G6B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
NAC	CAP	sing	1.40Å	1.33Å
CAP	CAH	doub	1.39Å	1.39Å	Aromatic
CAP	CAJ	sing	1.39Å	1.40Å	Aromatic
CAH	CAG	sing	1.38Å	1.39Å	Aromatic
CAJ	CAQ	doub	1.40Å	1.40Å	Aromatic
CAG	CAI	doub	1.38Å	1.40Å	Aromatic
CAA	CAN	sing	1.51Å	1.53Å
CAQ	CAI	sing	1.40Å	1.40Å	Aromatic
CAQ	CAT	sing	1.48Å	1.35Å
CAT	SAM	sing	1.76Å	1.67Å	Aromatic
CAT	CAS	doub	1.38Å	1.37Å	Aromatic
CAN	CAS	sing	1.42Å	1.36Å
CAN	OAE	doub	1.21Å	1.24Å
SAM	CAR	sing	1.76Å	1.65Å	Aromatic
CAS	NAK	sing	1.33Å	1.36Å	Aromatic
NAK	CAR	doub	1.29Å	1.34Å	Aromatic
CAR	NAL	sing	1.39Å	1.35Å
O	C	doub	1.21Å	1.23Å
NAL	C	sing	1.35Å	1.37Å
C	CA	sing	1.51Å	1.54Å
CB	CA	sing	1.53Å	1.53Å
CA	N	sing	1.47Å	1.47Å
N	H1	sing	1.01Å	1.00Å
N	H2	sing	1.01Å	1.00Å
CA	H4	sing	1.09Å	1.10Å
CB	H5	sing	1.09Å	1.10Å
CB	H6	sing	1.09Å	1.10Å
CB	H7	sing	1.09Å	1.10Å
CAA	H8	sing	1.09Å	1.10Å
CAA	H9	sing	1.09Å	1.10Å
CAA	H10	sing	1.09Å	1.10Å
CAG	H11	sing	1.08Å	1.08Å
CAH	H12	sing	1.08Å	1.08Å
CAI	H13	sing	1.08Å	1.08Å
CAJ	H14	sing	1.08Å	1.08Å
NAC	H15	sing	0.97Å	1.00Å
NAC	H16	sing	0.97Å	1.00Å
NAL	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NAC	CAP	CAH	119.5°	120.0°
NAC	CAP	CAJ	120.7°	120.0°
CAP	NAC	H15	109.5°	120.0°
CAP	NAC	H16	109.5°	120.0°
CAH	CAP	CAJ	119.8°	120.0°
CAP	CAH	CAG	119.6°	120.2°
CAP	CAH	H12	120.2°	119.8°
CAP	CAJ	CAQ	121.2°	119.8°
CAP	CAJ	H14	119.4°	120.1°
CAH	CAG	CAI	120.2°	120.3°
CAH	CAG	H11	119.9°	119.9°
CAG	CAH	H12	120.2°	119.9°
CAJ	CAQ	CAI	118.1°	119.8°
CAJ	CAQ	CAT	119.0°	120.1°
CAQ	CAJ	H14	119.4°	120.1°
CAG	CAI	CAQ	121.0°	120.0°
CAI	CAG	H11	119.9°	119.8°
CAG	CAI	H13	119.5°	120.0°
CAA	CAN	CAS	119.8°	120.0°
CAA	CAN	OAE	118.9°	120.0°
CAN	CAA	H8	109.5°	109.5°
CAN	CAA	H9	109.5°	109.4°
CAN	CAA	H10	109.4°	109.5°
CAI	CAQ	CAT	122.7°	120.1°
CAQ	CAI	H13	119.5°	120.0°
CAQ	CAT	SAM	117.6°	126.0°
CAQ	CAT	CAS	135.2°	126.1°
SAM	CAT	CAS	107.2°	107.9°
CAT	SAM	CAR	97.1°	90.3°
CAT	CAS	CAN	131.5°	122.8°
CAT	CAS	NAK	112.6°	114.4°
CAS	CAN	OAE	120.7°	120.1°
CAN	CAS	NAK	115.9°	122.8°
SAM	CAR	NAK	107.0°	110.1°
SAM	CAR	NAL	128.5°	124.9°
CAS	NAK	CAR	116.2°	117.2°
NAK	CAR	NAL	124.5°	125.0°
CAR	NAL	C	122.5°	120.0°
CAR	NAL	H17	118.8°	120.0°
O	C	NAL	126.0°	120.0°
O	C	CA	118.1°	120.0°
NAL	C	CA	115.9°	120.0°
C	NAL	H17	118.8°	120.0°
C	CA	CB	108.8°	109.5°
C	CA	N	111.2°	109.5°
C	CA	H4	108.3°	109.4°
CB	CA	N	110.7°	109.5°
CB	CA	H4	108.4°	109.5°
CA	CB	H5	109.5°	109.5°
CA	CB	H6	109.4°	109.5°
CA	CB	H7	109.4°	109.4°
CA	N	H1	109.5°	111.0°
CA	N	H2	109.5°	111.0°
N	CA	H4	109.3°	109.5°
H1	N	H2	109.5°	111.0°
H5	CB	H6	109.5°	109.5°
H5	CB	H7	109.5°	109.5°
H6	CB	H7	109.5°	109.4°
H8	CAA	H9	109.5°	109.4°
H8	CAA	H10	109.5°	109.5°
H9	CAA	H10	109.5°	109.5°
H15	NAC	H16	109.5°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NAC	CAP	CAH	CAJ	179.7°	179.9°
NAC	CAP	CAH	CAG	179.9°	179.9°
NAC	CAP	CAJ	CAQ	178.7°	179.7°
NAC	CAP	CAH	H12	0.1°	0.1°
NAC	CAP	CAJ	H14	1.3°	0.2°
CAP	NAC	H15	H16	120.0°	179.9°
CAP	CAH	CAG	H12	180.0°	180.0°
CAH	CAP	CAJ	CAQ	1.0°	0.3°
CAP	CAH	CAG	CAI	0.2°	0.0°
CAP	CAH	CAG	H11	179.8°	179.7°
CAH	CAP	CAJ	H14	178.9°	179.8°
CAH	CAP	NAC	H15	180.0°	0.0°
CAH	CAP	NAC	H16	60.0°	180.0°
CAJ	CAP	CAH	CAG	0.3°	0.0°
CAP	CAJ	CAQ	H14	180.0°	179.5°
CAP	CAJ	CAQ	CAI	2.8°	0.5°
CAP	CAJ	CAQ	CAT	178.1°	180.0°
CAJ	CAP	CAH	H12	179.7°	180.0°
CAJ	CAP	NAC	H15	0.3°	180.0°
CAJ	CAP	NAC	H16	120.3°	0.1°
CAH	CAG	CAI	H11	180.0°	179.7°
CAH	CAG	CAI	CAQ	2.1°	0.3°
CAH	CAG	CAI	H13	178.0°	179.7°
CAJ	CAQ	CAI	CAG	3.3°	0.6°
CAJ	CAQ	CAI	CAT	175.1°	179.5°
CAJ	CAQ	CAT	SAM	39.5°	56.4°
CAJ	CAQ	CAT	CAS	142.8°	123.3°
CAJ	CAQ	CAI	H13	176.7°	179.5°
CAG	CAI	CAQ	H13	180.0°	180.0°
CAG	CAI	CAQ	CAT	178.4°	180.0°
CAI	CAG	CAH	H12	179.8°	180.0°
CAA	CAN	CAS	CAT	29.6°	174.2°
CAA	CAN	CAS	OAE	171.4°	179.9°
CAA	CAN	CAS	NAK	149.2°	6.0°
CAN	CAA	H8	H9	120.0°	119.9°
CAN	CAA	H8	H10	120.0°	120.1°
CAN	CAA	H9	H10	119.9°	120.1°
CAI	CAQ	CAT	SAM	135.5°	123.1°
CAI	CAQ	CAT	CAS	42.2°	57.2°
CAQ	CAI	CAG	H11	177.9°	180.0°
CAI	CAQ	CAJ	H14	177.2°	180.0°
CAQ	CAT	SAM	CAS	178.3°	179.8°
CAQ	CAT	CAS	CAN	2.8°	0.0°
CAQ	CAT	SAM	CAR	178.7°	179.9°
CAQ	CAT	CAS	NAK	178.3°	179.8°
CAT	CAQ	CAI	H13	1.6°	0.0°
CAT	CAQ	CAJ	H14	1.9°	0.5°
SAM	CAT	CAS	CAN	179.3°	179.8°
SAM	CAT	CAS	NAK	0.4°	0.1°
CAT	SAM	CAR	NAK	0.2°	0.2°
CAT	SAM	CAR	NAL	179.6°	180.0°
CAT	CAS	CAN	NAK	178.8°	179.9°
CAT	CAS	CAN	OAE	159.0°	5.8°
CAS	CAT	SAM	CAR	0.4°	0.2°
CAT	CAS	NAK	CAR	0.3°	0.1°
CAN	CAS	NAK	CAR	179.3°	180.0°
CAS	CAN	CAA	H8	171.6°	90.0°
CAS	CAN	CAA	H9	51.6°	150.1°
CAS	CAN	CAA	H10	68.4°	30.0°
OAE	CAN	CAS	NAK	22.2°	174.1°
OAE	CAN	CAA	H8	0.0°	89.9°
OAE	CAN	CAA	H9	120.0°	30.0°
OAE	CAN	CAA	H10	120.0°	150.1°
SAM	CAR	NAK	CAS	0.0°	0.2°
SAM	CAR	NAK	NAL	179.5°	179.8°
SAM	CAR	NAL	C	4.5°	179.7°
SAM	CAR	NAL	H17	175.5°	0.3°
CAS	NAK	CAR	NAL	179.4°	180.0°
NAK	CAR	NAL	C	176.2°	0.0°
NAK	CAR	NAL	H17	3.9°	180.0°
CAR	NAL	C	O	1.3°	0.0°
CAR	NAL	C	H17	180.0°	180.0°
CAR	NAL	C	CA	179.3°	180.0°
O	C	NAL	CA	179.4°	180.0°
O	C	CA	CB	35.9°	100.0°
O	C	CA	N	158.1°	20.0°
O	C	CA	H4	81.8°	140.0°
O	C	NAL	H17	178.7°	180.0°
NAL	C	CA	CB	143.6°	80.0°
NAL	C	CA	N	21.3°	160.0°
NAL	C	CA	H4	98.8°	40.0°
C	CA	CB	N	122.5°	120.0°
C	CA	CB	H4	117.6°	120.0°
C	CA	N	H4	119.5°	120.0°
C	CA	N	H1	180.0°	176.0°
C	CA	N	H2	60.0°	60.0°
C	CA	CB	H5	180.0°	180.0°
C	CA	CB	H6	60.0°	60.0°
C	CA	CB	H7	60.0°	60.0°
CA	C	NAL	H17	0.7°	0.0°
CB	CA	N	H4	119.3°	120.0°
CB	CA	N	H1	58.9°	63.9°
CB	CA	N	H2	61.2°	60.0°
CA	CB	H5	H6	120.0°	120.0°
CA	CB	H5	H7	120.0°	120.0°
CA	CB	H6	H7	120.0°	120.0°
CA	N	H1	H2	120.0°	123.9°
N	CA	CB	H5	57.5°	60.0°
N	CA	CB	H6	177.5°	180.0°
N	CA	CB	H7	62.5°	60.0°
H1	N	CA	H4	60.5°	56.1°
H2	N	CA	H4	179.5°	180.0°
H4	CA	CB	H5	62.4°	60.0°
H4	CA	CB	H6	57.6°	60.0°
H4	CA	CB	H7	177.6°	179.9°
H5	CB	H6	H7	120.0°	120.0°
H8	CAA	H9	H10	120.0°	120.0°
H11	CAG	CAH	H12	0.2°	0.3°
H11	CAG	CAI	H13	2.0°	0.1°

Release date:	2019-02-20
Definition date:	2018-08-29
Last modified:	2019-02-15
Release status:	REL
Processing site:	EBI
Derived from:	6HI7