3SVN

crystal structure of mkate s158a mutant at ph 7.5

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 143
  • Norm. En. per Res.: -4.1658
• 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	-92.732	-105.8832	-397.094	-595.7092	143	13	10	15411	7	60	69
A-C	0.0	0.0	-2.0902	-2.0902	10	0	0	188	0	0	4
A-D	-36.5638	15.1544	-231.202	-252.6114	102	13	4	10716	0	23	29
B-C	-32.8178	19.3368	-230.978	-244.4589	98	9	4	10508	0	23	28
B-D	0.0	1.0124	-2.4193	-1.4069	8	0	0	194	0	1	4
C-D	-107.3764	-91.5498	-395.079	-594.0052	143	15	10	15328	7	61	69

Interface residues

• A-B: ALA142A, ALA142B, ALA150A, ALA150B, ALA158A, ALA158B, ALA161A, ALA161B, ALA217A, ALA217B, ALA219A, ALA219B, ALA229A, ARG157A, ARG157B, ARG197A, ARG197B, ARG198A, ARG198B, ARG201A, ARG201B, ARG220A, ARG220B, ASN173A, ASN173B, ASN71A, ASN71B, ASP151A, ASP159A, ASP159B, ASP196A, ASP196B, ASP223A, ASP223B, CYS172A, CYS172B, CYS222A, CYS222B, GLN213A, GLN213B, GLN39A, GLN39B, GLU141A, GLU141B, GLU145A, GLU145B, GLU155A, GLU155B, GLU200A, GLU200B, GLU212A, GLU212B, GLU215A, GLU215B, GLU36A, GLU36B, GLU97A, GLU97B, GLY139A, GLY139B, GLY156A, GLY156B, GLY167B, GLY168A, GLY168B, GLY191A, GLY191B, GLY37A, GLY37B, HIS169A, HIS169B, HIS214A, HIS214B, HIS230A, ILE171A, ILE171B, ILE202A, ILE202B, LEU138A, LEU138B, LEU147A, LEU147B, LEU162A, LEU162B, LEU170A, LEU170B, LEU174A, LEU174B, LEU199A, LEU199B, LEU224A, LEU224B, LEU228A, LEU228B, LYS163A, LYS163B, LYS175A, LYS175B, LYS203A, LYS203B, LYS227A, LYS227B, LYS231A, MET146A, MET146B, MET160A, MET160B, PRO149A, PRO149B, PRO225A, PRO225B, SER143A, SER143B, SER226A, SER226B, THR144A, THR144B, THR38A, THR38B, THR40A, THR40B, THR73B, THR95A, THR95B, TRP140A, TRP140B, TYR148A, TYR148B, TYR193A, TYR193B, TYR194A, TYR194B, TYR221A, TYR221B, TYR96B, VAL192A, VAL192B, VAL195A, VAL195B, VAL216A, VAL216B, VAL218A, VAL218B
• A-C: ASN125A, ASN125C, ASP98A, ASP98C, GLU97A, GLU97C, GLY99A, GLY99C, TYR96A, TYR96C
• A-D: ALA104A, ALA104D, ALA150A, ALA150D, ARG122A, ARG122D, ARG157A, ARG157D, ARG179A, ARG179D, ARG92A, ARG92D, ASN118A, ASN125A, ASN125D, ASN129A, ASN129D, ASN20A, ASN20D, ASN21A, ASN21D, ASP107A, ASP107D, ASP151A, ASP151D, GLN106A, GLN106D, GLU155A, GLU155D, GLU16A, GLU16D, GLU91A, GLU91D, GLY100A, GLY100D, GLY123A, GLY123D, GLY152D, GLY153A, GLY153D, GLY156A, GLY156D, GLY17A, GLY17D, GLY99A, GLY99D, HIS22A, HIS22D, HIS23A, HIS23D, ILE121A, ILE121D, LEU102A, LEU102D, LEU174A, LEU174D, LYS120A, LYS120D, LYS175A, LYS175D, LYS181A, LYS181D, MET133A, MET133D, PHE126A, PHE126D, PHE24D, PRO127A, PRO127D, SER128A, SER128D, SER180A, SER180D, THR103A, THR103D, THR105A, THR105D, THR176A, THR176D, THR177A, THR177D, THR18A, THR18D, THR89A, THR89D, THR94A, THR94D, THR95A, THR95D, TRP90A, TRP90D, TYR178A, VAL101A, VAL101D, VAL119A, VAL119D, VAL124A, VAL124D, VAL19A, VAL19D, VAL93A, VAL93D
• B-C: ALA104B, ALA104C, ALA150C, ARG122B, ARG122C, ARG157B, ARG157C, ARG179B, ARG179C, ARG92B, ARG92C, ASN118C, ASN125B, ASN125C, ASN129B, ASN20B, ASN20C, ASN21B, ASN21C, ASP107B, ASP107C, ASP151C, ASP98B, GLN106B, GLN106C, GLU155B, GLU155C, GLU16B, GLU16C, GLU91B, GLU91C, GLY100B, GLY100C, GLY123B, GLY123C, GLY152C, GLY153C, GLY156C, GLY17B, GLY17C, GLY99B, GLY99C, HIS22B, HIS22C, HIS23B, HIS23C, ILE121B, ILE121C, LEU102B, LEU102C, LEU174C, LYS120B, LYS120C, LYS175B, LYS175C, LYS181B, LYS181C, LYS25B, MET133B, MET133C, PHE126B, PHE126C, PHE24B, PRO127B, PRO127C, SER128B, SER128C, SER180B, SER180C, THR103B, THR103C, THR105B, THR105C, THR176B, THR176C, THR177B, THR177C, THR18B, THR18C, THR89B, THR89C, THR94B, THR94C, THR95B, THR95C, TRP90B, TRP90C, TYR178C, VAL101B, VAL101C, VAL119B, VAL119C, VAL124B, VAL124C, VAL19B, VAL19C, VAL93B, VAL93C
• B-D: ASP98B, ASP98D, GLU97B, GLU97D, GLY99B, GLY99D, TYR96B, TYR96D
• C-D: ALA142C, ALA142D, ALA150C, ALA150D, ALA158C, ALA158D, ALA161C, ALA161D, ALA217C, ALA217D, ALA219C, ALA219D, ALA229C, ARG157C, ARG157D, ARG197C, ARG197D, ARG198C, ARG198D, ARG201C, ARG201D, ARG220C, ARG220D, ASN173C, ASN173D, ASN71C, ASN71D, ASP151C, ASP151D, ASP159C, ASP159D, ASP196C, ASP196D, ASP223C, ASP223D, CYS172C, CYS172D, CYS222C, CYS222D, GLN213C, GLN213D, GLN39C, GLN39D, GLU141C, GLU141D, GLU145C, GLU145D, GLU155C, GLU155D, GLU200C, GLU200D, GLU212C, GLU212D, GLU215C, GLU215D, GLU36C, GLU36D, GLU97C, GLU97D, GLY139C, GLY139D, GLY156C, GLY156D, GLY168C, GLY168D, GLY191C, GLY191D, GLY37C, GLY37D, HIS169C, HIS169D, HIS214C, HIS214D, HIS230C, ILE171C, ILE171D, ILE202C, ILE202D, LEU138C, LEU138D, LEU147C, LEU147D, LEU162C, LEU162D, LEU170C, LEU170D, LEU174C, LEU174D, LEU199C, LEU199D, LEU224C, LEU224D, LEU228C, LEU228D, LYS163C, LYS163D, LYS175C, LYS175D, LYS203C, LYS203D, LYS227C, LYS227D, LYS231C, MET146C, MET146D, MET160C, MET160D, PRO149C, PRO149D, PRO225C, PRO225D, SER143C, SER143D, SER226C, SER226D, THR144C, THR144D, THR38C, THR38D, THR40C, THR40D, THR95C, THR95D, TRP140C, TRP140D, TYR148C, TYR148D, TYR193C, TYR193D, TYR194C, TYR194D, TYR221C, TYR221D, TYR96C, TYR96D, VAL192C, VAL192D, VAL195C, VAL195D, VAL216C, VAL216D, VAL218C, VAL218D