1W3I

sulfolobus solfataricus 2-keto-3-deoxygluconate (kdg) aldolase complex with pyruvate

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 111
  • Norm. En. per Res.: -3.0444
• 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-C	-23.9199	3.6375	-282.798	-303.0804	109	7	3	11807	8	52	39
A-D	-28.9846	1.5435	-485.23	-512.6711	169	13	12	18297	3	44	29
B-C	-20.2788	24.244	-479.278	-475.3128	167	14	12	18054	0	41	31
B-D	-25.5526	-3.7595	-308.621	-337.9331	111	9	3	12035	8	52	40
C-D	0.0	0.0	-0.0019	-0.0019	5	0	0	6	0	0	0

Interface residues

• A-C: ALA142A, ALA185A, ALA185C, ALA188A, ALA188C, ALA214A, ALA214C, ALA222A, ALA222C, ALA235A, ALA235C, ARG169A, ARG169C, ARG217A, ARG217C, ARG237A, ARG237C, ASN160A, ASN160C, ASN171A, ASN171C, ASP166A, ASP166C, ASP181A, ASP181C, ASP220A, ASP220C, ASP230A, ASP230C, GLN226A, GLN226C, GLU159A, GLU159C, GLU216A, GLU216C, GLU231A, GLU231C, GLU234A, GLU234C, GLY179A, GLY179C, GLY191A, GLY191C, HIS163A, HIS163C, HIS229A, HIS229C, ILE158A, ILE158C, ILE161A, ILE161C, ILE162A, ILE162C, ILE184A, ILE184C, ILE219A, ILE219C, ILE233A, ILE233C, ILE282A, ILE282C, LEU165A, LEU165C, LEU170A, LEU170C, LEU183A, LEU183C, LEU192A, LEU192C, LEU223A, LEU223C, LEU228A, LEU228C, LYS143A, LYS168A, LYS168C, LYS218A, LYS218C, LYS224A, LYS224C, MET182A, MET182C, MET215A, MET215C, PHE227A, PHE227C, PRO172A, PRO172C, SER178A, SER178C, SER180A, SER180C, SER189A, SER189C, THR157A, THR157C, THR164A, THR164C, THR186A, THR186C, THR190A, THR190C, TYR167A, TYR167C, VAL176A, VAL187A, VAL187C, VAL232A, VAL232C
• A-D: ALA100A, ALA100D, ALA135A, ALA135D, ALA81A, ALA81D, ARG106A, ARG106D, ARG17A, ARG17D, ARG237A, ARG237D, ARG261A, ARG261D, ASN131D, ASN16A, ASN16D, ASN41A, ASN41D, ASN77A, ASN77D, ASP15A, ASP15D, ASP268A, ASP268D, ASP269D, ASP79A, ASP79D, ASP80A, ASP80D, GLN274A, GLN72A, GLN72D, GLU159A, GLU159D, GLU234A, GLU234D, GLU270A, GLU270D, GLU271A, GLU271D, GLU54A, GLU54D, GLY137A, GLY137D, GLY240A, GLY240D, GLY42A, GLY42D, GLY45A, GLY45D, GLY47A, GLY47D, GLY75A, GLY75D, HIS111A, HIS111D, ILE233A, ILE233D, ILE238A, ILE238D, ILE264A, ILE264D, ILE82A, ILE82D, LEU112A, LEU112D, LEU119A, LEU119D, LEU242A, LEU242D, LEU267A, LEU267D, LEU46A, LEU46D, LEU50A, LEU50D, LEU76A, LEU76D, LEU78A, LEU78D, LYS110A, LYS110D, LYS114A, LYS114D, LYS117A, LYS117D, LYS138A, LYS138D, LYS14A, LYS14D, LYS155A, LYS155D, LYS55A, LYS55D, MET107A, MET107D, MET182A, PHE116A, PHE116D, PHE12A, PHE12D, PHE239A, PHE239D, PHE265A, PHE265D, PHE39A, PHE39D, PRO101A, PRO101D, PRO105A, PRO105D, PRO133A, PRO133D, PRO260A, PRO260D, PRO262A, PRO262D, PRO263A, PRO263D, PRO266A, PRO266D, PRO48A, PRO48D, PRO52A, PRO52D, SER108A, SER108D, SER236A, SER236D, SER241A, SER241D, SER243A, SER243D, SER244A, SER244D, SER49A, SER49D, SER51A, SER51D, SER98A, THR118A, THR118D, THR134A, THR134D, THR136A, THR136D, THR157A, THR157D, THR43A, THR43D, THR44A, THR44D, TYR102A, TYR102D, TYR103A, TYR103D, TYR104A, TYR104D, TYR115A, TYR115D, TYR130A, TYR130D, TYR132A, TYR132D, TYR99A, TYR99D, VAL113A, VAL113D
• B-C: ALA100B, ALA100C, ALA135B, ALA135C, ALA81B, ALA81C, ARG106B, ARG106C, ARG17B, ARG17C, ARG237B, ARG237C, ARG261B, ARG261C, ASN16B, ASN16C, ASN41B, ASN41C, ASN77B, ASN77C, ASP15B, ASP15C, ASP268B, ASP268C, ASP79B, ASP79C, ASP80B, ASP80C, GLN274B, GLN274C, GLN72B, GLN72C, GLU159B, GLU159C, GLU234B, GLU234C, GLU270B, GLU270C, GLU271B, GLU271C, GLU54B, GLU54C, GLY137B, GLY137C, GLY240B, GLY240C, GLY42B, GLY42C, GLY45B, GLY45C, GLY47B, GLY47C, GLY75B, GLY75C, HIS111B, HIS111C, ILE233B, ILE233C, ILE238B, ILE238C, ILE264B, ILE264C, ILE82B, ILE82C, LEU112B, LEU112C, LEU119B, LEU119C, LEU242B, LEU242C, LEU267B, LEU267C, LEU46B, LEU46C, LEU50B, LEU50C, LEU76B, LEU76C, LEU78B, LEU78C, LYS110B, LYS110C, LYS114B, LYS114C, LYS117B, LYS117C, LYS138B, LYS138C, LYS14B, LYS14C, LYS155B, LYS155C, LYS55B, LYS55C, MET107B, MET107C, MET182B, MET182C, PHE116B, PHE116C, PHE12B, PHE12C, PHE239B, PHE239C, PHE265B, PHE265C, PHE39B, PHE39C, PRO101B, PRO101C, PRO105B, PRO105C, PRO133B, PRO133C, PRO260B, PRO260C, PRO262B, PRO262C, PRO263B, PRO263C, PRO266B, PRO266C, PRO48B, PRO48C, PRO52B, PRO52C, SER108B, SER108C, SER236C, SER241B, SER241C, SER243B, SER243C, SER244B, SER244C, SER49B, SER49C, SER51B, SER51C, THR118B, THR118C, THR134B, THR134C, THR136B, THR136C, THR157B, THR157C, THR43B, THR43C, THR44B, THR44C, TYR102B, TYR102C, TYR103B, TYR103C, TYR104B, TYR104C, TYR115B, TYR115C, TYR130B, TYR130C, TYR132B, TYR132C, TYR99B, TYR99C, VAL113B, VAL113C
• B-D: ALA142B, ALA185B, ALA185D, ALA188B, ALA188D, ALA214B, ALA214D, ALA222B, ALA222D, ALA235B, ALA235D, ARG169B, ARG169D, ARG217B, ARG217D, ARG237B, ARG237D, ASN160B, ASN160D, ASN171B, ASN171D, ASP166B, ASP166D, ASP181B, ASP181D, ASP220B, ASP220D, ASP230B, ASP230D, GLN226B, GLN226D, GLU159B, GLU159D, GLU216B, GLU216D, GLU231B, GLU231D, GLU234B, GLU234D, GLY179B, GLY179D, GLY191B, GLY191D, HIS163B, HIS163D, HIS229B, HIS229D, ILE158B, ILE158D, ILE161B, ILE161D, ILE162B, ILE162D, ILE184B, ILE184D, ILE219B, ILE219D, ILE233B, ILE233D, ILE282B, ILE282D, LEU165B, LEU165D, LEU170B, LEU170D, LEU183B, LEU183D, LEU192B, LEU192D, LEU213B, LEU223B, LEU223D, LEU228B, LEU228D, LYS143B, LYS168B, LYS168D, LYS218B, LYS218D, LYS224B, LYS224D, MET182B, MET182D, MET215B, MET215D, PHE227B, PHE227D, PRO172B, PRO172D, SER178B, SER178D, SER180B, SER180D, SER189B, SER189D, THR157B, THR157D, THR164B, THR164D, THR186B, THR186D, THR190B, THR190D, TYR167B, TYR167D, VAL176B, VAL176D, VAL187B, VAL187D, VAL232B, VAL232D
• C-D: ARG106C, ARG106D, ASN160D, ILE162C, ILE162D