2V1O

crystal structure of n-terminal domain of acyl-coa thioesterase 7

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 118
  • Norm. En. per Res.: -4.3899
• 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	-12.9902	5.9067	-41.7632	-48.8468	28	1	1	1662	1	9	8
A-C	-40.617	-68.8513	-207.884	-317.3524	92	8	7	9127	4	19	22
A-D	-89.7122	-90.7961	-287.193	-467.7013	123	16	14	12536	4	42	50
A-E	-10.9599	28.6367	-42.0486	-24.3718	29	4	1	1741	0	8	8
B-C	-98.7364	-104.259	-296.017	-499.0124	121	15	15	12680	7	47	52
B-E	-10.6984	4.1307	-42.7763	-49.344	27	1	1	1586	2	8	8
B-F	-26.8173	-65.407	-195.706	-287.9303	94	3	7	8995	5	20	22
C-D	-13.1957	-0.9272	-39.5146	-53.6375	25	2	1	1511	1	9	8
C-F	-10.1499	28.7889	-43.4902	-24.8512	29	4	1	1741	0	8	9
D-E	-34.5915	-69.2193	-192.143	-295.9539	95	6	7	8969	5	21	22
D-F	-11.2624	16.3591	-42.2672	-37.1705	27	1	1	1615	0	8	8
E-F	-131.3729	-103.0222	-283.619	-518.0141	118	17	11	12357	5	50	53

Interface residues

• A-B: ALA23A, ALA23B, ARG16A, ARG16B, ARG19A, ARG19B, ASN104A, ASN24B, ASP21A, ASP21B, ASP22A, ASP22B, CYS75A, GLU78A, GLY27B, GLY77A, HIS30B, ILE105A, ILE17A, ILE76A, ILE76B, LEU106A, LYS36B, MET18A, PRO20A, PRO20B, THR33B, VAL25B
• A-C: ALA14A, ALA14C, ALA41A, ALA41C, ALA43A, ALA43C, ALA60A, ALA60C, ALA80A, ALA80C, ALA84A, ALA84C, ARG16A, ARG16C, ARG19A, ARG19C, ARG48A, ARG48C, ARG57A, ARG57C, ASN104A, ASN104C, ASN51A, ASN51C, ASN54A, ASN54C, CYS50A, CYS50C, CYS58A, CYS58C, GLN53A, GLN53C, GLU103A, GLU103C, GLU40A, GLU40C, GLU56A, GLU56C, GLU78A, GLU78C, GLY108A, GLY108C, GLY13A, GLY13C, GLY55A, GLY55C, GLY77A, GLY77C, HIS49A, HIS49C, HIS81A, HIS81C, ILE105A, ILE105C, ILE17A, ILE17C, ILE44A, ILE44C, ILE45A, ILE45C, LEU106A, LEU106C, LEU125A, LEU125C, LYS110A, LYS110C, LYS36A, LYS36C, MET101A, MET101C, MET15A, MET15C, MET18A, MET18C, SER46A, SER46C, SER52A, SER52C, SER83A, SER83C, THR107A, THR107C, THR109A, THR109C, THR47A, THR47C, VAL59A, VAL59C, VAL79A, VAL79C, VAL82A, VAL82C
• A-D: ALA116A, ALA116D, ALA154A, ALA23A, ALA23D, ALA26A, ALA26D, ALA43A, ALA43D, ALA60A, ALA60D, ALA61A, ALA61D, ALA63A, ALA63D, ARG151A, ARG159A, ARG159D, ARG16A, ARG16D, ARG57A, ARG57D, ARG64A, ARG64D, ARG67A, ARG67D, ASN114A, ASN114D, ASN127D, ASN24A, ASN24D, ASN28A, ASN28D, ASN51A, ASN51D, ASP129A, ASP129D, ASP21A, ASP21D, ASP22A, ASP22D, ASP69A, ASP69D, CYS58A, CYS58D, CYS75A, GLN155A, GLN155D, GLU158A, GLU158D, GLU161D, GLU39A, GLU39D, GLU40A, GLU40D, GLU66A, GLU66D, GLY27A, GLY27D, GLY31A, GLY31D, GLY32A, GLY32D, HIS30A, HIS30D, ILE34A, ILE34D, ILE38A, ILE38D, ILE44A, ILE44D, LEU112A, LEU118A, LEU118D, LEU123A, LEU123D, LEU125A, LEU125D, LEU35A, LEU35D, LEU62A, LEU62D, LEU71A, LEU71D, LYS111D, LYS115A, LYS126A, LYS126D, LYS36A, LYS36D, MET37A, MET37D, MET74A, PHE70A, PHE70D, PRO73A, PRO73D, SER124A, SER124D, SER72A, SER72D, THR117A, THR117D, THR33A, THR33D, THR47A, THR47D, THR68A, THR68D, TRP119A, TRP119D, TYR120A, TYR120D, VAL128A, VAL128D, VAL25A, VAL25D, VAL29A, VAL29D, VAL59A, VAL59D, VAL65A, VAL65D
• A-E: ALA23A, ALA23E, ALA26A, ARG16E, ARG19A, ARG19E, ASN24A, ASN28A, ASP21A, ASP21E, ASP22A, ASP22E, CYS75E, GLU78E, GLY27A, GLY32A, GLY77E, HIS30A, ILE105E, ILE17E, ILE76A, ILE76E, LEU106E, MET18E, PRO20A, PRO20E, THR33A, VAL25A, VAL29A
• B-C: ALA116B, ALA116C, ALA154B, ALA23B, ALA23C, ALA26B, ALA26C, ALA43B, ALA43C, ALA60B, ALA60C, ALA61B, ALA61C, ALA63B, ALA63C, ARG151B, ARG159B, ARG159C, ARG16B, ARG16C, ARG57B, ARG64B, ARG64C, ARG67B, ARG67C, ASN114B, ASN114C, ASN24B, ASN24C, ASN28B, ASN28C, ASN51B, ASN51C, ASP129B, ASP129C, ASP21B, ASP21C, ASP22B, ASP22C, ASP69B, ASP69C, CYS58B, CYS58C, CYS75B, CYS75C, GLN155B, GLN155C, GLU158B, GLU158C, GLU161B, GLU161C, GLU39B, GLU39C, GLU40B, GLU40C, GLU66B, GLU66C, GLY27B, GLY27C, GLY31B, GLY31C, GLY32B, GLY32C, HIS30B, HIS30C, ILE34B, ILE34C, ILE38B, ILE38C, ILE44B, ILE44C, LEU118B, LEU118C, LEU123B, LEU123C, LEU125B, LEU125C, LEU35B, LEU35C, LEU62B, LEU62C, LEU71B, LEU71C, LYS111B, LYS126B, LYS126C, LYS36B, LYS36C, MET37B, MET37C, MET74C, PHE70B, PHE70C, PRO73B, PRO73C, SER124B, SER124C, SER72B, SER72C, THR117B, THR117C, THR33B, THR33C, THR47B, THR47C, THR68B, THR68C, TRP119B, TRP119C, TYR120B, TYR120C, VAL128B, VAL128C, VAL25B, VAL25C, VAL29B, VAL29C, VAL59B, VAL59C, VAL65B, VAL65C
• B-E: ALA23B, ALA23E, ALA26E, ARG16B, ARG19B, ARG19E, ASN104B, ASN24E, ASP21B, ASP21E, ASP22B, ASP22E, CYS75B, GLU78B, GLY27E, GLY77B, HIS30E, ILE105B, ILE17B, ILE76B, ILE76E, LEU106B, MET18B, PRO20B, PRO20E, THR33E, VAL25E
• B-F: ALA14B, ALA14F, ALA41B, ALA41F, ALA43B, ALA43F, ALA60B, ALA60F, ALA80B, ALA80F, ALA84B, ALA84F, ARG16B, ARG16F, ARG19B, ARG19F, ARG48B, ARG48F, ARG57B, ARG57F, ASN104B, ASN104F, ASN51B, ASN51F, ASN54B, ASN54F, CYS50B, CYS50F, CYS58B, CYS58F, GLN53B, GLU103B, GLU103F, GLU39B, GLU39F, GLU40B, GLU40F, GLU56B, GLU56F, GLU78B, GLU78F, GLY108B, GLY108F, GLY42F, GLY55B, GLY55F, GLY77B, GLY77F, HIS49B, HIS49F, HIS81B, HIS81F, ILE105B, ILE105F, ILE17B, ILE17F, ILE44B, ILE44F, ILE45B, ILE45F, LEU106B, LEU106F, LEU125B, LEU125F, LYS110B, LYS110F, LYS36B, LYS36F, MET101B, MET101F, MET15B, MET15F, MET18B, MET18F, MET37B, MET37F, SER46B, SER46F, SER52B, SER52F, SER83B, SER83F, THR107B, THR107F, THR109B, THR109F, THR47B, THR47F, VAL59B, VAL59F, VAL79B, VAL79F, VAL82B, VAL82F
• C-D: ALA23C, ALA23D, ARG16C, ARG19C, ARG19D, ASN24D, ASP21C, ASP21D, ASP22C, ASP22D, CYS75C, GLU78C, GLY27D, GLY77C, HIS30D, ILE105C, ILE17C, ILE76C, ILE76D, LEU106C, MET18C, PRO20C, PRO20D, THR33D, VAL25D
• C-F: ALA23C, ALA23F, ALA26C, ARG16F, ARG19C, ARG19F, ASN104F, ASN24C, ASN28C, ASP21C, ASP21F, ASP22C, ASP22F, CYS75F, GLU78F, GLY32C, GLY77F, HIS30C, ILE105F, ILE17F, ILE76C, ILE76F, LEU106F, MET18F, PRO20C, PRO20F, THR33C, VAL25C, VAL29C
• D-E: ALA14D, ALA14E, ALA41D, ALA41E, ALA43D, ALA43E, ALA60D, ALA60E, ALA80D, ALA80E, ALA84D, ALA84E, ARG16D, ARG16E, ARG19D, ARG19E, ARG48D, ARG48E, ARG57D, ARG57E, ASN104D, ASN104E, ASN51D, ASN51E, ASN54D, ASN54E, CYS50D, CYS50E, CYS58D, CYS58E, GLN53D, GLN53E, GLU103D, GLU103E, GLU39D, GLU39E, GLU40D, GLU40E, GLU56D, GLU56E, GLU78D, GLU78E, GLY108D, GLY108E, GLY42E, GLY55D, GLY55E, GLY77D, GLY77E, HIS49D, HIS49E, HIS81D, HIS81E, ILE105D, ILE105E, ILE17D, ILE17E, ILE44D, ILE44E, ILE45D, ILE45E, LEU106D, LEU106E, LEU123E, LEU125D, LEU125E, LYS110D, LYS110E, LYS36D, LYS36E, MET101D, MET101E, MET15D, MET15E, MET18D, MET18E, MET37D, SER46D, SER46E, SER52D, SER52E, SER83D, SER83E, THR107D, THR107E, THR109D, THR109E, THR47D, THR47E, VAL59D, VAL59E, VAL79D, VAL79E, VAL82D, VAL82E
• D-F: ALA23D, ALA23F, ALA26F, ARG16D, ARG19D, ARG19F, ASN104D, ASN24F, ASP21D, ASP21F, ASP22D, ASP22F, CYS75D, GLU78D, GLY27F, GLY77D, HIS30F, ILE105D, ILE17D, ILE76D, ILE76F, LEU106D, MET18D, PRO20D, PRO20F, THR33F, VAL25F
• E-F: ALA116E, ALA116F, ALA154E, ALA154F, ALA23E, ALA23F, ALA26E, ALA26F, ALA43E, ALA43F, ALA60E, ALA60F, ALA61E, ALA61F, ALA63E, ALA63F, ARG151F, ARG159E, ARG159F, ARG16E, ARG16F, ARG64E, ARG64F, ARG67E, ARG67F, ASN114E, ASN114F, ASN24E, ASN24F, ASN28E, ASN28F, ASP129E, ASP129F, ASP21E, ASP21F, ASP22E, ASP22F, ASP69E, ASP69F, CYS58E, CYS75E, CYS75F, GLN155E, GLN155F, GLU147F, GLU158E, GLU158F, GLU161E, GLU39E, GLU39F, GLU40E, GLU40F, GLU66E, GLU66F, GLY27F, GLY31E, GLY31F, GLY32E, GLY32F, HIS30E, HIS30F, ILE34E, ILE34F, ILE38E, ILE38F, ILE44E, ILE44F, LEU118E, LEU118F, LEU123E, LEU123F, LEU125E, LEU125F, LEU35E, LEU35F, LEU62E, LEU62F, LEU71E, LEU71F, LYS111F, LYS115E, LYS115F, LYS126E, LYS150F, LYS36E, LYS36F, MET37E, MET37F, PHE70E, PHE70F, PRO73E, PRO73F, SER124E, SER72E, SER72F, THR117E, THR117F, THR33E, THR33F, THR47E, THR47F, THR68E, THR68F, TRP119E, TRP119F, TYR120E, TYR120F, VAL121E, VAL128E, VAL128F, VAL25E, VAL25F, VAL29E, VAL29F, VAL59E, VAL59F, VAL65E, VAL65F