G5W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAR	CAU	sing	1.48Å	1.33Å
CAB	CAO	sing	1.51Å	1.53Å
CAU	SAN	sing	1.76Å	1.61Å	Aromatic
CAU	CAT	doub	1.38Å	1.35Å	Aromatic
CAO	CAT	sing	1.42Å	1.36Å
CAO	OAE	doub	1.21Å	1.23Å
SAN	CAS	sing	1.76Å	1.61Å	Aromatic
CAT	NAK	sing	1.33Å	1.36Å	Aromatic
O	C	doub	1.21Å	1.23Å
NAK	CAS	doub	1.29Å	1.35Å	Aromatic
CAS	NAL	sing	1.39Å	1.35Å
CB	CA	sing	1.53Å	1.54Å
C	NAL	sing	1.35Å	1.38Å
C	CA	sing	1.51Å	1.53Å
CA	N	sing	1.47Å	1.46Å
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
CAB	H8	sing	1.09Å	1.10Å
CAB	H9	sing	1.09Å	1.10Å
CAB	H10	sing	1.09Å	1.10Å
NAL	H14	sing	0.97Å	1.00Å
CAR	C1	sing	1.40Å	53.70Å	Aromatic
C1	C2	doub	1.38Å	0.00Å	Aromatic
C2	C3	sing	1.39Å	0.00Å	Aromatic
C3	C4	doub	1.38Å	0.00Å	Aromatic
C4	C5	sing	1.38Å	0.00Å	Aromatic
C5	CAR	doub	1.40Å	53.70Å	Aromatic
C2	O1	sing	1.36Å	0.00Å
O1	C7	sing	1.43Å	0.00Å
C1	H3	sing	1.08Å	0.00Å
C3	H11	sing	1.08Å	0.00Å
C4	H12	sing	1.08Å	0.00Å
C5	H13	sing	1.08Å	0.00Å
C7	H15	sing	1.09Å	0.00Å
C7	H16	sing	1.09Å	0.00Å
C7	H17	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAR	CAU	SAN	120.1°	126.0°
CAR	CAU	CAT	131.4°	126.0°
CAU	CAR	C1	67.1°	120.1°
CAU	CAR	C5	67.1°	120.2°
CAB	CAO	CAT	121.2°	120.0°
CAB	CAO	OAE	118.3°	120.0°
CAO	CAB	H8	109.5°	109.5°
CAO	CAB	H9	109.5°	109.5°
CAO	CAB	H10	109.5°	109.5°
SAN	CAU	CAT	108.5°	108.0°
CAU	SAN	CAS	98.1°	90.3°
CAU	CAT	CAO	129.7°	122.8°
CAU	CAT	NAK	111.8°	114.3°
CAT	CAO	OAE	120.5°	120.0°
CAO	CAT	NAK	118.5°	122.8°
SAN	CAS	NAK	107.0°	110.2°
SAN	CAS	NAL	127.2°	124.9°
CAT	NAK	CAS	114.7°	117.2°
O	C	NAL	126.1°	120.0°
O	C	CA	115.9°	120.0°
NAK	CAS	NAL	125.8°	124.9°
CAS	NAL	C	121.3°	120.0°
CAS	NAL	H14	119.3°	120.0°
CB	CA	C	107.6°	109.5°
CB	CA	N	111.5°	109.5°
CB	CA	H4	109.0°	109.5°
CA	CB	H5	109.5°	109.5°
CA	CB	H6	109.4°	109.5°
CA	CB	H7	109.5°	109.5°
NAL	C	CA	117.9°	120.0°
C	NAL	H14	119.4°	120.0°
C	CA	N	109.6°	109.5°
C	CA	H4	109.1°	109.4°
CA	N	H1	109.5°	111.0°
CA	N	H2	109.5°	111.0°
N	CA	H4	110.1°	109.5°
H1	N	H2	109.5°	111.0°
H5	CB	H6	109.5°	109.4°
H5	CB	H7	109.4°	109.5°
H6	CB	H7	109.5°	109.5°
H8	CAB	H9	109.4°	109.5°
H8	CAB	H10	109.5°	109.5°
H9	CAB	H10	109.5°	109.4°
CAR	C1	C2	90.0°	119.8°
C1	CAR	C5	0.0°	119.7°
CAR	C1	H3	90.0°	120.1°
C1	C2	C3	90.0°	120.0°
C1	C2	O1	90.0°	120.0°
C2	C1	H3	90.0°	120.1°
C2	C3	C4	90.0°	120.3°
C3	C2	O1	90.0°	120.0°
C2	C3	H11	90.0°	119.8°
C3	C4	C5	90.0°	120.2°
C4	C3	H11	90.0°	119.9°
C3	C4	H12	90.0°	119.9°
C4	C5	CAR	90.0°	119.9°
C5	C4	H12	90.0°	119.8°
C4	C5	H13	90.0°	120.0°
CAR	C5	H13	90.0°	120.0°
C2	O1	C7	90.0°	117.0°
O1	C7	H15	90.0°	109.5°
O1	C7	H16	90.0°	109.5°
O1	C7	H17	90.0°	109.5°
H15	C7	H16	90.0°	109.5°
H15	C7	H17	90.0°	109.4°
H16	C7	H17	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAR	CAU	SAN	CAT	179.8°	179.7°
CAR	CAU	CAT	CAO	0.1°	0.1°
CAR	CAU	SAN	CAS	179.6°	180.0°
CAR	CAU	CAT	NAK	179.8°	179.9°
CAU	CAR	C1	C5	90.0°	179.7°
CAU	CAR	C1	C2	90.0°	179.9°
CAU	CAR	C5	C4	90.0°	179.7°
CAU	CAR	C1	H3	90.0°	0.1°
CAU	CAR	C5	H13	90.0°	0.3°
CAB	CAO	CAT	CAU	1.1°	174.0°
CAB	CAO	CAT	OAE	179.9°	179.9°
CAB	CAO	CAT	NAK	179.0°	6.0°
CAO	CAB	H8	H9	120.0°	120.0°
CAO	CAB	H8	H10	120.0°	120.0°
CAO	CAB	H9	H10	120.0°	120.0°
SAN	CAU	CAT	CAO	179.7°	179.8°
SAN	CAU	CAT	NAK	0.4°	0.2°
CAU	SAN	CAS	NAK	0.6°	0.3°
CAU	SAN	CAS	NAL	179.3°	180.0°
SAN	CAU	CAR	C1	148.1°	57.0°
SAN	CAU	CAR	C5	148.1°	122.7°
CAU	CAT	CAO	NAK	179.9°	179.9°
CAU	CAT	CAO	OAE	179.0°	6.1°
CAT	CAU	SAN	CAS	0.5°	0.2°
CAU	CAT	NAK	CAS	0.0°	0.0°
CAT	CAU	CAR	C1	32.1°	123.4°
CAT	CAU	CAR	C5	32.1°	56.9°
CAO	CAT	NAK	CAS	179.9°	180.0°
CAT	CAO	CAB	H8	179.9°	89.9°
CAT	CAO	CAB	H9	60.2°	150.0°
CAT	CAO	CAB	H10	59.9°	30.1°
OAE	CAO	CAT	NAK	0.9°	173.9°
OAE	CAO	CAB	H8	0.0°	90.0°
OAE	CAO	CAB	H9	120.0°	30.1°
OAE	CAO	CAB	H10	120.0°	150.0°
SAN	CAS	NAK	CAT	0.4°	0.2°
SAN	CAS	NAK	NAL	178.8°	179.7°
SAN	CAS	NAL	C	14.1°	179.7°
SAN	CAS	NAL	H14	165.9°	0.3°
CAT	NAK	CAS	NAL	179.2°	180.0°
O	C	NAL	CAS	3.4°	0.0°
O	C	CA	CB	35.0°	120.0°
O	C	NAL	CA	177.5°	180.0°
O	C	CA	N	156.4°	0.0°
O	C	CA	H4	83.1°	120.1°
O	C	NAL	H14	176.6°	180.0°
NAK	CAS	NAL	C	167.4°	0.0°
NAK	CAS	NAL	H14	12.6°	180.0°
CAS	NAL	C	H14	180.0°	180.0°
CAS	NAL	C	CA	179.1°	180.0°
CB	CA	C	NAL	142.8°	60.0°
CB	CA	C	N	121.4°	120.0°
CB	CA	C	H4	118.1°	119.9°
CB	CA	N	H4	121.0°	120.0°
CB	CA	N	H1	180.0°	60.1°
CB	CA	N	H2	60.0°	64.0°
CA	CB	H5	H6	120.0°	120.0°
CA	CB	H5	H7	120.0°	120.0°
CA	CB	H6	H7	120.0°	120.0°
NAL	C	CA	N	21.4°	180.0°
NAL	C	CA	H4	99.2°	60.0°
C	CA	N	H4	120.0°	120.0°
C	CA	N	H1	61.0°	179.9°
C	CA	N	H2	178.9°	56.0°
C	CA	CB	H5	180.0°	179.9°
C	CA	CB	H6	60.0°	60.0°
C	CA	CB	H7	60.0°	60.0°
CA	C	NAL	H14	0.9°	0.0°
CA	N	H1	H2	120.0°	124.0°
N	CA	CB	H5	59.8°	60.0°
N	CA	CB	H6	179.8°	180.0°
N	CA	CB	H7	60.2°	60.1°
H1	N	CA	H4	59.0°	59.9°
H2	N	CA	H4	61.1°	176.0°
H4	CA	CB	H5	61.9°	60.0°
H4	CA	CB	H6	58.1°	59.9°
H4	CA	CB	H7	178.1°	179.9°
H5	CB	H6	H7	120.0°	120.0°
H8	CAB	H9	H10	120.0°	120.0°
CAR	C1	C2	H3	90.0°	180.0°
CAR	C1	C2	C3	90.0°	0.1°
C1	CAR	C5	C4	90.0°	0.6°
CAR	C1	C2	O1	90.0°	180.0°
C1	CAR	C5	H13	90.0°	180.0°
C1	C2	C3	O1	90.0°	179.9°
C1	C2	C3	C4	90.0°	0.1°
C2	C1	CAR	C5	90.0°	0.2°
C1	C2	O1	C7	90.0°	180.0°
C1	C2	C3	H11	90.0°	180.0°
C2	C3	C4	H11	90.0°	180.0°
C2	C3	C4	C5	90.0°	0.3°
C3	C2	O1	C7	90.0°	0.1°
C3	C2	C1	H3	90.0°	179.9°
C2	C3	C4	H12	90.0°	180.0°
C3	C4	C5	H12	90.0°	179.8°
C3	C4	C5	CAR	90.0°	0.6°
C4	C3	C2	O1	90.0°	180.0°
C3	C4	C5	H13	90.0°	180.0°
C4	C5	CAR	H13	90.0°	179.4°
C5	C4	C3	H11	90.0°	179.7°
C5	CAR	C1	H3	90.0°	179.8°
CAR	C5	C4	H12	90.0°	179.7°
O1	C2	C1	H3	90.0°	0.0°
O1	C2	C3	H11	90.0°	0.1°
C2	O1	C7	H15	90.0°	60.0°
C2	O1	C7	H16	90.0°	60.0°
C2	O1	C7	H17	90.0°	179.9°
O1	C7	H15	H16	90.0°	120.0°
O1	C7	H15	H17	90.0°	120.0°
O1	C7	H16	H17	90.0°	120.0°
H11	C3	C4	H12	90.0°	0.1°
H12	C4	C5	H13	90.0°	0.2°
H15	C7	H16	H17	90.0°	120.0°

Release date:	2019-02-20
Definition date:	2018-08-29
Last modified:	2019-02-15
Release status:	REL
Processing site:	EBI
Derived from:	6HI4