2YAX

iodoacetamide inhibited sulfur oxygenase reductase

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 49
  • Norm. En. per Res.: -4.1461
• Hub Node: B(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	-178.8916	-14.9819	-664.152	-858.0255	221	23	20	24306	10	40	38
B-C	-28.719	-27.2705	-131.766	-187.7556	47	7	1	4823	2	9	6
B-D	0.0	0.0	-0.732	-0.732	9	0	0	102	0	0	0
B-E	-33.1	8.6348	-312.52	-336.9852	126	6	8	13270	3	28	22
C-E	-169.4547	-14.8437	-674.121	-858.4194	221	25	20	24498	10	38	39
D-E	-36.333	9.6786	-332.055	-358.7094	126	8	10	13770	4	29	22
D-F	-172.6448	-14.9003	-664.102	-851.6472	220	23	20	24398	8	38	38
E-F	-33.3319	-28.3881	-141.437	-203.157	49	9	1	5050	2	9	6

Interface residues

• A-B: ALA105A, ALA105B, ALA11A, ALA11B, ALA214A, ALA214B, ALA241A, ALA241B, ALA61A, ALA61B, ARG274A, ARG274B, ARG291A, ARG291B, ARG57A, ARG57B, ARG73A, ARG73B, ASN15A, ASN15B, ASN223A, ASN223B, ASN233A, ASN233B, ASN243A, ASN243B, ASN56A, ASN56B, ASP278A, ASP278B, ASP282A, ASP282B, CYS101A, CYS104A, CYS104B, GLN107A, GLN107B, GLN175A, GLN175B, GLN211A, GLN211B, GLN219A, GLN219B, GLN246A, GLN246B, GLN247A, GLN247B, GLN275A, GLN275B, GLN48A, GLN48B, GLU114A, GLU114B, GLU12A, GLU12B, GLU165A, GLU165B, GLU16A, GLU16B, GLU201A, GLU201B, GLU222A, GLU222B, GLU240A, GLU240B, GLU279A, GLU279B, GLU68A, GLU68B, GLY111A, GLY111B, GLY171A, GLY171B, GLY203A, GLY203B, GLY206A, GLY206B, GLY208A, GLY208B, GLY213A, GLY213B, GLY216A, GLY216B, GLY225A, GLY225B, GLY265A, GLY265B, GLY287A, GLY287B, GLY50A, GLY50B, GLY55A, GLY55B, GLY59A, GLY59B, GLY60A, GLY60B, HIS166A, HIS166B, HIS218A, HIS218B, HIS277A, HIS277B, ILE109A, ILE109B, ILE169A, ILE169B, ILE290A, ILE290B, ILE51A, ILE51B, LEU13A, LEU13B, LEU221A, LEU221B, LEU268A, LEU268B, LEU269A, LEU269B, LEU281A, LEU281B, LEU284A, LEU284B, LEU52A, LEU52B, LYS14A, LYS14B, LYS172A, LYS172B, LYS215A, LYS215B, LYS242A, LYS242B, LYS62A, LYS62B, LYS67A, LYS67B, MET108A, MET108B, MET210A, MET210B, MET235A, MET235B, MET65A, MET65B, PHE212A, PHE212B, PHE217A, PHE217B, PHE54A, PHE54B, PHE98A, PHE98B, PRO112A, PRO112B, PRO170A, PRO170B, PRO224A, PRO224B, PRO239A, PRO239B, PRO245A, PRO245B, PRO288A, PRO288B, PRO53A, PRO53B, SER103A, SER103B, SER106A, SER106B, SER167A, SER167B, SER205A, SER205B, SER209A, SER209B, SER237A, SER237B, SER69A, SER69B, SER70A, SER70B, THR19A, THR19B, THR244A, THR244B, THR283A, THR283B, THR71A, THR71B, TRP110A, TRP110B, TRP113A, TRP113B, TYR102A, TYR102B, TYR236A, TYR236B, TYR286A, TYR286B, TYR289A, TYR289B, TYR58A, TYR58B, VAL168A, VAL168B, VAL204A, VAL204B, VAL220A, VAL220B, VAL234A, VAL234B, VAL238A, VAL238B, VAL267A, VAL267B, VAL280A, VAL280B, VAL285A, VAL285B
• B-C: ALA105C, ALA35B, ARG36B, ARG99B, ARG99C, ASN223C, ASN93B, ASP230C, GLN219C, GLU21B, GLU222C, GLU228B, GLU228C, GLY216C, GLY225B, GLY225C, HIS218C, LEU100B, LEU221C, LEU227B, LEU227C, LEU97B, LYS18C, LYS215C, LYS29B, MET32B, PHE217C, PHE98B, PHE98C, PRO224C, PRO229C, PRO28B, SER103B, SER106C, SER226B, SER226C, SER25B, SER95B, THR34B, TRP94B, TYR102B, TYR102C, TYR96B, VAL220C, VAL26B, VAL30B, VAL33B
• B-D: ILE152B, ILE152D, MET130B, MET130D, PHE133B, PHE133D, THR134D, VAL137B, VAL137D
• B-E: ALA135B, ALA142B, ALA190E, ALA24B, ALA255E, ALA259E, ALA35B, ARG159E, ARG266E, ARG274E, ARG303B, ARG36B, ARG57E, ASN127B, ASN256E, ASN45B, ASN56E, ASN93B, ASP132B, ASP132E, ASP148E, ASP258E, GLN154B, GLN154E, GLN275E, GLU129B, GLU143B, GLU21B, GLU272E, GLU298B, GLU304B, GLU308B, GLY138B, GLY144B, GLY144E, GLY157B, GLY192E, GLY263E, GLY265E, GLY27B, GLY299B, GLY39B, GLY42B, GLY55E, GLY59E, HIS37B, ILE126B, ILE149B, ILE149E, ILE152B, ILE152E, LEU100B, LEU147E, LEU194E, LEU260E, LEU268E, LEU269E, LEU273E, LYS139B, LYS140B, LYS140E, LYS145E, LYS158B, LYS158E, LYS188E, LYS189E, LYS29B, LYS81B, MET130B, MET130E, MET186E, MET22B, MET261E, MET264E, MET296B, MET297B, MET32B, PHE133B, PHE133E, PHE141B, PHE141E, PHE193E, PHE23B, PHE262E, PHE301B, PHE40B, PHE43B, PHE54E, PRO125E, PRO146B, PRO146E, PRO150E, PRO155B, PRO191E, PRO271E, PRO28B, PRO38B, PRO53E, SER153B, SER153E, SER25B, THR128B, THR128E, THR131B, THR134B, THR134E, THR257E, THR300B, THR34B, TRP254E, TRP302B, TRP80B, TYR156B, TYR270E, TYR305B, VAL136B, VAL136E, VAL137B, VAL137E, VAL151E, VAL160E, VAL267E, VAL26B, VAL30B, VAL33B, VAL41B
• C-E: ALA105C, ALA105E, ALA11C, ALA11E, ALA214C, ALA214E, ALA241C, ALA241E, ALA61C, ALA61E, ARG274C, ARG274E, ARG291C, ARG291E, ARG57C, ARG57E, ARG73C, ARG73E, ASN15C, ASN15E, ASN223C, ASN223E, ASN233C, ASN233E, ASN243C, ASN243E, ASN56C, ASN56E, ASP278C, ASP278E, ASP282C, ASP282E, CYS101E, CYS104C, CYS104E, GLN107C, GLN107E, GLN175C, GLN175E, GLN211C, GLN211E, GLN219C, GLN219E, GLN246C, GLN246E, GLN247C, GLN247E, GLN275C, GLN275E, GLN48C, GLN48E, GLU114C, GLU114E, GLU12C, GLU12E, GLU165C, GLU165E, GLU16C, GLU16E, GLU201C, GLU201E, GLU222C, GLU222E, GLU240C, GLU240E, GLU279C, GLU279E, GLU68C, GLU68E, GLY111C, GLY111E, GLY171C, GLY171E, GLY203C, GLY203E, GLY206C, GLY206E, GLY208C, GLY208E, GLY213C, GLY213E, GLY216C, GLY216E, GLY225C, GLY225E, GLY265C, GLY265E, GLY287C, GLY287E, GLY50C, GLY50E, GLY55C, GLY55E, GLY59C, GLY59E, GLY60C, GLY60E, HIS166C, HIS166E, HIS218C, HIS218E, HIS277C, HIS277E, ILE109C, ILE109E, ILE169C, ILE169E, ILE290C, ILE290E, ILE51C, ILE51E, LEU13C, LEU13E, LEU221C, LEU221E, LEU268C, LEU268E, LEU269C, LEU269E, LEU281C, LEU281E, LEU284C, LEU284E, LEU52C, LEU52E, LYS14C, LYS14E, LYS172C, LYS172E, LYS215C, LYS215E, LYS242C, LYS242E, LYS62C, LYS62E, LYS67C, LYS67E, MET108C, MET108E, MET210C, MET210E, MET235C, MET235E, MET65C, MET65E, PHE212C, PHE212E, PHE217C, PHE217E, PHE54C, PHE54E, PHE98C, PHE98E, PRO112C, PRO112E, PRO170C, PRO170E, PRO224C, PRO224E, PRO239C, PRO239E, PRO245C, PRO245E, PRO288C, PRO288E, PRO53C, PRO53E, SER103C, SER103E, SER106C, SER106E, SER167C, SER167E, SER205C, SER205E, SER209C, SER209E, SER237C, SER237E, SER69C, SER69E, SER70C, SER70E, THR19C, THR19E, THR244C, THR244E, THR283C, THR283E, THR71C, THR71E, TRP110C, TRP110E, TRP113C, TRP113E, TYR102C, TYR102E, TYR236C, TYR236E, TYR286C, TYR286E, TYR289C, TYR289E, TYR58C, TYR58E, VAL168C, VAL168E, VAL204C, VAL204E, VAL220C, VAL220E, VAL234C, VAL234E, VAL238C, VAL238E, VAL267C, VAL267E, VAL280C, VAL280E, VAL285C, VAL285E
• D-E: ALA135E, ALA142E, ALA190D, ALA24E, ALA255D, ALA259D, ALA35E, ARG159D, ARG159E, ARG266D, ARG274D, ARG303E, ARG36E, ARG57D, ASN127E, ASN256D, ASN45E, ASN56D, ASN93E, ASP132D, ASP132E, ASP148D, ASP258D, GLN154D, GLN154E, GLN275D, GLU129E, GLU143E, GLU21E, GLU272D, GLU298E, GLU304E, GLU308E, GLY138E, GLY144D, GLY144E, GLY157E, GLY192D, GLY263D, GLY265D, GLY27E, GLY299E, GLY39E, GLY42E, GLY55D, GLY59D, HIS37E, ILE126E, ILE149D, ILE149E, ILE152D, ILE152E, LEU100E, LEU147D, LEU194D, LEU260D, LEU268D, LEU269D, LEU273D, LYS139E, LYS140D, LYS140E, LYS145D, LYS158D, LYS158E, LYS188D, LYS189D, LYS29E, LYS81E, MET130D, MET130E, MET186D, MET261D, MET264D, MET296E, MET297E, MET32E, PHE133D, PHE133E, PHE141D, PHE141E, PHE193D, PHE23E, PHE262D, PHE301E, PHE40E, PHE43E, PHE54D, PRO125D, PRO146D, PRO146E, PRO150D, PRO155E, PRO191D, PRO271D, PRO28E, PRO38E, PRO53D, SER153D, SER153E, SER25E, THR128D, THR128E, THR131E, THR134D, THR134E, THR257D, THR300E, THR34E, TRP254D, TRP302E, TRP80E, TYR156E, TYR270D, TYR305E, VAL136D, VAL136E, VAL137D, VAL137E, VAL151D, VAL160D, VAL267D, VAL26E, VAL30E, VAL33E, VAL41E
• D-F: ALA105D, ALA105F, ALA11D, ALA11F, ALA214D, ALA214F, ALA241D, ALA241F, ALA61D, ALA61F, ARG274D, ARG274F, ARG291D, ARG291F, ARG57D, ARG57F, ARG73D, ARG73F, ASN15D, ASN15F, ASN223D, ASN223F, ASN233D, ASN233F, ASN243D, ASN243F, ASN56D, ASN56F, ASP278D, ASP278F, ASP282D, ASP282F, CYS101D, CYS104D, CYS104F, GLN107D, GLN107F, GLN175D, GLN175F, GLN211D, GLN211F, GLN219D, GLN219F, GLN246D, GLN246F, GLN247D, GLN247F, GLN275D, GLN275F, GLN48D, GLN48F, GLU114D, GLU114F, GLU12D, GLU12F, GLU165D, GLU165F, GLU16D, GLU16F, GLU201D, GLU201F, GLU222D, GLU222F, GLU240D, GLU240F, GLU279D, GLU279F, GLU68D, GLU68F, GLY111D, GLY111F, GLY171D, GLY171F, GLY203D, GLY203F, GLY206D, GLY206F, GLY208D, GLY208F, GLY213D, GLY213F, GLY216D, GLY216F, GLY225F, GLY265D, GLY265F, GLY287D, GLY287F, GLY50D, GLY50F, GLY55D, GLY55F, GLY59D, GLY59F, GLY60D, GLY60F, HIS166D, HIS166F, HIS218D, HIS218F, HIS277D, HIS277F, ILE109D, ILE109F, ILE169D, ILE169F, ILE290D, ILE290F, ILE51D, ILE51F, LEU13D, LEU13F, LEU221D, LEU221F, LEU268D, LEU268F, LEU269D, LEU269F, LEU281D, LEU281F, LEU284D, LEU284F, LEU52D, LEU52F, LYS14D, LYS14F, LYS172D, LYS172F, LYS215D, LYS215F, LYS242D, LYS242F, LYS62D, LYS62F, LYS67D, LYS67F, MET108D, MET108F, MET210D, MET210F, MET235D, MET235F, MET65D, MET65F, PHE212D, PHE212F, PHE217D, PHE217F, PHE54D, PHE54F, PHE98D, PHE98F, PRO112D, PRO112F, PRO170D, PRO170F, PRO224D, PRO224F, PRO239D, PRO239F, PRO245D, PRO245F, PRO288D, PRO288F, PRO53D, PRO53F, SER103D, SER103F, SER106D, SER106F, SER167D, SER167F, SER205D, SER205F, SER209D, SER209F, SER237D, SER237F, SER69D, SER69F, SER70D, SER70F, THR19D, THR19F, THR244D, THR244F, THR283D, THR283F, THR71D, THR71F, TRP110D, TRP110F, TRP113D, TRP113F, TYR102D, TYR102F, TYR236D, TYR236F, TYR286D, TYR286F, TYR289D, TYR289F, TYR58D, TYR58F, VAL168D, VAL168F, VAL204D, VAL204F, VAL220D, VAL220F, VAL234D, VAL234F, VAL238D, VAL238F, VAL267D, VAL267F, VAL280D, VAL280F, VAL285D, VAL285F
• E-F: ALA105F, ALA214F, ALA35E, ARG36E, ARG99E, ARG99F, ASN223F, ASN93E, ASP230F, CYS101E, GLN219F, GLU21E, GLU222F, GLU228E, GLU228F, GLY216F, GLY225E, GLY225F, HIS218F, LEU100E, LEU221F, LEU227E, LEU227F, LEU97E, LYS18F, LYS215F, LYS29E, MET32E, PHE217F, PHE98E, PHE98F, PRO224F, PRO229F, PRO28E, SER103E, SER106F, SER226E, SER226F, SER25E, SER95E, THR34E, TRP94E, TYR102E, TYR102F, TYR96E, VAL220F, VAL26E, VAL30E, VAL33E