2PEK

crystal structure of rbcx point mutant q29a

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 162
  • Norm. En. per Res.: -5.1103
• Hub Node: C(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	-49.7796	-106.7026	-671.389	-827.8711	162	32	38	28938	6	53	37
A-D	0.0	5.6186	-45.6747	-40.056	29	0	1	2027	0	4	5
B-D	0.0	-17.6522	-53.4731	-71.1253	38	3	1	2717	0	7	5
C-D	-33.595	-101.5172	-624.814	-759.9262	156	28	31	27303	7	57	39
C-E	0.0	0.0	-2.549	-2.549	9	0	0	210	0	2	3
C-F	-46.7307	-26.9799	-88.3921	-162.1027	44	4	0	3559	4	10	12
D-F	0.0	0.0	-0.161	-0.161	3	0	0	31	0	1	0
E-F	-57.8074	-46.4555	-608.979	-713.2419	158	24	31	26195	2	54	34

Interface residues

• A-B: ALA11A, ALA11B, ALA22A, ALA22B, ALA59A, ALA59B, ALA79A, ALA79B, ALA7A, ALA7B, ARG102A, ARG102B, ARG103A, ARG103B, ARG108A, ARG108B, ARG24A, ARG24B, ARG70A, ARG70B, ARG75A, ARG75B, ASN100A, ASN100B, ASN64A, ASN64B, ASN77A, ASN77B, ASN98A, ASN98B, ASP54A, ASP54B, GLN111B, GLN15A, GLN15B, GLN21A, GLN21B, GLN28A, GLN93A, GLN93B, GLN96A, GLN96B, GLU107A, GLU107B, GLU2A, GLU58A, GLU58B, GLU63A, GLU63B, GLU66A, GLU66B, GLU76A, GLU76B, GLU80A, GLU80B, GLU84A, GLU84B, GLU88A, GLU88B, GLU9A, GLU9B, GLY81A, GLY81B, GLY99A, GLY99B, HIS101A, HIS101B, ILE12A, ILE12B, ILE71A, ILE71B, ILE94A, ILE94B, LEU105A, LEU105B, LEU106A, LEU106B, LEU109A, LEU109B, LEU14A, LEU14B, LEU18A, LEU18B, LEU25A, LEU25B, LEU55A, LEU55B, LEU57A, LEU57B, LEU62A, LEU62B, LEU67A, LEU67B, LEU69A, LEU69B, LEU72A, LEU72B, LEU78A, LEU78B, LEU83A, LEU83B, LEU86A, LEU86B, LEU91A, LEU91B, LYS4A, LYS4B, LYS5A, LYS5B, LYS65A, LYS65B, LYS8A, LYS8B, LYS95A, LYS95B, MET60A, MET60B, MET61A, MET61B, MET89A, MET89B, PHE3A, PHE3B, PHE85A, PHE85B, PRO87A, PRO87B, SER104A, SER104B, SER16A, SER16B, SER53A, SER53B, SER92A, SER92B, SER97A, SER97B, THR10A, THR10B, THR110B, THR13A, THR13B, THR19A, THR19B, THR73A, THR73B, TYR17A, TYR17B, TYR20A, TYR20B, TYR56A, TYR56B, VAL68A, VAL68B, VAL6A, VAL6B, VAL74A, VAL74B, VAL82A, VAL82B, VAL90A, VAL90B
• A-D: ALA38D, ARG70A, ASN34D, ASN64A, ASN77A, GLN28D, GLN37D, GLU32D, GLU43D, GLU66A, GLU76A, GLY36D, GLY42D, ILE39D, ILE71A, LEU30D, LEU67A, LEU69A, LEU72A, LYS65A, MET61A, PRO35D, SER27D, SER31D, THR33D, THR73A, TRP40D, VAL68A, VAL74A
• B-D: ALA29D, ALA38D, ARG102B, ARG103B, ARG108B, ARG24D, ARG47D, ASN98B, GLN111B, GLN28D, GLN37D, GLU107B, GLU32D, GLU43D, GLY36D, GLY42D, GLY99B, ILE26D, ILE39D, ILE50D, LEU105B, LEU106B, LEU109B, LEU25D, LEU30D, LEU41D, LYS46D, PHE44D, PRO35D, SER27D, SER31D, SER45D, THR110B, THR33D, TRP40D, TYR20D, TYR56D, VAL23D
• C-D: ALA11C, ALA11D, ALA22C, ALA22D, ALA59C, ALA59D, ALA79C, ALA79D, ALA7C, ALA7D, ARG102C, ARG102D, ARG103C, ARG103D, ARG108C, ARG108D, ARG24C, ARG24D, ARG70C, ARG70D, ARG75C, ARG75D, ASN100C, ASN100D, ASN64C, ASN64D, ASN77C, ASN77D, ASN98C, ASN98D, ASP54C, ASP54D, GLN15C, GLN15D, GLN21C, GLN21D, GLN28D, GLN93C, GLN93D, GLN96C, GLN96D, GLU2C, GLU2D, GLU52C, GLU58C, GLU58D, GLU66C, GLU66D, GLU76C, GLU76D, GLU80C, GLU80D, GLU84C, GLU84D, GLU88C, GLU88D, GLU9C, GLU9D, GLY81C, GLY81D, GLY99C, GLY99D, HIS101C, HIS101D, ILE12C, ILE12D, ILE71C, ILE71D, ILE94C, ILE94D, LEU105C, LEU105D, LEU106C, LEU106D, LEU109C, LEU109D, LEU14C, LEU14D, LEU18C, LEU18D, LEU25C, LEU25D, LEU55C, LEU55D, LEU57C, LEU57D, LEU62C, LEU62D, LEU69C, LEU69D, LEU72C, LEU72D, LEU78C, LEU78D, LEU83C, LEU83D, LEU86C, LEU86D, LEU91C, LEU91D, LYS4C, LYS4D, LYS5C, LYS5D, LYS65C, LYS65D, LYS8C, LYS8D, LYS95C, LYS95D, MET60C, MET60D, MET61C, MET61D, MET89C, MET89D, PHE3C, PHE3D, PHE85C, PHE85D, PRO87C, PRO87D, SER104C, SER104D, SER16C, SER16D, SER53C, SER53D, SER92C, SER92D, SER97C, SER97D, THR10C, THR10D, THR13C, THR13D, THR19C, THR19D, THR73C, THR73D, TYR17C, TYR17D, TYR20C, TYR20D, TYR56C, TYR56D, VAL68C, VAL68D, VAL6C, VAL6D, VAL74C, VAL74D, VAL82C, VAL82D, VAL90C, VAL90D
• C-E: ARG108E, ARG70C, GLU66C, LEU105E, LEU109E, LEU69C, LYS65C, THR33C, VAL112E
• C-F: ALA38C, ALA38F, ALA59C, ALA59F, ARG47C, ARG47F, ASN34C, ASN34F, ASN64C, ASN64F, GLN37C, GLN37F, GLU43C, GLU43F, GLU63C, GLU63F, GLU66C, GLU66F, GLY36C, GLY36F, HIS48C, HIS48F, ILE39C, ILE39F, LEU30C, LEU30F, LEU62C, LEU62F, LEU67C, LEU67F, LYS65C, LYS65F, MET60C, MET60F, MET61C, MET61F, PHE44C, PHE44F, PRO35C, PRO35F, THR33C, THR33F, TRP40C, TRP40F
• D-F: GLU66F, LEU105D, LEU109D
• E-F: ALA11E, ALA11F, ALA22E, ALA22F, ALA59E, ALA59F, ALA79E, ALA79F, ALA7E, ALA7F, ARG102E, ARG102F, ARG103E, ARG103F, ARG108E, ARG108F, ARG24E, ARG24F, ARG70E, ARG70F, ARG75E, ARG75F, ASN100E, ASN100F, ASN64E, ASN64F, ASN77E, ASN77F, ASN98E, ASN98F, ASP54E, ASP54F, GLN111E, GLN15E, GLN15F, GLN21E, GLN21F, GLN93E, GLN93F, GLN96E, GLN96F, GLU107E, GLU52E, GLU58E, GLU58F, GLU63F, GLU66E, GLU66F, GLU76E, GLU76F, GLU80E, GLU80F, GLU84E, GLU84F, GLU88E, GLU88F, GLU9E, GLU9F, GLY81E, GLY81F, GLY99E, GLY99F, HIS101E, HIS101F, ILE12E, ILE12F, ILE71E, ILE71F, ILE94E, ILE94F, LEU105E, LEU105F, LEU106E, LEU106F, LEU109E, LEU109F, LEU14E, LEU14F, LEU18E, LEU18F, LEU25E, LEU25F, LEU55E, LEU55F, LEU57E, LEU57F, LEU62E, LEU62F, LEU67F, LEU69E, LEU69F, LEU72E, LEU72F, LEU78E, LEU78F, LEU83E, LEU83F, LEU86E, LEU86F, LEU91E, LEU91F, LYS4E, LYS4F, LYS5E, LYS5F, LYS65E, LYS65F, LYS8E, LYS8F, LYS95E, LYS95F, MET60E, MET60F, MET61E, MET61F, MET89E, MET89F, PHE3E, PHE3F, PHE85E, PHE85F, PRO87E, PRO87F, SER104E, SER104F, SER16E, SER16F, SER53E, SER53F, SER92E, SER92F, SER97E, SER97F, THR10E, THR10F, THR110E, THR13E, THR13F, THR19E, THR19F, THR73E, THR73F, TYR17E, TYR17F, TYR20E, TYR20F, TYR56E, TYR56F, VAL68E, VAL68F, VAL6E, VAL6F, VAL74E, VAL74F, VAL82E, VAL82F, VAL90E, VAL90F