NDB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAA	NAL	sing	1.47Å	1.47Å
CAA	HAA	sing	1.09Å	1.10Å
CAA	HAAA	sing	1.09Å	1.10Å
CAA	HAAB	sing	1.09Å	1.10Å
CAB	NAL	sing	1.47Å	1.46Å
CAB	HAB	sing	1.09Å	1.10Å
CAB	HABA	sing	1.09Å	1.10Å
CAB	HABB	sing	1.09Å	1.10Å
OAC	SAM	doub	1.42Å	1.49Å
OAD	SAM	sing	1.52Å	1.50Å
OAE	CAG	sing	1.43Å	1.43Å
OAE	HOAE	sing	0.97Å	0.95Å
OAF	SAM	doub	1.42Å	1.44Å
CAG	CAI	sing	1.53Å	1.53Å
CAG	HAG	sing	1.09Å	1.10Å
CAG	HAGA	sing	1.09Å	1.10Å
CAH	CAJ	sing	1.53Å	1.55Å
CAH	CAK	sing	1.53Å	1.55Å
CAH	HAH	sing	1.09Å	1.10Å
CAH	HAHA	sing	1.09Å	1.10Å
CAI	NAL	sing	1.47Å	1.46Å
CAI	HAI	sing	1.09Å	1.10Å
CAI	HAIA	sing	1.09Å	1.10Å
CAJ	NAL	sing	1.47Å	1.48Å
CAJ	HAJ	sing	1.09Å	1.10Å
CAJ	HAJA	sing	1.09Å	1.10Å
CAK	SAM	sing	1.81Å	1.83Å
CAK	HAK	sing	1.09Å	1.10Å
CAK	HAKA	sing	1.09Å	1.10Å
OAD	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
NAL	CAA	HAA	109.5°	109.6°
NAL	CAA	HAAA	109.5°	109.5°
NAL	CAA	HAAB	109.5°	109.5°
CAA	NAL	CAB	108.5°	109.5°
CAA	NAL	CAI	111.3°	109.5°
CAA	NAL	CAJ	109.4°	109.4°
HAA	CAA	HAAA	109.5°	109.4°
HAA	CAA	HAAB	109.4°	109.5°
HAAA	CAA	HAAB	109.5°	109.4°
NAL	CAB	HAB	109.5°	109.4°
NAL	CAB	HABA	109.5°	109.4°
NAL	CAB	HABB	109.5°	109.5°
CAB	NAL	CAI	104.8°	109.5°
CAB	NAL	CAJ	112.2°	109.5°
HAB	CAB	HABA	109.5°	109.6°
HAB	CAB	HABB	109.5°	109.5°
HABA	CAB	HABB	109.4°	109.5°
OAC	SAM	OAD	107.5°	104.3°
OAC	SAM	OAF	109.0°	121.0°
OAC	SAM	CAK	109.9°	110.5°
OAD	SAM	OAF	109.6°	104.3°
OAD	SAM	CAK	111.8°	104.5°
SAM	OAD	H18	109.5°	114.0°
CAG	OAE	HOAE	109.5°	114.0°
OAE	CAG	CAI	108.4°	109.5°
OAE	CAG	HAG	109.9°	109.5°
OAE	CAG	HAGA	109.8°	109.5°
OAF	SAM	CAK	108.9°	110.5°
CAI	CAG	HAG	109.8°	109.4°
CAI	CAG	HAGA	109.9°	109.5°
CAG	CAI	NAL	112.2°	109.4°
CAG	CAI	HAI	108.6°	109.4°
CAG	CAI	HAIA	108.6°	109.5°
HAG	CAG	HAGA	109.1°	109.5°
CAJ	CAH	CAK	111.7°	109.5°
CAJ	CAH	HAH	108.7°	109.5°
CAJ	CAH	HAHA	108.8°	109.5°
CAH	CAJ	NAL	110.4°	109.5°
CAH	CAJ	HAJ	109.2°	109.5°
CAH	CAJ	HAJA	109.2°	109.5°
CAK	CAH	HAH	108.7°	109.5°
CAK	CAH	HAHA	108.7°	109.5°
CAH	CAK	SAM	113.7°	109.5°
CAH	CAK	HAK	108.1°	109.5°
CAH	CAK	HAKA	108.1°	109.5°
HAH	CAH	HAHA	110.2°	109.5°
NAL	CAI	HAI	108.6°	109.5°
NAL	CAI	HAIA	108.6°	109.5°
CAI	NAL	CAJ	110.6°	109.4°
HAI	CAI	HAIA	110.4°	109.5°
NAL	CAJ	HAJ	109.2°	109.5°
NAL	CAJ	HAJA	109.2°	109.5°
HAJ	CAJ	HAJA	109.7°	109.5°
SAM	CAK	HAK	108.1°	109.5°
SAM	CAK	HAKA	108.1°	109.5°
HAK	CAK	HAKA	110.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
NAL	CAA	HAA	HAAA	120.0°	120.0°
NAL	CAA	HAA	HAAB	120.0°	120.0°
NAL	CAA	HAAA	HAAB	120.0°	120.0°
CAA	NAL	CAB	CAI	119.0°	120.1°
CAA	NAL	CAB	CAJ	121.0°	120.0°
CAA	NAL	CAB	HAB	180.0°	60.0°
CAA	NAL	CAB	HABA	60.0°	179.9°
CAA	NAL	CAB	HABB	60.0°	60.0°
CAA	NAL	CAI	CAG	69.1°	65.0°
CAA	NAL	CAJ	CAH	21.2°	60.0°
CAA	NAL	CAI	CAJ	121.9°	120.0°
CAA	NAL	CAI	HAI	170.9°	175.0°
CAA	NAL	CAI	HAIA	50.9°	54.9°
CAA	NAL	CAJ	HAJ	98.8°	60.0°
CAA	NAL	CAJ	HAJA	141.2°	180.0°
HAA	CAA	HAAA	HAAB	119.9°	119.9°
HAA	CAA	NAL	CAB	180.0°	68.6°
HAA	CAA	NAL	CAI	65.2°	171.4°
HAA	CAA	NAL	CAJ	57.4°	51.4°
HAAA	CAA	NAL	CAB	60.0°	171.4°
HAAA	CAA	NAL	CAI	174.8°	51.4°
HAAA	CAA	NAL	CAJ	62.7°	68.6°
HAAB	CAA	NAL	CAB	60.0°	51.5°
HAAB	CAA	NAL	CAI	54.8°	68.6°
HAAB	CAA	NAL	CAJ	177.3°	171.5°
NAL	CAB	HAB	HABA	120.0°	120.0°
NAL	CAB	HAB	HABB	120.0°	119.9°
NAL	CAB	HABA	HABB	120.0°	120.0°
CAB	NAL	CAI	CAG	173.9°	55.0°
CAB	NAL	CAJ	CAH	141.6°	60.0°
CAB	NAL	CAI	CAJ	121.1°	120.0°
CAB	NAL	CAI	HAI	53.9°	64.9°
CAB	NAL	CAI	HAIA	66.1°	175.0°
CAB	NAL	CAJ	HAJ	21.6°	180.0°
CAB	NAL	CAJ	HAJA	98.4°	60.0°
HAB	CAB	HABA	HABB	120.0°	120.1°
HAB	CAB	NAL	CAI	61.0°	60.1°
HAB	CAB	NAL	CAJ	59.0°	180.0°
HABA	CAB	NAL	CAI	59.0°	60.0°
HABA	CAB	NAL	CAJ	179.0°	60.0°
HABB	CAB	NAL	CAI	179.0°	180.0°
HABB	CAB	NAL	CAJ	61.0°	60.0°
OAC	SAM	OAD	OAF	118.4°	127.9°
OAC	SAM	OAD	CAK	120.7°	116.1°
OAC	SAM	OAF	CAK	119.9°	131.5°
OAC	SAM	CAK	CAH	63.9°	68.4°
OAC	SAM	CAK	HAK	56.1°	171.6°
OAC	SAM	CAK	HAKA	176.1°	51.6°
OAC	SAM	OAD	H18	118.4°	63.9°
OAD	SAM	OAF	CAK	122.6°	111.7°
OAD	SAM	CAK	CAH	176.8°	180.0°
OAD	SAM	CAK	HAK	63.2°	60.0°
OAD	SAM	CAK	HAKA	56.8°	60.0°
OAE	CAG	CAI	HAG	120.0°	120.0°
OAE	CAG	CAI	HAGA	120.0°	120.0°
OAE	CAG	HAG	HAGA	120.4°	120.0°
OAE	CAG	CAI	NAL	168.3°	67.4°
OAE	CAG	CAI	HAI	48.3°	172.6°
OAE	CAG	CAI	HAIA	71.7°	52.6°
HOAE	OAE	CAG	CAI	180.0°	180.0°
HOAE	OAE	CAG	HAG	60.0°	60.1°
HOAE	OAE	CAG	HAGA	60.0°	60.0°
OAF	SAM	CAK	CAH	55.5°	68.4°
OAF	SAM	CAK	HAK	175.5°	51.7°
OAF	SAM	CAK	HAKA	64.5°	171.6°
OAF	SAM	OAD	H18	0.0°	64.0°
CAI	CAG	HAG	HAGA	120.5°	120.0°
CAG	CAI	NAL	HAI	120.0°	120.0°
CAG	CAI	NAL	HAIA	120.0°	120.0°
CAG	CAI	HAI	HAIA	118.9°	120.0°
CAG	CAI	NAL	CAJ	52.8°	175.0°
HAG	CAG	CAI	NAL	71.7°	52.6°
HAG	CAG	CAI	HAI	168.3°	67.4°
HAG	CAG	CAI	HAIA	48.3°	172.6°
HAGA	CAG	CAI	NAL	48.3°	172.6°
HAGA	CAG	CAI	HAI	71.7°	52.6°
HAGA	CAG	CAI	HAIA	168.3°	67.4°
CAJ	CAH	CAK	HAH	120.0°	120.0°
CAJ	CAH	CAK	HAHA	120.0°	120.0°
CAJ	CAH	HAH	HAHA	119.1°	120.0°
CAH	CAJ	NAL	CAI	101.8°	180.0°
CAH	CAJ	NAL	HAJ	120.0°	120.0°
CAH	CAJ	NAL	HAJA	120.0°	120.0°
CAH	CAJ	HAJ	HAJA	119.6°	120.0°
CAJ	CAH	CAK	SAM	147.7°	180.0°
CAJ	CAH	CAK	HAK	27.7°	60.0°
CAJ	CAH	CAK	HAKA	92.3°	60.0°
CAK	CAH	HAH	HAHA	119.1°	120.0°
CAK	CAH	CAJ	NAL	160.3°	180.0°
CAK	CAH	CAJ	HAJ	40.3°	60.0°
CAK	CAH	CAJ	HAJA	79.7°	60.0°
CAH	CAK	SAM	HAK	120.0°	120.0°
CAH	CAK	SAM	HAKA	120.0°	120.0°
CAH	CAK	HAK	HAKA	118.3°	120.0°
HAH	CAH	CAJ	NAL	40.3°	60.0°
HAH	CAH	CAJ	HAJ	79.7°	60.0°
HAH	CAH	CAJ	HAJA	160.3°	180.0°
HAH	CAH	CAK	SAM	92.3°	60.0°
HAH	CAH	CAK	HAK	147.7°	180.0°
HAH	CAH	CAK	HAKA	27.7°	60.0°
HAHA	CAH	CAJ	NAL	79.7°	60.0°
HAHA	CAH	CAJ	HAJ	160.3°	NaN°
HAHA	CAH	CAJ	HAJA	40.3°	60.0°
HAHA	CAH	CAK	SAM	27.7°	60.0°
HAHA	CAH	CAK	HAK	92.3°	60.0°
HAHA	CAH	CAK	HAKA	147.7°	NaN°
NAL	CAI	HAI	HAIA	118.9°	120.1°
CAI	NAL	CAJ	HAJ	138.1°	60.0°
CAI	NAL	CAJ	HAJA	18.2°	60.0°
HAI	CAI	NAL	CAJ	67.2°	55.1°
HAIA	CAI	NAL	CAJ	172.8°	65.0°
NAL	CAJ	HAJ	HAJA	119.6°	120.0°
SAM	CAK	HAK	HAKA	118.3°	120.0°
CAK	SAM	OAD	H18	120.9°	180.0°

Definition date:	2009-10-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3KBO