.4°
C	OA1	H1	109.5°	117.0°
N	CA	H2	109.3°	109.5°
CA	N	H3	109.5°	111.0°
CA	N	H4	109.5°	111.1°
H3	N	H4	109.5°	111.0°
H6	CB	H7	109.5°	109.5°
H8	CG	H9	109.5°	109.5°
H13	C4	H14	109.4°	109.5°
H13	C4	H15	109.5°	109.5°
H14	C4	H15	109.5°	109.5°
H16	C3	H17	109.4°	109.5°
H16	C3	H18	109.5°	109.4°
H17	C3	H18	109.5°	109.4°
H19	C2	H20	109.5°	109.5°
H19	C2	H21	109.5°	109.6°
H20	C2	H21	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C1	C3	OH	118.0°	120.0°
C4	C1	C3	C2	120.7°	120.0°
C4	C1	OH	C2	119.3°	120.0°
C4	C1	OH	NH1	125.5°	180.0°
C1	C4	H13	H14	120.0°	120.0°
C1	C4	H13	H15	120.0°	119.9°
C1	C4	H14	H15	120.0°	119.9°
C4	C1	C3	H16	180.0°	180.0°
C4	C1	C3	H17	60.0°	59.9°
C4	C1	C3	H18	60.0°	60.0°
C4	C1	C2	H19	180.0°	60.0°
C4	C1	C2	H20	60.0°	60.0°
C4	C1	C2	H21	60.0°	180.0°
C3	C1	OH	C2	124.4°	120.0°
C3	C1	OH	NH1	118.2°	60.0°
C3	C1	C4	H13	180.0°	60.1°
C3	C1	C4	H14	60.0°	60.0°
C3	C1	C4	H15	60.0°	180.0°
C1	C3	H16	H17	120.0°	120.0°
C1	C3	H16	H18	120.0°	120.0°
C1	C3	H17	H18	120.0°	120.0°
C3	C1	C2	H19	61.7°	180.0°
C3	C1	C2	H20	178.3°	60.0°
C3	C1	C2	H21	58.3°	60.0°
C1	OH	NH1	CZ	122.8°	180.0°
C1	OH	NH1	H12	57.1°	0.0°
OH	C1	C4	H13	60.2°	59.9°
OH	C1	C4	H14	59.7°	180.0°
OH	C1	C4	H15	179.8°	60.0°
OH	C1	C3	H16	62.0°	60.0°
OH	C1	C3	H17	178.0°	179.9°
OH	C1	C3	H18	58.0°	60.0°
OH	C1	C2	H19	61.7°	60.0°
OH	C1	C2	H20	58.3°	180.0°
OH	C1	C2	H21	178.3°	60.0°
C2	C1	OH	NH1	6.2°	60.0°
C2	C1	C4	H13	57.5°	180.0°
C2	C1	C4	H14	177.4°	60.0°
C2	C1	C4	H15	62.6°	60.0°
C2	C1	C3	H16	59.3°	60.0°
C2	C1	C3	H17	60.7°	60.0°
C2	C1	C3	H18	179.3°	180.0°
C1	C2	H19	H20	120.0°	120.0°
C1	C2	H19	H21	120.0°	120.0°
C1	C2	H20	H21	120.0°	120.0°
OH	NH1	CZ	H12	180.0°	180.0°
OH	NH1	CZ	NH2	94.1°	0.0°
OH	NH1	CZ	NE	84.7°	180.0°
NH1	CZ	NH2	NE	178.8°	180.0°
NH1	CZ	NE	CD	18.9°	174.6°
NH1	CZ	NH2	H11	178.8°	174.7°
NH2	CZ	NE	CD	162.4°	5.4°
NH2	CZ	NH1	H12	85.9°	180.0°
CZ	NE	CD	CG	170.4°	175.0°
CZ	NE	CD	H10	9.6°	4.9°
NE	CZ	NH2	H11	0.0°	5.3°
NE	CZ	NH1	H12	95.3°	0.0°
OA2	C	CA	CB	63.7°	100.0°
OA2	C	CA	OA1	178.9°	179.8°
OA2	C	CA	N	174.5°	20.0°
OA2	C	OA1	H1	0.0°	0.1°
OA2	C	CA	H2	56.6°	140.0°
NE	CD	CG	CB	7.9°	125.0°
NE	CD	CG	H10	180.0°	180.0°
NE	CD	CG	H8	128.6°	5.1°
NE	CD	CG	H9	112.8°	115.0°
CG	CB	CA	H6	120.8°	119.9°
CG	CB	CA	H7	120.8°	120.1°
CB	CG	CD	H8	120.7°	120.0°
CB	CG	CD	H9	120.7°	120.0°
CG	CB	CA	C	178.0°	175.0°
CG	CB	CA	N	57.5°	64.9°
CG	CB	CA	H2	61.6°	55.1°
CG	CB	H6	H7	117.6°	120.1°
CB	CG	H8	H9	117.8°	120.0°
CB	CG	CD	H10	172.1°	55.0°
CA	CB	CG	CD	133.9°	180.0°
CB	CA	C	N	121.8°	120.1°
CB	CA	C	H2	120.2°	119.9°
CB	CA	C	OA1	117.4°	80.2°
CB	CA	N	H2	118.3°	120.0°
CB	CA	N	H3	180.0°	60.0°
CB	CA	N	H4	60.0°	63.9°
CA	CB	H6	H7	117.6°	120.0°
CA	CB	CG	H8	105.4°	60.0°
CA	CB	CG	H9	13.2°	60.0°
CD	CG	CB	H6	105.3°	60.1°
CD	CG	CB	H7	13.1°	60.0°
CD	CG	H8	H9	117.8°	120.0°
C	CA	N	H2	117.4°	120.0°
CA	C	OA1	H1	178.9°	179.7°
C	CA	N	H3	55.7°	60.0°
C	CA	N	H4	64.4°	176.0°
C	CA	CB	H6	61.3°	65.1°
C	CA	CB	H7	57.2°	54.9°
OA1	C	CA	N	4.4°	159.8°
OA1	C	CA	H2	122.4°	39.8°
CA	N	H3	H4	120.0°	124.0°
N	CA	CB	H6	178.2°	55.0°
N	CA	CB	H7	63.3°	175.0°
H2	CA	N	H3	61.7°	180.0°
H2	CA	N	H4	178.3°	56.1°
H2	CA	CB	H6	59.1°	175.0°
H2	CA	CB	H7	177.6°	65.0°
H6	CB	CG	H8	15.4°	179.9°
H6	CB	CG	H9	134.0°	59.9°
H7	CB	CG	H8	133.9°	60.0°
H7	CB	CG	H9	107.6°	180.0°
H8	CG	CD	H10	51.3°	175.0°
H9	CG	CD	H10	67.2°	65.0°
H13	C4	H14	H15	120.0°	120.1°
H16	C3	H17	H18	120.0°	120.0°
H19	C2	H20	H21	120.0°	120.1°

Release date:	2013-05-15
Definition date:	2012-09-04
Last modified:	2013-05-10
Release status:	REL
Processing site:	RCSB
Derived from:	4GQE