2BYP

crystal structure of aplysia californica achbp in complex with alpha-conotoxin imi

• Total interactions analyzed: 45
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-J
  • Int. Res.: 44
  • Norm. En. per Res.: -4.9656
• 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-B	-31.0315	-11.6841	-298.63	-341.3456	127	9	2	12211	4	32	30
A-E	-30.951	-43.6176	-295.362	-369.9305	125	8	2	12020	4	32	32
A-F	-2.7546	-25.211	-142.366	-170.3316	44	3	0	4742	2	9	9
A-G	-2.478	-10.7158	-63.5375	-76.7313	40	0	1	2867	0	5	7
B-C	-29.3973	-38.721	-324.095	-392.2132	141	5	2	12445	2	31	30
B-G	-4.3113	-17.9254	-138.68	-160.9167	44	0	0	4430	4	9	9
B-H	-4.1927	-9.6529	-67.145	-80.9906	37	0	1	2906	0	6	7
C-D	-32.5145	-28.2398	-279.428	-340.1823	122	9	2	11502	3	31	25
C-H	-11.9351	-38.8266	-139.104	-189.8657	44	1	0	4434	6	9	9
C-I	-11.0876	-10.4908	-72.0449	-93.6233	39	1	1	3063	0	6	8
D-E	-38.0695	-22.1959	-304.221	-364.4865	122	10	2	12129	1	27	21
D-I	-6.0447	-62.9125	-137.288	-206.2452	44	4	0	4362	3	9	9
D-J	-4.6633	-8.7189	-63.4566	-76.8388	39	1	1	2757	0	5	6
E-F	-5.1459	-11.0872	-70.9186	-87.1517	41	6	1	3099	0	5	6
E-J	-11.2832	-64.1442	-143.058	-218.4854	44	3	0	4540	4	9	9

Interface residues

• A-B: ALA107A, ALA120A, ALA141B, ALA170A, ALA43A, ALA4A, ALA92B, ARG122A, ARG207A, ARG79A, ARG8A, ARG97A, ARG97B, ASN48B, ASN5A, ASN63B, ASN74A, ASP-2A, ASP-4A, ASP128B, ASP26B, ASP27B, ASP39A, ASP44B, ASP51A, ASP77A, ASP89B, CYS127B, CYS140B, GLN100A, GLN100B, GLN105A, GLN121A, GLN38A, GLN3A, GLN57A, GLU153B, GLU193B, GLU49B, GLU56A, GLY145B, GLY22B, GLY73A, ILE106A, ILE118A, ILE154B, ILE40A, ILE75A, ILE90B, LEU0A, LEU102A, LEU123A, LEU123B, LEU29B, LEU37A, LEU52A, LEU62B, LEU6A, LYS-1A, LYS10A, LYS143B, LYS173A, LYS25B, LYS42A, MET116A, MET126B, MET19B, MET7A, PHE117A, PHE125B, PHE78A, PRO104A, PRO119A, PRO129B, PRO18B, PRO21B, PRO23B, PRO28B, PRO88B, PRO98B, SER103A, SER11A, SER124A, SER124B, SER146B, SER150B, SER167A, SER171A, SER172A, SER17B, SER2A, SER45B, SER46B, SER64B, SER81A, SER94B, SER95B, THR110A, THR130B, THR139B, THR24B, THR36A, THR47B, THR76A, THR80A, THR87B, THR91B, THR96B, TRP147B, TRP86B, TYR149B, TYR168A, TYR169A, TYR174A, TYR195B, TYR20B, TYR54A, TYR55A, TYR93B, VAL101A, VAL108A, VAL148B, VAL41A, VAL50B, VAL53A, VAL99A, VAL99B
• A-E: ALA107E, ALA120E, ALA141A, ALA170E, ALA43E, ALA4E, ALA92A, ARG122E, ARG16A, ARG207E, ARG79E, ARG8E, ARG97A, ASN15A, ASN48A, ASN5E, ASN63A, ASN74E, ASP-2E, ASP-4E, ASP-5E, ASP128A, ASP26A, ASP27A, ASP39E, ASP44A, ASP51E, ASP77E, ASP89A, CYS127A, CYS140A, GLN100A, GLN100E, GLN105E, GLN121E, GLN38E, GLN3E, GLN57E, GLU153A, GLU193A, GLU49A, GLU56E, GLY145A, GLY22A, GLY73E, HIS1E, ILE106E, ILE118E, ILE154A, ILE40E, ILE75E, ILE90A, LEU0E, LEU102E, LEU123A, LEU29A, LEU37E, LEU52E, LEU62A, LEU6E, LYS-1E, LYS10E, LYS143A, LYS173E, LYS25A, LYS42E, MET116E, MET126A, MET7E, PHE117E, PHE125A, PHE78E, PRO104E, PRO119E, PRO129A, PRO21A, PRO23A, PRO28A, PRO88A, PRO98A, SER103E, SER11E, SER124A, SER124E, SER146A, SER150A, SER167E, SER171E, SER172E, SER2E, SER45A, SER46A, SER64A, SER81E, SER94A, SER95A, THR130A, THR139A, THR24A, THR47A, THR76E, THR80E, THR87A, THR91A, THR96A, TRP147A, TRP86A, TYR149A, TYR168E, TYR169E, TYR174E, TYR195A, TYR20A, TYR54E, TYR55E, TYR93A, TYR9E, VAL101E, VAL108E, VAL148A, VAL41E, VAL50A, VAL53E, VAL99A, VAL99E
• A-F: ALA409F, ARG407F, ARG411F, ASP197A, ASP405F, ASP89A, CYS190A, CYS191A, CYS402F, CYS403F, CYS408F, GLN184A, GLN186A, GLU153A, GLU193A, GLY145A, GLY151A, GLY401F, HIS187A, ILE154A, ILE196A, ILE90A, LEU156A, LYS143A, LYS25A, PHE144A, PHE152A, PRO192A, PRO194A, PRO406F, SER146A, SER150A, SER189A, SER404F, THR91A, TRP147A, TRP410F, TYR149A, TYR188A, TYR195A, TYR93A, VAL148A, VAL185A, VAL198A
• A-G: ALA107A, ALA120A, ALA409G, ARG407G, ARG411G, ARG59A, ARG79A, ASP159A, ASP164A, ASP405G, ASP77A, CYS402G, CYS403G, CYS408G, GLN38A, GLN57A, GLY401G, HIS111A, ILE106A, ILE118A, LEU165A, MET116A, PHE117A, PHE78A, PRO104A, PRO119A, PRO406G, SER103A, SER114A, SER166A, SER167A, SER404G, THR110A, THR36A, THR76A, TRP410G, TYR55A, VAL108A, VAL109A, VAL115A
• B-C: ALA107B, ALA120B, ALA141C, ALA170B, ALA43B, ALA4B, ALA92C, ARG122B, ARG207B, ARG79B, ARG8B, ARG8C, ARG97B, ARG97C, ASN15B, ASN48C, ASN5B, ASN63C, ASN70C, ASN74B, ASP-2B, ASP-3B, ASP-4B, ASP128C, ASP12C, ASP26C, ASP27C, ASP39B, ASP44C, ASP51B, ASP68C, ASP77B, ASP84B, ASP89C, CYS127C, CYS140C, GLN100B, GLN100C, GLN105B, GLN121B, GLN38B, GLN3B, GLN57B, GLU153C, GLU193C, GLU49C, GLU56B, GLU71C, GLY145C, GLY22C, GLY73B, HIS1B, ILE106B, ILE118B, ILE154C, ILE40B, ILE75B, ILE90C, LEU0B, LEU102B, LEU123C, LEU13C, LEU29C, LEU37B, LEU52B, LEU62C, LEU6B, LEU9C, LYS-1B, LYS10B, LYS143C, LYS173B, LYS25C, LYS42B, MET116B, MET126C, MET19C, MET66C, MET7B, PHE117B, PHE125C, PHE78B, PRO104B, PRO119B, PRO129C, PRO18C, PRO21C, PRO23C, PRO28C, PRO69C, PRO88C, PRO98C, SER103B, SER11B, SER124B, SER124C, SER146C, SER150C, SER167B, SER171B, SER172B, SER17C, SER2B, SER45C, SER46C, SER64C, SER81B, SER94C, SER95C, THR130C, THR139C, THR24C, THR36B, THR47C, THR76B, THR80B, THR87C, THR91C, THR96C, TRP147C, TRP67C, TRP86C, TYR149C, TYR168B, TYR169B, TYR174B, TYR195C, TYR20C, TYR54B, TYR55B, TYR72C, TYR93C, TYR9B, VAL101B, VAL108B, VAL142C, VAL148C, VAL41B, VAL53B, VAL99B, VAL99C
• B-G: ALA409G, ARG407G, ARG411G, ASP197B, ASP405G, ASP89B, CYS190B, CYS191B, CYS402G, CYS403G, CYS408G, GLN184B, GLN186B, GLU153B, GLU193B, GLY145B, GLY151B, GLY401G, HIS187B, ILE154B, ILE196B, ILE90B, LEU156B, LYS143B, LYS25B, PHE144B, PHE152B, PRO192B, PRO194B, PRO406G, SER146B, SER150B, SER189B, SER404G, THR91B, TRP147B, TRP410G, TYR149B, TYR188B, TYR195B, TYR93B, VAL148B, VAL185B, VAL198B
• B-H: ALA107B, ALA120B, ALA409H, ARG407H, ARG411H, ARG59B, ARG79B, ASP164B, ASP405H, ASP77B, CYS402H, CYS403H, CYS408H, GLN57B, GLY401H, HIS111B, ILE118B, LEU165B, MET116B, PHE117B, PHE78B, PRO104B, PRO119B, PRO406H, SER103B, SER114B, SER166B, SER167B, SER404H, THR110B, THR36B, THR76B, TRP410H, TYR55B, VAL108B, VAL109B, VAL115B
• C-D: ALA107C, ALA120C, ALA141D, ALA170C, ALA43C, ALA4C, ALA82C, ALA92D, ARG122C, ARG207C, ARG79C, ARG8C, ARG97D, ASN48D, ASN5C, ASN63D, ASN74C, ASP-2C, ASP128D, ASP26D, ASP27D, ASP39C, ASP44D, ASP51C, ASP77C, ASP89D, CYS127D, CYS140D, GLN100C, GLN105C, GLN121C, GLN38C, GLN3C, GLN57C, GLU153D, GLU193D, GLU49D, GLU56C, GLY145D, GLY22D, GLY73C, HIS1C, ILE106C, ILE118C, ILE154D, ILE40C, ILE75C, ILE90D, LEU0C, LEU102C, LEU123C, LEU123D, LEU29D, LEU37C, LEU52C, LEU62D, LEU6C, LYS-1C, LYS10C, LYS143D, LYS173C, LYS25D, LYS42C, MET116C, MET126D, MET19D, MET7C, PHE117C, PHE125D, PHE78C, PRO104C, PRO119C, PRO129D, PRO21D, PRO23D, PRO28D, PRO88D, PRO98D, SER103C, SER11C, SER124D, SER146D, SER150D, SER167C, SER171C, SER172C, SER2C, SER45D, SER46D, SER64D, SER81C, SER94D, SER95D, THR130D, THR139D, THR24D, THR36C, THR47D, THR80C, THR87D, THR91D, THR96D, TRP147D, TRP86D, TYR149D, TYR168C, TYR169C, TYR174C, TYR195D, TYR20D, TYR54C, TYR55C, TYR93D, VAL101C, VAL108C, VAL142D, VAL148D, VAL41C, VAL50D, VAL53C, VAL99C, VAL99D
• C-H: ALA409H, ARG407H, ARG411H, ASP197C, ASP405H, ASP89C, CYS190C, CYS191C, CYS402H, CYS403H, CYS408H, GLN184C, GLN186C, GLU153C, GLU193C, GLY145C, GLY151C, GLY401H, HIS187C, ILE154C, ILE196C, ILE90C, LEU156C, LYS143C, LYS25C, PHE144C, PHE152C, PRO192C, PRO194C, PRO406H, SER146C, SER150C, SER189C, SER404H, THR91C, TRP147C, TRP410H, TYR149C, TYR188C, TYR195C, TYR93C, VAL148C, VAL185C, VAL198C
• C-I: ALA107C, ALA120C, ALA409I, ARG407I, ARG411I, ARG59C, ARG79C, ASP159C, ASP164C, ASP405I, ASP77C, CYS402I, CYS403I, CYS408I, GLN57C, GLY401I, HIS111C, ILE106C, ILE118C, LEU165C, MET116C, PHE117C, PHE78C, PRO104C, PRO119C, PRO406I, SER103C, SER114C, SER166C, SER167C, SER404I, THR110C, THR36C, THR76C, TRP410I, TYR55C, VAL108C, VAL109C, VAL115C
• D-E: ALA107D, ALA120D, ALA141E, ALA170D, ALA43D, ALA4D, ALA92E, ARG122D, ARG207D, ARG79D, ARG8D, ARG97D, ARG97E, ASN48E, ASN5D, ASN63E, ASN74D, ASP128E, ASP26E, ASP27E, ASP39D, ASP44E, ASP51D, ASP77D, ASP89E, CYS127E, CYS140E, GLN100D, GLN100E, GLN105D, GLN121D, GLN38D, GLN3D, GLN57D, GLU153E, GLU193E, GLU49E, GLU56D, GLY145E, GLY22E, GLY73D, HIS1D, ILE106D, ILE118D, ILE154E, ILE40D, ILE75D, ILE90E, LEU0D, LEU102D, LEU123D, LEU123E, LEU37D, LEU52D, LEU62E, LEU65E, LEU6D, LYS10D, LYS143E, LYS173D, LYS25E, LYS42D, MET116D, MET126E, MET7D, PHE117D, PHE125E, PHE78D, PRO104D, PRO119D, PRO129E, PRO21E, PRO23E, PRO28E, PRO88E, PRO98E, SER103D, SER11D, SER124D, SER124E, SER146E, SER150E, SER167D, SER171D, SER172D, SER17E, SER2D, SER45E, SER46E, SER64E, SER81D, SER94E, SER95E, THR130E, THR139E, THR24E, THR36D, THR47E, THR76D, THR80D, THR87E, THR91E, THR96E, TRP147E, TRP86E, TYR149E, TYR168D, TYR169D, TYR174D, TYR195E, TYR20E, TYR54D, TYR55D, TYR93E, VAL101D, VAL108D, VAL148E, VAL41D, VAL50E, VAL53D, VAL99D, VAL99E
• D-I: ALA409I, ARG407I, ARG411I, ASP197D, ASP405I, ASP89D, CYS190D, CYS191D, CYS402I, CYS403I, CYS408I, GLN184D, GLN186D, GLU153D, GLU193D, GLY145D, GLY151D, GLY401I, HIS187D, ILE154D, ILE196D, ILE90D, LEU156D, LYS143D, LYS25D, PHE144D, PHE152D, PRO192D, PRO194D, PRO406I, SER146D, SER150D, SER189D, SER404I, THR91D, TRP147D, TRP410I, TYR149D, TYR188D, TYR195D, TYR93D, VAL148D, VAL185D, VAL198D
• D-J: ALA107D, ALA120D, ALA409J, ARG407J, ARG411J, ARG59D, ARG79D, ASP164D, ASP405J, ASP77D, CYS402J, CYS403J, CYS408J, GLN57D, GLY401J, HIS111D, ILE118D, LEU165D, MET116D, PHE117D, PHE35D, PHE78D, PRO104D, PRO119D, PRO406J, SER103D, SER114D, SER166D, SER167D, SER404J, THR110D, THR36D, THR76D, TRP410J, TYR168D, TYR55D, VAL108D, VAL109D, VAL115D
• E-F: ALA107E, ALA120E, ALA409F, ARG407F, ARG411F, ARG59E, ARG79E, ASP164E, ASP405F, ASP77E, CYS402F, CYS403F, CYS408F, GLN38E, GLN57E, GLY401F, HIS111E, ILE106E, ILE118E, LEU165E, MET116E, PHE117E, PHE35E, PHE78E, PRO104E, PRO119E, PRO406F, SER103E, SER114E, SER166E, SER167E, SER404F, THR110E, THR36E, THR76E, TRP410F, TYR168E, TYR55E, VAL108E, VAL109E, VAL115E
• E-J: ALA409J, ARG407J, ARG411J, ASP197E, ASP405J, ASP89E, CYS190E, CYS191E, CYS402J, CYS403J, CYS408J, GLN184E, GLN186E, GLU153E, GLU193E, GLY145E, GLY151E, GLY401J, HIS187E, ILE154E, ILE196E, ILE90E, LEU156E, LYS143E, LYS25E, PHE144E, PHE152E, PRO192E, PRO194E, PRO406J, SER146E, SER150E, SER189E, SER404J, THR91E, TRP147E, TRP410J, TYR149E, TYR188E, TYR195E, TYR93E, VAL148E, VAL185E, VAL198E