1ODS

cephalosporin c deacetylase from bacillus subtilis

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: E-H
  • Int. Res.: 42
  • Norm. En. per Res.: -4.8998
• Hub Node: C(4)

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	-40.4448	-30.2922	-188.971	-259.708	86	5	3	8310	1	38	25
A-C	-5.1597	-21.7427	-15.3444	-42.2468	13	1	0	523	2	12	10
A-D	-8.7899	18.2151	-48.4619	-39.0367	30	1	0	1761	0	14	20
B-C	0.0	0.0	-0.5111	-0.5111	7	0	0	46	0	9	7
B-D	-7.2856	-22.4354	-16.3239	-46.0449	14	2	0	613	2	12	10
C-D	-36.2644	-30.8582	-195.341	-262.4636	86	4	3	8301	2	38	24
C-F	-8.2658	-72.7506	-100.616	-181.6324	42	1	1	3476	5	7	6
C-G	-15.0209	-73.0148	-101.721	-189.7567	44	2	1	3463	5	7	6
C-H	-142.488	-6.2194	-381.71	-530.4174	111	18	1	12545	0	28	41
D-E	-15.2336	-75.8222	-105.811	-196.8668	45	2	1	3549	5	7	6
D-F	-146.7423	-5.7979	-386.363	-538.9032	110	24	0	12676	0	28	41
D-H	-25.1791	-71.8337	-104.0	-201.0128	43	1	1	3511	5	7	6
E-F	-39.6589	-42.5087	-207.953	-290.1205	86	7	3	8616	5	40	24
E-G	-150.8027	-5.6137	-380.261	-536.6774	110	24	0	12605	0	28	40
E-H	-21.9921	-73.9874	-109.814	-205.7935	42	4	1	3649	5	8	6
F-G	-8.5779	-70.4235	-108.003	-187.0043	44	3	1	3614	5	7	7
G-H	-48.7498	-50.0387	-203.565	-302.3534	87	5	3	8517	6	39	26

Interface residues

• A-B: ALA106A, ALA106B, ALA303A, ALA303B, ALA310A, ALA310B, ALA51A, ALA51B, ASN104A, ASN104B, ASP48A, ASP48B, ASP52A, ASP52B, ASP96A, ASP96B, GLN305A, GLN305B, GLN314A, GLN314B, GLU101A, GLU101B, GLU299A, GLU299B, GLU307A, GLU307B, GLU98A, GLU98B, GLY109A, GLY109B, GLY53A, GLY53B, GLY97A, GLY97B, HIS100A, HIS100B, HIS108A, HIS108B, ILE301A, ILE301B, ILE99A, ILE99B, LEU107A, LEU107B, LEU309A, LEU309B, LYS308A, LYS308B, LYS313A, LYS313B, LYS317A, LYS317B, LYS78A, LYS78B, PHE296A, PHE296B, PHE304A, PHE304B, PHE311A, PHE311B, PHE312A, PHE312B, PRO302A, PRO302B, PRO50A, PRO50B, SER94A, SER94B, THR306A, THR306B, TRP105A, TRP105B, TYR110A, TYR110B, TYR295A, TYR295B, TYR300A, TYR300B, TYR49A, TYR49B, TYR95A, TYR95B, VAL103A, VAL103B, VAL54A, VAL54B
• A-C: ALA310C, ASP77A, GLN314C, GLU79A, GLY53A, GLY80A, HIS315C, LYS287C, LYS313C, LYS317C, LYS55A, LYS78A, PHE311C
• A-D: ALA51A, ALA51D, ARG58A, ASP48A, ASP48D, ASP52A, ASP52D, ASP77A, ASP77D, GLN45A, GLN45D, GLY53A, GLY53D, LEU44A, LEU44D, LYS55A, LYS55D, PRO46A, PRO46D, PRO50A, PRO50D, TYR49A, TYR49D, TYR57A, TYR57D, VAL47A, VAL47D, VAL54A, VAL56A, VAL56D
• B-C: ARG174C, GLU79B, GLU79C, GLY80B, GLY80C, PRO81B, PRO81C
• B-D: ALA310B, ASP77D, GLN314B, GLU79D, GLY53D, GLY80D, HIS315B, LYS287B, LYS313B, LYS317B, LYS55D, LYS78D, PHE311B, PRO76D
• C-D: ALA106C, ALA106D, ALA303C, ALA303D, ALA310C, ALA310D, ALA51C, ALA51D, ASN104C, ASN104D, ASP48C, ASP48D, ASP52C, ASP52D, ASP96C, ASP96D, GLN305C, GLN305D, GLN314C, GLN314D, GLU101C, GLU101D, GLU299C, GLU299D, GLU307C, GLU307D, GLU98C, GLU98D, GLY109C, GLY109D, GLY53C, GLY53D, GLY97C, GLY97D, HIS100C, HIS100D, HIS108C, HIS108D, ILE301C, ILE301D, ILE99C, ILE99D, LEU107C, LEU107D, LEU309C, LEU309D, LYS308C, LYS308D, LYS313C, LYS313D, LYS317C, LYS317D, LYS78C, LYS78D, PHE296C, PHE296D, PHE304C, PHE304D, PHE311C, PHE311D, PHE312C, PHE312D, PRO302C, PRO302D, PRO50C, PRO50D, SER94C, SER94D, THR306C, THR306D, TRP105C, TRP105D, TYR110C, TYR110D, TYR295C, TYR295D, TYR300C, TYR300D, TYR49C, TYR49D, TYR95C, TYR95D, VAL103C, VAL103D, VAL54C, VAL54D
• C-F: ALA213F, ALA217F, ALA303C, ARG212F, ARG230F, ARG231F, ARG294C, ASN226F, ASN232F, ASP215F, GLN2C, GLU211F, GLU219F, GLU238F, GLU299C, GLY233F, GLY266C, GLY297C, HIS298C, ILE214F, ILE225F, ILE268C, ILE301C, LEU218F, LEU223F, LEU3C, LYS270C, MET242F, PHE228F, PHE229F, PHE296C, PHE4F, PRO235F, PRO273F, PRO302C, SER227F, SER234F, TYR222F, TYR293C, TYR295C, TYR300C, VAL216F
• C-G: ALA213C, ALA217C, ALA303G, ARG212C, ARG230C, ARG231C, ARG294G, ASN226C, ASN232C, ASP215C, GLN2G, GLU211C, GLU219C, GLU238C, GLU299G, GLY233C, GLY266G, GLY297G, HIS298G, ILE214C, ILE225C, ILE268G, ILE301G, LEU218C, LEU223C, LEU3G, LYS270C, LYS270G, MET242C, PHE228C, PHE229C, PHE296G, PHE4C, PHE4G, PRO235C, PRO273C, PRO302G, SER227C, SER234C, TYR222C, TYR293G, TYR295G, TYR300G, VAL216C
• C-H: ALA134C, ALA134H, ALA67C, ALA67H, ALA93C, ALA93H, ARG118C, ARG118H, ARG230C, ARG230H, ARG231C, ARG231H, ARG58C, ARG58H, ARG68C, ARG68H, ASN226C, ASN226H, ASN232C, ASN232H, ASN66H, ASN92C, ASN92H, ASP125C, ASP125H, ASP96C, ASP96H, GLN120C, GLN120H, GLN121C, GLN121H, GLU124C, GLU124H, GLU220C, GLU220H, GLU224C, GLU224H, GLU98C, GLU98H, GLY119C, GLY119H, GLY132C, GLY132H, GLY136C, GLY136H, GLY141C, GLY141H, GLY233C, GLY233H, GLY65C, GLY65H, GLY90C, GLY90H, GLY97C, GLY97H, HIS131C, HIS131H, HIS133C, HIS133H, ILE128C, ILE128H, LEU116C, LEU116H, LEU135C, LEU135H, LEU143C, LEU143H, LYS140C, LYS140H, MET138C, MET138H, PHE228C, PHE228H, PHE229C, PHE229H, PRO130C, PRO130H, PRO221C, PRO221H, SER122C, SER122H, SER123C, SER123H, SER127C, SER127H, SER129C, SER129H, SER227C, SER227H, SER234C, SER234H, SER94C, SER94H, THR126C, THR126H, THR139C, THR139H, THR237C, THR237H, THR70C, THR70H, TRP137C, TRP137H, TYR149C, TYR149H, TYR91C, TYR91H, TYR95C, TYR95H, VAL117C, VAL117H
• D-E: ALA213D, ALA217D, ALA241D, ALA303E, ARG212D, ARG230D, ARG231D, ARG294E, ASN226D, ASN232D, ASP215D, GLN2E, GLU211D, GLU219D, GLU238D, GLU299E, GLY233D, GLY266E, GLY297E, HIS298E, ILE214D, ILE225D, ILE268E, ILE301E, LEU218D, LEU223D, LEU3E, LYS270E, LYS291E, MET242D, PHE228D, PHE229D, PHE296E, PHE4D, PHE4E, PRO235D, PRO273D, PRO302E, SER227D, SER234D, TYR222D, TYR293E, TYR295E, TYR300E, VAL216D
• D-F: ALA134D, ALA134F, ALA67D, ALA67F, ALA93D, ALA93F, ARG118D, ARG118F, ARG230D, ARG230F, ARG231D, ARG231F, ARG58D, ARG58F, ARG68D, ARG68F, ASN226D, ASN226F, ASN232D, ASN232F, ASN92D, ASN92F, ASP125D, ASP125F, ASP96D, ASP96F, GLN120D, GLN120F, GLN121D, GLN121F, GLU124D, GLU124F, GLU220D, GLU220F, GLU224D, GLU224F, GLU98D, GLU98F, GLY119D, GLY119F, GLY132D, GLY132F, GLY136D, GLY136F, GLY141D, GLY141F, GLY233D, GLY233F, GLY65D, GLY65F, GLY90D, GLY90F, GLY97D, GLY97F, HIS131D, HIS131F, HIS133D, HIS133F, ILE128D, ILE128F, LEU116D, LEU116F, LEU135D, LEU135F, LEU143D, LEU143F, LYS140D, LYS140F, MET138D, MET138F, PHE228D, PHE228F, PHE229D, PHE229F, PRO130D, PRO130F, PRO221D, PRO221F, SER122D, SER122F, SER123D, SER123F, SER127D, SER127F, SER129D, SER129F, SER227D, SER227F, SER234D, SER234F, SER94D, SER94F, THR126D, THR126F, THR139D, THR139F, THR237D, THR237F, THR70D, THR70F, TRP137D, TRP137F, TYR149D, TYR149F, TYR91D, TYR91F, TYR95D, TYR95F, VAL117D, VAL117F
• D-H: ALA213H, ALA217H, ALA303D, ARG212H, ARG230H, ARG231H, ARG294D, ASN226H, ASN232H, ASP215H, GLN2D, GLU211H, GLU219H, GLU238H, GLU299D, GLY233H, GLY266D, GLY297D, HIS298D, ILE214H, ILE225H, ILE268D, ILE301D, LEU218H, LEU223H, LEU3D, LYS270D, MET242H, PHE228H, PHE229H, PHE296D, PHE4D, PHE4H, PRO235H, PRO273H, PRO302D, SER227H, SER234H, TYR222H, TYR293D, TYR295D, TYR300D, VAL216H
• E-F: ALA106E, ALA106F, ALA303E, ALA303F, ALA310E, ALA310F, ALA51E, ALA51F, ASN104E, ASN104F, ASP48E, ASP48F, ASP52E, ASP52F, ASP96E, ASP96F, GLN305E, GLN305F, GLN314E, GLN314F, GLU101E, GLU101F, GLU299E, GLU299F, GLU307E, GLU307F, GLU98E, GLU98F, GLY109E, GLY109F, GLY53E, GLY53F, GLY97E, GLY97F, HIS100E, HIS100F, HIS108E, HIS108F, ILE301E, ILE301F, ILE99E, ILE99F, LEU107E, LEU107F, LEU309E, LEU309F, LYS308E, LYS308F, LYS313E, LYS313F, LYS317E, LYS317F, LYS78E, LYS78F, PHE296E, PHE296F, PHE304E, PHE304F, PHE311E, PHE311F, PHE312E, PHE312F, PRO302E, PRO302F, PRO50E, PRO50F, SER94E, SER94F, THR306E, THR306F, TRP105E, TRP105F, TYR110E, TYR110F, TYR295E, TYR295F, TYR300E, TYR300F, TYR49E, TYR49F, TYR95E, TYR95F, VAL103E, VAL103F, VAL54E, VAL54F
• E-G: ALA134E, ALA134G, ALA67E, ALA67G, ALA93E, ALA93G, ARG118E, ARG118G, ARG230E, ARG230G, ARG231E, ARG231G, ARG58E, ARG58G, ARG68E, ARG68G, ASN226E, ASN226G, ASN232E, ASN232G, ASN92E, ASN92G, ASP125E, ASP125G, ASP96E, ASP96G, GLN120E, GLN120G, GLN121E, GLN121G, GLU124E, GLU124G, GLU220E, GLU220G, GLU224E, GLU224G, GLU98E, GLU98G, GLY119E, GLY119G, GLY132E, GLY132G, GLY136E, GLY136G, GLY141E, GLY141G, GLY233E, GLY233G, GLY65E, GLY65G, GLY90E, GLY90G, GLY97E, GLY97G, HIS131E, HIS131G, HIS133E, HIS133G, ILE128E, ILE128G, LEU116E, LEU116G, LEU135E, LEU135G, LEU143E, LEU143G, LYS140E, LYS140G, MET138E, MET138G, PHE228E, PHE228G, PHE229E, PHE229G, PRO130E, PRO130G, PRO221E, PRO221G, SER122E, SER122G, SER123E, SER123G, SER127E, SER127G, SER129E, SER129G, SER227E, SER227G, SER234E, SER234G, SER94E, SER94G, THR126E, THR126G, THR139E, THR139G, THR237E, THR237G, THR70E, THR70G, TRP137E, TRP137G, TYR149E, TYR149G, TYR91E, TYR91G, TYR95E, TYR95G, VAL117E, VAL117G
• E-H: ALA213E, ALA217E, ALA303H, ARG212E, ARG230E, ARG231E, ARG294H, ASN226E, ASN232E, ASP215E, GLN2H, GLU211E, GLU219E, GLU238E, GLU299H, GLY233E, GLY266H, GLY297H, HIS298H, ILE214E, ILE225E, ILE268H, ILE301H, LEU218E, LEU223E, LEU3H, LYS270H, MET242E, PHE228E, PHE229E, PHE296H, PHE4E, PRO235E, PRO273E, PRO302H, SER227E, SER234E, TYR222E, TYR293H, TYR295H, TYR300H, VAL216E
• F-G: ALA213G, ALA217G, ALA303F, ARG212G, ARG230G, ARG231G, ARG294F, ASN226G, ASN232G, ASP215G, GLN2F, GLU211G, GLU219G, GLU238G, GLU299F, GLY233G, GLY266F, GLY297F, HIS298F, ILE214G, ILE225G, ILE268F, ILE301F, LEU218G, LEU223G, LEU3F, LYS270F, MET242G, PHE210G, PHE228G, PHE229G, PHE296F, PHE4F, PHE4G, PRO235G, PRO273G, PRO302F, SER227G, SER234G, TYR222G, TYR293F, TYR295F, TYR300F, VAL216G
• G-H: ALA106G, ALA106H, ALA303G, ALA303H, ALA310G, ALA310H, ALA51G, ALA51H, ASN104G, ASN104H, ASP48G, ASP48H, ASP52G, ASP52H, ASP77G, ASP96G, ASP96H, GLN305G, GLN305H, GLN314G, GLN314H, GLU101G, GLU101H, GLU299G, GLU299H, GLU307G, GLU307H, GLU98G, GLU98H, GLY109G, GLY109H, GLY53G, GLY53H, GLY97G, GLY97H, HIS100G, HIS100H, HIS108G, HIS108H, ILE301G, ILE301H, ILE99G, ILE99H, LEU107G, LEU107H, LEU309G, LEU309H, LYS308G, LYS308H, LYS313G, LYS313H, LYS317G, LYS317H, LYS78G, LYS78H, PHE296G, PHE296H, PHE304G, PHE304H, PHE311G, PHE311H, PHE312G, PHE312H, PRO302G, PRO302H, PRO50G, PRO50H, SER94G, SER94H, THR306G, THR306H, TRP105G, TRP105H, TYR110G, TYR110H, TYR295G, TYR295H, TYR300G, TYR300H, TYR49G, TYR49H, TYR95G, TYR95H, VAL103G, VAL103H, VAL54G, VAL54H