2GTC

crystal structure of the hypthetical protein from bacillus cereus (atcc 14579). northeast structural genomics target bcr11

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 129
  • Norm. En. per Res.: -3.0926
• 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	0.0	0.0	-0.0171	-0.0171	2	0	0	10	0	1	8
A-C	-59.4901	59.4187	-313.043	-313.1143	122	14	19	13292	4	37	39
A-D	-95.9921	71.0173	-342.508	-367.4828	127	18	16	13840	3	35	38
A-E	0.0	0.0	-0.0679	-0.0679	2	0	0	15	0	0	8
B-C	-73.268	57.6208	-343.785	-359.4322	130	23	16	14128	5	34	37
B-D	0.0	0.0	-0.0022	-0.0022	2	0	0	3	0	1	8
B-E	-66.2716	30.5123	-363.19	-398.9493	129	22	18	14679	2	36	35
D-E	-94.2657	33.9718	-311.918	-372.2119	122	17	18	12852	5	36	33

Interface residues

• A-B: SER7A, SER7B
• A-C: ALA100A, ALA25A, ALA29A, ALA37C, ALA47C, ALA57A, ALA61A, ALA95A, ARG102A, ARG33A, ARG33C, ARG40C, ARG46C, ARG58A, ARG58C, ARG88A, ARG88C, ASN22A, ASN30A, ASP19A, ASP34C, ASP41C, ASP59A, ASP59C, ASP63A, ASP81A, ASP81C, ASP83A, ASP83C, ASP89A, ASP89C, GLN10A, GLN10C, GLU13A, GLU16A, GLU24A, GLU51C, GLU56A, GLU64A, GLU67A, GLU85A, GLU85C, GLY11C, GLY23A, GLY28A, GLY44C, GLY45C, GLY48C, GLY79A, GLY79C, GLY8A, GLY8C, GLY90C, GLY98A, GLY98C, ILE103A, ILE14A, ILE15A, ILE18A, ILE20A, ILE26A, ILE2C, ILE31A, ILE60A, ILE77A, ILE77C, ILE9A, ILE9C, LEU35A, LEU35C, LEU54A, LEU54C, LEU68A, LEU92A, LEU92C, LYS12A, LYS12C, LYS53A, LYS55A, LYS55C, LYS66A, LYS66C, LYS72A, PHE36C, SER38C, SER49C, SER52A, SER7A, SER7C, SER97A, SER97C, THR4A, THR4C, THR5C, THR6A, THR6C, THR99A, TYR17A, TYR50C, TYR84A, TYR84C, VAL101A, VAL21A, VAL32A, VAL32C, VAL39C, VAL3C, VAL42C, VAL43C, VAL78A, VAL78C, VAL80A, VAL80C, VAL82A, VAL82C, VAL86A, VAL86C, VAL87A, VAL94A, VAL94C, VAL96A, VAL96C
• A-D: ALA100D, ALA25D, ALA29A, ALA29D, ALA37A, ALA47A, ALA57D, ALA61D, ALA95D, ARG33A, ARG33D, ARG40A, ARG46A, ARG58A, ARG58D, ARG88D, ASN22D, ASN30D, ASP19D, ASP34A, ASP34D, ASP41A, ASP59A, ASP59D, ASP63D, ASP81A, ASP81D, ASP83A, ASP83D, ASP89A, ASP89D, GLN10A, GLN10D, GLN71D, GLU13D, GLU16D, GLU24D, GLU51A, GLU56D, GLU64D, GLU67D, GLU85A, GLU85D, GLY11A, GLY11D, GLY23D, GLY28D, GLY44A, GLY45A, GLY48A, GLY79A, GLY79D, GLY8A, GLY8D, GLY90A, GLY98A, GLY98D, ILE103A, ILE103D, ILE14D, ILE15D, ILE18D, ILE20D, ILE26D, ILE2A, ILE31D, ILE60D, ILE77A, ILE77D, ILE9A, ILE9D, LEU35A, LEU35D, LEU54A, LEU54D, LEU68D, LEU92A, LEU92D, LYS12A, LYS12D, LYS53D, LYS55A, LYS55D, LYS66A, LYS66D, LYS70D, LYS72D, PHE36A, PHE36D, SER38A, SER52A, SER52D, SER7A, SER7D, SER97A, SER97D, THR4A, THR4D, THR5A, THR5D, THR6A, THR6D, THR99D, TYR17D, TYR50A, TYR84A, TYR84D, VAL101D, VAL21D, VAL32A, VAL32D, VAL39A, VAL3A, VAL42A, VAL43A, VAL78A, VAL78D, VAL80A, VAL80D, VAL82A, VAL86A, VAL86D, VAL87D, VAL94A, VAL94D, VAL96A, VAL96D
• A-E: SER7A, SER7E
• B-C: ALA100C, ALA25C, ALA29B, ALA29C, ALA37B, ALA47B, ALA57C, ALA61C, ALA95C, ARG102C, ARG33B, ARG33C, ARG40B, ARG46B, ARG58B, ARG58C, ARG88B, ARG88C, ASN22C, ASN30B, ASN30C, ASP19C, ASP34B, ASP34C, ASP41B, ASP59B, ASP59C, ASP63C, ASP81B, ASP81C, ASP83B, ASP83C, ASP89B, ASP89C, GLN10B, GLN10C, GLN71C, GLU13C, GLU16C, GLU24C, GLU51B, GLU56C, GLU64C, GLU67C, GLU85B, GLU85C, GLY11B, GLY11C, GLY23C, GLY28C, GLY44B, GLY45B, GLY48B, GLY79B, GLY79C, GLY8B, GLY8C, GLY90B, GLY90C, GLY98B, GLY98C, ILE103C, ILE14C, ILE15C, ILE18C, ILE20C, ILE26C, ILE2B, ILE31B, ILE31C, ILE60C, ILE77B, ILE77C, ILE9B, ILE9C, LEU35B, LEU54B, LEU54C, LEU68C, LEU92B, LEU92C, LYS12B, LYS12C, LYS53C, LYS55B, LYS55C, LYS66B, LYS66C, LYS70C, LYS72C, PHE36B, SER38B, SER49B, SER52B, SER52C, SER7B, SER7C, SER97B, SER97C, THR4B, THR4C, THR5B, THR5C, THR6B, THR6C, THR99C, TYR17C, TYR50B, TYR84B, TYR84C, VAL101C, VAL21C, VAL32B, VAL32C, VAL39B, VAL3B, VAL42B, VAL43B, VAL78B, VAL78C, VAL80B, VAL80C, VAL82B, VAL86B, VAL86C, VAL87C, VAL94B, VAL94C, VAL96B, VAL96C
• B-D: SER7B, SER7D
• B-E: ALA100B, ALA25B, ALA29B, ALA29E, ALA37E, ALA47E, ALA57B, ALA61B, ALA76E, ALA95B, ARG33B, ARG33E, ARG40E, ARG46E, ARG58B, ARG58E, ARG88B, ARG88E, ASN22B, ASN30B, ASP19B, ASP34E, ASP41E, ASP59B, ASP59E, ASP63B, ASP81B, ASP81E, ASP83B, ASP83E, ASP89B, ASP89E, GLN10B, GLN10E, GLU13B, GLU16B, GLU24B, GLU51E, GLU56B, GLU64B, GLU67B, GLU85B, GLU85E, GLY11B, GLY11E, GLY23B, GLY28B, GLY44E, GLY45E, GLY48E, GLY79B, GLY79E, GLY8B, GLY8E, GLY90B, GLY90E, GLY98B, GLY98E, ILE103B, ILE103E, ILE14B, ILE15B, ILE18B, ILE20B, ILE26B, ILE2E, ILE31B, ILE31E, ILE60B, ILE77B, ILE77E, ILE9B, ILE9E, LEU35B, LEU35E, LEU54B, LEU54E, LEU68B, LEU92B, LEU92E, LYS12B, LYS12E, LYS53B, LYS55B, LYS55E, LYS66B, LYS66E, LYS72B, PHE36E, SER38E, SER49E, SER52B, SER52E, SER7B, SER7E, SER97B, SER97E, THR4B, THR4E, THR5B, THR5E, THR6B, THR6E, THR99B, TYR17B, TYR50E, TYR84B, TYR84E, VAL101B, VAL21B, VAL32B, VAL32E, VAL39E, VAL3E, VAL42E, VAL43E, VAL78B, VAL78E, VAL80B, VAL80E, VAL82E, VAL86B, VAL86E, VAL87B, VAL87E, VAL94B, VAL94E, VAL96B, VAL96E
• D-E: ALA100E, ALA25E, ALA29E, ALA37D, ALA47D, ALA57E, ALA61E, ALA95E, ARG33D, ARG40D, ARG46D, ARG58D, ARG58E, ARG88D, ARG88E, ASN22E, ASN30E, ASP19E, ASP41D, ASP59D, ASP59E, ASP63E, ASP81D, ASP81E, ASP83D, ASP83E, ASP89D, ASP89E, GLN10D, GLN10E, GLN71E, GLU13E, GLU16E, GLU24E, GLU51D, GLU56E, GLU64E, GLU67E, GLU85D, GLU85E, GLY11D, GLY11E, GLY23E, GLY28E, GLY44D, GLY45D, GLY48D, GLY79D, GLY79E, GLY8D, GLY8E, GLY90D, GLY90E, GLY98D, GLY98E, ILE103E, ILE14E, ILE15E, ILE18E, ILE20E, ILE26E, ILE2D, ILE31E, ILE60E, ILE77D, ILE77E, ILE9D, ILE9E, LEU35D, LEU35E, LEU54D, LEU54E, LEU68E, LEU92D, LEU92E, LYS12D, LYS12E, LYS53E, LYS55D, LYS55E, LYS66D, LYS70E, LYS72E, PHE36D, PHE36E, SER38D, SER52E, SER7D, SER7E, SER97D, SER97E, THR4D, THR4E, THR5D, THR5E, THR6D, THR6E, THR99E, TYR17E, TYR50D, TYR84D, TYR84E, VAL101E, VAL21E, VAL32D, VAL32E, VAL39D, VAL3D, VAL42D, VAL43D, VAL78D, VAL78E, VAL80D, VAL80E, VAL82D, VAL86D, VAL86E, VAL87E, VAL94D, VAL94E, VAL96D, VAL96E