3R0L

crystal structure of crotoxin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 61
  • Norm. En. per Res.: -3.0214
• Hub Node: A(3)

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	-29.8099	-16.1537	1694.84	1648.8764	53	20	2	5050	1	7	8
A-C	-17.8463	0.0	1389.11	1371.2637	26	12	0	2558	0	0	0
A-D	-25.9428	0.0	-113.348	-139.2908	47	4	4	4241	0	0	1
B-C	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	0
B-D	0.0	-10.8534	-173.452	-184.3054	61	1	7	6328	0	9	9
C-D	0.0	0.0	-0.1053	-0.1053	3	0	0	17	0	0	0

Interface residues

• A-B: ALA30A, ALA39A, ALA52A, ALA91B, ALA92B, ALA93B, ARG42A, ARG97B, ASN98B, ASP101B, ASP38A, ASP41A, ASP48A, ASP79B, ASP89B, CYS28A, CYS43A, CYS44A, CYS49A, CYS50A, CYS57A, CYS81B, CYS86B, CYS88B, CYS95B, GLN33A, GLN37A, GLN84B, GLU46A, GLU87B, GLY29A, GLY31A, GLY34A, GLY56A, GLY82B, HIS47A, ILE85B, ILE94B, LEU54A, LYS53A, LYS90B, MET100B, PHE45A, PHE96B, PRO36A, PRO80B, SER40A, SER99B, THR55A, THR83B, TRP35A, TYR27A, TYR51A
• A-C: ALA52A, ARG42A, ASN114C, ASP41A, ASP48A, CYS115C, CYS122C, CYS26A, CYS28A, CYS43A, CYS44A, CYS49A, CYS50A, GLN116C, GLN120C, GLN37A, GLU46A, GLY25A, GLY29A, HIS47A, LYS53A, PHE45A, PRO121C, SER40A, TYR27A, TYR51A
• A-D: ALA17D, ALA22D, ALA30A, ARG14D, ASN105D, ASN16D, ASN6D, CYS26A, CYS28A, CYS43A, CYS44A, CYS57A, GLN33A, GLN37A, GLY25A, GLY29A, GLY31A, GLY32A, GLY34A, GLY56A, HIS1D, HIS47A, ILE63D, ILE9D, LEU100D, LEU2D, LEU3D, LEU54A, LYS10D, LYS15D, LYS7D, MET108D, PHE109D, PHE20D, PHE23D, PHE5D, PRO19D, SER40A, THR13D, TRP30D, TRP35A, TRP61D, TYR103D, TYR21D, TYR27A, TYR51A, VAL18D
• B-C: CYS115C, PHE96B
• B-D: ALA17D, ALA22D, ALA91B, ALA92B, ALA93B, ARG114D, ARG97B, ASN105D, ASN16D, ASN58D, ASN6D, ASN98B, ASP101B, ASP112D, ASP78B, ASP79B, ASP89B, CYS75B, CYS81B, CYS86B, CYS88B, CYS95B, GLN33D, GLN84B, GLU72B, GLU77B, GLU87B, GLY106D, GLY25D, GLY29D, GLY31D, GLY32D, GLY71B, GLY76B, GLY82B, HIS1D, ILE73B, ILE85B, ILE94B, LEU2D, LEU3D, LYS60D, LYS90B, MET100B, MET108D, PHE109D, PHE20D, PHE23D, PHE96B, PRO111D, PRO19D, PRO80B, SER113D, SER99B, THR83B, TRP30D, TRP61D, TYR110D, TYR24D, VAL18D, VAL74B
• C-D: ASN16D, CYS115C, VAL18D