2QWZ

crystal structure of a putative thioesterase (tm1040_1390) from silicibacter sp. tm1040 at 2.15 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 65
  • Norm. En. per Res.: -3.8912
• Hub Node: A(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	-79.6104	0.0	-173.319	-252.9294	65	7	3	5615	0	1	3
A-C	0.0	0.0	-14.1988	-14.1988	36	0	0	1376	0	0	2
A-D	-10.5767	2.5441	-138.673	-146.7056	68	3	2	6714	0	17	18
B-C	-8.2265	4.0496	-128.731	-132.9078	68	4	2	6639	0	16	18
B-D	0.0	0.0	-16.8823	-16.8823	36	0	0	1572	0	0	2
C-D	-67.0016	0.0	-160.934	-227.9356	67	6	3	5470	0	1	3

Interface residues

• A-B: ALA128A, ALA128B, ALA59A, ALA59B, ALA61A, ALA61B, ALA84A, ALA84B, ARG129A, ARG129B, ARG44A, ARG47B, ARG90A, ARG90B, ASN83A, ASN83B, ASP62A, ASP62B, ASP87A, ASP87B, GLN20B, GLU24B, GLY54A, GLY54B, LEU46A, LEU60A, LEU60B, LEU86A, LEU86B, LYS91A, LYS91B, PHE18B, PHE25A, PHE25B, PHE58A, PHE58B, PHE88A, PHE88B, PRO19A, PRO55A, PRO55B, SER130A, SER130B, SER135A, SER135B, SER53A, SER53B, SER56A, SER56B, SER85A, SER85B, THR131A, THR131B, THR133A, THR133B, THR81A, THR81B, THR82A, THR82B, TYR134A, TYR134B, VAL63A, VAL63B, VAL80A, VAL80B
• A-C: ALA84A, ALA84C, ARG109C, ARG129A, ASN83A, ASN83C, ILE136A, ILE136C, LEU111A, LEU111C, LYS106A, LYS106C, PRO137A, PRO137C, PRO138A, PRO138C, SER135A, SER135C, SER85A, SER85C, THR110A, THR110C, THR131A, THR131C, THR133A, THR133C, THR81A, THR81C, THR82A, THR82C, TYR134A, TYR134C, VAL113A, VAL113C, VAL80A, VAL80C
• A-D: ALA112A, ALA125A, ALA125D, ALA128A, ALA128D, ARG103A, ARG103D, ARG129A, ARG129D, ARG90A, ARG90D, ASN-5A, ASN83A, ASN83D, ASP115A, ASP115D, ASP87A, ASP87D, GLN-1A, GLN101A, GLN101D, GLU124D, GLY0A, GLY108A, GLY108D, GLY114A, GLY114D, ILE116A, ILE116D, LEU-4A, LEU104A, LEU104D, LEU105A, LEU105D, LEU107A, LEU107D, LEU111A, LEU111D, LEU117A, LEU117D, LEU118A, LEU118D, LEU86A, LEU86D, LYS106A, LYS106D, LYS91A, LYS91D, PHE-2A, PHE119A, PHE119D, PHE88A, PHE88D, PRO126A, PRO126D, SER130A, SER130D, SER85A, SER85D, THR131A, THR131D, THR133A, THR133D, TYR-3A, VAL113A, VAL113D, VAL127A, VAL127D
• B-C: ALA112B, ALA125B, ALA125C, ALA128B, ALA128C, ARG103B, ARG103C, ARG129B, ARG129C, ARG90B, ARG90C, ASN-5B, ASN83B, ASN83C, ASP115B, ASP115C, ASP87B, ASP87C, GLN-1B, GLN101B, GLN101C, GLU124C, GLY0B, GLY108B, GLY108C, GLY114B, GLY114C, ILE116B, ILE116C, LEU-4B, LEU104B, LEU104C, LEU105B, LEU105C, LEU107B, LEU107C, LEU111B, LEU111C, LEU117B, LEU117C, LEU118B, LEU118C, LEU86B, LEU86C, LYS106B, LYS106C, LYS91B, LYS91C, PHE-2B, PHE119B, PHE119C, PHE88B, PHE88C, PRO126B, PRO126C, SER130B, SER130C, SER85B, SER85C, THR131B, THR131C, THR133B, THR133C, TYR-3B, VAL113B, VAL113C, VAL127B, VAL127C
• B-D: ALA84B, ALA84D, ARG109D, ARG129B, ASN83B, ASN83D, ILE136B, ILE136D, LEU111B, LEU111D, LYS106B, LYS106D, PRO137B, PRO137D, PRO138B, PRO138D, SER135B, SER135D, SER85B, SER85D, THR110B, THR110D, THR131B, THR131D, THR133B, THR133D, THR81B, THR81D, THR82B, THR82D, TYR134B, TYR134D, VAL113B, VAL113D, VAL80B, VAL80D
• C-D: ALA128D, ALA59C, ALA59D, ALA61C, ALA61D, ALA84C, ALA84D, ARG129C, ARG129D, ARG44C, ARG47C, ARG47D, ARG90C, ARG90D, ASN83C, ASN83D, ASP62C, ASP62D, ASP87C, ASP87D, GLN20C, GLN20D, GLU24C, GLY54C, GLY54D, ILE21C, LEU46C, LEU46D, LEU60C, LEU60D, LEU86C, LEU86D, LYS91C, LYS91D, PHE18D, PHE25C, PHE25D, PHE58C, PHE58D, PHE88C, PHE88D, PRO55C, PRO55D, SER130C, SER130D, SER135C, SER135D, SER53C, SER53D, SER56C, SER56D, SER85C, SER85D, THR131C, THR131D, THR133C, THR133D, THR81C, THR81D, THR82C, THR82D, TYR134C, TYR134D, VAL63C, VAL63D, VAL80C, VAL80D