1YI5

crystal structure of the a-cobratoxin-achbp complex

• Total interactions analyzed: 45
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 51
  • Norm. En. per Res.: -3.1984
• Hub Node: A(4)

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-F	-9.1892	13.0616	-150.035	-146.1627	50	9	0	5717	0	11	10
A-B	-7.9851	-30.3996	-235.141	-273.5257	123	7	4	11300	7	36	27
A-E	-9.4907	-26.2412	-221.01	-256.7419	124	4	3	10797	6	36	28
A-J	0.0	4.8569	-85.3034	-80.4465	50	2	2	4352	0	13	10
F-B	0.0	9.8194	-68.5927	-58.7734	48	4	2	3798	0	16	10
B-G	-16.6136	11.9547	-158.461	-163.1199	51	12	1	5942	0	10	10
B-C	-9.0805	-15.6014	-235.735	-260.4169	126	14	4	11481	7	38	27
G-C	0.0	15.7912	-68.3425	-52.5513	49	6	2	3657	0	14	10
C-H	-9.0134	10.9609	-164.385	-162.4376	52	7	1	6021	0	11	10
C-D	-8.7637	-24.9556	-237.404	-271.1233	126	12	4	11441	5	36	28
H-D	0.0	19.732	-67.8589	-48.1269	50	7	2	3848	0	17	10
D-I	-8.8083	11.9706	-134.705	-131.5428	50	12	1	5828	0	10	9
D-E	-9.5986	-27.4506	-207.704	-244.7533	125	11	3	10916	7	36	28
I-E	0.0	19.0879	-63.3831	-44.2952	49	10	2	4041	0	13	10
E-J	-14.296	10.1607	-139.111	-143.2463	52	8	0	5629	0	11	10

Interface residues

• A-F: ALA191A, ALA28F, ARG148A, ARG33F, ARG36F, ARG68F, ASN181A, ASP194A, ASP27F, ASP38F, ASP8F, CYS187A, CYS188A, CYS26F, CYS30F, GLU190A, GLU193A, GLY34F, HIS145A, HIS146A, ILE32F, ILE9F, LEU39F, LYS139A, LYS180A, LYS23F, LYS35F, PHE29F, PHE65F, PRO189A, PRO66F, PRO7F, SER142A, SER147A, SER182A, SER186A, SER31F, THR10F, THR144A, THR184A, THR24F, THR67F, THR6F, TRP143A, TRP25F, TYR185A, TYR192A, TYR89A, VAL183A, VAL37F
• A-B: ALA103B, ALA4B, ALA87A, ALA88A, ALA91A, ARG104B, ARG118B, ARG11B, ARG120A, ARG137A, ARG148A, ARG15A, ARG170B, ARG23A, ARG25A, ARG3B, ASN37B, ASN42A, ASN46A, ASN90A, ASN9B, ASP124A, ASP17A, ASP24A, ASP2B, ASP49B, ASP5B, ASP72B, ASP85A, CYS123A, CYS136A, CYS187A, CYS188A, GLN101B, GLN119A, GLN12B, GLN167B, GLN22A, GLN54B, GLN55B, GLN73B, GLU149A, GLU40B, GLU43A, GLU47A, GLU96B, GLY141A, HIS145A, HIS146A, ILE117B, ILE138A, ILE150A, ILE19A, ILE36B, ILE38B, ILE44A, ILE6B, ILE78B, ILE92A, LEU102B, LEU112B, LEU1B, LEU39B, LEU7B, LEU86A, LEU98B, LYS139A, LYS203B, LYS204B, LYS94A, LYS94B, MET114B, PHE121A, PHE171B, PHE52B, PRO100B, PRO115B, PRO16A, PRO189A, PRO20A, PRO26A, PRO71B, PRO77B, PRO84A, PRO95A, PRO95B, SER116B, SER122A, SER126A, SER142A, SER147A, SER166B, SER169B, SER70B, SER75B, SER80B, SER93A, THR135A, THR144A, THR21A, THR45A, THR62A, THR99B, TRP143A, TRP53B, TRP82A, TYR113B, TYR164B, TYR168B, TYR185A, TYR192A, TYR89A, TYR8B, VAL105B, VAL125A, VAL18A, VAL27A, VAL41B, VAL51B, VAL74B, VAL76B, VAL83A, VAL97B
• A-E: ALA103A, ALA4A, ALA87E, ALA88E, ALA91E, ARG104A, ARG118A, ARG11A, ARG120E, ARG137E, ARG148E, ARG15E, ARG170A, ARG23E, ARG25E, ARG3A, ASN37A, ASN42E, ASN46E, ASN90E, ASN9A, ASP124E, ASP17E, ASP24E, ASP2A, ASP49A, ASP5A, ASP72A, ASP85E, CYS123E, CYS136E, CYS187E, CYS188E, GLN101A, GLN119E, GLN12A, GLN167A, GLN22E, GLN54A, GLN55A, GLN73A, GLU149E, GLU196E, GLU40A, GLU43E, GLU47E, GLU96A, GLY141E, HIS145E, HIS146E, ILE117A, ILE138E, ILE150E, ILE19E, ILE36A, ILE38A, ILE44E, ILE6A, ILE78A, ILE92E, LEU102A, LEU112A, LEU1A, LEU39A, LEU7A, LEU86E, LEU98A, LYS139E, LYS203A, LYS204A, LYS94A, LYS94E, MET114A, PHE121E, PHE171A, PHE52A, PRO100A, PRO115A, PRO16E, PRO189E, PRO20E, PRO26E, PRO71A, PRO77A, PRO84E, PRO95A, PRO95E, SER116A, SER122E, SER126E, SER142E, SER147E, SER166A, SER169A, SER70A, SER75A, SER79A, SER80A, SER93E, THR135E, THR144E, THR21E, THR45E, THR62E, THR99A, TRP143E, TRP53A, TRP82E, TYR113A, TYR164A, TYR168A, TYR185E, TYR192E, TYR89E, TYR8A, VAL105A, VAL125E, VAL18E, VAL27E, VAL51A, VAL74A, VAL76A, VAL83E, VAL97A
• A-J: ALA103A, ALA28J, ARG104A, ARG33J, ARG36J, ASP160A, ASP161A, ASP27J, CYS26J, CYS30J, GLN167A, GLN178A, GLN54A, GLN55A, GLN73A, GLU110A, GLU163A, GLY51J, ILE32J, ILE36A, LEU102A, LEU112A, LYS34A, LYS35J, LYS49J, MET114A, PHE165A, PHE29J, PHE35A, PRO115A, SER159A, SER162A, SER30A, SER31J, SER32A, SER75A, THR155A, THR50J, THR56A, THR57A, THR99A, TRP25J, TRP53A, TYR113A, TYR164A, VAL105A, VAL106A, VAL111A, VAL31A, VAL52J
• F-B: ALA103B, ALA28F, ARG104B, ARG33F, ARG36F, ASN158B, ASP160B, ASP161B, ASP27F, CYS26F, CYS30F, GLN54B, GLN55B, GLN73B, GLU110B, GLU163B, GLY51F, ILE32F, ILE36B, LEU102B, LEU112B, LYS34B, LYS49F, MET114B, PHE165B, PHE29F, PHE35B, SER159B, SER162B, SER30B, SER31F, SER32B, SER75B, THR155B, THR156B, THR50F, THR56B, THR57B, THR99B, TRP25F, TRP53B, TYR113B, TYR164B, VAL105B, VAL106B, VAL111B, VAL31B, VAL52F
• B-G: ALA191B, ALA28G, ARG148B, ARG33G, ARG36G, ARG68G, ASN181B, ASP194B, ASP27G, ASP38G, ASP8G, CYS187B, CYS188B, CYS26G, CYS30G, GLU190B, GLU193B, GLY34G, HIS145B, HIS146B, ILE32G, ILE5G, ILE9G, LEU39G, LYS139B, LYS180B, LYS23G, LYS35G, PHE29G, PHE65G, PRO189B, PRO66G, PRO7G, SER142B, SER147B, SER182B, SER186B, SER31G, THR10G, THR144B, THR184B, THR24G, THR67G, THR6G, TRP143B, TRP25G, TYR185B, TYR192B, TYR89B, VAL183B, VAL37G
• B-C: ALA103C, ALA4C, ALA87B, ALA88B, ALA91B, ARG104C, ARG118C, ARG11C, ARG120B, ARG137B, ARG148B, ARG15B, ARG170C, ARG206C, ARG23B, ARG25B, ARG3C, ASN37C, ASN42B, ASN46B, ASN90B, ASN9C, ASP124B, ASP17B, ASP194B, ASP24B, ASP2C, ASP49C, ASP5C, ASP72C, ASP85B, CYS123B, CYS136B, CYS187B, CYS188B, GLN101C, GLN119B, GLN12C, GLN167C, GLN22B, GLN54C, GLN55C, GLN73C, GLU149B, GLU40C, GLU43B, GLU47B, GLU96C, GLY127B, GLY141B, HIS145B, HIS146B, ILE117C, ILE138B, ILE150B, ILE19B, ILE36C, ILE38C, ILE44B, ILE6C, ILE92B, LEU102C, LEU112C, LEU1C, LEU39C, LEU7C, LEU86B, LEU98C, LYS139B, LYS203C, LYS204C, LYS94B, LYS94C, MET114C, PHE121B, PHE171C, PHE52C, PRO100C, PRO115C, PRO16B, PRO189B, PRO20B, PRO26B, PRO71C, PRO77C, PRO84B, PRO95B, PRO95C, SER116C, SER122B, SER126B, SER142B, SER147B, SER166C, SER169C, SER70C, SER75C, SER80C, SER93B, THR144B, THR21B, THR45B, THR62B, THR99C, TRP143B, TRP53C, TRP82B, TYR113C, TYR164C, TYR168C, TYR185B, TYR192B, TYR89B, TYR8C, VAL105C, VAL125B, VAL183B, VAL18B, VAL27B, VAL41C, VAL50C, VAL51C, VAL74C, VAL76C, VAL83B, VAL97C
• G-C: ALA103C, ALA28G, ARG104C, ARG33G, ARG36G, ASP160C, ASP161C, ASP27G, CYS26G, CYS30G, GLN178C, GLN54C, GLN55C, GLN73C, GLU110C, GLU163C, GLY34G, GLY51G, ILE32G, ILE36C, LEU102C, LEU112C, LYS34C, LYS35G, LYS49G, MET114C, PHE165C, PHE29G, PHE35C, SER159C, SER162C, SER30C, SER31G, SER32C, SER75C, THR155C, THR50G, THR56C, THR57C, THR99C, TRP25G, TRP53C, TYR113C, TYR164C, VAL105C, VAL106C, VAL111C, VAL31C, VAL52G
• C-H: ALA191C, ALA28H, ARG148C, ARG33H, ARG36H, ARG68H, ASN181C, ASP24C, ASP27H, ASP38H, ASP85C, ASP8H, CYS187C, CYS188C, CYS26H, CYS30H, GLU190C, GLU193C, GLY34H, HIS145C, HIS146C, ILE32H, ILE5H, ILE9H, LEU39H, LYS139C, LYS180C, LYS23H, LYS35H, PHE29H, PHE65H, PRO189C, PRO66H, PRO7H, SER142C, SER147C, SER182C, SER186C, SER31H, THR10H, THR144C, THR184C, THR24H, THR67H, THR6H, TRP143C, TRP25H, TYR185C, TYR192C, TYR89C, VAL183C, VAL37H
• C-D: ALA103D, ALA4D, ALA87C, ALA88C, ALA91C, ARG104D, ARG118D, ARG11D, ARG120C, ARG137C, ARG148C, ARG15C, ARG170D, ARG23C, ARG25C, ARG3D, ASN181C, ASN37D, ASN42C, ASN46C, ASN90C, ASN9D, ASP124C, ASP17C, ASP194C, ASP24C, ASP2D, ASP49D, ASP5D, ASP72D, ASP85C, CYS123C, CYS136C, CYS187C, CYS188C, GLN101D, GLN119C, GLN12D, GLN167D, GLN22C, GLN54D, GLN55D, GLN73D, GLU149C, GLU163D, GLU40D, GLU43C, GLU47C, GLU96D, GLY141C, HIS145C, HIS146C, ILE117D, ILE138C, ILE150C, ILE19C, ILE36D, ILE38D, ILE44C, ILE6D, ILE78D, ILE92C, LEU102D, LEU112D, LEU1D, LEU39D, LEU7D, LEU86C, LEU98D, LYS139C, LYS204D, LYS94C, LYS94D, MET114D, PHE121C, PHE171D, PRO100D, PRO115D, PRO16C, PRO189C, PRO20C, PRO26C, PRO71D, PRO77D, PRO84C, PRO95C, PRO95D, SER116D, SER122C, SER126C, SER142C, SER147C, SER166D, SER169D, SER75D, SER80D, SER93C, THR135C, THR144C, THR21C, THR45C, THR62C, THR99D, TRP143C, TRP53D, TRP82C, TYR113D, TYR164D, TYR168D, TYR185C, TYR192C, TYR89C, TYR8D, VAL105D, VAL106D, VAL125C, VAL183C, VAL18C, VAL27C, VAL41D, VAL48C, VAL51D, VAL74D, VAL76D, VAL83C, VAL97D
• H-D: ALA103D, ALA28H, ARG104D, ARG33H, ARG36H, ASN158D, ASP160D, ASP27H, CYS26H, CYS30H, GLN178D, GLN54D, GLN55D, GLN73D, GLU110D, GLU157D, GLU163D, GLY34H, GLY51H, ILE32H, ILE36D, LEU102D, LEU112D, LYS34D, LYS35H, LYS49H, MET114D, PHE165D, PHE29H, PHE35D, SER159D, SER162D, SER30D, SER31H, SER32D, SER75D, THR155D, THR156D, THR50H, THR56D, THR57D, THR99D, TRP25H, TRP53D, TYR113D, TYR164D, VAL105D, VAL106D, VAL111D, VAL52H
• D-I: ALA191D, ALA28I, ARG148D, ARG33I, ARG36I, ASN181D, ASP194D, ASP27I, ASP38I, ASP8I, CYS187D, CYS188D, CYS26I, CYS30I, GLU190D, GLU193D, GLY34I, HIS145D, HIS146D, ILE32I, ILE5I, ILE9I, LEU39I, LYS139D, LYS180D, LYS23I, LYS35I, PHE29I, PHE65I, PRO189D, PRO66I, PRO7I, SER142D, SER147D, SER182D, SER186D, SER31I, THR10I, THR144D, THR184D, THR24I, THR67I, THR6I, TRP143D, TRP25I, TYR185D, TYR192D, TYR89D, VAL183D, VAL37I
• D-E: ALA103E, ALA4E, ALA87D, ALA88D, ALA91D, ARG104E, ARG118E, ARG11E, ARG120D, ARG137D, ARG148D, ARG15D, ARG170E, ARG23D, ARG25D, ARG3E, ASN37E, ASN42D, ASN46D, ASN90D, ASN9E, ASP124D, ASP17D, ASP24D, ASP2E, ASP49E, ASP5E, ASP72E, ASP85D, CYS123D, CYS136D, CYS187D, CYS188D, GLN101E, GLN119D, GLN12E, GLN167E, GLN22D, GLN54E, GLN55E, GLN73E, GLU149D, GLU163E, GLU40E, GLU43D, GLU47D, GLU96E, GLY141D, HIS145D, HIS146D, ILE10E, ILE117E, ILE138D, ILE150D, ILE19D, ILE36E, ILE38E, ILE44D, ILE6E, ILE78E, ILE92D, LEU102E, LEU112E, LEU1E, LEU39E, LEU7E, LEU86D, LEU98E, LYS139D, LYS203E, LYS204E, LYS94D, LYS94E, MET114E, PHE121D, PHE171E, PRO100E, PRO115E, PRO16D, PRO189D, PRO20D, PRO26D, PRO71E, PRO77E, PRO84D, PRO95D, PRO95E, SER116E, SER122D, SER126D, SER142D, SER147D, SER166E, SER169E, SER70E, SER75E, SER80E, SER93D, THR135D, THR144D, THR21D, THR45D, THR62D, THR99E, TRP143D, TRP53E, TRP82D, TYR113E, TYR164E, TYR168E, TYR185D, TYR192D, TYR89D, TYR8E, VAL105E, VAL106E, VAL125D, VAL18D, VAL27D, VAL41E, VAL51E, VAL74E, VAL76E, VAL83D, VAL97E
• I-E: ALA103E, ALA28I, ARG104E, ARG33I, ARG36I, ASN158E, ASP160E, ASP161E, ASP27I, CYS26I, CYS30I, GLN54E, GLN55E, GLN73E, GLU110E, GLU163E, GLY34I, GLY51I, ILE32I, ILE36E, LEU102E, LEU112E, LYS34E, LYS35I, LYS49I, MET114E, PHE165E, PHE29I, PHE35E, SER159E, SER162E, SER30E, SER31I, SER32E, SER75E, THR155E, THR50I, THR56E, THR57E, THR99E, TRP25I, TRP53E, TYR113E, TYR164E, VAL105E, VAL106E, VAL111E, VAL31E, VAL52I
• E-J: ALA191E, ALA28J, ARG148E, ARG33J, ARG36J, ARG68J, ASN181E, ASP27J, ASP38J, ASP85E, ASP8J, CYS187E, CYS188E, CYS26J, CYS30J, GLU149E, GLU190E, GLU193E, GLY34J, HIS145E, HIS146E, ILE32J, ILE5J, ILE9J, LEU39J, LYS139E, LYS180E, LYS23J, LYS35J, PHE29J, PHE65J, PRO189E, PRO66J, PRO7J, SER142E, SER147E, SER182E, SER186E, SER31J, THR10J, THR144E, THR184E, THR24J, THR67J, THR6J, TRP143E, TRP25J, TYR185E, TYR192E, TYR89E, VAL183E, VAL37J