4ECA

asparaginase from e. coli, mutant t89v with covalently bound aspartate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 97
  • Norm. En. per Res.: -5.8678
• 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	-34.1566	-9.7756	-233.661	-277.5932	93	10	4	8774	4	12	20
A-C	-149.3747	7.2259	-786.347	-928.4957	225	38	15	28824	4	33	29
A-D	-80.7593	-177.6444	-310.776	-569.1797	97	15	4	10576	9	20	24
B-C	-92.5288	-177.5019	-303.283	-573.3137	99	14	4	10227	8	20	23
B-D	-136.3683	6.901	-798.364	-927.8313	225	48	15	29199	5	33	30
C-D	-32.6971	-7.742	-237.265	-277.7041	95	12	4	8894	3	12	20

Interface residues

• A-B: ALA123A, ALA123B, ALA169A, ALA169B, ALA20A, ALA20B, ALA38A, ALA38B, ARG116A, ARG116B, ASN128A, ASN128B, ASN131A, ASN131B, ASN151A, ASN151B, ASN164A, ASN164B, ASN184A, ASN184B, ASN24A, ASN24B, ASP124A, ASP124B, ASP152A, ASP152B, ASP167A, ASP167B, ASP44A, ASP44B, GLN41A, GLN41B, GLY125A, GLY125B, GLY185A, GLY185B, HIS183A, HIS183B, ILE182A, ILE182B, ILE45A, ILE45B, LEU129A, LEU129B, LEU42A, LEU42B, LYS172A, LYS172B, LYS186A, LYS186B, LYS22A, LYS22B, MET121A, MET121B, MET150A, MET150B, PHE127A, PHE127B, PRO126A, PRO126B, PRO40A, PRO40B, SER120A, SER120B, SER122A, SER122B, SER19A, SER19B, SER23A, SER23B, THR119A, THR119B, THR153A, THR153B, THR165A, THR166A, THR166B, THR170A, THR170B, THR21A, THR21B, TYR130A, TYR130B, TYR181A, TYR181B, TYR25A, TYR25B, VAL134A, VAL134B, VAL168A, VAL168B, VAL39A, VAL39B
• A-C: ALA221A, ALA221C, ALA223A, ALA223C, ALA228A, ALA228C, ALA230A, ALA230C, ALA234A, ALA234C, ALA242A, ALA242C, ALA277A, ALA277C, ALA282A, ALA282C, ALA302A, ALA302C, ARG272A, ARG272C, ARG303A, ARG303C, ASN164A, ASN164C, ASN175A, ASN175C, ASN219A, ASN219C, ASN222A, ASN222C, ASN246A, ASN246C, ASN248A, ASN248C, ASN24A, ASN24C, ASN298A, ASN298C, ASN62A, ASN62C, ASN64A, ASN64C, ASP167A, ASP167C, ASP18C, ASP225A, ASP225C, ASP233A, ASP233C, ASP281A, ASP281C, ASP285A, ASP285C, ASP286C, ASP60A, ASP60C, ASP63A, ASP63C, ASP90A, ASP90C, GLN280A, GLN280C, GLN300A, GLN300C, GLN307A, GLN307C, GLN59A, GLN59C, GLU283A, GLU283C, GLU93A, GLU93C, GLU94A, GLU94C, GLY11A, GLY11C, GLY15A, GLY15C, GLY16A, GLY16C, GLY17C, GLY215A, GLY215C, GLY235A, GLY235C, GLY243A, GLY243C, GLY245A, GLY245C, GLY247A, GLY247C, GLY276A, GLY276C, GLY295A, GLY295C, GLY57A, GLY57C, HIS87A, HIS87C, ILE216A, ILE216C, ILE239A, ILE239C, ILE56A, ILE56C, LEU211A, LEU211C, LEU226A, LEU226C, LEU231A, LEU231C, LEU249A, LEU249C, LYS162A, LYS162C, LYS172A, LYS172C, LYS213A, LYS213C, LYS229A, LYS229C, LYS22A, LYS22C, LYS251A, LYS251C, LYS301A, LYS301C, MET115A, MET115C, MET61A, MET61C, MET92A, MET92C, PHE171A, PHE171C, PHE254A, PHE254C, PHE98A, PHE98C, PRO117A, PRO117C, PRO212A, PRO212C, PRO227A, PRO227C, PRO274A, PRO274C, PRO299A, PRO299C, SER224A, SER224C, SER23A, SER23C, SER252A, SER252C, SER270A, SER270C, SER271A, SER271C, SER294A, SER294C, SER58A, SER58C, THR161A, THR161C, THR163A, THR163C, THR165A, THR165C, THR166A, THR166C, THR170A, THR170C, THR26A, THR26C, THR275A, THR275C, THR278A, THR278C, THR279A, THR279C, THR296A, THR296C, THR91A, THR91C, THR95A, THR95C, TRP66A, TRP66C, TYR218A, TYR218C, TYR220A, TYR220C, TYR236A, TYR236C, TYR250A, TYR250C, TYR25A, TYR25C, VAL174A, VAL174C, VAL214A, VAL214C, VAL217A, VAL217C, VAL232A, VAL232C, VAL240A, VAL240C, VAL244A, VAL244C, VAL253A, VAL253C, VAL273A, VAL273C, VAL27A, VAL27C, VAL284A, VAL284C, VAL304A, VAL304C, VAL65A, VAL65C, VAL89A, VAL89C
• A-D: ALA194A, ALA194D, ALA277A, ALA277D, ALA282A, ALA282D, ARG144A, ARG144D, ARG158A, ARG158D, ARG191A, ARG191D, ARG195A, ARG195D, ASN175A, ASN175D, ASN184A, ASN184D, ASN246A, ASN246D, ASN324A, ASN324D, ASP156A, ASP156D, ASP159A, ASP159D, ASP188A, ASP188D, ASP281A, ASP281D, GLN190A, GLN190D, GLN280A, GLN280D, GLN325A, GLN325D, GLU283A, GLU283D, GLY157A, GLY157D, GLY177A, GLY177D, GLY180A, GLY180D, GLY276A, GLY276D, GLY295A, GLY295D, HIS183A, HIS183D, HIS197A, HIS197D, ILE182A, ILE182D, ILE187A, ILE187D, LEU147A, LEU155A, LEU155D, LEU179A, LEU179D, LEU297A, LEU297D, LYS186A, LYS186D, PHE323A, PHE323D, PRO178A, PRO178D, PRO193A, PRO193D, SER173A, SER173D, THR153A, THR153D, THR192A, THR192D, THR275A, THR275D, THR279A, THR279D, THR296A, THR296D, TYR176A, TYR176D, TYR181A, TYR181D, TYR189A, TYR189D, TYR326A, TYR326D, VAL154A, VAL154D, VAL160A, VAL160D, VAL174A, VAL174D
• B-C: ALA194B, ALA194C, ALA277B, ALA277C, ALA282B, ALA282C, ARG144B, ARG144C, ARG158B, ARG158C, ARG191B, ARG191C, ARG195B, ARG195C, ARG269C, ASN175B, ASN175C, ASN184B, ASN184C, ASN246B, ASN246C, ASN324B, ASN324C, ASP156B, ASP156C, ASP159B, ASP159C, ASP188B, ASP188C, ASP281B, ASP281C, GLN190B, GLN190C, GLN280B, GLN280C, GLN325B, GLN325C, GLU283B, GLU283C, GLY157B, GLY157C, GLY177B, GLY177C, GLY180B, GLY180C, GLY276B, GLY276C, GLY295B, GLY295C, HIS183B, HIS183C, HIS197B, HIS197C, ILE182B, ILE182C, ILE187B, ILE187C, LEU155B, LEU155C, LEU179B, LEU179C, LEU297B, LEU297C, LYS186B, LYS186C, PHE323B, PHE323C, PRO178B, PRO178C, PRO193B, PRO193C, SER173B, SER173C, THR153B, THR153C, THR192B, THR192C, THR275B, THR275C, THR278B, THR278C, THR279B, THR279C, THR296B, THR296C, TYR176B, TYR176C, TYR181B, TYR181C, TYR189B, TYR189C, TYR326B, TYR326C, VAL154B, VAL154C, VAL160B, VAL160C, VAL174B, VAL174C
• B-D: ALA221B, ALA221D, ALA223B, ALA223D, ALA228B, ALA228D, ALA230B, ALA230D, ALA234B, ALA234D, ALA242B, ALA242D, ALA277B, ALA277D, ALA282B, ALA282D, ARG269B, ARG272B, ARG272D, ARG303B, ARG303D, ASN164B, ASN164D, ASN175B, ASN175D, ASN219B, ASN219D, ASN222B, ASN222D, ASN246B, ASN246D, ASN248B, ASN248D, ASN24B, ASN24D, ASN298B, ASN298D, ASN62B, ASN62D, ASN64B, ASN64D, ASP167B, ASP167D, ASP225B, ASP225D, ASP233B, ASP233D, ASP281B, ASP281D, ASP285B, ASP285D, ASP286B, ASP286D, ASP60B, ASP60D, ASP63B, ASP63D, ASP90B, ASP90D, GLN280B, GLN280D, GLN300B, GLN300D, GLN307B, GLN307D, GLN59B, GLN59D, GLU283B, GLU283D, GLU93B, GLU93D, GLU94B, GLU94D, GLY11B, GLY11D, GLY15B, GLY15D, GLY16B, GLY16D, GLY215B, GLY215D, GLY235B, GLY235D, GLY238D, GLY243B, GLY243D, GLY245B, GLY245D, GLY247B, GLY247D, GLY276B, GLY276D, GLY28D, GLY295B, GLY295D, GLY57B, GLY57D, HIS87B, HIS87D, ILE216B, ILE216D, ILE239B, ILE239D, ILE56B, ILE56D, LEU211B, LEU211D, LEU226B, LEU226D, LEU231B, LEU231D, LEU249B, LEU249D, LYS162B, LYS162D, LYS172B, LYS172D, LYS213B, LYS213D, LYS229B, LYS229D, LYS22B, LYS22D, LYS251B, LYS251D, LYS301B, LYS301D, MET115B, MET115D, MET61B, MET61D, MET92B, MET92D, PHE171B, PHE171D, PHE254B, PHE254D, PHE98B, PHE98D, PRO117B, PRO117D, PRO212B, PRO212D, PRO227B, PRO227D, PRO274B, PRO274D, PRO299B, PRO299D, SER224B, SER224D, SER23B, SER23D, SER252B, SER252D, SER270B, SER270D, SER271B, SER271D, SER294B, SER294D, SER58B, SER58D, THR161B, THR161D, THR163B, THR163D, THR165B, THR165D, THR166B, THR166D, THR170B, THR170D, THR26B, THR26D, THR275B, THR275D, THR278B, THR278D, THR279B, THR279D, THR296B, THR296D, THR91B, THR91D, THR95B, THR95D, TRP66B, TRP66D, TYR218B, TYR218D, TYR220B, TYR220D, TYR236B, TYR236D, TYR250B, TYR250D, TYR25B, TYR25D, VAL174B, VAL174D, VAL214B, VAL214D, VAL217B, VAL217D, VAL232B, VAL232D, VAL240B, VAL240D, VAL244B, VAL244D, VAL253B, VAL253D, VAL273B, VAL273D, VAL27B, VAL27D, VAL284B, VAL284D, VAL304B, VAL304D, VAL65B, VAL65D, VAL89B, VAL89D
• C-D: ALA123C, ALA123D, ALA169C, ALA169D, ALA20C, ALA20D, ALA38C, ALA38D, ARG116C, ARG116D, ASN128C, ASN128D, ASN131C, ASN131D, ASN151C, ASN151D, ASN164C, ASN164D, ASN184C, ASN184D, ASN24C, ASN24D, ASP124C, ASP124D, ASP152C, ASP152D, ASP167C, ASP167D, ASP18C, ASP44C, ASP44D, GLN41C, GLN41D, GLY125C, GLY125D, GLY185C, GLY185D, HIS183C, HIS183D, ILE182C, ILE182D, ILE45C, ILE45D, LEU129C, LEU129D, LEU42C, LEU42D, LYS172C, LYS172D, LYS186C, LYS186D, LYS22C, LYS22D, MET121C, MET121D, MET150C, MET150D, PHE127C, PHE127D, PRO126C, PRO126D, PRO178D, PRO40C, PRO40D, SER120C, SER120D, SER122C, SER122D, SER19C, SER19D, SER23C, SER23D, THR119C, THR153C, THR153D, THR165C, THR165D, THR166C, THR166D, THR170C, THR170D, THR21C, THR21D, TYR130C, TYR130D, TYR181C, TYR181D, TYR25C, TYR25D, VAL134C, VAL134D, VAL168C, VAL168D, VAL39C, VAL39D