3K5B

crystal structure of the peripheral stalk of thermus thermophilus h+- atpase/synthase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: G-E
  • Int. Res.: 202
  • Norm. En. per Res.: -3.5605
• Hub Node: G(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
G-E	-56.2016	-190.7011	-472.328	-719.2307	202	38	60	23452	9	99	88
G-B	0.0	31.0214	-16.6534	14.368	29	7	0	1263	0	29	31
G-A	0.0	0.0	-0.0117	-0.0117	3	0	0	7	0	1	0
E-B	0.0	0.0	-0.0091	-0.0091	2	0	0	6	0	0	0
B-A	-42.8748	-196.2387	-412.114	-651.2275	201	19	54	21307	13	101	94

Interface residues

• G-E: ALA103G, ALA105G, ALA110G, ALA112G, ALA14E, ALA169E, ALA174E, ALA177E, ALA183E, ALA185E, ALA23E, ALA25E, ALA27E, ALA29E, ALA34E, ALA38E, ALA39G, ALA40G, ALA44G, ALA48E, ALA51E, ALA51G, ALA53G, ALA55E, ALA55G, ALA56E, ALA60E, ALA62G, ALA63E, ALA64G, ALA66G, ALA68G, ALA69E, ALA6E, ALA71E, ALA71G, ALA75E, ALA79G, ALA83G, ALA86G, ALA90E, ALA92G, ALA94G, ALA96G, ALA98G, ARG100G, ARG106G, ARG170E, ARG173E, ARG32E, ARG36G, ARG45E, ARG47E, ARG47G, ARG50G, ARG54E, ARG58E, ARG59E, ARG72E, ARG74G, ARG76E, ARG76G, ARG78G, ARG84E, ARG85E, ARG86E, ARG87G, ARG88E, ARG89G, ARG91G, ASN165E, ASP108G, ASP172E, ASP176E, GLN10E, GLN17E, GLN184E, GLN21E, GLN32G, GLN43E, GLN52E, GLN72G, GLN74E, GLU101G, GLU102E, GLU109G, GLU110E, GLU117G, GLU11E, GLU13E, GLU15E, GLU22E, GLU24E, GLU28E, GLU30G, GLU33E, GLU35E, GLU36E, GLU38G, GLU43G, GLU45G, GLU46E, GLU46G, GLU50E, GLU52G, GLU54G, GLU5E, GLU60G, GLU61E, GLU61G, GLU63G, GLU65E, GLU70G, GLU75G, GLU77G, GLU78E, GLU80G, GLU82E, GLU82G, GLU89E, GLU90G, GLU92E, GLU93G, GLU95G, GLU99E, GLY188E, GLY64E, GLY77E, ILE16E, LEU107E, LEU107G, LEU113G, LEU115G, LEU119G, LEU167E, LEU168E, LEU186E, LEU19E, LEU20E, LEU26G, LEU33G, LEU34G, LEU37G, LEU41E, LEU42E, LEU49E, LEU57E, LEU58G, LEU59G, LEU66E, LEU67E, LEU69G, LEU80E, LEU84G, LEU85G, LEU8E, LEU91E, LEU94E, LYS102G, LYS106E, LYS116G, LYS181E, LYS26E, LYS29G, LYS31E, LYS37E, LYS39E, LYS41G, LYS42G, LYS49G, LYS56G, LYS65G, LYS67G, LYS97G, PRO120G, SER166E, SER179E, SER25G, SER62E, SER9E, THR70E, THR73E, THR81G, TRP100E, TRP175E, TRP187E, TYR53E, TYR73G, TYR88G, VAL103E, VAL111G, VAL114G, VAL118G, VAL12E, VAL182E, VAL30E, VAL48G, VAL68E, VAL79E, VAL83E, VAL87E, VAL99G
• G-B: ALA68B, ALA68G, ALA71B, ALA71G, ALA79B, ALA79G, ARG74B, ARG74G, ARG78B, ARG78G, ARG89B, ARG89G, GLN72B, GLU63B, GLU63G, GLU70B, GLU70G, GLU75B, GLU75G, GLU77B, GLU77G, GLU82B, GLU82G, LEU69B, LEU85B, LYS67B, LYS67G, THR81B, THR81G
• G-A: ARG45A, ARG89G, GLU82G
• E-B: ARG45E, ARG89B
• B-A: ALA103B, ALA105B, ALA110B, ALA112B, ALA14A, ALA169A, ALA174A, ALA177A, ALA183A, ALA185A, ALA18A, ALA23A, ALA25A, ALA27A, ALA29A, ALA34A, ALA38A, ALA39B, ALA40A, ALA40B, ALA44B, ALA48A, ALA51B, ALA53B, ALA55A, ALA55B, ALA56A, ALA57B, ALA60A, ALA62B, ALA63A, ALA64B, ALA66B, ALA68B, ALA69A, ALA6A, ALA71A, ALA71B, ALA75A, ALA79B, ALA83B, ALA90A, ALA92B, ALA94B, ALA96B, ALA98B, ARG100B, ARG106B, ARG170A, ARG173A, ARG32A, ARG36B, ARG45A, ARG47B, ARG50B, ARG54A, ARG59A, ARG72A, ARG74B, ARG76A, ARG76B, ARG78B, ARG84A, ARG85A, ARG86A, ARG87B, ARG88A, ARG89B, ARG91B, ASN165A, ASP108B, ASP172A, ASP176A, GLN10A, GLN17A, GLN184A, GLN21A, GLN32B, GLN43A, GLN52A, GLN72B, GLN74A, GLU101B, GLU109B, GLU110A, GLU117B, GLU11A, GLU13A, GLU15A, GLU22A, GLU24A, GLU28A, GLU30B, GLU33A, GLU35A, GLU35B, GLU36A, GLU38B, GLU43B, GLU45B, GLU46A, GLU46B, GLU50A, GLU52B, GLU54B, GLU5A, GLU60B, GLU61A, GLU61B, GLU63B, GLU65A, GLU70B, GLU75B, GLU77B, GLU78A, GLU80B, GLU82A, GLU82B, GLU89A, GLU90B, GLU92A, GLU93B, GLU95B, GLY188A, GLY64A, GLY77A, ILE16A, LEU107A, LEU107B, LEU113B, LEU115B, LEU119B, LEU167A, LEU168A, LEU186A, LEU19A, LEU20A, LEU26B, LEU33B, LEU34B, LEU37B, LEU41A, LEU42A, LEU49A, LEU57A, LEU58B, LEU59B, LEU66A, LEU67A, LEU69B, LEU80A, LEU84B, LEU85B, LEU8A, LEU91A, LEU94A, LYS102B, LYS106A, LYS116B, LYS181A, LYS26A, LYS29B, LYS31A, LYS37A, LYS39A, LYS41B, LYS42B, LYS49B, LYS56B, LYS65B, LYS67B, LYS97B, PRO120B, SER166A, SER179A, SER180A, SER25B, SER2A, SER62A, SER9A, THR70A, THR73A, THR81B, TRP175A, TRP187A, TYR53A, TYR73B, TYR88B, VAL103A, VAL111B, VAL114B, VAL118B, VAL12A, VAL182A, VAL30A, VAL48B, VAL68A, VAL79A, VAL83A, VAL87A, VAL99B