3LCF

the d-sialic acid aldolase mutant v251i

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 125
  • Norm. En. per Res.: -3.5204
• 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	-8.7939	-52.4775	-285.226	-346.4974	105	11	15	11570	6	24	33
A-D	-39.3522	-24.7148	-375.984	-440.051	125	9	12	13461	4	30	24
B-C	-41.8958	-23.0345	-371.713	-436.6433	128	13	12	13327	3	31	25
B-D	-20.2742	-50.5564	-288.59	-359.4206	105	14	15	11589	6	24	33
C-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1

Interface residues

• A-C: ALA195A, ALA195C, ALA200A, ALA200C, ALA202A, ALA202C, ALA223A, ALA223C, ALA232A, ALA232C, ARG178A, ARG178C, ARG179A, ARG179C, ASN240A, ASN240C, ASP170A, ASP170C, ASP191A, ASP191C, ASP203A, ASP203C, ASP228A, ASP228C, ASP244A, ASP244C, CYS239A, CYS239C, GLN173A, GLN173C, GLN176A, GLN176C, GLN230A, GLN230C, GLN233A, GLN233C, GLN236A, GLN236C, GLU175A, GLU175C, GLU192A, GLU192C, GLU226A, GLU226C, GLU238A, GLU238C, GLY169A, GLY169C, GLY197A, GLY197C, GLY201A, GLY201C, GLY227A, GLY227C, ILE193A, ILE193C, ILE220A, ILE220C, ILE229A, ILE229C, ILE243A, ILE243C, ILE247A, ILE247C, ILE251A, ILE251C, LEU149A, LEU149C, LEU171A, LEU171C, LEU198A, LEU198C, LEU199A, LEU199C, LEU224A, LEU224C, LEU245A, LEU245C, LEU246A, LEU246C, LYS225A, LYS225C, LYS234A, LYS234C, LYS241A, LYS241C, LYS248A, LYS248C, MET174A, MET174C, PHE194A, PHE194C, SER196A, SER196C, THR231A, THR231C, THR237A, THR237C, TYR172A, TYR172C, TYR190A, TYR190C, VAL221A, VAL242A, VAL242C
• A-D: ALA124A, ALA124D, ALA141A, ALA141D, ALA51A, ALA51D, ALA86A, ALA86D, ARG253A, ARG253D, ARG271A, ARG271D, ARG59A, ARG59D, ASP120A, ASP120D, ASP278A, CYS119A, CYS119D, CYS270A, CYS270D, CYS82A, CYS82D, GLN19A, GLN20A, GLN20D, GLN54A, GLN54D, GLN89A, GLN89D, GLU116A, GLU116D, GLU117A, GLU117D, GLU50A, GLU50D, GLU58A, GLU58D, GLU87A, GLU87D, GLY144A, GLY144D, GLY250A, GLY250D, GLY275A, GLY275D, GLY45A, GLY45D, GLY46A, GLY46D, GLY49A, GLY49D, HIS118A, HIS118D, HIS121A, HIS121D, HIS79A, HIS79D, ILE125A, ILE125D, ILE139A, ILE139D, ILE251A, ILE251D, LEU142A, LEU142D, LEU56A, LEU56D, LYS165A, LYS165D, LYS272A, LYS272D, PHE109A, PHE109D, PHE113A, PHE113D, PHE252A, PHE252D, PHE274A, PHE274D, PHE52A, PHE52D, PRO108A, PRO108D, PRO112A, PRO112D, PRO273A, PRO273D, PRO276A, PRO276D, SER114A, SER114D, SER143A, SER143D, SER47A, SER47D, SER55A, SER55D, SER84A, SER84D, SER88A, SER88D, THR107A, THR107D, THR48A, THR48D, THR85A, THR85D, TYR110A, TYR110D, TYR111A, TYR111D, TYR122A, TYR122D, TYR137A, TYR137D, TYR43A, VAL106A, VAL106D, VAL145A, VAL145D, VAL53A, VAL53D, VAL83A, VAL83D
• B-C: ALA124B, ALA124C, ALA141B, ALA141C, ALA51B, ALA51C, ALA86B, ALA86C, ARG253B, ARG253C, ARG271B, ARG271C, ASP120B, ASP120C, ASP278B, CYS119B, CYS119C, CYS270B, CYS270C, CYS82B, CYS82C, GLN19B, GLN20B, GLN20C, GLN54B, GLN54C, GLN89B, GLN89C, GLN90B, GLU116B, GLU116C, GLU117B, GLU117C, GLU50B, GLU50C, GLU58B, GLU58C, GLU87B, GLU87C, GLY144B, GLY144C, GLY250B, GLY250C, GLY275B, GLY275C, GLY45B, GLY45C, GLY46B, GLY46C, GLY49B, GLY49C, HIS118B, HIS118C, HIS121B, HIS121C, HIS79B, HIS79C, ILE125B, ILE125C, ILE139B, ILE139C, ILE251B, ILE251C, LEU142B, LEU142C, LEU56B, LEU56C, LYS146B, LYS146C, LYS165B, LYS165C, LYS272B, LYS272C, PHE109B, PHE109C, PHE113B, PHE113C, PHE16B, PHE252B, PHE252C, PHE274B, PHE274C, PHE52B, PHE52C, PRO108B, PRO108C, PRO112B, PRO112C, PRO273B, PRO273C, PRO276B, PRO276C, SER114B, SER114C, SER143B, SER143C, SER47B, SER47C, SER55B, SER55C, SER84B, SER84C, SER88B, SER88C, THR107B, THR107C, THR167C, THR48B, THR48C, THR85B, THR85C, TYR110B, TYR110C, TYR111B, TYR111C, TYR122B, TYR122C, TYR137B, TYR137C, TYR43B, VAL106B, VAL106C, VAL145B, VAL145C, VAL53B, VAL53C, VAL83B, VAL83C
• B-D: ALA195B, ALA195D, ALA200B, ALA200D, ALA202B, ALA202D, ALA223B, ALA223D, ALA232B, ALA232D, ARG178B, ARG178D, ARG179B, ARG179D, ASN240B, ASN240D, ASP170B, ASP170D, ASP191B, ASP191D, ASP203B, ASP203D, ASP228B, ASP228D, ASP244B, ASP244D, CYS239B, CYS239D, GLN173B, GLN173D, GLN176B, GLN176D, GLN230B, GLN230D, GLN233B, GLN233D, GLN236B, GLN236D, GLU175B, GLU175D, GLU192B, GLU192D, GLU226B, GLU226D, GLU238B, GLU238D, GLY169B, GLY169D, GLY197B, GLY197D, GLY201B, GLY201D, GLY227B, GLY227D, ILE193B, ILE193D, ILE220B, ILE220D, ILE229B, ILE229D, ILE243B, ILE243D, ILE247B, ILE247D, ILE251B, LEU149B, LEU149D, LEU171B, LEU171D, LEU198B, LEU198D, LEU199B, LEU199D, LEU224B, LEU224D, LEU245B, LEU245D, LEU246B, LEU246D, LYS222B, LYS225B, LYS225D, LYS234B, LYS234D, LYS241B, LYS241D, LYS248B, LYS248D, MET174B, MET174D, PHE194B, PHE194D, SER196B, SER196D, THR231B, THR231D, THR237B, THR237D, TYR172B, TYR172D, TYR190B, TYR190D, VAL221B, VAL242B, VAL242D
• C-D: LYS146C, LYS146D