2Q62

crystal structure of arsh from sinorhizobium meliloti

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 217
  • Norm. En. per Res.: -4.6456
• 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	-102.4956	-64.6739	-327.158	-494.3275	117	14	11	13335	0	21	27
A-C	-3.6604	0.0	-65.6486	-69.309	38	5	0	2338	0	0	2
A-D	-149.5792	-54.5096	-804.005	-1008.0938	217	29	17	31610	12	76	73
B-C	-98.251	-52.6692	-798.874	-949.7942	219	23	17	31174	10	73	70
B-D	0.0	0.0	-49.4375	-49.4375	34	6	0	2024	0	0	2
C-D	-116.065	-54.969	-339.005	-510.039	122	10	14	13638	0	20	28
C-E	-2.2798	-1.9819	-45.9742	-50.2359	38	3	0	2144	0	16	16
D-E	0.0	0.0	-0.5354	-0.5354	8	0	0	92	0	5	2
E-F	-103.6363	-44.8119	-329.897	-478.3452	117	14	11	13486	0	20	27
E-G	0.0	0.0	-59.6235	-59.6235	37	7	0	2210	0	0	3
E-H	-149.6099	-32.7826	-752.353	-934.7456	219	18	16	30348	7	69	64
F-G	-127.3033	-19.8911	-757.248	-904.4424	215	36	16	30593	9	67	66
F-H	0.0	0.0	-53.4943	-53.4943	38	5	0	2255	0	0	2
G-H	-100.5233	-55.9379	-345.203	-501.6642	121	12	12	13674	0	20	28

Interface residues

• A-B: ALA112A, ALA112B, ALA119A, ALA119B, ALA153A, ALA153B, ALA81A, ALA81B, ALA82A, ALA82B, ARG109A, ARG109B, ARG162A, ARG162B, ARG165B, ARG45A, ARG45B, ARG51A, ARG93A, ARG93B, ASN152A, ASN152B, ASN155A, ASN155B, ASP122A, ASP122B, ASP80A, ASP80B, GLN120A, GLN120B, GLN149A, GLN149B, GLN156A, GLN156B, GLU108A, GLU108B, GLY111A, GLY111B, GLY115A, GLY115B, GLY161A, GLY161B, GLY42A, GLY42B, GLY75A, GLY75B, HIS110A, HIS110B, ILE116A, ILE116B, ILE121A, ILE121B, ILE124A, ILE124B, ILE159A, ILE159B, LEU126A, LEU126B, LEU160A, LEU160B, LEU44A, LEU44B, LEU76A, LEU76B, LEU78A, LEU78B, LYS118A, LYS118B, LYS88A, MET113A, MET113B, MET117A, MET117B, MET157A, MET157B, MET164A, MET164B, PHE151A, PHE151B, PHE71A, PRO107A, PRO107B, PRO125A, PRO125B, PRO133B, PRO73A, PRO73B, PRO77A, PRO77B, PRO79A, PRO79B, SER106A, SER106B, SER127A, SER127B, SER150A, SER150B, SER43A, SER43B, SER48A, SER48B, SER74A, SER74B, THR114A, THR114B, THR134A, THR134B, THR46A, THR46B, TRP104A, TRP104B, TRP123A, TRP123B, TRP163A, TRP163B, VAL47A, VAL84A
• A-C: ALA153A, ALA153C, ALA176A, ALA176C, ASN152A, ASN152C, ASN155A, ASN155C, GLN143A, GLN143C, GLN149A, GLN149C, GLN156A, GLN156C, GLN172A, GLN172C, GLU108A, GLU108C, GLY111A, GLY111C, GLY147A, GLY147C, LYS177A, LYS177C, PHE151A, PHE151C, SER145A, SER145C, SER148A, SER148C, SER150A, SER150C, SER174A, SER174C, TYR193A, TYR193C, VAL154A, VAL154C
• A-D: ALA12A, ALA12D, ALA13A, ALA13D, ALA216A, ALA216D, ALA24A, ALA24D, ALA29A, ALA29D, ALA57A, ALA57D, ALA66A, ALA66D, ARG158A, ARG158D, ARG162A, ARG162D, ARG165A, ARG165D, ARG187A, ARG187D, ARG196A, ARG196D, ARG19A, ARG19D, ARG212A, ARG212D, ARG221A, ARG221D, ARG225A, ARG225D, ARG27A, ARG27D, ARG58A, ARG58D, ARG59A, ARG59D, ASN14A, ASN14D, ASN152A, ASN152D, ASN155A, ASN155D, ASN171A, ASN171D, ASN185A, ASN185D, ASP183A, ASP183D, ASP195A, ASP195D, ASP199A, ASP199D, ASP213A, ASP213D, ASP220A, ASP220D, ASP22A, ASP22D, ASP9A, ASP9D, CYS214A, CYS214D, GLN135A, GLN135D, GLN149A, GLN149D, GLN156A, GLN156D, GLN172A, GLN172D, GLN17A, GLN17D, GLU202A, GLU202D, GLU203A, GLU203D, GLU224A, GLU224D, GLU227A, GLU227D, GLU55A, GLU55D, GLU56A, GLU56D, GLU62A, GLU62D, GLY136A, GLY136D, GLY161A, GLY161D, GLY65A, GLY65D, HIS8A, HIS8D, ILE159A, ILE159D, ILE167A, ILE167D, ILE169A, ILE169D, LEU10A, LEU10D, LEU15A, LEU15D, LEU160A, LEU160D, LEU18A, LEU18D, LEU204A, LEU209A, LEU209D, LEU20A, LEU20D, LEU210A, LEU210D, LEU218A, LEU218D, LEU26A, LEU26D, LEU60A, LEU60D, LEU61A, LEU61D, LYS137A, LYS137D, LYS189A, LYS189D, LYS206A, LYS206D, LYS226A, LYS226D, MET157A, MET157D, MET164A, MET164D, MET166A, MET166D, MET188A, MET188D, MET201A, MET201D, PHE151A, PHE151D, PHE207A, PHE207D, PHE30A, PHE30D, PHE63A, PHE63D, PHE64A, PHE64D, PRO11A, PRO11D, PRO170A, PRO170D, PRO190A, PRO190D, PRO21A, PRO21D, PRO28A, PRO28D, PRO35A, PRO35D, SER150A, SER150D, SER173A, SER173D, SER174A, SER174D, SER191A, SER191D, SER192A, SER192D, SER215A, SER215D, SER223A, SER223D, SER23A, SER23D, SER25A, SER25D, SER31A, SER31D, THR138A, THR138D, THR168A, THR168D, THR208A, THR208D, THR211A, THR211D, THR219A, THR219D, THR32A, THR32D, TRP163A, TRP163D, TYR194A, TYR194D, TYR217A, TYR217D, TYR222A, TYR222D, VAL141A, VAL141D, VAL154A, VAL154D, VAL197A, VAL197D, VAL198A, VAL198D, VAL200A, VAL200D, VAL205A, VAL205D
• B-C: ALA12B, ALA12C, ALA13B, ALA13C, ALA216B, ALA216C, ALA24B, ALA24C, ALA29B, ALA29C, ALA57B, ALA57C, ALA66B, ALA66C, ARG158B, ARG158C, ARG162B, ARG162C, ARG165B, ARG165C, ARG187B, ARG187C, ARG196B, ARG196C, ARG19B, ARG19C, ARG212B, ARG212C, ARG221B, ARG221C, ARG225B, ARG225C, ARG27B, ARG27C, ARG58B, ARG58C, ARG59B, ARG59C, ASN14B, ASN14C, ASN152B, ASN152C, ASN155B, ASN155C, ASN171B, ASN171C, ASN185B, ASN185C, ASP183B, ASP183C, ASP195B, ASP195C, ASP199B, ASP199C, ASP213B, ASP213C, ASP220B, ASP220C, ASP22B, ASP22C, ASP9B, ASP9C, CYS214B, CYS214C, GLN135B, GLN135C, GLN149B, GLN149C, GLN156B, GLN156C, GLN16C, GLN172B, GLN172C, GLN17B, GLN17C, GLU181C, GLU202B, GLU202C, GLU203B, GLU203C, GLU224B, GLU224C, GLU227B, GLU227C, GLU55B, GLU55C, GLU56B, GLU56C, GLU62B, GLU62C, GLY136B, GLY136C, GLY161B, GLY161C, GLY65B, GLY65C, HIS8B, ILE159B, ILE159C, ILE167B, ILE167C, ILE169B, ILE169C, LEU10B, LEU10C, LEU15B, LEU15C, LEU160B, LEU160C, LEU18B, LEU18C, LEU204B, LEU204C, LEU209B, LEU209C, LEU20B, LEU20C, LEU210B, LEU210C, LEU218B, LEU218C, LEU26B, LEU26C, LEU60B, LEU60C, LEU61B, LEU61C, LYS137B, LYS137C, LYS189B, LYS189C, LYS206B, LYS206C, LYS226B, LYS226C, MET157B, MET157C, MET164B, MET164C, MET166B, MET166C, MET188B, MET188C, MET201B, MET201C, PHE151B, PHE151C, PHE207B, PHE207C, PHE30B, PHE30C, PHE63B, PHE63C, PHE64B, PHE64C, PRO11B, PRO11C, PRO170B, PRO170C, PRO190B, PRO190C, PRO21B, PRO21C, PRO28B, PRO28C, PRO35B, PRO35C, SER150B, SER150C, SER173B, SER173C, SER174B, SER174C, SER191B, SER191C, SER192B, SER192C, SER215B, SER215C, SER223B, SER223C, SER23B, SER23C, SER25B, SER25C, SER31B, SER31C, THR138B, THR138C, THR168B, THR168C, THR208B, THR208C, THR211B, THR211C, THR219B, THR219C, THR32B, THR32C, TRP163B, TRP163C, TYR194B, TYR194C, TYR217B, TYR217C, TYR222B, TYR222C, VAL141B, VAL141C, VAL154B, VAL154C, VAL197B, VAL197C, VAL198B, VAL198C, VAL200B, VAL200C, VAL205B, VAL205C
• B-D: ALA153D, ALA176B, ALA176D, ASN152B, ASN152D, ASN155B, ASN155D, GLN143D, GLN149B, GLN149D, GLN156B, GLN156D, GLN172B, GLN172D, GLU108B, GLU108D, GLY111B, GLY111D, GLY147B, GLY147D, LYS177B, LYS177D, PHE151B, PHE151D, SER145B, SER145D, SER148B, SER148D, SER150B, SER150D, TYR193B, TYR193D, VAL154B, VAL154D
• C-D: ALA112C, ALA112D, ALA119C, ALA119D, ALA153C, ALA153D, ALA81C, ALA81D, ALA82C, ALA82D, ARG109C, ARG109D, ARG158C, ARG158D, ARG162C, ARG162D, ARG165C, ARG165D, ARG45C, ARG45D, ARG93C, ARG93D, ASN152C, ASN152D, ASN155C, ASN155D, ASP122C, ASP122D, ASP80C, ASP80D, GLN120C, GLN120D, GLN149C, GLN149D, GLN156C, GLN156D, GLU108C, GLU108D, GLY111C, GLY111D, GLY115C, GLY115D, GLY161C, GLY161D, GLY42C, GLY42D, GLY75C, GLY75D, HIS110C, HIS110D, ILE116C, ILE116D, ILE121C, ILE121D, ILE124C, ILE124D, ILE159C, ILE159D, LEU126C, LEU126D, LEU160C, LEU160D, LEU44C, LEU44D, LEU76C, LEU76D, LEU78C, LEU78D, LYS118C, LYS118D, LYS88C, LYS88D, MET113C, MET113D, MET117C, MET117D, MET157C, MET157D, MET164C, MET164D, PHE151C, PHE151D, PHE71C, PHE71D, PRO107C, PRO107D, PRO125C, PRO125D, PRO133D, PRO73C, PRO73D, PRO77C, PRO77D, PRO79C, PRO79D, SER106C, SER106D, SER127C, SER127D, SER150C, SER150D, SER43C, SER43D, SER48C, SER48D, SER74C, SER74D, THR114C, THR114D, THR134C, THR134D, THR46C, THR46D, TRP104C, TRP104D, TRP123C, TRP123D, TRP163C, TRP163D, VAL47C, VAL47D, VAL84C
• C-E: ALA29E, ALA81C, ALA82C, ARG132E, ARG212E, ARG34E, ARG36E, ASP213E, ASP72C, ASP80C, GLN90C, GLU100E, GLU67E, GLU91C, GLU94C, GLU94E, GLY75C, HIS33E, HIS86C, ILE131E, ILE97E, LEU95E, LYS137E, LYS69E, LYS88C, PRO133E, PRO35E, PRO83C, PRO87C, SER130E, SER31E, SER74C, SER85C, SER99E, THR32E, TRP98E, VAL84C, VAL89C
• D-E: ARG19E, GLY129E, ILE131E, LEU44D, PRO87D, SER130E, THR128E, THR46D
• E-F: ALA112E, ALA112F, ALA119E, ALA119F, ALA153E, ALA153F, ALA81E, ALA81F, ALA82E, ALA82F, ARG109E, ARG109F, ARG162E, ARG162F, ARG165E, ARG165F, ARG45E, ARG45F, ARG93E, ARG93F, ASN152E, ASN152F, ASN155E, ASN155F, ASP122E, ASP122F, ASP80E, ASP80F, GLN120E, GLN120F, GLN149E, GLN149F, GLN156E, GLN156F, GLU108E, GLU108F, GLY111E, GLY111F, GLY115E, GLY115F, GLY161E, GLY161F, GLY42E, GLY42F, GLY75E, GLY75F, HIS110E, HIS110F, ILE116E, ILE116F, ILE121E, ILE121F, ILE124E, ILE124F, ILE159E, ILE159F, LEU126E, LEU126F, LEU160E, LEU160F, LEU44E, LEU44F, LEU76E, LEU76F, LEU78E, LEU78F, LYS118E, LYS118F, LYS88F, MET113E, MET113F, MET117E, MET117F, MET157E, MET157F, MET164E, MET164F, PHE151E, PHE151F, PHE71E, PHE71F, PRO107E, PRO107F, PRO125E, PRO125F, PRO133E, PRO73E, PRO73F, PRO77E, PRO77F, PRO79E, PRO79F, SER106E, SER106F, SER127E, SER127F, SER150E, SER150F, SER43E, SER43F, SER48E, SER48F, SER74E, SER74F, THR114E, THR114F, THR134E, THR134F, THR46E, THR46F, TRP104E, TRP104F, TRP123E, TRP123F, TRP163E, TRP163F, VAL47F
• E-G: ALA153E, ALA153G, ALA176E, ALA176G, ASN152E, ASN152G, ASN155E, ASN155G, GLN143E, GLN143G, GLN149E, GLN149G, GLN156E, GLN156G, GLN172E, GLN172G, GLU108E, GLU108G, GLY111E, GLY111G, GLY147E, GLY147G, LYS177E, LYS177G, PHE151E, PHE151G, SER145E, SER145G, SER148E, SER148G, SER150E, SER150G, SER174E, TYR193E, TYR193G, VAL154E, VAL154G
• E-H: ALA12E, ALA12H, ALA13E, ALA13H, ALA216E, ALA216H, ALA24E, ALA24H, ALA29E, ALA29H, ALA57E, ALA57H, ALA66E, ALA66H, ARG158E, ARG158H, ARG162E, ARG162H, ARG165E, ARG165H, ARG187E, ARG187H, ARG196E, ARG196H, ARG19E, ARG19H, ARG212E, ARG212H, ARG221E, ARG221H, ARG225E, ARG225H, ARG27E, ARG27H, ARG34E, ARG34H, ARG58E, ARG58H, ARG59E, ARG59H, ASN14E, ASN14H, ASN152E, ASN152H, ASN155E, ASN155H, ASN171E, ASN171H, ASN185E, ASN185H, ASP183E, ASP183H, ASP195E, ASP195H, ASP199E, ASP199H, ASP213E, ASP213H, ASP220E, ASP220H, ASP22E, ASP22H, ASP9E, ASP9H, CYS214E, CYS214H, GLN135E, GLN135H, GLN149E, GLN149H, GLN156E, GLN156H, GLN16H, GLN172E, GLN172H, GLN17E, GLN17H, GLU202E, GLU202H, GLU203E, GLU203H, GLU224E, GLU224H, GLU227E, GLU227H, GLU55E, GLU55H, GLU56E, GLU56H, GLU62E, GLU62H, GLY136E, GLY136H, GLY161E, GLY161H, GLY65E, GLY65H, ILE159E, ILE159H, ILE167E, ILE167H, ILE169E, ILE169H, LEU10E, LEU10H, LEU15E, LEU15H, LEU160E, LEU160H, LEU18E, LEU18H, LEU204E, LEU204H, LEU209E, LEU209H, LEU20E, LEU20H, LEU210E, LEU210H, LEU218E, LEU218H, LEU26E, LEU26H, LEU60E, LEU60H, LEU61E, LEU61H, LYS137E, LYS137H, LYS189E, LYS189H, LYS206E, LYS206H, LYS226E, LYS226H, MET157E, MET157H, MET164E, MET164H, MET166E, MET166H, MET188E, MET188H, MET201E, MET201H, PHE151E, PHE151H, PHE207E, PHE207H, PHE30E, PHE30H, PHE63E, PHE63H, PHE64E, PHE64H, PRO11E, PRO11H, PRO170E, PRO170H, PRO190E, PRO190H, PRO21E, PRO21H, PRO28E, PRO28H, PRO35E, PRO35H, SER150E, SER150H, SER173E, SER173H, SER174E, SER174H, SER191E, SER191H, SER192E, SER192H, SER215E, SER215H, SER223E, SER223H, SER23E, SER23H, SER25E, SER25H, SER31E, SER31H, THR138E, THR138H, THR168E, THR168H, THR208E, THR208H, THR211E, THR211H, THR219E, THR219H, THR32E, THR32H, TRP163E, TRP163H, TYR194E, TYR194H, TYR217E, TYR217H, TYR222E, TYR222H, VAL141E, VAL141H, VAL154E, VAL154H, VAL197E, VAL197H, VAL198E, VAL198H, VAL200E, VAL200H, VAL205E, VAL205H
• F-G: ALA12F, ALA12G, ALA13F, ALA13G, ALA216F, ALA216G, ALA24F, ALA24G, ALA29F, ALA29G, ALA57F, ALA57G, ALA66F, ALA66G, ARG158F, ARG158G, ARG162F, ARG162G, ARG165F, ARG165G, ARG187F, ARG187G, ARG196F, ARG196G, ARG19F, ARG19G, ARG212F, ARG212G, ARG221F, ARG221G, ARG225F, ARG225G, ARG27F, ARG27G, ARG58F, ARG58G, ARG59F, ARG59G, ASN14F, ASN14G, ASN152F, ASN152G, ASN155F, ASN155G, ASN171F, ASN171G, ASN185F, ASN185G, ASP183F, ASP183G, ASP195F, ASP195G, ASP199F, ASP199G, ASP213F, ASP213G, ASP220F, ASP220G, ASP22F, ASP22G, ASP9F, ASP9G, CYS214F, CYS214G, GLN135F, GLN135G, GLN149F, GLN149G, GLN156F, GLN156G, GLN172F, GLN172G, GLN17F, GLN17G, GLU202F, GLU202G, GLU203F, GLU203G, GLU224F, GLU224G, GLU227F, GLU55F, GLU55G, GLU56F, GLU56G, GLU62F, GLU62G, GLY136F, GLY136G, GLY161F, GLY161G, GLY65F, GLY65G, HIS8G, ILE159F, ILE159G, ILE167F, ILE167G, ILE169F, ILE169G, LEU10F, LEU10G, LEU15F, LEU15G, LEU160F, LEU160G, LEU18F, LEU18G, LEU204G, LEU209F, LEU209G, LEU20F, LEU20G, LEU210F, LEU210G, LEU218F, LEU218G, LEU26F, LEU26G, LEU60F, LEU60G, LEU61F, LEU61G, LYS137F, LYS137G, LYS189F, LYS189G, LYS206F, LYS206G, LYS226F, LYS226G, MET157F, MET157G, MET164F, MET164G, MET166F, MET166G, MET188F, MET188G, MET201F, MET201G, PHE151F, PHE151G, PHE207F, PHE207G, PHE30F, PHE30G, PHE63F, PHE63G, PHE64F, PHE64G, PRO11F, PRO11G, PRO170F, PRO170G, PRO190F, PRO190G, PRO21F, PRO21G, PRO28F, PRO28G, PRO35F, PRO35G, SER150F, SER150G, SER173F, SER173G, SER174F, SER174G, SER191F, SER191G, SER192F, SER192G, SER215F, SER215G, SER223F, SER223G, SER23F, SER23G, SER25F, SER25G, SER31F, SER31G, THR138F, THR138G, THR168F, THR168G, THR208F, THR208G, THR211F, THR211G, THR219F, THR219G, THR32F, THR32G, TRP163F, TRP163G, TYR194F, TYR194G, TYR217F, TYR217G, TYR222F, TYR222G, VAL141F, VAL141G, VAL154F, VAL154G, VAL197F, VAL197G, VAL198F, VAL198G, VAL200F, VAL200G, VAL205F, VAL205G
• F-H: ALA153F, ALA153H, ALA176F, ALA176H, ASN152F, ASN152H, ASN155F, ASN155H, GLN143F, GLN143H, GLN149F, GLN149H, GLN156F, GLN156H, GLN172F, GLN172H, GLU108F, GLU108H, GLY111F, GLY111H, GLY147F, GLY147H, LYS177F, LYS177H, PHE151F, PHE151H, SER145F, SER145H, SER148F, SER148H, SER150F, SER150H, SER174F, SER174H, TYR193F, TYR193H, VAL154F, VAL154H
• G-H: ALA112G, ALA112H, ALA119G, ALA119H, ALA153G, ALA153H, ALA81G, ALA81H, ALA82G, ALA82H, ARG109G, ARG109H, ARG162G, ARG162H, ARG165G, ARG165H, ARG45G, ARG45H, ARG93G, ARG93H, ASN152G, ASN152H, ASN155G, ASN155H, ASP122G, ASP122H, ASP80G, ASP80H, GLN120G, GLN120H, GLN149G, GLN149H, GLN156G, GLN156H, GLU108G, GLU108H, GLY111G, GLY111H, GLY115G, GLY115H, GLY161G, GLY161H, GLY42G, GLY42H, GLY75G, GLY75H, HIS110G, HIS110H, ILE116G, ILE116H, ILE121G, ILE121H, ILE124G, ILE124H, ILE159G, ILE159H, LEU126G, LEU126H, LEU160G, LEU160H, LEU44G, LEU44H, LEU76G, LEU76H, LEU78G, LEU78H, LYS118G, LYS118H, LYS88G, LYS88H, MET113G, MET113H, MET117G, MET117H, MET157G, MET157H, MET164G, MET164H, PHE151G, PHE151H, PHE71G, PHE71H, PRO107G, PRO107H, PRO125G, PRO125H, PRO133G, PRO133H, PRO73G, PRO73H, PRO77G, PRO77H, PRO79G, PRO79H, SER106G, SER106H, SER127G, SER127H, SER150G, SER150H, SER43G, SER43H, SER48G, SER48H, SER74G, SER74H, THR114G, THR114H, THR134G, THR134H, THR46G, THR46H, TRP104G, TRP104H, TRP123G, TRP123H, TRP163G, TRP163H, VAL47G, VAL47H, VAL84H