SM2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAF	CAC	sing	1.38Å	1.43Å	Aromatic
CAF	CAE	doub	1.35Å	1.40Å	Aromatic
CAF	HAF	sing	1.08Å	1.10Å
CAC	CAB	doub	1.35Å	1.36Å	Aromatic
CAC	HAC	sing	1.08Å	1.10Å
CAB	SAD	sing	1.79Å	1.70Å	Aromatic
CAB	HAB	sing	1.08Å	1.10Å
SAD	CAE	sing	1.79Å	1.73Å	Aromatic
CAE	CAG	sing	1.51Å	1.53Å
CAG	CAH	sing	1.51Å	1.53Å
CAG	HAG1	sing	1.09Å	1.11Å
CAG	HAG2	sing	1.09Å	1.12Å
CAH	OAI	doub	1.21Å	1.24Å
CAH	NAJ	sing	1.35Å	1.36Å
NAJ	CAK	sing	1.46Å	1.46Å
NAJ	HAJ	sing	0.97Å	1.02Å
CAK	B	sing	1.57Å	1.63Å
CAK	CAL	sing	1.51Å	1.55Å
CAK	HAK	sing	1.09Å	1.12Å
B	OAT	sing	1.42Å	1.50Å
B	OAO	sing	1.42Å	1.49Å
OAT	HAT	sing	0.97Å	0.95Å
OAO	HAO	sing	0.97Å	0.95Å
CAL	CAQ	doub	1.38Å	1.41Å	Aromatic
CAL	CAM	sing	1.38Å	1.43Å	Aromatic
CAQ	CAR	sing	1.40Å	1.41Å	Aromatic
CAQ	HAQ	sing	1.08Å	1.10Å
CAM	CAN	doub	1.38Å	1.42Å	Aromatic
CAM	HAM	sing	1.08Å	1.10Å
CAN	CAS	sing	1.38Å	1.42Å	Aromatic
CAN	HAN	sing	1.08Å	1.10Å
CAS	CAR	doub	1.40Å	1.42Å	Aromatic
CAS	HAS	sing	1.08Å	1.10Å
CAR	CAU	sing	1.48Å	1.51Å
CAU	OAW	doub	1.21Å	1.27Å
CAU	OAV	sing	1.35Å	1.25Å
OAV	HAV	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAC	CAF	CAE	110.8°	119.0°
CAC	CAF	HAF	125.6°	120.5°
CAF	CAC	CAB	113.8°	119.0°
CAF	CAC	HAC	125.5°	120.5°
CAE	CAF	HAF	123.6°	120.5°
CAF	CAE	SAD	111.3°	101.9°
CAF	CAE	CAG	128.8°	129.0°
CAB	CAC	HAC	120.8°	120.5°
CAC	CAB	SAD	112.1°	101.9°
CAC	CAB	HAB	114.3°	129.1°
SAD	CAB	HAB	133.6°	129.0°
CAB	SAD	CAE	92.1°	98.1°
SAD	CAE	CAG	119.9°	129.0°
CAE	CAG	CAH	109.2°	109.4°
CAE	CAG	HAG1	112.3°	109.5°
CAE	CAG	HAG2	112.3°	109.4°
CAH	CAG	HAG1	112.3°	109.6°
CAH	CAG	HAG2	112.3°	109.4°
CAG	CAH	OAI	120.0°	120.1°
CAG	CAH	NAJ	117.2°	120.0°
HAG1	CAG	HAG2	98.1°	109.5°
OAI	CAH	NAJ	122.8°	120.0°
CAH	NAJ	CAK	125.2°	120.0°
CAH	NAJ	HAJ	113.5°	120.0°
CAK	NAJ	HAJ	121.2°	120.0°
NAJ	CAK	B	111.1°	109.4°
NAJ	CAK	CAL	107.5°	109.5°
NAJ	CAK	HAK	111.4°	109.5°
B	CAK	CAL	113.8°	109.4°
B	CAK	HAK	104.7°	109.5°
CAK	B	OAT	110.0°	120.1°
CAK	B	OAO	110.1°	120.0°
CAL	CAK	HAK	108.5°	109.5°
CAK	CAL	CAQ	120.8°	120.0°
CAK	CAL	CAM	119.6°	119.9°
OAT	B	OAO	109.3°	120.0°
B	OAT	HAT	110.0°	106.8°
B	OAO	HAO	110.1°	106.8°
CAQ	CAL	CAM	119.5°	120.1°
CAL	CAQ	CAR	121.6°	119.9°
CAL	CAQ	HAQ	119.2°	120.0°
CAL	CAM	CAN	119.0°	120.3°
CAL	CAM	HAM	120.8°	119.8°
CAR	CAQ	HAQ	119.1°	120.1°
CAQ	CAR	CAS	119.3°	119.7°
CAQ	CAR	CAU	118.6°	120.2°
CAN	CAM	HAM	120.2°	119.9°
CAM	CAN	CAS	120.7°	120.2°
CAM	CAN	HAN	119.7°	119.9°
CAS	CAN	HAN	119.6°	119.9°
CAN	CAS	CAR	119.8°	119.8°
CAN	CAS	HAS	120.1°	120.0°
CAR	CAS	HAS	120.1°	120.1°
CAS	CAR	CAU	122.1°	120.1°
CAR	CAU	OAW	117.4°	120.0°
CAR	CAU	OAV	116.6°	120.0°
OAW	CAU	OAV	126.0°	120.0°
CAU	OAV	HAV	116.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAC	CAF	CAE	HAF	180.0°	179.5°
CAF	CAC	CAB	HAC	180.0°	179.8°
CAF	CAC	CAB	SAD	0.0°	0.3°
CAF	CAC	CAB	HAB	180.0°	179.7°
CAC	CAF	CAE	SAD	0.2°	0.4°
CAC	CAF	CAE	CAG	179.7°	179.8°
CAE	CAF	CAC	CAB	0.1°	0.5°
CAE	CAF	CAC	HAC	179.9°	179.7°
CAF	CAE	SAD	CAB	0.2°	0.2°
CAF	CAE	SAD	CAG	179.5°	179.8°
CAF	CAE	CAG	CAH	131.1°	89.8°
CAF	CAE	CAG	HAG1	5.9°	30.3°
CAF	CAE	CAG	HAG2	103.6°	150.3°
HAF	CAF	CAC	CAB	179.9°	180.0°
HAF	CAF	CAC	HAC	0.1°	0.2°
HAF	CAF	CAE	SAD	179.8°	179.9°
HAF	CAF	CAE	CAG	0.3°	0.3°
CAC	CAB	SAD	HAB	180.0°	180.0°
CAC	CAB	SAD	CAE	0.1°	0.0°
HAC	CAC	CAB	SAD	180.0°	179.9°
HAC	CAC	CAB	HAB	0.0°	0.1°
CAB	SAD	CAE	CAG	179.7°	180.0°
HAB	CAB	SAD	CAE	179.9°	180.0°
SAD	CAE	CAG	CAH	49.5°	90.0°
SAD	CAE	CAG	HAG1	174.7°	150.0°
SAD	CAE	CAG	HAG2	75.8°	29.9°
CAE	CAG	CAH	HAG1	125.2°	120.0°
CAE	CAG	CAH	HAG2	125.3°	119.9°
CAE	CAG	HAG1	HAG2	118.2°	120.0°
CAE	CAG	CAH	OAI	65.3°	0.0°
CAE	CAG	CAH	NAJ	113.9°	180.0°
CAH	CAG	HAG1	HAG2	118.2°	120.0°
CAG	CAH	OAI	NAJ	179.2°	179.9°
CAG	CAH	NAJ	CAK	178.7°	180.0°
CAG	CAH	NAJ	HAJ	1.3°	0.1°
HAG1	CAG	CAH	OAI	59.9°	120.0°
HAG1	CAG	CAH	NAJ	120.8°	60.0°
HAG2	CAG	CAH	OAI	169.4°	119.9°
HAG2	CAG	CAH	NAJ	11.3°	60.1°
OAI	CAH	NAJ	CAK	0.5°	0.0°
OAI	CAH	NAJ	HAJ	179.5°	179.9°
CAH	NAJ	CAK	HAJ	180.0°	179.9°
CAH	NAJ	CAK	B	162.2°	90.1°
CAH	NAJ	CAK	CAL	72.7°	150.0°
CAH	NAJ	CAK	HAK	46.0°	29.9°
NAJ	CAK	B	CAL	121.4°	120.0°
NAJ	CAK	B	HAK	120.3°	120.0°
NAJ	CAK	CAL	HAK	120.5°	120.1°
NAJ	CAK	B	OAT	37.8°	60.0°
NAJ	CAK	B	OAO	158.3°	120.1°
NAJ	CAK	CAL	CAQ	71.2°	150.4°
NAJ	CAK	CAL	CAM	105.0°	30.0°
HAJ	NAJ	CAK	B	17.8°	90.0°
HAJ	NAJ	CAK	CAL	107.3°	29.9°
HAJ	NAJ	CAK	HAK	134.0°	150.0°
B	CAK	CAL	HAK	116.1°	120.0°
CAK	B	OAT	OAO	121.0°	180.0°
CAK	B	OAT	HAT	180.0°	0.0°
CAK	B	OAO	HAO	180.0°	0.0°
B	CAK	CAL	CAQ	52.1°	89.7°
B	CAK	CAL	CAM	131.6°	90.0°
CAL	CAK	B	OAT	83.6°	60.0°
CAL	CAK	B	OAO	36.9°	120.0°
CAK	CAL	CAQ	CAM	176.3°	179.7°
CAK	CAL	CAQ	CAR	175.1°	179.7°
CAK	CAL	CAQ	HAQ	4.9°	0.3°
CAK	CAL	CAM	CAN	175.0°	180.0°
CAK	CAL	CAM	HAM	5.0°	0.0°
HAK	CAK	B	OAT	158.1°	180.0°
HAK	CAK	B	OAO	81.4°	0.0°
HAK	CAK	CAL	CAQ	168.2°	30.3°
HAK	CAK	CAL	CAM	15.5°	150.0°
OAT	B	OAO	HAO	59.0°	180.0°
OAO	B	OAT	HAT	59.0°	179.9°
CAL	CAQ	CAR	HAQ	180.0°	179.5°
CAQ	CAL	CAM	CAN	1.3°	0.3°
CAQ	CAL	CAM	HAM	178.7°	179.7°
CAL	CAQ	CAR	CAS	0.5°	0.5°
CAL	CAQ	CAR	CAU	179.6°	179.7°
CAM	CAL	CAQ	CAR	1.2°	0.6°
CAM	CAL	CAQ	HAQ	178.8°	179.9°
CAL	CAM	CAN	HAM	180.0°	180.0°
CAL	CAM	CAN	CAS	0.7°	0.0°
CAL	CAM	CAN	HAN	179.3°	179.9°
CAQ	CAR	CAS	CAN	0.2°	0.2°
CAQ	CAR	CAS	CAU	179.9°	179.8°
CAQ	CAR	CAS	HAS	179.8°	179.8°
CAQ	CAR	CAU	OAW	87.9°	0.2°
CAQ	CAR	CAU	OAV	90.3°	179.7°
HAQ	CAQ	CAR	CAS	179.5°	180.0°
HAQ	CAQ	CAR	CAU	0.4°	0.2°
CAM	CAN	CAS	HAN	180.0°	179.9°
CAM	CAN	CAS	CAR	0.0°	0.1°
CAM	CAN	CAS	HAS	180.0°	179.9°
HAM	CAM	CAN	CAS	179.3°	180.0°
HAM	CAM	CAN	HAN	0.7°	0.1°
CAN	CAS	CAR	HAS	180.0°	180.0°
CAN	CAS	CAR	CAU	179.7°	180.0°
HAN	CAN	CAS	CAR	180.0°	179.9°
HAN	CAN	CAS	HAS	0.1°	0.1°
CAS	CAR	CAU	OAW	92.2°	180.0°
CAS	CAR	CAU	OAV	89.6°	0.0°
HAS	CAS	CAR	CAU	0.3°	0.0°
CAR	CAU	OAW	OAV	178.0°	179.9°
CAR	CAU	OAV	HAV	180.0°	180.0°
OAW	CAU	OAV	HAV	2.0°	0.1°

Definition date:	2002-10-23
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	1MXO