I5R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.21Å	1.22Å
C	CA	sing	1.51Å	1.42Å
C	NAL	sing	1.35Å	1.36Å
CA	N	sing	1.47Å	1.46Å
CA	CB	sing	1.53Å	1.56Å
N	CAQ	sing	1.40Å	1.35Å
CD1	NE1	sing	1.37Å	1.33Å	Aromatic
CD1	CG	doub	1.34Å	1.34Å	Aromatic
NAL	CAR	sing	1.40Å	1.40Å
NE1	CE2	sing	1.38Å	1.34Å	Aromatic
CB	CG	sing	1.51Å	1.55Å
CAQ	CAR	doub	1.40Å	1.52Å	Aromatic
CAQ	CAF	sing	1.39Å	1.38Å	Aromatic
CG	CD2	sing	1.47Å	1.33Å	Aromatic
CAR	NAK	sing	1.32Å	1.23Å	Aromatic
CAF	CAD	doub	1.39Å	1.37Å	Aromatic
CE2	CD2	doub	1.41Å	1.35Å	Aromatic
CE2	CZ2	sing	1.39Å	1.34Å	Aromatic
NAK	CAE	doub	1.32Å	1.42Å	Aromatic
CD2	CE3	sing	1.40Å	1.36Å	Aromatic
CAD	CAE	sing	1.38Å	1.41Å	Aromatic
CZ2	CH2	doub	1.38Å	1.39Å	Aromatic
CE3	CZ3	doub	1.37Å	1.40Å	Aromatic
CH2	CZ3	sing	1.39Å	1.39Å	Aromatic
NAL	H1	sing	0.97Å	1.00Å
CAE	H2	sing	1.08Å	1.08Å
CAD	H3	sing	1.08Å	1.08Å
CAF	H4	sing	1.08Å	1.08Å
N	H5	sing	0.97Å	1.00Å
CA	H6	sing	1.09Å	1.10Å
CB	H7	sing	1.09Å	1.10Å
CB	H8	sing	1.09Å	1.10Å
CE3	H9	sing	1.08Å	1.08Å
CZ3	H10	sing	1.08Å	1.08Å
CH2	H11	sing	1.08Å	1.08Å
CZ2	H12	sing	1.08Å	1.08Å
NE1	H13	sing	0.97Å	1.00Å
CD1	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CA	118.7°	119.6°
O	C	NAL	117.0°	119.5°
CA	C	NAL	121.1°	120.8°
C	CA	N	113.0°	109.0°
C	CA	CB	103.2°	109.6°
C	CA	H6	114.4°	109.5°
C	NAL	CAR	124.9°	121.0°
C	NAL	H1	117.6°	119.5°
N	CA	CB	98.5°	109.4°
CA	N	CAQ	122.6°	118.1°
CA	N	H5	106.1°	120.9°
N	CA	H6	113.8°	109.6°
CA	CB	CG	110.5°	109.5°
CB	CA	H6	112.3°	109.7°
CA	CB	H7	109.2°	109.5°
CA	CB	H8	109.2°	109.5°
N	CAQ	CAR	121.0°	119.2°
N	CAQ	CAF	123.3°	121.1°
CAQ	N	H5	106.1°	121.1°
NE1	CD1	CG	106.3°	109.9°
CD1	NE1	CE2	109.1°	109.8°
CD1	NE1	H13	125.5°	125.1°
NE1	CD1	H14	126.9°	125.0°
CD1	CG	CB	119.2°	126.5°
CD1	CG	CD2	110.6°	107.0°
CG	CD1	H14	126.9°	125.0°
NAL	CAR	CAQ	112.5°	119.4°
NAL	CAR	NAK	125.9°	120.5°
CAR	NAL	H1	117.6°	119.5°
NE1	CE2	CD2	108.0°	107.2°
NE1	CE2	CZ2	130.5°	133.5°
CE2	NE1	H13	125.5°	125.1°
CB	CG	CD2	130.2°	126.5°
CG	CB	H7	109.2°	109.5°
CG	CB	H8	109.2°	109.5°
CAR	CAQ	CAF	114.6°	119.6°
CAQ	CAR	NAK	121.1°	120.1°
CAQ	CAF	CAD	123.2°	118.2°
CAQ	CAF	H4	118.4°	120.9°
CG	CD2	CE2	106.1°	106.0°
CG	CD2	CE3	135.1°	134.0°
CAR	NAK	CAE	123.5°	121.6°
CAF	CAD	CAE	118.7°	119.2°
CAF	CAD	H3	120.6°	120.4°
CAD	CAF	H4	118.4°	120.9°
CD2	CE2	CZ2	121.6°	119.3°
CE2	CD2	CE3	118.8°	119.9°
CE2	CZ2	CH2	121.4°	119.8°
CE2	CZ2	H12	119.3°	120.1°
NAK	CAE	CAD	118.4°	121.3°
NAK	CAE	H2	120.8°	119.3°
CD2	CE3	CZ3	121.6°	119.8°
CD2	CE3	H9	119.2°	120.1°
CAD	CAE	H2	120.8°	119.4°
CAE	CAD	H3	120.7°	120.4°
CZ2	CH2	CZ3	118.2°	120.7°
CZ2	CH2	H11	120.9°	119.7°
CH2	CZ2	H12	119.3°	120.1°
CE3	CZ3	CH2	118.4°	120.5°
CZ3	CE3	H9	119.2°	120.1°
CE3	CZ3	H10	120.8°	119.8°
CH2	CZ3	H10	120.8°	119.8°
CZ3	CH2	H11	120.9°	119.6°
H7	CB	H8	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CA	NAL	159.1°	179.8°
O	C	CA	N	175.2°	149.6°
O	C	CA	CB	79.4°	90.8°
O	C	NAL	CAR	177.8°	173.8°
O	C	NAL	H1	2.2°	6.2°
O	C	CA	H6	42.9°	29.6°
C	CA	N	CB	108.4°	119.8°
C	CA	N	H6	132.7°	119.9°
C	CA	CB	H6	123.7°	120.3°
C	CA	N	CAQ	15.6°	40.8°
CA	C	NAL	CAR	18.4°	5.9°
C	CA	CB	CG	179.4°	175.0°
CA	C	NAL	H1	161.7°	174.0°
C	CA	N	H5	106.2°	139.0°
C	CA	CB	H7	59.2°	55.0°
C	CA	CB	H8	60.5°	65.0°
NAL	C	CA	N	25.6°	30.2°
NAL	C	CA	CB	79.8°	89.5°
C	NAL	CAR	H1	180.0°	180.0°
C	NAL	CAR	CAQ	0.7°	10.4°
C	NAL	CAR	NAK	172.7°	170.5°
NAL	C	CA	H6	158.0°	150.2°
N	CA	CB	H6	120.1°	120.3°
CA	N	CAQ	H5	121.8°	179.8°
N	CA	CB	CG	64.4°	65.6°
CA	N	CAQ	CAR	2.0°	28.4°
CA	N	CAQ	CAF	169.5°	152.2°
N	CA	CB	H7	175.4°	174.4°
N	CA	CB	H8	55.7°	54.5°
CB	CA	N	CAQ	92.7°	79.0°
CA	CB	CG	CD1	77.9°	95.3°
CA	CB	CG	H7	120.2°	120.0°
CA	CB	CG	H8	120.1°	120.0°
CA	CB	CG	CD2	103.3°	85.0°
CB	CA	N	H5	145.5°	101.2°
CA	CB	H7	H8	119.5°	120.0°
N	CAQ	CAR	NAL	10.7°	0.9°
N	CAQ	CAR	CAF	168.5°	179.4°
N	CAQ	CAR	NAK	176.9°	178.2°
N	CAQ	CAF	CAD	174.8°	178.9°
N	CAQ	CAF	H4	5.2°	1.2°
CAQ	N	CA	H6	148.3°	160.7°
NE1	CD1	CG	H14	180.0°	179.5°
CD1	NE1	CE2	H13	180.0°	179.7°
NE1	CD1	CG	CB	179.8°	179.8°
NE1	CD1	CG	CD2	0.8°	0.5°
CD1	NE1	CE2	CD2	0.2°	0.3°
CD1	NE1	CE2	CZ2	179.6°	179.7°
CG	CD1	NE1	CE2	0.6°	0.5°
CD1	CG	CB	CD2	178.8°	179.7°
CD1	CG	CD2	CE2	0.6°	0.3°
CD1	CG	CD2	CE3	179.9°	179.8°
CD1	CG	CB	H7	42.3°	144.7°
CD1	CG	CB	H8	162.0°	24.7°
CG	CD1	NE1	H13	179.4°	179.9°
NAL	CAR	CAQ	NAK	172.4°	179.1°
NAL	CAR	CAQ	CAF	179.2°	179.7°
NAL	CAR	NAK	CAE	177.6°	179.8°
NE1	CE2	CD2	CG	0.3°	0.0°
NE1	CE2	CD2	CZ2	179.8°	180.0°
NE1	CE2	CD2	CE3	179.8°	180.0°
NE1	CE2	CZ2	CH2	179.8°	180.0°
NE1	CE2	CZ2	H12	0.2°	0.0°
CE2	NE1	CD1	H14	179.4°	180.0°
CB	CG	CD2	CE2	179.5°	180.0°
CB	CG	CD2	CE3	1.0°	0.0°
CG	CB	CA	H6	55.7°	54.7°
CG	CB	H7	H8	119.6°	120.0°
CB	CG	CD1	H14	0.2°	0.3°
CAR	CAQ	CAF	CAD	6.6°	0.6°
CAQ	CAR	NAK	CAE	6.2°	1.1°
CAQ	CAR	NAL	H1	179.3°	169.7°
CAR	CAQ	CAF	H4	173.4°	179.4°
CAR	CAQ	N	H5	123.8°	151.4°
CAF	CAQ	CAR	NAK	8.4°	1.2°
CAQ	CAF	CAD	H4	180.0°	179.9°
CAQ	CAF	CAD	CAE	2.8°	0.2°
CAQ	CAF	CAD	H3	177.2°	179.8°
CAF	CAQ	N	H5	68.6°	28.0°
CG	CD2	CE2	CE3	179.6°	180.0°
CG	CD2	CE2	CZ2	179.9°	180.0°
CG	CD2	CE3	CZ3	179.6°	180.0°
CD2	CG	CB	H7	136.6°	35.0°
CD2	CG	CB	H8	16.8°	155.0°
CG	CD2	CE3	H9	0.4°	0.0°
CD2	CG	CD1	H14	179.2°	180.0°
CAR	NAK	CAE	CAD	1.9°	0.3°
NAK	CAR	NAL	H1	7.3°	9.5°
CAR	NAK	CAE	H2	178.1°	179.7°
CAF	CAD	CAE	NAK	0.1°	0.3°
CAF	CAD	CAE	H3	180.0°	180.0°
CAF	CAD	CAE	H2	179.9°	179.7°
CD2	CE2	CZ2	CH2	0.4°	0.0°
CE2	CD2	CE3	CZ3	0.2°	0.1°
CE2	CD2	CE3	H9	179.8°	180.0°
CD2	CE2	CZ2	H12	179.6°	180.0°
CD2	CE2	NE1	H13	179.8°	179.9°
CZ2	CE2	CD2	CE3	0.3°	0.0°
CE2	CZ2	CH2	H12	180.0°	180.0°
CE2	CZ2	CH2	CZ3	0.3°	0.0°
CE2	CZ2	CH2	H11	179.7°	180.0°
CZ2	CE2	NE1	H13	0.4°	0.1°
NAK	CAE	CAD	H2	180.0°	180.0°
NAK	CAE	CAD	H3	179.9°	179.6°
CD2	CE3	CZ3	H9	180.0°	180.0°
CD2	CE3	CZ3	CH2	0.1°	0.0°
CD2	CE3	CZ3	H10	179.9°	180.0°
CAE	CAD	CAF	H4	177.2°	179.9°
CZ2	CH2	CZ3	CE3	0.2°	0.0°
CZ2	CH2	CZ3	H11	180.0°	180.0°
CZ2	CH2	CZ3	H10	179.8°	180.0°
CE3	CZ3	CH2	H10	180.0°	180.0°
CE3	CZ3	CH2	H11	179.8°	180.0°
CH2	CZ3	CE3	H9	179.9°	180.0°
CZ3	CH2	CZ2	H12	179.7°	180.0°
H2	CAE	CAD	H3	0.1°	0.4°
H3	CAD	CAF	H4	2.8°	0.1°
H5	N	CA	H6	26.5°	19.1°
H6	CA	CB	H7	64.5°	65.3°
H6	CA	CB	H8	175.8°	174.7°
H9	CE3	CZ3	H10	0.1°	0.0°
H10	CZ3	CH2	H11	0.2°	0.0°
H11	CH2	CZ2	H12	0.3°	0.1°
H13	NE1	CD1	H14	0.6°	0.3°

Release date:	2013-03-20
Definition date:	2013-02-25
Last modified:	2013-03-15
Release status:	REL
Processing site:	RCSB
Derived from:	4J1R