DH4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAE	CAF	sing	1.53Å	1.54Å
CAE	CAG	sing	1.51Å	1.54Å
CAF	CAH	sing	1.47Å	1.54Å
CAH	CAJ	sing	1.55Å	1.54Å
CAG	CAI	sing	1.54Å	1.55Å
CAJ	NAL	sing	1.45Å	1.49Å
CAI	NAL	sing	1.48Å	1.45Å
NAL	CAC	sing	1.37Å	1.31Å
CAC	N	doub	1.29Å	1.30Å
N	CA	sing	1.46Å	1.45Å
O	C	doub	1.21Å	1.22Å
CA	C	sing	1.51Å	1.51Å
C	H1	sing	1.08Å	1.08Å
CA	H2	sing	1.09Å	1.10Å
CAC	H4	sing	1.08Å	1.08Å
CAE	H5	sing	1.09Å	1.10Å
CAE	H6	sing	1.09Å	1.10Å
CAF	H7	sing	1.09Å	1.10Å
CAF	H8	sing	1.09Å	1.10Å
CAG	H9	sing	1.09Å	1.10Å
CAG	H10	sing	1.09Å	1.10Å
CAH	H11	sing	1.09Å	1.10Å
CAH	H12	sing	1.09Å	1.10Å
CAI	H13	sing	1.09Å	1.10Å
CAI	H14	sing	1.09Å	1.10Å
CAJ	H15	sing	1.09Å	1.10Å
CAJ	H16	sing	1.09Å	1.10Å
CA	C6	sing	1.53Å	16.56Å
C6	N1	sing	1.49Å	0.00Å
N1	C3	sing	1.47Å	0.00Å
C3	C4	sing	1.54Å	0.00Å
C4	S1	sing	1.84Å	0.00Å
S1	C6	sing	1.84Å	0.00Å
N1	H3	sing	1.01Å	0.00Å
C3	H18	sing	1.09Å	0.00Å
C6	H24	sing	1.09Å	0.00Å
C4	C1	sing	1.53Å	0.00Å
C4	C2	sing	1.53Å	0.00Å
C1	H17	sing	1.09Å	0.00Å
C1	H20	sing	1.09Å	0.00Å
C1	H21	sing	1.09Å	0.00Å
C2	H22	sing	1.09Å	0.00Å
C2	H23	sing	1.09Å	0.00Å
C2	H25	sing	1.09Å	0.00Å
C3	C5	sing	1.51Å	0.00Å
C5	O1	sing	1.34Å	0.00Å
C5	O2	doub	1.21Å	0.00Å
O1	H26	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAF	CAE	CAG	113.2°	109.4°
CAE	CAF	CAH	111.8°	114.3°
CAF	CAE	H5	108.5°	109.5°
CAF	CAE	H6	108.5°	109.5°
CAE	CAF	H7	108.9°	108.5°
CAE	CAF	H8	108.9°	108.5°
CAE	CAG	CAI	109.3°	110.1°
CAG	CAE	H5	108.6°	109.5°
CAG	CAE	H6	108.5°	109.5°
CAE	CAG	H9	109.5°	109.4°
CAE	CAG	H10	109.5°	109.3°
CAF	CAH	CAJ	110.6°	110.4°
CAH	CAF	H7	108.9°	108.4°
CAH	CAF	H8	108.9°	108.5°
CAF	CAH	H11	109.2°	109.3°
CAF	CAH	H12	109.2°	109.3°
CAH	CAJ	NAL	113.4°	109.6°
CAJ	CAH	H11	109.2°	109.3°
CAJ	CAH	H12	109.2°	109.3°
CAH	CAJ	H15	108.5°	109.4°
CAH	CAJ	H16	108.5°	109.5°
CAG	CAI	NAL	108.3°	112.1°
CAI	CAG	H9	109.6°	109.3°
CAI	CAG	H10	109.5°	109.4°
CAG	CAI	H13	109.8°	109.0°
CAG	CAI	H14	109.8°	108.9°
CAJ	NAL	CAI	124.9°	122.7°
CAJ	NAL	CAC	119.7°	118.6°
NAL	CAJ	H15	108.5°	109.4°
NAL	CAJ	H16	108.5°	109.4°
CAI	NAL	CAC	115.3°	118.6°
NAL	CAI	H13	109.8°	108.9°
NAL	CAI	H14	109.8°	108.9°
NAL	CAC	N	121.7°	120.0°
NAL	CAC	H4	119.1°	120.0°
CAC	N	CA	115.9°	120.0°
N	CAC	H4	119.1°	120.0°
N	CA	C	109.1°	109.5°
N	CA	H2	123.8°	109.5°
N	CA	C6	53.8°	109.5°
O	C	CA	125.5°	120.0°
O	C	H1	117.3°	120.0°
CA	C	H1	117.3°	120.0°
C	CA	H2	122.2°	109.5°
C	CA	C6	101.2°	109.5°
H2	CA	C6	92.8°	109.5°
H5	CAE	H6	109.5°	109.5°
H7	CAF	H8	109.5°	108.4°
H9	CAG	H10	109.5°	109.3°
H11	CAH	H12	109.5°	109.2°
H13	CAI	H14	109.5°	108.9°
H15	CAJ	H16	109.5°	109.5°
CA	C6	N1	90.0°	111.1°
CA	C6	S1	90.0°	111.1°
CA	C6	H24	90.0°	111.0°
C6	N1	C3	90.0°	110.9°
N1	C6	S1	90.0°	100.9°
C6	N1	H3	90.0°	111.0°
N1	C6	H24	90.0°	111.2°
N1	C3	C4	90.0°	112.9°
C3	N1	H3	90.0°	111.0°
N1	C3	H18	90.0°	108.8°
N1	C3	C5	90.0°	108.8°
C3	C4	S1	90.0°	103.5°
C4	C3	H18	90.0°	108.9°
C3	C4	C1	90.0°	110.6°
C3	C4	C2	90.0°	110.6°
C4	C3	C5	90.0°	108.8°
C4	S1	C6	90.0°	94.9°
S1	C4	C1	90.0°	110.6°
S1	C4	C2	90.0°	110.7°
S1	C6	H24	90.0°	111.2°
H18	C3	C5	90.0°	108.6°
C1	C4	C2	90.0°	110.7°
C4	C1	H17	90.0°	109.4°
C4	C1	H20	90.0°	109.4°
C4	C1	H21	90.0°	109.5°
C4	C2	H22	90.0°	109.4°
C4	C2	H23	90.0°	109.5°
C4	C2	H25	90.0°	109.5°
H17	C1	H20	90.0°	109.5°
H17	C1	H21	90.0°	109.5°
H20	C1	H21	90.0°	109.5°
H22	C2	H23	90.0°	109.5°
H22	C2	H25	90.0°	109.5°
H23	C2	H25	90.0°	109.5°
C3	C5	O1	90.0°	120.0°
C3	C5	O2	90.0°	120.0°
O1	C5	O2	90.0°	120.0°
C5	O1	H26	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAF	CAE	CAG	H5	120.5°	120.0°
CAF	CAE	CAG	H6	120.5°	120.0°
CAE	CAF	CAH	H7	120.3°	121.2°
CAE	CAF	CAH	H8	120.3°	121.3°
CAE	CAF	CAH	CAJ	87.7°	62.8°
CAF	CAE	CAG	CAI	70.1°	91.9°
CAF	CAE	H5	H6	118.3°	120.1°
CAE	CAF	H7	H8	118.9°	117.7°
CAF	CAE	CAG	H9	49.9°	148.0°
CAF	CAE	CAG	H10	169.9°	28.3°
CAE	CAF	CAH	H11	32.4°	176.9°
CAE	CAF	CAH	H12	152.1°	57.5°
CAG	CAE	CAF	CAH	71.3°	85.0°
CAE	CAG	CAI	H9	120.0°	120.2°
CAE	CAG	CAI	H10	120.0°	120.2°
CAE	CAG	CAI	NAL	86.5°	40.6°
CAG	CAE	H5	H6	118.3°	120.0°
CAG	CAE	CAF	H7	168.4°	36.2°
CAG	CAE	CAF	H8	49.1°	153.8°
CAE	CAG	H9	H10	120.1°	119.6°
CAE	CAG	CAI	H13	153.7°	80.1°
CAE	CAG	CAI	H14	33.3°	161.2°
CAF	CAH	CAJ	H11	120.2°	120.3°
CAF	CAH	CAJ	H12	120.2°	120.3°
CAF	CAH	CAJ	NAL	66.0°	71.2°
CAH	CAF	CAE	H5	168.2°	35.0°
CAH	CAF	CAE	H6	49.3°	155.1°
CAH	CAF	H7	H8	118.9°	117.6°
CAF	CAH	H11	H12	119.5°	119.6°
CAF	CAH	CAJ	H15	173.4°	48.8°
CAF	CAH	CAJ	H16	54.6°	168.7°
CAH	CAJ	NAL	H15	120.6°	120.0°
CAH	CAJ	NAL	H16	120.6°	120.1°
CAH	CAJ	NAL	CAI	5.4°	90.7°
CAH	CAJ	NAL	CAC	172.0°	89.3°
CAJ	CAH	CAF	H7	151.9°	58.4°
CAJ	CAH	CAF	H8	32.6°	176.0°
CAJ	CAH	H11	H12	119.5°	119.5°
CAH	CAJ	H15	H16	118.2°	120.0°
CAG	CAI	NAL	CAJ	74.1°	42.1°
CAG	CAI	NAL	H13	119.8°	120.7°
CAG	CAI	NAL	H14	119.8°	120.6°
CAG	CAI	NAL	CAC	103.4°	137.9°
CAI	CAG	CAE	H5	169.3°	28.1°
CAI	CAG	CAE	H6	50.4°	148.1°
CAI	CAG	H9	H10	120.1°	119.7°
CAG	CAI	H13	H14	120.6°	118.7°
CAJ	NAL	CAI	CAC	177.5°	180.0°
CAJ	NAL	CAC	N	0.8°	0.1°
CAJ	NAL	CAC	H4	179.3°	180.0°
NAL	CAJ	CAH	H11	54.2°	168.5°
NAL	CAJ	CAH	H12	173.8°	49.0°
CAJ	NAL	CAI	H13	166.1°	162.9°
CAJ	NAL	CAI	H14	45.7°	78.5°
NAL	CAJ	H15	H16	118.2°	119.9°
CAI	NAL	CAC	N	178.4°	180.0°
CAI	NAL	CAC	H4	1.6°	0.0°
NAL	CAI	CAG	H9	33.5°	160.7°
NAL	CAI	CAG	H10	153.5°	79.6°
NAL	CAI	H13	H14	120.6°	118.7°
CAI	NAL	CAJ	H15	115.2°	29.3°
CAI	NAL	CAJ	H16	125.9°	149.2°
NAL	CAC	N	H4	180.0°	180.0°
NAL	CAC	N	CA	175.4°	180.0°
CAC	NAL	CAI	H13	16.4°	17.2°
CAC	NAL	CAI	H14	136.8°	101.5°
CAC	NAL	CAJ	H15	67.4°	150.7°
CAC	NAL	CAJ	H16	51.5°	30.8°
CAC	N	CA	C	127.1°	120.1°
CAC	N	CA	H2	77.4°	0.1°
CAC	N	CA	C6	142.8°	119.9°
N	CA	C	O	21.6°	0.2°
N	CA	C	H2	155.9°	120.0°
N	CA	C	C6	55.4°	120.0°
N	CA	C	H1	158.4°	180.0°
N	CA	H2	C6	47.3°	120.0°
CA	N	CAC	H4	4.6°	0.1°
N	CA	C6	N1	90.0°	72.0°
N	CA	C6	S1	90.0°	176.5°
N	CA	C6	H24	90.0°	52.2°
O	C	CA	H1	180.0°	179.8°
O	C	CA	H2	177.5°	120.2°
O	C	CA	C6	77.0°	119.8°
C	CA	H2	C6	105.1°	120.0°
C	CA	C6	N1	90.0°	48.0°
C	CA	C6	S1	90.0°	63.5°
C	CA	C6	H24	90.0°	172.2°
H1	C	CA	H2	2.5°	60.0°
H1	C	CA	C6	103.1°	60.0°
H2	CA	C6	N1	90.0°	168.0°
H2	CA	C6	S1	90.0°	56.5°
H2	CA	C6	H24	90.0°	67.8°
H5	CAE	CAF	H7	47.8°	156.2°
H5	CAE	CAF	H8	71.5°	86.3°
H5	CAE	CAG	H9	70.7°	92.0°
H5	CAE	CAG	H10	49.4°	148.3°
H6	CAE	CAF	H7	71.1°	83.8°
H6	CAE	CAF	H8	169.6°	33.8°
H6	CAE	CAG	H9	170.4°	28.0°
H6	CAE	CAG	H10	69.6°	91.7°
H7	CAF	CAH	H11	87.9°	61.9°
H7	CAF	CAH	H12	31.7°	178.7°
H8	CAF	CAH	H11	152.8°	55.7°
H8	CAF	CAH	H12	87.6°	63.8°
H9	CAG	CAI	H13	86.3°	40.0°
H9	CAG	CAI	H14	153.3°	78.6°
H10	CAG	CAI	H13	33.7°	159.7°
H10	CAG	CAI	H14	86.7°	41.1°
H11	CAH	CAJ	H15	66.4°	71.6°
H11	CAH	CAJ	H16	174.7°	48.4°
H12	CAH	CAJ	H15	53.2°	169.0°
H12	CAH	CAJ	H16	65.6°	71.0°
CA	C6	N1	S1	90.0°	117.9°
CA	C6	N1	H24	90.0°	124.2°
CA	C6	N1	C3	90.0°	160.4°
CA	C6	S1	C4	90.0°	152.5°
CA	C6	S1	H24	90.0°	124.1°
CA	C6	N1	H3	90.0°	36.5°
C6	N1	C3	H3	90.0°	123.9°
C6	N1	C3	C4	90.0°	31.9°
N1	C6	S1	C4	90.0°	34.6°
N1	C6	S1	H24	90.0°	118.0°
C6	N1	C3	H18	90.0°	89.1°
C6	N1	C3	C5	90.0°	152.8°
N1	C3	C4	H18	90.0°	120.9°
N1	C3	C4	C5	90.0°	120.9°
N1	C3	C4	S1	90.0°	3.9°
C3	N1	C6	S1	90.0°	42.5°
N1	C3	H18	C5	90.0°	118.3°
C3	N1	C6	H24	90.0°	75.5°
N1	C3	C4	C1	90.0°	122.4°
N1	C3	C4	C2	90.0°	114.6°
N1	C3	C5	O1	90.0°	161.5°
N1	C3	C5	O2	90.0°	18.6°
C3	C4	S1	C1	90.0°	118.5°
C3	C4	S1	C2	90.0°	118.6°
C3	C4	S1	C6	90.0°	18.3°
C4	C3	N1	H3	90.0°	92.0°
C4	C3	H18	C5	90.0°	118.4°
C3	C4	C1	C2	90.0°	122.9°
C3	C4	C1	H17	90.0°	60.0°
C3	C4	C1	H20	90.0°	180.0°
C3	C4	C1	H21	90.0°	60.0°
C3	C4	C2	H22	90.0°	60.1°
C3	C4	C2	H23	90.0°	180.0°
C3	C4	C2	H25	90.0°	59.9°
C4	C3	C5	O1	90.0°	75.2°
C4	C3	C5	O2	90.0°	104.7°
S1	C4	C3	H18	90.0°	117.0°
C4	S1	C6	H24	90.0°	83.4°
S1	C4	C1	C2	90.0°	123.0°
S1	C4	C1	H17	90.0°	174.1°
S1	C4	C1	H20	90.0°	65.9°
S1	C4	C1	H21	90.0°	54.1°
S1	C4	C2	H22	90.0°	54.1°
S1	C4	C2	H23	90.0°	65.9°
S1	C4	C2	H25	90.0°	174.1°
S1	C4	C3	C5	90.0°	124.8°
S1	C6	N1	H3	90.0°	81.4°
C6	S1	C4	C1	90.0°	100.1°
C6	S1	C4	C2	90.0°	136.9°
H3	N1	C3	H18	90.0°	147.1°
H3	N1	C6	H24	90.0°	160.6°
H3	N1	C3	C5	90.0°	28.9°
H18	C3	C4	C1	90.0°	1.5°
H18	C3	C4	C2	90.0°	124.5°
H18	C3	C5	O1	90.0°	43.2°
H18	C3	C5	O2	90.0°	136.9°
C4	C1	H17	H20	90.0°	119.9°
C4	C1	H17	H21	90.0°	120.0°
C4	C1	H20	H21	90.0°	120.0°
C1	C4	C2	H22	90.0°	177.0°
C1	C4	C2	H23	90.0°	57.0°
C1	C4	C2	H25	90.0°	63.0°
C1	C4	C3	C5	90.0°	116.7°
C2	C4	C1	H17	90.0°	62.9°
C2	C4	C1	H20	90.0°	57.0°
C2	C4	C1	H21	90.0°	177.0°
C4	C2	H22	H23	90.0°	120.0°
C4	C2	H22	H25	90.0°	120.0°
C4	C2	H23	H25	90.0°	120.0°
C2	C4	C3	C5	90.0°	6.2°
H17	C1	H20	H21	90.0°	120.1°
H22	C2	H23	H25	90.0°	120.0°
C3	C5	O1	O2	90.0°	179.9°
C3	C5	O1	H26	90.0°	180.0°
O2	C5	O1	H26	90.0°	0.0°

Definition date:	2010-06-25
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3NC8