1MPX

alpha-amino acid ester hydrolase labeled with selenomethionine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 117
  • Norm. En. per Res.: -3.807
• 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	-33.4951	11.3212	-154.936	-177.1098	96	3	2	5069	2	34	43
A-C	-144.7999	-44.8296	-438.547	-628.1765	178	16	16	17798	4	40	33
A-D	-59.5026	-91.2622	-294.657	-445.4217	117	18	1	11310	4	64	67
B-C	-56.0803	-89.0925	-295.035	-440.2078	117	19	1	11358	2	63	67
B-D	-154.4464	-44.3555	-449.16	-647.9619	175	17	15	17839	4	40	35
C-D	-31.2735	10.9692	-149.441	-169.7453	94	6	2	5121	2	34	43

Interface residues

• A-B: ALA102A, ALA102B, ALA528A, ALA528B, ALA92A, ALA92B, ARG361A, ARG361B, ARG364A, ARG364B, ARG90A, ARG90B, ASN344A, ASN344B, ASN354A, ASN354B, ASN396A, ASN396B, ASN530A, ASN530B, ASP104A, ASP105A, ASP105B, ASP346A, ASP346B, ASP358A, ASP358B, ASP366A, ASP366B, ASP98A, ASP98B, GLN362A, GLN362B, GLN579A, GLN579B, GLU109A, GLU109B, GLU356A, GLU356B, GLU525A, GLU525B, GLU526A, GLU526B, GLY103A, GLY103B, GLY357A, GLY357B, GLY534A, GLY534B, GLY535B, GLY581A, GLY581B, HIS365A, HIS365B, HIS397A, HIS582A, HIS582B, HIS95A, HIS95B, LEU100A, LEU100B, LEU91A, LEU91B, LEU99A, LEU99B, LYS97A, LYS97B, PHE355A, PHE355B, PRO489A, PRO489B, PRO524A, PRO524B, PRO531A, PRO531B, PRO580A, PRO580B, PRO94A, PRO94B, SER101A, SER101B, SER348A, SER348B, SER42A, SER42B, SER529A, SER529B, SER93A, SER93B, THR359A, THR359B, TYR345A, TYR345B, TYR391A, TYR523A, TYR523B
• A-C: ALA234A, ALA234C, ALA237A, ALA237C, ALA257A, ALA257C, ALA259A, ALA259C, ALA260A, ALA260C, ALA38A, ALA38C, ALA39A, ALA39C, ALA41A, ALA41C, ALA460A, ALA92A, ALA92C, ARG120A, ARG120C, ARG133A, ARG133C, ARG230A, ARG230C, ARG238A, ARG238C, ASN140A, ASN140C, ASN246A, ASN246C, ASN43A, ASN43C, ASP128A, ASP128C, ASP30A, ASP30C, ASP40A, ASP40C, ASP98A, ASP98C, GLN226A, GLN226C, GLN239A, GLN239C, GLN249A, GLN264A, GLN264C, GLN284A, GLN284C, GLU263A, GLU263C, GLU273A, GLU273C, GLU283A, GLU283C, GLU89A, GLU89C, GLY121A, GLY121C, GLY127A, GLY127C, GLY225A, GLY225C, GLY231A, GLY231C, GLY233A, GLY233C, GLY235A, GLY235C, GLY240A, GLY240C, GLY261A, GLY261C, GLY33A, GLY33C, HIS241A, HIS241C, HIS269A, HIS269C, HIS274A, HIS274C, HIS95A, HIS95C, ILE236A, ILE236C, ILE31A, ILE31C, LEU139A, LEU139C, LEU227A, LEU227C, LEU262A, LEU262C, LEU265A, LEU265C, LEU271A, LEU271C, LEU91A, LEU91C, LEU99A, LEU99C, LYS122A, LYS122C, LYS229A, LYS229C, LYS232A, LYS232C, LYS258A, LYS258C, LYS270A, LYS270C, LYS34A, LYS34C, LYS97A, LYS97C, PHE223A, PHE223C, PHE256A, PHE256C, PHE280A, PHE280C, PHE36A, PHE36C, PRO134A, PRO134C, PRO138A, PRO138C, PRO141A, PRO141C, PRO266A, PRO266C, PRO26A, PRO26C, PRO29A, PRO29C, PRO35A, PRO35C, PRO81A, PRO81C, PRO94A, PRO94C, SER228A, SER228C, SER25A, SER25C, SER42A, SER42C, SER93A, SER93C, THR132A, THR132C, THR224A, THR224C, THR24A, THR24C, THR272A, THR28A, THR28C, THR32A, THR32C, TRP267A, TRP267C, TRP268A, TRP268C, TYR123A, TYR123C, TYR129A, TYR129C, TYR175C, TYR45A, TYR45C, VAL119A, VAL119C, VAL130A, VAL130C, VAL37A, VAL37C
• A-D: ALA447A, ALA447D, ALA528A, ALA528D, ARG238A, ARG238D, ARG455A, ARG455D, ARG474A, ARG474D, ARG479A, ARG479D, ARG583A, ARG583D, ASN246A, ASN246D, ASN530A, ASN530D, ASP242A, ASP242D, ASP243A, ASP243D, ASP445A, ASP445D, ASP458A, ASP458D, ASP472A, ASP472D, ASP477A, ASP477D, ASP481A, ASP481D, GLN239A, GLN239D, GLN249A, GLN249D, GLN473A, GLN473D, GLN587A, GLN587D, GLU440A, GLU440D, GLU441A, GLU441D, GLU525A, GLU525D, GLU526A, GLU526D, GLU537A, GLU537D, GLY240A, GLY240D, GLY425D, GLY478A, GLY478D, GLY534A, GLY534D, GLY535A, GLY535D, HIS241A, HIS241D, HIS471A, HIS471D, LEU248A, LEU248D, LEU483A, LEU483D, LYS448A, LYS448D, LYS532A, LYS532D, LYS617A, LYS617D, PHE475A, PHE475D, PRO449A, PRO449D, PRO451A, PRO451D, PRO454A, PRO454D, PRO456A, PRO456D, PRO480A, PRO480D, PRO524A, PRO524D, PRO531A, PRO531D, SER245A, SER245D, SER444A, SER444D, THR484A, THR484D, TYR244A, TYR244D, TYR442A, TYR442D, TYR536A, TYR536D, VAL443A, VAL443D, VAL450A, VAL450D, VAL453A, VAL457A, VAL457D, VAL476A, VAL476D, VAL482A, VAL482D, VAL486D, VAL522A, VAL522D, VAL588A, VAL588D
• B-C: ALA447B, ALA447C, ALA528B, ALA528C, ARG238B, ARG238C, ARG455B, ARG455C, ARG474B, ARG474C, ARG479B, ARG479C, ARG583B, ARG583C, ASN246B, ASN246C, ASN530B, ASN530C, ASP242B, ASP242C, ASP243B, ASP243C, ASP445B, ASP445C, ASP458B, ASP458C, ASP472B, ASP472C, ASP477B, ASP477C, ASP481B, ASP481C, GLN239B, GLN239C, GLN249B, GLN249C, GLN473B, GLN473C, GLN587B, GLN587C, GLU440B, GLU440C, GLU441B, GLU441C, GLU525B, GLU525C, GLU526B, GLU526C, GLU537B, GLU537C, GLY240B, GLY240C, GLY425C, GLY478B, GLY478C, GLY534B, GLY534C, GLY535B, GLY535C, HIS241B, HIS241C, HIS471B, HIS471C, LEU248B, LEU248C, LEU483B, LEU483C, LYS448B, LYS448C, LYS532B, LYS532C, LYS617B, LYS617C, PHE475B, PHE475C, PRO449B, PRO449C, PRO451B, PRO451C, PRO454B, PRO454C, PRO456B, PRO456C, PRO480B, PRO480C, PRO524B, PRO524C, PRO531B, PRO531C, SER245B, SER245C, SER444B, SER444C, THR484B, THR484C, TYR244B, TYR244C, TYR442B, TYR442C, TYR536B, TYR536C, VAL443B, VAL443C, VAL450B, VAL450C, VAL453B, VAL453C, VAL457B, VAL457C, VAL476B, VAL476C, VAL482B, VAL482C, VAL522B, VAL522C, VAL588B, VAL588C
• B-D: ALA234B, ALA234D, ALA237B, ALA237D, ALA257B, ALA257D, ALA259B, ALA259D, ALA260B, ALA260D, ALA38B, ALA38D, ALA39B, ALA39D, ALA41B, ALA41D, ALA460B, ALA92B, ALA92D, ARG120B, ARG120D, ARG133B, ARG133D, ARG230B, ARG230D, ARG238B, ARG238D, ASN140B, ASN140D, ASN246B, ASN246D, ASN43B, ASN43D, ASP128B, ASP128D, ASP30B, ASP30D, ASP40B, ASP40D, ASP98B, ASP98D, GLN226B, GLN226D, GLN239B, GLN239D, GLN264B, GLN264D, GLN284B, GLN284D, GLU263B, GLU263D, GLU273B, GLU273D, GLU283B, GLU283D, GLU89B, GLU89D, GLY121B, GLY121D, GLY127B, GLY127D, GLY225B, GLY225D, GLY231B, GLY231D, GLY233B, GLY235B, GLY235D, GLY240B, GLY240D, GLY261B, GLY261D, GLY33B, GLY33D, HIS241B, HIS241D, HIS269B, HIS269D, HIS274B, HIS274D, HIS95B, HIS95D, ILE236B, ILE236D, ILE31B, ILE31D, LEU139B, LEU139D, LEU227B, LEU227D, LEU262B, LEU262D, LEU265B, LEU265D, LEU271B, LEU271D, LEU91B, LEU91D, LEU99B, LEU99D, LYS122B, LYS122D, LYS229B, LYS229D, LYS232B, LYS232D, LYS258B, LYS258D, LYS270B, LYS270D, LYS34B, LYS34D, LYS97B, LYS97D, PHE223B, PHE223D, PHE256B, PHE256D, PHE280B, PHE280D, PHE36B, PHE36D, PRO134B, PRO134D, PRO138B, PRO138D, PRO141B, PRO141D, PRO266B, PRO266D, PRO26B, PRO26D, PRO29B, PRO29D, PRO35B, PRO35D, PRO81B, PRO81D, PRO94B, PRO94D, SER228B, SER228D, SER25B, SER25D, SER42B, SER42D, SER93B, SER93D, THR132B, THR132D, THR224B, THR224D, THR24B, THR24D, THR272B, THR28B, THR28D, THR32B, THR32D, TRP267B, TRP267D, TRP268B, TRP268D, TYR123B, TYR123D, TYR129B, TYR129D, TYR45B, TYR45D, VAL119B, VAL119D, VAL130B, VAL130D, VAL37B, VAL37D
• C-D: ALA102C, ALA102D, ALA528C, ALA528D, ALA92C, ALA92D, ARG361C, ARG361D, ARG364C, ARG364D, ARG90C, ARG90D, ASN344C, ASN344D, ASN354C, ASN354D, ASN396C, ASN396D, ASN530C, ASN530D, ASP104C, ASP104D, ASP105C, ASP105D, ASP346C, ASP346D, ASP358C, ASP358D, ASP366C, ASP366D, ASP98C, ASP98D, GLN362C, GLN362D, GLN579C, GLN579D, GLU109C, GLU109D, GLU356C, GLU356D, GLU525C, GLU525D, GLU526C, GLU526D, GLY103C, GLY103D, GLY357C, GLY357D, GLY534C, GLY534D, GLY535D, GLY581C, GLY581D, HIS365C, HIS365D, HIS582C, HIS582D, HIS95C, HIS95D, LEU100C, LEU100D, LEU91C, LEU91D, LEU99C, LEU99D, LYS97C, LYS97D, PHE355C, PHE355D, PRO489C, PRO489D, PRO524C, PRO524D, PRO531C, PRO531D, PRO580C, PRO580D, PRO94C, PRO94D, SER101C, SER101D, SER348C, SER348D, SER42C, SER529C, SER529D, SER93C, SER93D, THR359C, THR359D, TYR345C, TYR345D, TYR391C, TYR523D