2CWZ

crystal structure of the thermus thermophilus hypothetical protein ttha0967, a thioesterase superfamily member

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 181
  • Norm. En. per Res.: -5.8067
• Hub Node: A(2)

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	-156.8909	-240.7186	-623.192	-1020.8015	180	21	16	23123	25	75	69
A-D	-17.1348	-61.7113	-17.2202	-96.0663	25	4	1	748	4	25	13
C-D	-163.1881	-252.1833	-635.648	-1051.0194	181	22	16	23125	24	75	70

Interface residues

• A-B: ALA136A, ALA136B, ALA35A, ALA35B, ALA46A, ALA46B, ALA68A, ALA68B, ALA72A, ALA72B, ALA74A, ALA74B, ARG112A, ARG112B, ARG128A, ARG128B, ARG129A, ARG129B, ARG133A, ARG133B, ARG23A, ARG23B, ARG48A, ARG48B, ARG69A, ARG69B, ARG79A, ARG79B, ARG93A, ARG93B, ASN102A, ASN102B, ASP106A, ASP106B, GLN115A, GLN115B, GLU103A, GLU103B, GLU114A, GLU114B, GLU124A, GLU124B, GLU132A, GLU132B, GLU135A, GLU135B, GLU137A, GLU137B, GLU13A, GLU13B, GLU19A, GLU19B, GLU25A, GLU25B, GLU26A, GLU26B, GLU44A, GLU44B, GLU60A, GLU60B, GLU67A, GLU67B, GLY105A, GLY105B, GLY109A, GLY109B, GLY111A, GLY111B, GLY28A, GLY28B, GLY47A, GLY47B, GLY61A, GLY61B, GLY63A, GLY63B, GLY77A, GLY77B, HIS31A, HIS31B, HIS42A, HIS42B, HIS70A, HIS70B, ILE108A, ILE108B, ILE50A, ILE50B, ILE51A, ILE51B, ILE62A, ILE62B, LEU104A, LEU104B, LEU107B, LEU118A, LEU118B, LEU126A, LEU126B, LEU130A, LEU130B, LEU27A, LEU27B, LEU45A, LEU45B, LEU52A, LEU52B, LEU71A, LEU71B, LEU75A, LEU75B, LYS120A, LYS120B, LYS131A, LYS131B, LYS41A, LYS41B, LYS49A, LYS49B, PHE127A, PHE127B, PHE12A, PHE12B, PHE24A, PHE24B, PRO29A, PRO29B, PRO32A, PRO32B, PRO53A, PRO53B, PRO76A, PRO76B, SER64A, SER64B, SER73A, SER73B, THR113A, THR113B, THR14A, THR14B, THR17B, THR21A, THR21B, THR36A, THR36B, TRP134A, TRP134B, TRP38A, TRP38B, TYR34A, TYR34B, TYR37A, TYR37B, TYR65A, TYR65B, TYR95A, TYR95B, VAL110A, VAL110B, VAL116A, VAL116B, VAL11A, VAL11B, VAL123A, VAL123B, VAL15A, VAL15B, VAL16A, VAL16B, VAL22A, VAL22B, VAL30A, VAL30B, VAL33A, VAL33B, VAL40A, VAL40B, VAL66A, VAL66B
• A-D: ALA121A, ALA121D, ALA125A, ALA125D, ARG128A, ARG128D, ARG129A, ARG129D, ARG2D, GLU124A, GLU124D, GLU132A, GLU132D, GLU56D, GLU57A, GLU57D, GLU59D, GLY58A, GLY58D, LEU126D, LYS120A, LYS120D, LYS122D, PRO119A, PRO119D
• C-D: ALA136C, ALA136D, ALA35C, ALA35D, ALA46C, ALA46D, ALA68C, ALA68D, ALA72C, ALA72D, ALA74C, ALA74D, ARG112C, ARG112D, ARG128C, ARG128D, ARG129C, ARG129D, ARG133C, ARG133D, ARG23C, ARG23D, ARG48C, ARG48D, ARG69C, ARG69D, ARG79C, ARG79D, ARG93C, ARG93D, ASN102C, ASN102D, ASP106C, ASP106D, GLN115C, GLN115D, GLU103C, GLU103D, GLU114C, GLU114D, GLU124C, GLU124D, GLU132C, GLU132D, GLU135C, GLU135D, GLU137C, GLU137D, GLU13C, GLU13D, GLU19C, GLU19D, GLU25C, GLU25D, GLU26C, GLU26D, GLU44C, GLU44D, GLU60C, GLU60D, GLU67C, GLU67D, GLY105C, GLY105D, GLY109C, GLY109D, GLY111C, GLY111D, GLY28C, GLY28D, GLY47C, GLY47D, GLY61C, GLY61D, GLY63C, GLY63D, GLY77C, GLY77D, HIS31C, HIS31D, HIS42C, HIS42D, HIS70C, HIS70D, ILE108C, ILE108D, ILE117D, ILE50C, ILE50D, ILE51C, ILE51D, ILE62C, ILE62D, LEU104C, LEU104D, LEU107C, LEU107D, LEU118C, LEU118D, LEU126C, LEU126D, LEU130C, LEU130D, LEU27C, LEU27D, LEU45C, LEU45D, LEU52C, LEU52D, LEU71C, LEU71D, LEU75C, LEU75D, LYS120C, LYS120D, LYS131C, LYS131D, LYS41C, LYS41D, LYS49C, LYS49D, PHE127C, PHE127D, PHE12C, PHE12D, PHE24C, PHE24D, PRO29C, PRO29D, PRO32C, PRO32D, PRO53C, PRO76C, PRO76D, SER64C, SER64D, SER73C, SER73D, THR113C, THR113D, THR14C, THR14D, THR17D, THR21C, THR21D, THR36C, THR36D, TRP134C, TRP134D, TRP38C, TRP38D, TYR34C, TYR34D, TYR37C, TYR37D, TYR65C, TYR65D, TYR95C, TYR95D, VAL110C, VAL110D, VAL116C, VAL116D, VAL11C, VAL11D, VAL123C, VAL123D, VAL15C, VAL15D, VAL16C, VAL16D, VAL22C, VAL22D, VAL30C, VAL30D, VAL33C, VAL33D, VAL40C, VAL40D, VAL66C, VAL66D