2DDA

crystal structure of pseudechetoxin from pseudechis australis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 154
  • Norm. En. per Res.: -2.4169
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-29.3315	0.0	-145.391	-174.7225	77	8	0	5919	0	6	7
A-C	0.0	0.0	-6.4202	-6.4202	11	0	0	518	0	0	5
B-C	-70.6272	37.1793	-338.75	-372.1979	154	17	0	15066	0	28	49
B-D	0.0	0.0	-2.4047	-2.4047	10	0	0	285	0	0	5
C-D	-29.1892	0.0	-149.052	-178.2412	76	8	0	5974	0	6	6

Interface residues

• A-B: ALA51A, ALA51B, ALA84A, ALA84B, ASN68A, ASN68B, ASN91A, ASN91B, ASP87A, ASP87B, GLN74A, GLN74B, GLN83A, GLN83B, GLU88A, GLU88B, GLY102A, GLY102B, GLY80A, GLY80B, HIS107A, HIS107B, ILE105A, ILE105B, ILE69A, ILE69B, ILE89A, ILE89B, LEU132A, LEU132B, LYS125A, LYS125B, LYS130A, LYS130B, LYS90A, LYS90B, MET71A, MET71B, PHE50A, PHE50B, PHE70A, PHE70B, PHE76A, PHE76B, PRO100B, PRO75A, PRO75B, PRO77A, PRO77B, SER103A, SER103B, SER127A, SER127B, SER128A, SER128B, SER129A, SER129B, SER72A, SER72B, SER73A, SER73B, TRP85A, TRP85B, TYR108A, TYR108B, TYR131A, TYR131B, TYR133A, TYR133B, TYR86A, TYR86B, VAL104A, VAL104B, VAL81A, VAL81B, VAL82A, VAL82B
• A-C: CYS126A, GLN192C, GLN74A, LYS130A, LYS187C, LYS188C, LYS190C, SER127A, SER128A, SER129A, SER189C
• B-C: ALA140B, ALA140C, ALA148C, ALA186B, ALA186C, ALA202B, ALA202C, ALA51B, ALA51C, ALA98B, ALA98C, ARG144B, ARG144C, ARG58B, ARG58C, ARG64B, ARG64C, ASN142B, ASN142C, ASN177B, ASN177C, ASN181B, ASN181C, ASN27B, ASN27C, ASN56B, ASN56C, ASN68B, ASN68C, ASN91B, ASN91C, ASP178B, ASP178C, CYS173B, CYS182B, CYS182C, CYS200B, CYS200C, CYS65B, CYS65C, GLN110B, GLN110C, GLN192B, GLN192C, GLU194B, GLU194C, GLU67B, GLU67C, GLU88B, GLU88C, GLY102B, GLY102C, GLY106B, GLY106C, GLY141B, GLY141C, GLY145B, GLY145C, GLY66B, GLY66C, GLY95C, GLY97B, GLY97C, HIS107B, HIS107C, HIS52B, HIS52C, ILE105B, ILE105C, ILE143B, ILE143C, ILE147B, ILE147C, ILE196B, ILE196C, ILE210B, ILE210C, ILE211B, ILE211C, ILE69B, ILE69C, ILE96C, LEU185B, LEU185C, LYS115B, LYS115C, LYS152B, LYS152C, LYS183B, LYS183C, LYS187B, LYS187C, LYS188B, LYS188C, LYS190B, LYS190C, LYS199B, LYS199C, LYS209B, LYS57B, LYS99B, LYS99C, PHE179B, PHE179C, PHE50B, PHE50C, PHE92C, PRO100B, PRO100C, PRO101B, PRO101C, PRO54B, PRO54C, PRO55B, PRO55C, SER103B, SER103C, SER146B, SER146C, SER180B, SER180C, SER184B, SER184C, SER189B, SER189C, SER203B, SER203C, SER53B, SER53C, THR109B, THR109C, THR149B, THR149C, THR193B, THR193C, THR49B, THR49C, THR59B, TRP113B, TRP113C, TRP195B, TRP195C, TRP44B, TRP44C, TRP85B, TRP85C, TYR108B, TYR108C, TYR114B, TYR114C, TYR137C, VAL104B, VAL104C, VAL111C
• B-D: GLN192B, GLN74D, LYS130D, LYS187B, LYS188B, LYS190B, SER127D, SER128D, SER129D, SER189B
• C-D: ALA51C, ALA84C, ALA84D, ASN68D, ASN91C, ASN91D, ASP87C, ASP87D, GLN74C, GLN74D, GLN83C, GLN83D, GLU88C, GLU88D, GLY102C, GLY102D, GLY80C, GLY80D, HIS107C, HIS107D, ILE105C, ILE105D, ILE69C, ILE69D, ILE89C, ILE89D, LEU132C, LEU132D, LYS125C, LYS125D, LYS130C, LYS130D, LYS90C, LYS90D, MET71C, MET71D, PHE50C, PHE50D, PHE70C, PHE70D, PHE76C, PHE76D, PRO100C, PRO100D, PRO75C, PRO75D, PRO77C, PRO77D, SER103C, SER103D, SER127C, SER127D, SER128C, SER128D, SER129C, SER129D, SER72C, SER72D, SER73C, SER73D, TRP85C, TRP85D, TYR108C, TYR108D, TYR131C, TYR131D, TYR133C, TYR133D, TYR86C, TYR86D, VAL104C, VAL104D, VAL81C, VAL81D, VAL82C, VAL82D