2DDB

crystal structure of pseudecin from pseudechis porphyriacus

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 77
  • Norm. En. per Res.: -2.2883
• 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	-26.1751	0.0	-142.727	-168.9021	76	6	0	5898	0	5	7
A-C	0.0	0.0	-3.5709	-3.5709	11	0	0	409	0	0	5
B-C	-37.3493	34.3709	-312.119	-315.0974	144	17	0	13774	0	23	36
B-D	0.0	0.0	-7.4183	-7.4183	12	0	0	503	0	0	6
C-D	-30.4729	0.0	-145.723	-176.1959	77	7	0	5983	0	6	6

Interface residues

• A-B: ALA50A, ALA50B, ALA83A, ALA83B, ASN67A, ASN67B, ASN90A, ASN90B, ASP86A, ASP86B, GLN73A, GLN73B, GLN82A, GLN82B, GLU87A, GLU87B, GLY101A, GLY101B, GLY79A, GLY79B, HIS106A, HIS106B, ILE104A, ILE104B, ILE68A, ILE68B, ILE88A, ILE88B, LEU131A, LEU131B, LYS124A, LYS124B, LYS129A, LYS129B, LYS89A, LYS89B, MET70A, MET70B, PHE49A, PHE49B, PHE69A, PHE69B, PHE75A, PHE75B, PRO74A, PRO74B, PRO76A, PRO76B, SER102A, SER102B, SER126A, SER126B, SER127A, SER127B, SER128A, SER128B, SER71A, SER71B, SER72A, SER72B, TRP84A, TRP84B, TYR107A, TYR107B, TYR130A, TYR130B, TYR132A, TYR132B, TYR85A, TYR85B, VAL103A, VAL103B, VAL80A, VAL80B, VAL81A, VAL81B
• A-C: CYS125A, GLN191C, GLN73A, LYS124A, LYS186C, LYS187C, LYS189C, SER126A, SER127A, SER128A, SER188C
• B-C: ALA139B, ALA139C, ALA147B, ALA147C, ALA185B, ALA185C, ALA201B, ALA50B, ALA50C, ALA97B, ALA97C, ARG143B, ARG143C, ARG57B, ARG57C, ARG63B, ARG63C, ASN141B, ASN141C, ASN176B, ASN180B, ASN180C, ASN26B, ASN55B, ASN55C, ASN67B, ASN67C, ASP177B, ASP177C, CYS172B, CYS181B, CYS181C, CYS199B, CYS199C, CYS64B, CYS64C, GLN109B, GLN109C, GLN191B, GLN191C, GLU193B, GLU193C, GLU66B, GLU66C, GLU87B, GLU87C, GLY101B, GLY101C, GLY105B, GLY105C, GLY140B, GLY140C, GLY144B, GLY144C, GLY65B, GLY65C, GLY94B, GLY94C, GLY96B, GLY96C, HIS106B, HIS106C, HIS51B, HIS51C, ILE104B, ILE104C, ILE142B, ILE142C, ILE146B, ILE146C, ILE195B, ILE195C, ILE209B, ILE210B, ILE68B, ILE68C, LEU184B, LEU184C, LYS114B, LYS151B, LYS182B, LYS182C, LYS186B, LYS186C, LYS187B, LYS187C, LYS189B, LYS189C, LYS197C, LYS198B, LYS198C, LYS208B, LYS98B, LYS98C, PHE178B, PHE178C, PHE49B, PHE49C, PHE69B, PRO100B, PRO100C, PRO53B, PRO53C, PRO54B, PRO54C, PRO99B, PRO99C, SER102B, SER102C, SER145B, SER145C, SER179B, SER179C, SER183B, SER183C, SER188B, SER188C, SER202B, SER52B, SER52C, THR108B, THR108C, THR148B, THR148C, THR192B, THR192C, THR48B, THR48C, THR56B, THR56C, THR58B, TRP112B, TRP112C, TRP194B, TRP194C, TRP43B, TRP43C, TRP84B, TRP84C, TYR107B, TYR107C, TYR113B, VAL103B, VAL103C
• B-D: CYS125D, GLN191B, GLN73D, LYS124D, LYS129D, LYS186B, LYS187B, LYS189B, SER126D, SER127D, SER128D, SER188B
• C-D: ALA50C, ALA50D, ALA83C, ALA83D, ASN90C, ASN90D, ASP86C, ASP86D, GLN73C, GLN73D, GLN82C, GLN82D, GLU87C, GLU87D, GLY101C, GLY101D, GLY79C, GLY79D, HIS106C, HIS106D, ILE104C, ILE104D, ILE68C, ILE68D, ILE88C, ILE88D, LEU131C, LEU131D, LYS124C, LYS124D, LYS129C, LYS129D, LYS2D, LYS89C, LYS89D, MET70C, MET70D, PHE49C, PHE49D, PHE69C, PHE69D, PHE75C, PHE75D, PRO74C, PRO74D, PRO76C, PRO76D, PRO99C, PRO99D, SER102C, SER102D, SER126C, SER126D, SER127C, SER127D, SER128C, SER128D, SER71C, SER71D, SER72C, SER72D, TRP84C, TRP84D, TYR107C, TYR107D, TYR130C, TYR130D, TYR132C, TYR132D, TYR85C, TYR85D, VAL103C, VAL103D, VAL80C, VAL80D, VAL81C, VAL81D