3IFX

crystal structure of the spin-labeled kcsa mutant v48r1

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 95
  • Norm. En. per Res.: -2.1241
• 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	0.0	-15.3563	-129.994	-145.3503	96	29	9	8682	1	5	9
A-C	0.0	0.0	-3.2184	-3.2184	21	0	1	268	0	1	1
A-D	-5.5876	0.0	-196.203	-201.7906	95	25	11	9072	1	4	10
B-C	0.0	-3.2906	-161.931	-165.2216	98	22	13	7893	0	5	10
B-D	0.0	0.0	-5.0831	-5.0831	24	0	1	363	0	0	2
C-D	0.0	-9.5887	-192.844	-202.4327	96	27	11	8843	0	5	10

Interface residues

• A-B: ALA108A, ALA108B, ALA109A, ALA109B, ALA111A, ALA111B, ALA23B, ALA28B, ALA29B, ALA31B, ALA32B, ALA73A, ALA73B, ALA92B, ALA98B, ARG117A, ARG27B, ARG64A, ARG89B, ASP80A, ASP80B, GLN58A, GLU118A, GLU71A, GLU71B, GLY104A, GLY104B, GLY116A, GLY116B, GLY30B, GLY77A, GLY77B, GLY79A, GLY79B, GLY88B, GLY99A, GLY99B, HIS25B, ILE100A, ILE100B, LEU105B, LEU110A, LEU110B, LEU24B, LEU36A, LEU40A, LEU66A, LEU81A, LEU81B, LEU86B, LEU90B, MET96B, PHE103A, PHE103B, PHE114A, PRO63A, PRO83B, SER102A, SER102B, SER69A, SER69B, THR101B, THR107A, THR107B, THR112A, THR112B, THR72A, THR72B, THR74A, THR74B, THR75A, THR75B, THR85B, TRP113A, TRP113B, TRP26B, TRP67A, TRP68A, TRP68B, TRP87B, TYR78A, TYR78B, TYR82B, VAL106A, VAL106B, VAL115A, VAL115B, VAL70A, VAL76A, VAL76B, VAL84B, VAL91B, VAL93B, VAL94B, VAL95B, VAL97B
• A-C: ALA108A, ALA108C, ALA111A, ALA111C, GLY104A, GLY104C, GLY77A, GLY77C, GLY79A, GLY79C, THR107A, THR107C, THR112C, THR75A, THR75C, TYR78A, TYR78C, VAL115A, VAL115C, VAL76A, VAL76C
• A-D: ALA108A, ALA108D, ALA109A, ALA109D, ALA111A, ALA111D, ALA23A, ALA28A, ALA29A, ALA32A, ALA65D, ALA73A, ALA73D, ALA92A, ALA98A, ARG117D, ARG27A, ARG64D, ARG89A, ASP80A, ASP80D, GLN119A, GLN58D, GLU118D, GLU71A, GLU71D, GLY104A, GLY104D, GLY116A, GLY116D, GLY30A, GLY77A, GLY77D, GLY79A, GLY79D, GLY88A, GLY99D, HIS25A, ILE100A, ILE100D, LEU105A, LEU110A, LEU110D, LEU24A, LEU40D, LEU59A, LEU66D, LEU81A, LEU81D, LEU86A, LEU90A, MET96A, PHE103A, PHE103D, PHE114D, PRO63D, PRO83A, SER102A, SER69A, THR101A, THR107A, THR107D, THR112A, THR112D, THR72A, THR72D, THR74A, THR74D, THR75A, THR75D, THR85A, TRP113A, TRP113D, TRP26A, TRP26D, TRP67D, TRP68A, TRP68D, TRP87A, TYR78A, TYR78D, TYR82A, VAL106A, VAL106D, VAL115A, VAL115D, VAL70D, VAL76A, VAL76D, VAL84A, VAL91A, VAL93A, VAL94A, VAL95A, VAL97A
• B-C: ALA108B, ALA108C, ALA109B, ALA109C, ALA111B, ALA111C, ALA23C, ALA28C, ALA29C, ALA47C, ALA65B, ALA73B, ALA73C, ALA92C, ALA98C, ARG117B, ARG117C, ARG27C, ARG64B, ARG89C, ASP80B, ASP80C, GLN119C, GLN58B, GLU118B, GLU118C, GLU51C, GLU71B, GLU71C, GLY104B, GLY104C, GLY116B, GLY116C, GLY77B, GLY77C, GLY79B, GLY79C, GLY88C, GLY99B, HIS25C, ILE100B, ILE100C, LEU105C, LEU110B, LEU110C, LEU24C, LEU36B, LEU59C, LEU66B, LEU81B, LEU81C, LEU86C, LEU90C, MET96C, PHE103B, PHE103C, PHE114B, PRO63B, PRO83C, SER102B, SER69B, SER69C, THR101C, THR107B, THR107C, THR112B, THR112C, THR72B, THR72C, THR74B, THR74C, THR75B, THR75C, THR85C, TRP113B, TRP113C, TRP26C, TRP67B, TRP68B, TRP68C, TRP87C, TYR78B, TYR78C, TYR82C, VAL106B, VAL106C, VAL115B, VAL115C, VAL37B, VAL70B, VAL76B, VAL76C, VAL84C, VAL91C, VAL93C, VAL94C, VAL95C, VAL97C
• B-D: ALA108B, ALA108D, ALA111B, ALA111D, GLY104B, GLY104D, GLY77B, GLY77D, GLY79B, GLY79D, THR107B, THR107D, THR112B, THR112D, THR74B, THR74D, THR75B, THR75D, TYR78B, TYR78D, VAL115B, VAL115D, VAL76B, VAL76D
• C-D: ALA108C, ALA108D, ALA109C, ALA109D, ALA111C, ALA111D, ALA28D, ALA29D, ALA31D, ALA32D, ALA65C, ALA73C, ALA73D, ALA92D, ALA98D, ARG117C, ARG27D, ARG64C, ARG89D, ASP80C, ASP80D, GLN58C, GLU118C, GLU71C, GLU71D, GLY104C, GLY104D, GLY116C, GLY116D, GLY30D, GLY77C, GLY77D, GLY79C, GLY79D, GLY88D, GLY99C, HIS25D, ILE100C, ILE100D, LEU105D, LEU110C, LEU110D, LEU24D, LEU36C, LEU40C, LEU59D, LEU66C, LEU81C, LEU81D, LEU86D, LEU90D, MET96D, PHE103C, PHE103D, PHE114C, PRO63C, PRO83D, SER102C, SER102D, SER69C, THR101D, THR107C, THR107D, THR112C, THR112D, THR72C, THR72D, THR74C, THR74D, THR75C, THR75D, THR85D, TRP113C, TRP113D, TRP26C, TRP26D, TRP67C, TRP68C, TRP68D, TRP87D, TYR78C, TYR78D, TYR82D, VAL106C, VAL106D, VAL115C, VAL115D, VAL70C, VAL76C, VAL76D, VAL84D, VAL91D, VAL93D, VAL94D, VAL95D, VAL97D