3K3W

thermostable penicillin g acylase from alcaligence faecalis in orthorhombic form

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 453
  • Norm. En. per Res.: -4.789
• Hub Node: A(1)

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	-304.005	-111.3739	-1754.04	-2169.4189	453	128	47	70931	9	107	92

Interface residues

• A-B: ALA104A, ALA112B, ALA135B, ALA144A, ALA156A, ALA158A, ALA158B, ALA174A, ALA174B, ALA187A, ALA193A, ALA194B, ALA195A, ALA196A, ALA19A, ALA209B, ALA229B, ALA245B, ALA30B, ALA32A, ALA34A, ALA395B, ALA40B, ALA44A, ALA494B, ALA51B, ALA533B, ALA539B, ALA53A, ALA54A, ALA63A, ALA67B, ALA69B, ALA78A, ALA85A, ALA86A, ALA99A, ARG102B, ARG105B, ARG109B, ARG112A, ARG114B, ARG120B, ARG141B, ARG146A, ARG160A, ARG171A, ARG173A, ARG199B, ARG206B, ARG261B, ARG364B, ARG37A, ARG394B, ARG406B, ARG45A, ARG46A, ARG505B, ARG509B, ARG536B, ARG537B, ARG72A, ARG82A, ARG92A, ARG96A, ARG9A, ASN145A, ASN151A, ASN156B, ASN178B, ASN183A, ASN231B, ASN239B, ASN241B, ASN242B, ASN250B, ASN263B, ASN28B, ASN408B, ASN454B, ASN465B, ASN47B, ASN506B, ASN538B, ASN74A, ASP100A, ASP10A, ASP113B, ASP122A, ASP124A, ASP130B, ASP132A, ASP144B, ASP149A, ASP177A, ASP184A, ASP204B, ASP20A, ASP247B, ASP252B, ASP260B, ASP36A, ASP403B, ASP42A, ASP43B, ASP452B, ASP493B, ASP504B, ASP515B, ASP529B, ASP534B, ASP62A, ASP68A, ASP73B, ASP76B, ASP90A, ASP93A, CYS525B, GLN107B, GLN108A, GLN111B, GLN126A, GLN128B, GLN133B, GLN149B, GLN161A, GLN166A, GLN1A, GLN203B, GLN234B, GLN23B, GLN270B, GLN35A, GLN3A, GLN40A, GLN460B, GLN499B, GLN516B, GLN540B, GLN548B, GLN550B, GLN61A, GLN70A, GLN72B, GLN73A, GLN79B, GLN81A, GLN83A, GLU104B, GLU114A, GLU115B, GLU119A, GLU147B, GLU153A, GLU164A, GLU170A, GLU178A, GLU361B, GLU524B, GLU6A, GLU91A, GLY101A, GLY110B, GLY124B, GLY13A, GLY141A, GLY145B, GLY172A, GLY189B, GLY235B, GLY24A, GLY259B, GLY25B, GLY28A, GLY30A, GLY34B, GLY36B, GLY381B, GLY388B, GLY39B, GLY41B, GLY457B, GLY46B, GLY498B, GLY501B, GLY507B, GLY50A, GLY57A, GLY59A, GLY70B, GLY97A, HIS167A, HIS16A, HIS22A, HIS363B, HIS38B, HIS512B, HIS532B, ILE106B, ILE118B, ILE138A, ILE175B, ILE177B, ILE182A, ILE188B, ILE205B, ILE35B, ILE535B, ILE547B, ILE54B, ILE77B, ILE80A, ILE84A, ILE94A, LEU115A, LEU116A, LEU151B, LEU152A, LEU152B, LEU155B, LEU157A, LEU163A, LEU175A, LEU179A, LEU180A, LEU237B, LEU25A, LEU355B, LEU37B, LEU38A, LEU392B, LEU393B, LEU398B, LEU3B, LEU517B, LEU519B, LEU545B, LEU546B, LEU56A, LEU56B, LEU87A, LYS103B, LYS118A, LYS139B, LYS140B, LYS159B, LYS165A, LYS172B, LYS210B, LYS228B, LYS243B, LYS248B, LYS390B, LYS405B, LYS453B, LYS526B, LYS66A, LYS89A, MET116B, MET127B, MET137A, MET143A, MET159A, MET173B, MET262B, MET356B, MET366B, MET387B, MET41A, MET43A, MET462B, MET495B, MET528B, MET544B, MET69A, MET8A, PHE123A, PHE125A, PHE129B, PHE133A, PHE147A, PHE176A, PHE18A, PHE195B, PHE24B, PHE39A, PHE42B, PHE455B, PHE48A, PHE491B, PHE502B, PHE50B, PHE57B, PHE75A, PHE95A, PRO113A, PRO117A, PRO125B, PRO15A, PRO188A, PRO192A, PRO193B, PRO194A, PRO208B, PRO227B, PRO22B, PRO232B, PRO233B, PRO244B, PRO246B, PRO29B, PRO357B, PRO360B, PRO380B, PRO459B, PRO463B, PRO496B, PRO497B, PRO49B, PRO511B, PRO53B, PRO549B, PRO551B, PRO58A, PRO71B, PRO77A, SER11A, SER138B, SER142A, SER142B, SER148A, SER150B, SER162A, SER176B, SER192B, SER1B, SER21A, SER267B, SER362B, SER386B, SER47A, SER4A, SER500B, SER510B, SER541B, SER542B, SER5B, SER79A, SER88A, THR117B, THR150A, THR155A, THR185A, THR186A, THR189A, THR190A, THR249B, THR251B, THR253B, THR257B, THR32B, THR389B, THR456B, THR458B, THR461B, THR477B, THR48B, THR503B, THR51A, THR527B, THR52A, THR531B, THR543B, THR68B, THR76A, TRP119B, TRP139A, TRP143B, TRP154B, TRP179B, TRP181A, TRP217B, TRP240B, TRP256B, TRP26B, TRP4B, TYR102A, TYR105A, TYR120A, TYR12A, TYR137B, TYR146B, TYR180B, TYR190B, TYR230B, TYR236B, TYR23A, TYR254B, TYR255B, TYR258B, TYR26A, TYR27A, TYR27B, TYR296B, TYR29A, TYR31A, TYR31B, TYR33B, TYR367B, TYR513B, TYR52B, TYR64A, TYR67A, TYR78B, TYR98A, VAL108B, VAL109A, VAL121A, VAL126B, VAL135A, VAL136A, VAL140A, VAL148B, VAL14A, VAL154A, VAL17A, VAL191A, VAL191B, VAL207B, VAL238B, VAL266B, VAL2A, VAL33A, VAL354B, VAL358B, VAL359B, VAL391B, VAL397B, VAL407B, VAL409B, VAL44B, VAL45B, VAL49A, VAL508B, VAL530B, VAL55A, VAL55B, VAL5A, VAL65A, VAL71A, VAL74B, VAL75B, VAL7A