BQW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAA	CAM	sing	1.51Å	1.54Å
CAG	SAK	sing	1.84Å	1.74Å
CAG	CAO	sing	1.55Å	1.35Å
SAK	CAP	sing	1.84Å	1.68Å
CAM	CAO	sing	1.51Å	1.34Å
CAM	OAE	doub	1.21Å	1.24Å
CAO	NAH	sing	1.47Å	1.35Å
NAH	CAP	sing	1.47Å	1.34Å
CAP	NAI	sing	1.46Å	1.35Å
O	C	doub	1.21Å	1.23Å
NAI	C	sing	1.35Å	1.35Å
CB	CA	sing	1.53Å	1.54Å
C	CA	sing	1.51Å	1.54Å
CA	N	sing	1.47Å	1.46Å
N	CAL	sing	1.37Å	1.34Å
CAL	NAC	doub	1.30Å	1.34Å
CAL	NAD	sing	1.38Å	1.34Å
N	H1	sing	0.97Å	1.00Å
CA	H2	sing	1.09Å	1.10Å
CB	H3	sing	1.09Å	1.10Å
CB	H4	sing	1.09Å	1.10Å
CB	H5	sing	1.09Å	1.10Å
CAA	H6	sing	1.09Å	1.10Å
CAA	H7	sing	1.09Å	1.10Å
CAA	H8	sing	1.09Å	1.10Å
CAG	H9	sing	1.09Å	1.10Å
NAC	H10	sing	0.97Å	1.00Å
NAD	H11	sing	0.97Å	1.00Å
NAD	H12	sing	0.97Å	1.00Å
NAI	H13	sing	0.97Å	1.00Å
CAG	H14	sing	1.09Å	1.10Å
CAO	H15	sing	1.09Å	1.10Å
CAP	H16	sing	1.09Å	1.10Å
NAH	H17	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAA	CAM	CAO	116.2°	120.0°
CAA	CAM	OAE	121.7°	120.0°
CAM	CAA	H6	109.5°	109.4°
CAM	CAA	H7	109.4°	109.5°
CAM	CAA	H8	109.5°	109.5°
SAK	CAG	CAO	105.9°	99.8°
CAG	SAK	CAP	94.6°	94.9°
SAK	CAG	H9	110.3°	111.3°
SAK	CAG	H14	110.3°	111.3°
CAG	CAO	CAM	123.3°	109.5°
CAG	CAO	NAH	115.9°	109.5°
CAO	CAG	H9	110.4°	111.3°
CAO	CAG	H14	110.4°	111.3°
CAG	CAO	H15	90.0°	109.4°
SAK	CAP	NAH	108.5°	105.0°
SAK	CAP	NAI	129.6°	110.3°
SAK	CAP	H16	90.3°	110.4°
CAO	CAM	OAE	122.0°	120.0°
CAM	CAO	NAH	120.9°	109.5°
CAM	CAO	H15	90.0°	109.5°
CAO	NAH	CAP	115.2°	114.9°
NAH	CAO	H15	90.0°	109.5°
CAO	NAH	H17	108.0°	111.0°
NAH	CAP	NAI	121.9°	110.4°
NAH	CAP	H16	90.3°	110.3°
CAP	NAH	H17	108.0°	111.0°
CAP	NAI	C	122.4°	120.0°
CAP	NAI	H13	118.8°	120.0°
NAI	CAP	H16	90.3°	110.3°
O	C	NAI	125.6°	120.0°
O	C	CA	119.8°	120.0°
NAI	C	CA	114.6°	120.0°
C	NAI	H13	118.8°	120.0°
CB	CA	C	109.0°	109.5°
CB	CA	N	107.9°	109.5°
CB	CA	H2	109.3°	109.5°
CA	CB	H3	109.5°	109.4°
CA	CB	H4	109.5°	109.5°
CA	CB	H5	109.4°	109.5°
C	CA	N	111.1°	109.4°
C	CA	H2	109.2°	109.5°
CA	N	CAL	123.9°	120.0°
CA	N	H1	118.1°	120.0°
N	CA	H2	110.2°	109.5°
N	CAL	NAC	120.1°	120.0°
N	CAL	NAD	119.5°	120.0°
CAL	N	H1	118.1°	120.0°
NAC	CAL	NAD	120.3°	120.0°
CAL	NAC	H10	112.0°	120.0°
CAL	NAD	H11	120.0°	120.0°
CAL	NAD	H12	120.0°	120.0°
H3	CB	H4	109.5°	109.5°
H3	CB	H5	109.5°	109.4°
H4	CB	H5	109.5°	109.5°
H6	CAA	H7	109.5°	109.4°
H6	CAA	H8	109.5°	109.5°
H7	CAA	H8	109.5°	109.5°
H9	CAG	H14	109.5°	111.3°
H11	NAD	H12	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAA	CAM	CAO	CAG	3.6°	75.0°
CAA	CAM	CAO	OAE	179.2°	180.0°
CAA	CAM	CAO	NAH	176.4°	165.0°
CAM	CAA	H6	H7	120.0°	119.9°
CAM	CAA	H6	H8	120.0°	120.0°
CAM	CAA	H7	H8	120.0°	120.0°
CAA	CAM	CAO	H15	86.4°	44.9°
SAK	CAG	CAO	H9	119.4°	117.6°
SAK	CAG	CAO	H14	119.4°	117.6°
SAK	CAG	CAO	CAM	179.6°	160.5°
SAK	CAG	CAO	NAH	0.3°	40.4°
CAG	SAK	CAP	NAH	0.0°	18.6°
CAG	SAK	CAP	NAI	179.1°	137.5°
SAK	CAG	H9	H14	121.6°	124.8°
SAK	CAG	CAO	H15	90.4°	79.6°
CAG	SAK	CAP	H16	90.3°	100.3°
CAO	CAG	SAK	CAP	0.2°	33.3°
CAG	CAO	CAM	NAH	179.9°	120.0°
CAG	CAO	CAM	H15	90.0°	119.9°
CAG	CAO	CAM	OAE	177.2°	105.0°
CAG	CAO	NAH	H15	90.0°	120.0°
CAG	CAO	NAH	CAP	0.4°	30.7°
CAO	CAG	H9	H14	121.7°	124.8°
CAG	CAO	NAH	H17	120.5°	157.6°
SAK	CAP	NAH	CAO	0.2°	4.0°
SAK	CAP	NAH	NAI	179.1°	118.9°
SAK	CAP	NAH	H16	90.4°	119.0°
SAK	CAP	NAI	H16	90.6°	122.3°
SAK	CAP	NAI	C	0.5°	78.0°
CAP	SAK	CAG	H9	119.3°	84.4°
SAK	CAP	NAI	H13	179.5°	102.1°
CAP	SAK	CAG	H14	119.6°	150.9°
SAK	CAP	NAH	H17	120.6°	130.9°
CAM	CAO	NAH	H15	90.0°	120.0°
CAM	CAO	NAH	CAP	179.5°	150.7°
CAO	CAM	CAA	H6	179.2°	90.0°
CAO	CAM	CAA	H7	59.2°	150.0°
CAO	CAM	CAA	H8	60.8°	30.0°
CAM	CAO	CAG	H9	61.0°	42.9°
CAM	CAO	CAG	H14	60.2°	81.9°
CAM	CAO	NAH	H17	59.6°	82.4°
OAE	CAM	CAO	NAH	2.7°	15.0°
OAE	CAM	CAA	H6	0.0°	90.0°
OAE	CAM	CAA	H7	120.0°	30.0°
OAE	CAM	CAA	H8	120.0°	150.0°
OAE	CAM	CAO	H15	92.8°	135.1°
CAO	NAH	CAP	H17	120.8°	126.9°
CAO	NAH	CAP	NAI	179.4°	114.9°
NAH	CAO	CAG	H9	119.1°	77.2°
NAH	CAO	CAG	H14	119.8°	158.1°
CAO	NAH	CAP	H16	90.1°	122.9°
NAH	CAP	NAI	H16	90.5°	122.2°
NAH	CAP	NAI	C	179.5°	166.4°
NAH	CAP	NAI	H13	0.5°	13.5°
CAP	NAH	CAO	H15	90.4°	89.3°
CAP	NAI	C	O	0.5°	0.1°
CAP	NAI	C	H13	180.0°	179.9°
CAP	NAI	C	CA	178.7°	180.0°
NAI	CAP	NAH	H17	58.5°	12.0°
O	C	NAI	CA	179.2°	179.9°
O	C	CA	CB	91.0°	120.0°
O	C	CA	N	150.1°	0.0°
O	C	CA	H2	28.3°	119.9°
O	C	NAI	H13	179.5°	180.0°
NAI	C	CA	CB	88.2°	60.1°
NAI	C	CA	N	30.6°	180.0°
NAI	C	CA	H2	152.5°	60.0°
C	NAI	CAP	H16	90.0°	44.3°
CB	CA	C	N	118.8°	120.0°
CB	CA	C	H2	119.4°	120.1°
CB	CA	N	H2	119.3°	120.1°
CB	CA	N	CAL	168.6°	85.0°
CB	CA	N	H1	11.4°	94.7°
CA	CB	H3	H4	120.0°	120.0°
CA	CB	H3	H5	120.0°	120.0°
CA	CB	H4	H5	120.0°	120.1°
C	CA	N	H2	121.2°	120.0°
C	CA	N	CAL	71.9°	155.0°
C	CA	N	H1	108.1°	25.3°
C	CA	CB	H3	180.0°	179.9°
C	CA	CB	H4	60.0°	60.1°
C	CA	CB	H5	60.0°	60.0°
CA	C	NAI	H13	1.3°	0.1°
CA	N	CAL	H1	180.0°	179.7°
CA	N	CAL	NAC	0.4°	179.7°
CA	N	CAL	NAD	179.3°	0.3°
N	CA	CB	H3	59.2°	60.0°
N	CA	CB	H4	179.2°	180.0°
N	CA	CB	H5	60.8°	60.0°
N	CAL	NAC	NAD	179.7°	180.0°
CAL	N	CA	H2	49.3°	35.1°
N	CAL	NAC	H10	179.7°	180.0°
N	CAL	NAD	H11	179.7°	0.0°
N	CAL	NAD	H12	0.3°	180.0°
NAC	CAL	N	H1	179.6°	0.0°
NAC	CAL	NAD	H11	0.0°	180.0°
NAC	CAL	NAD	H12	180.0°	0.0°
NAD	CAL	N	H1	0.7°	180.0°
NAD	CAL	NAC	H10	0.0°	0.0°
CAL	NAD	H11	H12	180.0°	180.0°
H1	N	CA	H2	130.7°	145.2°
H2	CA	CB	H3	60.7°	60.0°
H2	CA	CB	H4	59.4°	60.0°
H2	CA	CB	H5	179.4°	180.0°
H3	CB	H4	H5	120.0°	120.0°
H6	CAA	H7	H8	120.0°	120.1°
H9	CAG	CAO	H15	29.0°	162.8°
H13	NAI	CAP	H16	90.0°	135.6°
H14	CAG	CAO	H15	150.2°	38.1°
H15	CAO	NAH	H17	30.4°	37.7°
H16	CAP	NAH	H17	149.0°	110.2°

Release date:	2018-10-31
Definition date:	2017-10-12
Last modified:	2018-10-26
Release status:	REL
Processing site:	EBI
Derived from:	6EPX