1P8C

crystal structure of tm1620 (apc4843) from thermotoga maritima

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 80
  • Norm. En. per Res.: -4.4322
• Hub Node: A(5)

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	-20.1387	-67.0004	-208.69	-295.8291	83	16	6	9369	6	34	27
A-C	-35.0469	0.0	-73.0242	-108.0711	28	5	2	2317	0	0	0
A-D	-56.0412	-51.5522	-310.601	-418.1944	111	24	23	14408	2	40	23
A-E	-16.449	-68.2104	-188.733	-273.3924	76	7	5	8163	2	32	25
A-F	0.0	6.3994	-58.4383	-52.0389	37	4	2	2872	0	2	8
B-C	-41.5186	-63.2414	-316.764	-421.524	112	22	24	14495	3	42	24
B-D	0.0	2.5309	-59.6273	-57.0964	39	1	3	2767	0	2	8
B-E	-18.0791	-63.0725	-234.241	-315.3926	84	11	6	9361	5	35	27
B-F	-40.929	0.0	-73.2581	-114.1871	29	12	2	2310	0	0	0
C-D	-21.8849	-96.3625	-236.332	-354.5794	80	17	5	9533	7	33	29
C-E	0.0	2.4345	-55.3616	-52.9271	38	0	3	2518	0	2	8
C-F	-27.1765	-34.4231	-220.479	-282.0786	79	22	6	9695	4	33	27
D-E	-21.8054	0.0	-75.1804	-96.9858	29	4	2	2316	0	0	0
D-F	-26.0188	-57.4841	-215.225	-298.7279	82	18	6	9257	6	32	27
E-F	-37.0521	-56.7672	-315.429	-409.2483	113	23	23	14381	2	39	24

Interface residues

• A-B: ALA102A, ALA53B, ALA87A, ALA9B, ARG100A, ARG101A, ARG10B, ARG110A, ARG11B, ARG20B, ARG27B, ARG58A, ARG58B, ARG64B, ASN14B, ASN24B, ASN30B, ASP32B, ASP60A, ASP60B, ASP61B, ASP77A, ASP85A, CYS59B, CYS62B, GLU107A, GLU108A, GLU111A, GLU12B, GLU15B, GLU78A, GLU82A, GLU8B, GLY104A, GLY21B, GLY50B, GLY91A, GLY92A, HIS66B, HIS98A, HIS98B, ILE63B, ILE80A, ILE86A, ILE94A, ILE96A, LEU106A, LEU109A, LEU13B, LEU18B, LEU23B, LEU31B, LEU57B, LEU67A, LEU84A, LEU88A, LEU99A, LYS16B, LYS26B, PHE105A, PHE28B, PHE29B, PHE6B, PHE81A, PRO97A, SER19B, SER33B, SER54B, SER93A, THR22B, THR25B, THR55B, TYR36B, TYR65B, VAL103A, VAL17B, VAL35B, VAL56B, VAL71A, VAL7B, VAL89A, VAL90A, VAL95A
• A-C: ALA87A, ALA87C, ARG58A, ARG58C, GLY91A, GLY91C, GLY92A, GLY92C, ILE86A, ILE86C, ILE94A, ILE94C, ILE96A, ILE96C, LEU57A, LEU57C, LEU88A, LEU88C, SER93A, SER93C, VAL56A, VAL56C, VAL89A, VAL89C, VAL90A, VAL90C, VAL95A, VAL95C
• A-D: ALA34A, ALA34D, ALA53A, ALA53D, ALA75A, ALA75D, ALA83A, ALA83D, ALA87A, ALA87D, ARG37A, ARG37D, ARG58A, ARG58D, ASN30A, ASN30D, ASP32A, ASP32D, ASP42A, ASP42D, ASP77A, ASP77D, ASP85A, ASP85D, CYS59A, CYS59D, CYS62A, CYS62D, CYS70D, GLU47A, GLU47D, GLU78A, GLU78D, GLU79A, GLU79D, GLU82A, GLU82D, GLY39A, GLY39D, GLY50A, GLY50D, GLY91A, GLY91D, GLY92A, GLY92D, HIS66A, HIS66D, ILE80A, ILE80D, ILE86A, ILE86D, ILE94A, ILE94D, LEU31A, LEU31D, LEU41A, LEU41D, LEU48A, LEU48D, LEU51A, LEU51D, LEU57A, LEU57D, LEU84A, LEU84D, LEU88A, LEU88D, LYS40A, LYS40D, LYS44A, LYS44D, LYS46A, LYS46D, MET49A, MET49D, PHE28A, PHE28D, PHE29A, PHE29D, PHE81A, PHE81D, PRO38A, PRO38D, SER33A, SER33D, SER54A, SER54D, SER76A, SER76D, SER93A, SER93D, THR45A, THR45D, THR55A, THR55D, TYR36A, TYR36D, VAL35A, VAL35D, VAL43A, VAL43D, VAL52A, VAL52D, VAL56A, VAL56D, VAL89A, VAL89D, VAL90A, VAL90D, VAL95A, VAL95D
• A-E: ALA102E, ALA53A, ARG100E, ARG101E, ARG10A, ARG10A5, ARG110E, ARG11A, ARG20A, ARG27A, ARG58A, ARG58E, ARG64A, ASN14A, ASN24A, ASN30A, ASP32A, ASP60A, ASP61A, ASP77E, ASP85E, CB7.2386310.56343, CYS59A, CYS62A, GLU107E, GLU108E, GLU111E, GLU12A, GLU15A, GLU78E, GLU82E, GLY104E, GLY21A, GLY50A, GLY91E, GLY92E, HIS66A, HIS98A, HIS98E, ILE63A, ILE86E, ILE94E, ILE96E, LEU106E, LEU13A, LEU18A, LEU23A, LEU31A, LEU57A, LEU84E, LEU88E, LEU99E, LYS114E, LYS16A, LYS26A, PHE105E, PHE28A, PHE29A, PHE81E, PRO97E, SER19A, SER33A, SER54A, SER93E, THR22A, THR25A, THR55A, TYR36A, TYR65A, VAL103E, VAL17A, VAL35A, VAL56A, VAL89E, VAL90E, VAL95E
• A-F: ALA34A, ALA34F, ARG27A, ARG27F, ARG37A, ARG37F, ASN24A, ASN24F, ASN30A, ASN30F, ASP32A, ASP32F, GLY39A, LEU23A, LEU23F, LEU31A, LEU31F, LEU57A, LEU57F, LYS26A, LYS26F, LYS46A, LYS46F, PHE28A, PHE28F, PHE29A, PHE29F, SER33A, SER33F, THR22A, THR22F, THR25A, THR25F, TYR36A, TYR36F, VAL35A, VAL35F
• B-C: ALA34B, ALA34C, ALA53B, ALA53C, ALA75B, ALA75C, ALA83B, ALA83C, ALA87B, ALA87C, ARG37B, ARG37C, ARG58B, ARG58C, ASN30B, ASN30C, ASP32B, ASP32C, ASP42B, ASP42C, ASP77B, ASP77C, ASP85B, ASP85C, CYS59B, CYS59C, CYS62B, CYS62C, CYS70B, GLU47B, GLU47C, GLU78B, GLU78C, GLU79B, GLU79C, GLU82B, GLU82C, GLY39B, GLY39C, GLY50B, GLY50C, GLY74C, GLY91B, GLY91C, GLY92B, GLY92C, HIS66B, HIS66C, ILE80B, ILE80C, ILE86B, ILE86C, ILE94B, ILE94C, LEU31B, LEU31C, LEU41B, LEU41C, LEU48B, LEU48C, LEU51B, LEU51C, LEU57B, LEU57C, LEU84B, LEU84C, LEU88B, LEU88C, LYS40B, LYS40C, LYS44B, LYS44C, LYS46B, LYS46C, MET49B, MET49C, PHE28B, PHE28C, PHE29B, PHE29C, PHE81B, PHE81C, PRO38B, PRO38C, SER33B, SER33C, SER54B, SER54C, SER76B, SER76C, SER93B, SER93C, THR45B, THR45C, THR55B, THR55C, TYR36B, TYR36C, VAL35B, VAL35C, VAL43B, VAL43C, VAL52B, VAL52C, VAL56B, VAL56C, VAL89B, VAL89C, VAL90B, VAL90C, VAL95B, VAL95C
• B-D: ALA34B, ALA34D, ARG27B, ARG27D, ARG37B, ARG37D, ASN24B, ASN24D, ASN30B, ASN30D, ASP32B, ASP32D, GLY39B, GLY39D, LEU23B, LEU23D, LEU31B, LEU31D, LEU57B, LEU57D, LYS26B, LYS26D, LYS40D, LYS46B, LYS46D, PHE28B, PHE28D, PHE29B, PHE29D, SER33B, SER33D, THR22B, THR22D, THR25B, THR25D, TYR36B, TYR36D, VAL35B, VAL35D
• B-E: ALA102B, ALA53E, ALA83B, ALA87B, ALA9E, ARG100B, ARG101B, ARG10E, ARG110B, ARG11E, ARG20E, ARG27E, ARG58B, ARG58E, ARG64E, ASN14E, ASN24E, ASN30E, ASP32E, ASP60E, ASP61E, ASP77B, ASP85B, CYS59E, CYS62E, GLU107B, GLU108B, GLU111B, GLU12E, GLU15E, GLU78B, GLU82B, GLU8E, GLY104B, GLY21E, GLY50E, GLY91B, GLY92B, HIS66E, HIS98B, HIS98E, ILE63E, ILE80B, ILE86B, ILE94B, ILE96B, LEU106B, LEU109B, LEU13E, LEU18E, LEU23E, LEU31E, LEU57E, LEU67B, LEU84B, LEU88B, LEU99B, LYS114B, LYS16E, LYS26E, PHE105B, PHE28E, PHE29E, PHE6E, PHE81B, PRO97B, SER19E, SER33E, SER54E, SER93B, THR22E, THR25E, THR55E, TYR36E, TYR65E, VAL103B, VAL17E, VAL35E, VAL56E, VAL71B, VAL7E, VAL89B, VAL90B, VAL95B
• B-F: ALA87B, ALA87F, ARG58B, ARG58F, GLY91B, GLY91F, GLY92B, GLY92F, ILE86B, ILE86F, ILE94B, ILE94F, ILE96B, ILE96F, LEU57B, LEU57F, LEU88B, LEU88F, PRO97F, SER93B, SER93F, VAL56B, VAL56F, VAL89B, VAL89F, VAL90B, VAL90F, VAL95B, VAL95F
• C-D: ALA102C, ALA53D, ALA83C, ALA87C, ALA9D, ARG100C, ARG101C, ARG10D, ARG110C, ARG11D, ARG20D, ARG27D, ARG58C, ARG58D, ARG64D, ASN14D, ASN24D, ASN30D, ASP32D, ASP60D, ASP61D, ASP77C, ASP85C, CYS59D, CYS62D, GLU107C, GLU108C, GLU111C, GLU12D, GLU15D, GLU78C, GLU82C, GLY104C, GLY21D, GLY50D, GLY91C, GLY92C, HIS66D, HIS98C, HIS98D, ILE63D, ILE80C, ILE86C, ILE94C, ILE96C, LEU106C, LEU109C, LEU13D, LEU18D, LEU23D, LEU31D, LEU57D, LEU67C, LEU84C, LEU88C, LEU99C, LYS16D, LYS26D, PHE105C, PHE28D, PHE29D, PHE6D, PHE81C, PRO97C, SER19D, SER33D, SER54D, SER93C, THR22D, THR25D, THR55D, TYR36D, TYR65D, VAL103C, VAL17D, VAL35D, VAL56D, VAL89C, VAL90C, VAL95C
• C-E: ALA34C, ALA34E, ARG27C, ARG27E, ARG37C, ARG37E, ASN24C, ASN24E, ASN30C, ASN30E, ASP32C, ASP32E, GLY39C, LEU23C, LEU23E, LEU31C, LEU31E, LEU57C, LEU57E, LYS26C, LYS26E, LYS40C, LYS46C, LYS46E, PHE28C, PHE28E, PHE29C, PHE29E, SER33C, SER33E, THR22C, THR22E, THR25C, THR25E, TYR36C, TYR36E, VAL35C, VAL35E
• C-F: ALA102F, ALA53C, ALA87F, ALA9C, ARG100F, ARG101F, ARG10C, ARG110F, ARG11C, ARG20C, ARG27C, ARG58C, ARG58F, ARG64C, ASN14C, ASN24C, ASN30C, ASP32C, ASP60C, ASP61C, ASP77F, ASP85F, CYS59C, CYS62C, GLU107F, GLU108F, GLU111F, GLU12C, GLU15C, GLU78F, GLU82F, GLY104F, GLY21C, GLY50C, GLY91F, GLY92F, HIS66C, HIS98C, HIS98F, ILE63C, ILE80F, ILE86F, ILE94F, ILE96F, LEU106F, LEU109F, LEU13C, LEU18C, LEU23C, LEU31C, LEU57C, LEU67F, LEU84F, LEU88F, LEU99F, LYS16C, LYS26C, PHE105F, PHE28C, PHE29C, PHE6C, PHE81F, PRO97F, SER19C, SER33C, SER54C, SER93F, THR22C, THR25C, THR55C, TYR36C, TYR65C, VAL103F, VAL17C, VAL35C, VAL56C, VAL89F, VAL90F, VAL95F
• D-E: ALA87D, ALA87E, ARG58D, ARG58E, ASP85E, GLY91D, GLY91E, GLY92D, GLY92E, ILE86D, ILE86E, ILE94D, ILE94E, ILE96D, ILE96E, LEU57D, LEU57E, LEU88D, LEU88E, SER93D, SER93E, VAL56D, VAL56E, VAL89D, VAL89E, VAL90D, VAL90E, VAL95D, VAL95E
• D-F: ALA102D, ALA53F, ALA83D, ALA87D, ALA9F, ARG100D, ARG101D, ARG10F, ARG110D, ARG11F, ARG20F, ARG27F, ARG58D, ARG58F, ARG64F, ASN14F, ASN24F, ASN30F, ASP32F, ASP60F, ASP61F, ASP77D, ASP85D, CYS59F, CYS62F, GLU107D, GLU108D, GLU111D, GLU12F, GLU15F, GLU78D, GLU82D, GLY104D, GLY21F, GLY50F, GLY91D, GLY92D, HIS66F, HIS98D, HIS98F, ILE63F, ILE80D, ILE86D, ILE94D, ILE96D, LEU106D, LEU109D, LEU13F, LEU18F, LEU23F, LEU31F, LEU57F, LEU67D, LEU84D, LEU88D, LEU99D, LYS16F, LYS26F, PHE105D, PHE28F, PHE29F, PHE6F, PHE81D, PRO97D, SER19F, SER33F, SER54F, SER93D, THR22F, THR25F, THR55F, TYR36F, TYR65F, VAL103D, VAL17F, VAL35F, VAL56F, VAL71D, VAL7F, VAL89D, VAL90D, VAL95D
• E-F: ALA34E, ALA34F, ALA53E, ALA53F, ALA75E, ALA75F, ALA83E, ALA83F, ALA87E, ALA87F, ARG27E, ARG37E, ARG37F, ARG58E, ARG58F, ASN30E, ASN30F, ASP32E, ASP32F, ASP42E, ASP42F, ASP77E, ASP77F, ASP85E, ASP85F, CYS59E, CYS59F, CYS62E, CYS62F, CYS70F, GLU47E, GLU47F, GLU78E, GLU78F, GLU79E, GLU79F, GLU82E, GLU82F, GLY39E, GLY39F, GLY50E, GLY50F, GLY74E, GLY91E, GLY91F, GLY92E, GLY92F, HIS66E, HIS66F, ILE80E, ILE80F, ILE86E, ILE86F, ILE94E, ILE94F, LEU31E, LEU31F, LEU41E, LEU41F, LEU48E, LEU48F, LEU51E, LEU51F, LEU57E, LEU57F, LEU84E, LEU84F, LEU88E, LEU88F, LYS40E, LYS40F, LYS44E, LYS44F, LYS46E, LYS46F, MET49E, MET49F, PHE28E, PHE28F, PHE29E, PHE29F, PHE81E, PHE81F, PRO38E, PRO38F, SER33E, SER33F, SER54E, SER54F, SER76E, SER76F, SER93E, SER93F, THR45E, THR45F, THR55E, THR55F, TYR36E, TYR36F, VAL35E, VAL35F, VAL43E, VAL43F, VAL52E, VAL52F, VAL56E, VAL56F, VAL89E, VAL89F, VAL90E, VAL90F, VAL95E, VAL95F