3IG4

structure of a putative aminopeptidase p from bacillus anthracis

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 202
  • Norm. En. per Res.: -3.3339
• Hub Node: A(5)

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	-52.9812	-114.1006	-470.063	-637.1448	192	10	8	17878	10	127	109
A-C	-18.4641	-4.5323	-172.392	-195.3884	75	17	0	7644	1	24	31
A-D	0.0	0.0	-1.1887	-1.1887	4	5	0	128	0	0	2
A-E	-17.3767	-9.9072	-200.383	-227.6669	75	11	0	7912	1	25	31
A-F	0.0	1.4895	-0.3825	1.107	25	0	0	106	0	19	18
B-C	0.0	1.3363	-0.3231	1.0133	16	0	0	88	0	14	16
B-D	-16.2536	-3.488	-181.15	-200.8916	78	15	0	7795	1	26	31
B-E	0.0	0.0	-2.633	-2.633	2	3	0	116	0	0	2
B-F	-29.5895	-9.1532	-198.764	-237.5067	79	15	0	7903	2	25	30
C-D	-71.7117	-119.7609	-481.973	-673.4456	202	16	9	18476	10	126	109
C-E	-29.1673	-13.4111	-200.752	-243.3303	77	12	0	8038	1	25	31
C-F	0.0	0.0	-0.989	-0.989	3	5	0	130	0	0	2
D-E	0.0	1.2198	-0.2594	0.9604	20	0	0	87	0	14	15
D-F	-11.385	7.2637	-199.614	-203.7353	75	13	1	7920	0	24	30
E-F	-55.9057	-116.588	-463.323	-635.8167	197	8	9	17852	9	126	107

Interface residues

• A-B: ALA144A, ALA144B, ALA209A, ALA209B, ALA224A, ALA224B, ALA30A, ALA30B, ALA35A, ALA35B, ALA37A, ALA37B, ARG133A, ARG133B, ARG169A, ARG169B, ARG382A, ARG45A, ARG45B, ASN193A, ASN193B, ASN226A, ASN226B, ASN243A, ASN243B, ASN265A, ASN265B, ASN44A, ASN44B, ASN46A, ASN46B, ASP212A, ASP212B, ASP242A, ASP242B, ASP244A, ASP244B, ASP348A, ASP348B, ASP351A, ASP351B, ASP36A, ASP36B, CYS132B, GLN210A, GLN210B, GLN29A, GLN29B, GLU111A, GLU111B, GLU131A, GLU131B, GLU134A, GLU134B, GLU139A, GLU139B, GLU204A, GLU204B, GLU206A, GLU206B, GLU208A, GLU208B, GLU241A, GLU241B, GLU375A, GLU375B, GLU83A, GLU83B, GLY137A, GLY137B, GLY219A, GLY219B, GLY340A, GLY340B, GLY87A, GLY87B, HIS148B, HIS197A, HIS197B, HIS222A, HIS222B, HIS223A, HIS223B, HIS239A, HIS239B, HIS32A, HIS32B, HIS339A, HIS339B, HIS343A, HIS343B, HIS350A, HIS350B, HIS38A, HIS38B, ILE220A, ILE220B, ILE228A, ILE228B, LEU143A, LEU143B, LEU207A, LEU207B, LEU215A, LEU215B, LEU229A, LEU229B, LEU238A, LEU238B, LEU347A, LEU347B, LYS136A, LYS136B, LYS141A, LYS141B, LYS147A, LYS147B, LYS216A, LYS216B, LYS221A, LYS221B, LYS233A, LYS335A, LYS335B, LYS40A, LYS40B, LYS84A, LYS84B, LYS88A, LYS88B, PHE211A, PHE211B, PHE213A, PHE213B, PHE225A, PHE225B, PHE41A, PHE41B, PRO31A, PRO31B, PRO43A, PRO43B, SER217A, SER217B, SER218A, SER218B, SER334A, SER334B, SER34A, SER34B, THR138A, THR138B, THR140A, THR140B, THR142A, THR142B, THR214A, THR214B, THR227A, THR227B, THR236A, THR236B, THR349A, THR349B, TRP85A, TRP85B, TYR162A, TYR162B, TYR205A, TYR205B, TYR240A, TYR240B, TYR336A, TYR336B, TYR337A, TYR337B, TYR338A, TYR338B, TYR373A, TYR373B, TYR39A, TYR39B, VAL237A, VAL237B, VAL352A, VAL352B, VAL42A, VAL42B, VAL81A, VAL81B, VAL86A, VAL86B
• A-C: ALA144A, ALA144C, ALA146A, ALA146C, ARG133A, ARG150A, ARG150C, ASN116C, ASN122C, ASN160A, ASN164A, ASN46A, ASP129A, CYS132A, CYS166A, GLN152C, GLU111C, GLU121C, GLU131A, GLU134A, GLU139A, GLU151A, GLU151C, GLU70C, GLY137A, GLY159A, GLY353A, HIS125A, HIS148C, HIS155C, ILE117C, ILE158A, ILE24C, LEU126A, LEU126C, LEU128A, LEU128C, LEU130A, LEU143A, LYS112C, LYS124C, LYS136A, LYS147A, LYS147C, LYS356A, LYS63C, PHE110C, PHE118C, PHE119C, PHE145A, PHE145C, PHE26C, PHE65C, PRO154C, PRO163A, SER115C, SER68C, THR113C, THR120C, THR138A, THR140A, THR142A, THR157A, THR157C, THR354A, TRP135A, TYR127A, TYR153C, TYR162A, TYR355A, VAL149A, VAL149C, VAL156C, VAL161A, VAL352A
• A-D: LYS136A, LYS136D, TRP135A, TRP135D
• A-E: ALA144A, ALA144E, ALA146A, ALA146E, ARG133E, ARG150A, ARG150E, ASN116A, ASN122A, ASN160E, ASN164E, ASN46E, ASP129E, CYS132E, CYS166E, GLN152A, GLU111A, GLU121A, GLU131E, GLU134E, GLU139E, GLU151A, GLU151E, GLU70A, GLY137E, GLY159E, GLY353E, HIS125E, HIS148A, HIS155A, ILE117A, ILE158E, ILE24A, LEU126A, LEU126E, LEU128A, LEU128E, LEU130E, LEU143E, LYS112A, LYS124A, LYS136E, LYS147A, LYS147E, LYS356E, LYS63A, PHE110A, PHE118A, PHE119A, PHE145A, PHE145E, PHE26A, PHE65A, PRO154A, PRO163E, SER115A, SER68A, THR113A, THR120A, THR138E, THR140E, THR142E, THR157A, THR157E, THR354E, TRP135E, TYR127E, TYR153A, TYR162E, TYR355E, VAL149A, VAL149E, VAL156A, VAL161E, VAL352E
• A-F: ALA35A, ALA35F, ASP108A, ASP108F, ASP36A, ASP36F, GLN152A, GLN152F, GLU111A, GLU111F, GLU139A, GLU139F, GLU151A, GLU151F, HIS32A, HIS32F, LYS112A, LYS112F, LYS141A, LYS147A, LYS147F, PHE119A, PHE119F, VAL81A, VAL81F
• B-C: ALA35B, ALA35C, ASP108B, ASP108C, ASP36B, ASP36C, GLU111B, GLU111C, GLU151B, GLU151C, HIS32B, HIS32C, LYS147B, LYS147C, PHE119B, PHE119C
• B-D: ALA144B, ALA144D, ALA146B, ALA146D, ARG133D, ARG150B, ARG150D, ASN116B, ASN122B, ASN160D, ASN164D, ASN46D, ASP129D, ASP357D, CYS132D, CYS166D, GLN152B, GLU111B, GLU121B, GLU131D, GLU134D, GLU139D, GLU151B, GLU151D, GLU70B, GLY137D, GLY159D, GLY353D, GLY66B, HIS125D, HIS148B, HIS155B, ILE117B, ILE158D, ILE24B, LEU126B, LEU126D, LEU128B, LEU128D, LEU130D, LEU143D, LYS112B, LYS124B, LYS136D, LYS147B, LYS147D, LYS356D, LYS63B, PHE110B, PHE118B, PHE119B, PHE145B, PHE145D, PHE26B, PHE65B, PRO154B, PRO163D, SER115B, SER68B, THR113B, THR120B, THR138D, THR140D, THR142D, THR157B, THR157D, THR354D, TRP135D, TYR127D, TYR153B, TYR162D, TYR355D, VAL123B, VAL149B, VAL149D, VAL156B, VAL161D, VAL352D
• B-E: LYS136B, LYS136E
• B-F: ALA144B, ALA144F, ALA146B, ALA146F, ARG133B, ARG150B, ARG150F, ASN116F, ASN122F, ASN160B, ASN164B, ASN46B, ASP129B, ASP357B, CYS132B, CYS166B, GLN152F, GLU111F, GLU121F, GLU131B, GLU134B, GLU139B, GLU151B, GLU151F, GLU70F, GLY137B, GLY159B, GLY353B, GLY66F, HIS125B, HIS148F, HIS155F, ILE117F, ILE158B, ILE24F, LEU126B, LEU126F, LEU128B, LEU128F, LEU130B, LEU143B, LYS112F, LYS124F, LYS136B, LYS141F, LYS147B, LYS147F, LYS356B, LYS63F, PHE110F, PHE118F, PHE119F, PHE145B, PHE145F, PHE26F, PHE65F, PRO154F, PRO163B, SER115F, SER68F, THR113F, THR120F, THR138B, THR140B, THR142B, THR157B, THR157F, THR354B, TRP135B, TYR127B, TYR153F, TYR162B, TYR355B, VAL123F, VAL149B, VAL149F, VAL156F, VAL161B, VAL352B
• C-D: ALA144C, ALA144D, ALA209C, ALA209D, ALA224C, ALA224D, ALA235C, ALA235D, ALA245C, ALA30C, ALA30D, ALA35C, ALA35D, ALA37C, ALA37D, ARG133C, ARG133D, ARG169C, ARG169D, ARG382C, ARG382D, ARG45C, ARG45D, ASN193C, ASN193D, ASN226C, ASN226D, ASN234C, ASN243C, ASN243D, ASN265C, ASN265D, ASN44C, ASN44D, ASN46C, ASN46D, ASP212C, ASP212D, ASP242C, ASP242D, ASP244C, ASP244D, ASP348C, ASP348D, ASP351C, ASP351D, ASP36C, ASP36D, CYS166D, GLN210C, GLN210D, GLN29C, GLN29D, GLU111C, GLU111D, GLU131C, GLU131D, GLU134C, GLU134D, GLU139C, GLU139D, GLU204C, GLU204D, GLU206C, GLU206D, GLU208C, GLU208D, GLU241C, GLU241D, GLU369D, GLU375C, GLU375D, GLU83C, GLU83D, GLY137C, GLY137D, GLY219C, GLY219D, GLY340C, GLY340D, GLY87C, GLY87D, HIS148C, HIS197C, HIS197D, HIS222C, HIS222D, HIS223C, HIS223D, HIS239C, HIS239D, HIS32C, HIS32D, HIS339C, HIS339D, HIS343C, HIS343D, HIS350C, HIS350D, HIS38C, HIS38D, ILE220C, ILE220D, ILE228C, ILE228D, LEU143C, LEU143D, LEU207C, LEU207D, LEU215C, LEU215D, LEU229C, LEU229D, LEU238C, LEU238D, LEU347C, LEU347D, LYS136C, LYS136D, LYS141C, LYS141D, LYS147C, LYS147D, LYS216C, LYS216D, LYS221C, LYS221D, LYS233C, LYS233D, LYS335C, LYS335D, LYS40C, LYS40D, LYS84C, LYS84D, LYS88C, LYS88D, PHE145C, PHE145D, PHE211C, PHE211D, PHE213C, PHE213D, PHE225C, PHE225D, PHE41C, PHE41D, PRO31C, PRO31D, PRO43C, PRO43D, SER217C, SER217D, SER218C, SER218D, SER334C, SER334D, SER34C, SER34D, THR138C, THR138D, THR140C, THR140D, THR142C, THR142D, THR214C, THR214D, THR227C, THR227D, THR236C, THR236D, THR349C, THR349D, TRP85C, TRP85D, TYR162C, TYR162D, TYR205C, TYR205D, TYR240C, TYR240D, TYR263C, TYR336C, TYR336D, TYR337C, TYR337D, TYR338C, TYR338D, TYR373C, TYR373D, TYR39C, TYR39D, VAL237C, VAL237D, VAL352C, VAL352D, VAL42C, VAL42D, VAL81C, VAL81D, VAL86C, VAL86D
• C-E: ALA144C, ALA144E, ALA146C, ALA146E, ARG133C, ARG150C, ARG150E, ASN116E, ASN122E, ASN160C, ASN164C, ASN46C, ASP129C, ASP357C, CYS132C, CYS166C, GLN152E, GLU111E, GLU121E, GLU131C, GLU134C, GLU139C, GLU151C, GLU151E, GLU70E, GLY137C, GLY159C, GLY353C, GLY66E, HIS125C, HIS148E, HIS155E, ILE117E, ILE158C, ILE24E, LEU126C, LEU126E, LEU128C, LEU128E, LEU130C, LEU143C, LYS112E, LYS124E, LYS136C, LYS147C, LYS147E, LYS356C, LYS63E, PHE110E, PHE118E, PHE119E, PHE145C, PHE145E, PHE26E, PHE65E, PRO154E, PRO163C, SER115E, SER68E, THR113E, THR120E, THR138C, THR140C, THR142C, THR157C, THR157E, THR354C, TRP135C, TYR127C, TYR153E, TYR162C, TYR355C, VAL149C, VAL149E, VAL156E, VAL161C, VAL352C
• C-F: LYS136C, LYS136F, TRP135C
• D-E: ALA35D, ALA35E, ASP108D, ASP108E, ASP36D, ASP36E, GLN152D, GLU139E, GLU151D, GLU151E, HIS32D, HIS32E, LYS112D, LYS112E, LYS147D, LYS147E, PHE119D, PHE119E, VAL81D, VAL81E
• D-F: ALA144D, ALA144F, ALA146D, ALA146F, ARG133F, ARG150D, ARG150F, ASN116D, ASN122D, ASN160F, ASN164F, ASN46F, ASP129F, CYS132F, CYS166F, GLN152D, GLU111D, GLU121D, GLU131F, GLU134F, GLU139F, GLU151D, GLU151F, GLU70D, GLY137F, GLY159F, GLY353F, HIS125F, HIS148D, HIS155D, ILE117D, ILE158F, ILE24D, LEU126D, LEU126F, LEU128D, LEU128F, LEU130F, LEU143F, LYS112D, LYS124D, LYS136F, LYS147D, LYS147F, LYS356F, LYS63D, PHE110D, PHE118D, PHE119D, PHE145D, PHE145F, PHE26D, PHE65D, PRO154D, PRO163F, SER115D, SER68D, THR113D, THR120D, THR138F, THR140F, THR142F, THR157D, THR157F, THR354F, TRP135F, TYR127F, TYR153D, TYR162F, TYR355F, VAL149D, VAL149F, VAL156D, VAL161F, VAL352F
• E-F: ALA144E, ALA144F, ALA209E, ALA209F, ALA224E, ALA224F, ALA235F, ALA245F, ALA30E, ALA30F, ALA35E, ALA35F, ALA37E, ALA37F, ARG133E, ARG133F, ARG169E, ARG169F, ARG382F, ARG45E, ARG45F, ASN193E, ASN193F, ASN226E, ASN226F, ASN234F, ASN243E, ASN243F, ASN265E, ASN265F, ASN44E, ASN44F, ASN46E, ASN46F, ASP212E, ASP212F, ASP242E, ASP242F, ASP244E, ASP244F, ASP348E, ASP348F, ASP351E, ASP351F, ASP36E, ASP36F, CYS166E, GLN210E, GLN210F, GLN260F, GLN29E, GLN29F, GLU111E, GLU111F, GLU131E, GLU131F, GLU134E, GLU134F, GLU139E, GLU139F, GLU204E, GLU204F, GLU206E, GLU206F, GLU208E, GLU208F, GLU241E, GLU241F, GLU369F, GLU375E, GLU375F, GLU83E, GLU83F, GLY137E, GLY137F, GLY219E, GLY219F, GLY340E, GLY340F, GLY87E, GLY87F, HIS148E, HIS197E, HIS197F, HIS222E, HIS222F, HIS223E, HIS223F, HIS239E, HIS239F, HIS32E, HIS32F, HIS339E, HIS339F, HIS343E, HIS343F, HIS350E, HIS350F, HIS38E, HIS38F, ILE220E, ILE220F, ILE228E, ILE228F, LEU143E, LEU143F, LEU207E, LEU207F, LEU215E, LEU215F, LEU229E, LEU229F, LEU238E, LEU238F, LEU347E, LEU347F, LYS136E, LYS136F, LYS141E, LYS141F, LYS147E, LYS147F, LYS216E, LYS216F, LYS221E, LYS221F, LYS233F, LYS335E, LYS335F, LYS40E, LYS40F, LYS84E, LYS84F, LYS88E, LYS88F, PHE211E, PHE211F, PHE213E, PHE213F, PHE225E, PHE225F, PHE41E, PHE41F, PRO31E, PRO31F, PRO43E, PRO43F, SER217E, SER217F, SER218E, SER218F, SER334E, SER334F, SER34E, SER34F, THR138E, THR138F, THR140E, THR140F, THR142E, THR142F, THR214E, THR214F, THR227E, THR227F, THR236E, THR236F, THR349E, THR349F, TRP85E, TRP85F, TYR162E, TYR162F, TYR205E, TYR205F, TYR240E, TYR240F, TYR336E, TYR336F, TYR337E, TYR337F, TYR338E, TYR338F, TYR373E, TYR373F, TYR39E, TYR39F, VAL237E, VAL237F, VAL352E, VAL352F, VAL42E, VAL42F, VAL81E, VAL81F, VAL86E, VAL86F