3NEV

crystal structure of yage, a prophage protein from e. coli k12 in complex with kdgal

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 154
  • Norm. En. per Res.: -4.1773
• 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-B	-71.7304	-72.3244	-499.245	-643.2999	154	18	4	18393	8	20	25
A-C	-71.2165	-50.268	-262.773	-384.2574	97	13	12	10647	4	20	21
B-D	-79.5617	-45.5609	-242.719	-367.8416	96	14	12	10347	2	20	20
C-D	-68.9875	-68.3354	-497.467	-634.7899	155	19	4	18285	8	20	25

Interface residues

• A-B: ALA125A, ALA125B, ALA149A, ALA149B, ALA221A, ALA221B, ALA288A, ALA288B, ALA65A, ALA65B, ALA94A, ALA94B, ARG129A, ARG129B, ARG295A, ARG295B, ARG68A, ARG68B, ARG95A, ARG95B, ASN116A, ASN116B, ASN126A, ASN126B, ASN146A, ASN267A, ASN267B, ASN93A, ASN93B, ASP262A, ASP262B, ASP28A, ASP28B, GLN133A, GLN133B, GLN153A, GLN153B, GLN30A, GLN30B, GLN62A, GLN62B, GLU124A, GLU124B, GLU59A, GLU59B, GLU66A, GLU66B, GLU67A, GLU67B, GLU96A, GLU96B, GLY152A, GLY152B, GLY29A, GLY29B, GLY55A, GLY55B, GLY57A, GLY57B, GLY58A, GLY58B, GLY64A, GLY64B, GLY91A, GLY91B, HIS283B, ILE115A, ILE115B, ILE269A, ILE269B, ILE71A, ILE71B, ILE98A, ILE98B, LEU127A, LEU127B, LEU150A, LEU150B, LEU261A, LEU261B, LEU285A, LEU285B, LEU291A, LEU31A, LEU31B, LEU63A, LEU63B, LYS121A, LYS121B, LYS174A, LYS174B, PHE131A, PHE131B, PHE147A, PHE147B, PHE25A, PHE25B, PHE265A, PHE265B, PHE52B, PHE60A, PHE60B, PRO117A, PRO117B, PRO148A, PRO148B, PRO264A, PRO264B, PRO286A, PRO286B, PRO287A, PRO287B, PRO290A, PRO290B, SER123A, SER123B, SER289A, SER289B, SER56A, SER56B, SER61A, SER61B, THR151A, THR151B, THR176A, THR176B, THR263A, THR263B, THR92A, THR92B, THR97A, THR97B, TRP120A, TRP120B, TYR118A, TYR118B, TYR119A, TYR119B, TYR130A, TYR130B, TYR145A, TYR145B, TYR203A, TYR203B, TYR259A, TYR259B, VAL122A, VAL122B, VAL134A, VAL134B, VAL266A, VAL266B, VAL284A, VAL284B
• A-C: ALA181A, ALA181C, ALA243A, ALA243C, ALA245A, ALA245C, ALA246A, ALA246C, ARG184A, ARG184C, ASN209A, ASN209C, ASP178A, ASP178C, ASP204A, ASP204C, ASP205A, ASP205C, ASP241A, ASP241C, GLN250A, GLN250C, GLN254A, GLN254C, GLN257A, GLN257C, GLN260A, GLN260C, GLN305A, GLN305C, GLY214A, GLY214C, GLY215A, GLY215C, GLY240A, GLY240C, GLY247A, GLY247C, HIS182A, HIS182C, HIS188A, HIS188C, HIS206A, HIS206C, HIS249A, HIS249C, ILE177A, ILE177C, ILE187A, ILE187C, ILE255A, ILE255C, LEU183A, LEU183C, LEU211A, LEU211C, LEU212A, LEU212C, LEU213A, LEU213C, LEU252A, LEU252C, LEU253A, LEU253C, LEU302A, LEU302C, LEU306A, LEU306C, LYS244A, LYS244C, MET258A, MET258C, PHE208A, PHE208C, PRO157A, PRO256A, PRO256C, SER179A, SER179C, SER185A, SER185C, THR210A, THR210C, THR251A, THR251C, TRP237A, TRP237C, TYR203A, TYR203C, TYR248A, TYR248C, TYR259A, TYR259C, VAL180A, VAL180C, VAL242A, VAL242C
• B-D: ALA181B, ALA181D, ALA243B, ALA243D, ALA245B, ALA245D, ALA246B, ALA246D, ARG184B, ARG184D, ASN209B, ASN209D, ASP178B, ASP178D, ASP204B, ASP204D, ASP205B, ASP205D, ASP241B, ASP241D, GLN250B, GLN250D, GLN254B, GLN254D, GLN257B, GLN257D, GLN260B, GLN260D, GLN305B, GLN305D, GLY214B, GLY214D, GLY215B, GLY215D, GLY240B, GLY240D, GLY247B, GLY247D, HIS182B, HIS182D, HIS188B, HIS188D, HIS206B, HIS206D, HIS249B, HIS249D, ILE177B, ILE177D, ILE187B, ILE187D, ILE255B, ILE255D, LEU183B, LEU183D, LEU211B, LEU211D, LEU212B, LEU212D, LEU213B, LEU213D, LEU252B, LEU252D, LEU253B, LEU253D, LEU302D, LEU306B, LEU306D, LYS244B, LYS244D, MET258B, MET258D, PHE208B, PHE208D, PRO157D, PRO256B, PRO256D, SER179B, SER179D, SER185B, SER185D, THR210B, THR210D, THR251B, THR251D, TRP237B, TRP237D, TYR203B, TYR203D, TYR248B, TYR248D, TYR259B, TYR259D, VAL180B, VAL180D, VAL242B, VAL242D
• C-D: ALA125C, ALA125D, ALA149C, ALA149D, ALA221C, ALA221D, ALA288C, ALA288D, ALA65C, ALA65D, ALA94C, ALA94D, ARG129C, ARG129D, ARG295C, ARG295D, ARG68C, ARG68D, ARG95C, ARG95D, ASN116C, ASN116D, ASN126C, ASN126D, ASN146D, ASN267C, ASN267D, ASN93C, ASN93D, ASP262C, ASP262D, ASP28C, ASP28D, GLN133C, GLN133D, GLN153C, GLN153D, GLN30C, GLN30D, GLN62C, GLN62D, GLU124C, GLU124D, GLU59C, GLU59D, GLU66C, GLU66D, GLU67C, GLU67D, GLU96C, GLU96D, GLY152C, GLY152D, GLY29C, GLY29D, GLY55C, GLY55D, GLY57C, GLY57D, GLY58C, GLY58D, GLY64C, GLY64D, GLY91C, GLY91D, HIS283C, HIS283D, ILE115C, ILE115D, ILE269C, ILE269D, ILE71C, ILE71D, ILE98C, ILE98D, LEU127C, LEU127D, LEU150C, LEU150D, LEU261C, LEU261D, LEU285C, LEU285D, LEU291C, LEU31C, LEU31D, LEU63C, LEU63D, LYS121C, LYS121D, LYS174C, LYS174D, PHE131C, PHE131D, PHE147C, PHE147D, PHE25C, PHE25D, PHE265C, PHE265D, PHE52C, PHE60C, PHE60D, PRO117C, PRO117D, PRO148C, PRO148D, PRO264C, PRO264D, PRO286C, PRO286D, PRO287C, PRO287D, PRO290C, PRO290D, SER123C, SER123D, SER289C, SER289D, SER56C, SER56D, SER61C, SER61D, THR151C, THR151D, THR176C, THR176D, THR263C, THR263D, THR92C, THR92D, THR97C, THR97D, TRP120C, TRP120D, TYR118C, TYR118D, TYR119C, TYR119D, TYR130C, TYR130D, TYR145C, TYR145D, TYR203C, TYR203D, TYR259C, TYR259D, VAL122C, VAL122D, VAL134C, VAL134D, VAL266C, VAL266D, VAL284C, VAL284D