1UOS

the crystal structure of the snake venom toxin convulxin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 12
  • Norm. En. per Res.: -1.37
• 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	-155.3752	-64.1779	57.1621	-162.391	147	51	4	22962	3	39	40
A-C	0.0	0.0	-7.891	-7.891	12	0	0	532	0	2	3
A-D	0.0	-0.3258	-34.566	-34.8918	30	8	0	1706	0	11	15
B-C	0.0	-0.199	-29.0794	-29.2784	29	12	0	1749	0	11	15
B-D	-2.9889	1.4566	-14.9076	-16.44	12	1	0	605	0	4	7
C-D	-133.0182	-59.1669	69.7291	-122.456	142	47	6	22918	3	38	42

Interface residues

• A-B: ALA110B, ALA117A, ALA25B, ALA26A, ALA37A, ALA45A, ALA48A, ALA52A, ALA69B, ARG101B, ARG112A, ARG71A, ASN105B, ASN70B, ASN71B, ASN74A, ASN74B, ASN77B, ASN93A, ASP104B, ASP49A, ASP50B, ASP82B, ASP85A, ASP92A, ASP96A, CYS102A, CYS119A, CYS127A, CYS30A, CYS31B, CYS76B, CYS79A, CYS97B, GLN106B, GLN73A, GLN78A, GLN79B, GLU123B, GLU24A, GLU27A, GLU28B, GLU47A, GLU47B, GLU48B, GLU76A, GLU87B, GLU90B, GLU93B, GLU94B, GLU96B, GLY36A, GLY37B, GLY68B, GLY69A, GLY83B, GLY86A, HIS12A, HIS38A, HIS39B, HIS44B, HIS92B, ILE42A, ILE67B, ILE68A, ILE72B, ILE99A, ILE99B, LEU104A, LEU105A, LEU108B, LEU39A, LEU40B, LEU70A, LEU94A, LEU95A, LEU97A, LEU98B, LYS101A, LYS106A, LYS113A, LYS121B, LYS128A, LYS29B, LYS43A, LYS46A, LYS75A, LYS75B, LYS77A, LYS82A, LYS85B, LYS89B, PHE103B, PHE111A, PHE115A, PHE122B, PHE129A, PHE43B, PHE64B, PRO111B, PRO130A, PRO86B, SER100B, SER103A, SER109B, SER38B, SER41A, SER42B, SER44A, SER45B, SER67A, SER80A, SER81B, SER84A, SER87A, SER88A, SER90A, THR100A, THR109A, THR31A, THR32B, THR46B, THR81A, THR84B, TRP107B, TRP114A, TRP23A, TRP24B, TRP28A, TRP66B, TRP73B, TRP78B, TRP80B, TRP83A, TRP91B, TYR116B, TYR13B, TYR88B, TYR91A, TYR98A, VAL116A, VAL40A, VAL41B, VAL49B, VAL51A, VAL72A, VAL89A
• A-C: LYS82A, LYS82C, SER87A, SER87C, SER88A, SER88C, SER90A, SER90C, TYR91A, TYR91C, VAL89A, VAL89C
• A-D: ALA124D, ARG12D, ARG71A, ASN74A, ASN93A, ASP11D, ASP92A, GLN73A, GLN78A, GLU123D, GLU47D, GLU48D, GLU76A, HIS44D, LYS101A, LYS121D, LYS75A, LYS77A, PHE122D, PHE1D, PHE43D, SER45D, SER88A, SER90A, THR46D, THR81A, TYR10D, TYR13D, TYR91A, VAL89A
• B-C: ALA124B, ARG12B, ARG71C, ASN74C, ASN93C, ASP11B, ASP92C, GLN73C, GLN78C, GLU123B, GLU47B, GLU48B, GLU76C, HIS44B, LYS101C, LYS121B, LYS75C, LYS77C, PHE122B, PHE1B, PHE43B, SER45B, SER88C, SER90C, THR46B, THR81C, TYR13B, TYR91C, VAL89C
• B-D: ASN105B, ASN105D, GLU47B, GLU47D, GLU48B, GLU48D, HIS44B, HIS44D, SER45B, SER45D, THR46B, THR46D
• C-D: ALA110D, ALA117C, ALA37C, ALA45C, ALA48C, ALA52C, ALA69D, ARG101D, ARG112C, ARG71C, ASN105D, ASN70D, ASN71D, ASN74C, ASN74D, ASN77D, ASN93C, ASP104D, ASP49C, ASP50D, ASP82D, ASP85C, ASP92C, ASP96C, CYS102C, CYS119C, CYS30C, CYS31D, CYS76D, CYS79C, CYS97D, GLN106D, GLN73C, GLN78C, GLN79D, GLU123D, GLU24C, GLU27C, GLU28D, GLU47C, GLU47D, GLU48D, GLU76C, GLU87D, GLU90D, GLU93D, GLU94D, GLU96D, GLY36C, GLY37D, GLY68D, GLY69C, GLY83D, GLY86C, HIS12C, HIS38C, HIS39D, HIS44D, HIS92D, ILE42C, ILE67D, ILE68C, ILE72D, ILE99C, ILE99D, LEU104C, LEU105C, LEU108D, LEU39C, LEU40D, LEU70C, LEU94C, LEU95C, LEU97C, LEU98D, LYS101C, LYS106C, LYS113C, LYS121D, LYS128C, LYS43C, LYS46C, LYS75C, LYS75D, LYS77C, LYS82C, LYS85D, LYS89D, PHE103D, PHE111C, PHE115C, PHE122D, PHE129C, PHE43D, PHE64D, PRO111D, PRO130C, PRO86D, SER100D, SER103C, SER109D, SER118C, SER38D, SER41C, SER42D, SER44C, SER45D, SER67C, SER80C, SER81D, SER84C, SER87C, SER88C, SER90C, THR100C, THR109C, THR31C, THR32D, THR46D, THR81C, THR84D, TRP107D, TRP114C, TRP23C, TRP24D, TRP66D, TRP73D, TRP78D, TRP80D, TRP83C, TRP91D, TYR13D, TYR88D, TYR91C, TYR98C, VAL116C, VAL40C, VAL41D, VAL49D, VAL51C, VAL72C, VAL89C