1W2M

ca-substituted form of e. coli aminopeptidase p

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 206
  • Norm. En. per Res.: -4.3229
• 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	-58.0781	44.6322	-126.141	-139.5869	90	10	2	5647	0	29	34
A-C	0.0	-2.3702	-0.6452	-3.0155	11	0	0	123	0	6	2
A-D	-158.9183	-198.1674	-534.985	-892.0707	207	21	6	20401	19	126	93
B-C	-165.4205	-193.7521	-531.347	-890.5196	206	22	6	20418	19	118	93
B-D	0.0	0.0	-0.5141	-0.5141	8	0	0	82	0	6	2
C-D	-53.008	44.1891	-111.943	-120.7619	93	13	2	5658	0	30	35
C-F	-24.0044	-64.3956	-77.7011	-166.1011	64	4	0	4125	2	36	39
E-F	-56.2501	49.4342	-129.529	-136.345	95	10	2	5669	0	29	35

Interface residues

• A-B: ALA130A, ALA130B, ALA158A, ALA158B, ALA160A, ALA160B, ARG149A, ARG149B, ARG153A, ARG153B, ARG166A, ARG166B, ARG370A, ARG370B, ASN142A, ASN142B, ASN155A, ASN155B, ASP125A, ASP125B, ASP138A, ASP138B, ASP164A, ASP164B, ASP369A, ASP369B, GLN131A, GLN131B, GLN154A, GLN154B, GLN20A, GLN20B, GLN368A, GLN368B, GLU133A, GLU133B, GLU146A, GLU146B, GLY132A, GLY132B, GLY351A, GLY364A, GLY364B, GLY367A, GLY367B, HIS129A, HIS129B, HIS170A, HIS170B, HIS350A, HIS354A, HIS354B, HIS361A, HIS361B, ILE163A, ILE163B, LEU145A, LEU145B, LYS150A, LYS150B, MET162A, MET162B, MET349A, PRO159A, PRO159B, PRO167A, PRO167B, SER152A, SER152B, SER353A, THR157A, THR157B, THR161A, THR161B, TRP165A, TRP165B, TYR128A, TYR128B, TYR366A, TYR366B, VAL126A, VAL126B, VAL127A, VAL127B, VAL141A, VAL141B, VAL168A, VAL168B, VAL365A, VAL365B
• A-C: ALA37A, ARG153A, ARG153C, ASP38A, ASP38C, LYS150A, LYS150C, PHE89A, THR34A, TRP88A, TRP88C
• A-D: ALA224A, ALA224D, ALA269A, ALA269D, ALA30A, ALA30D, ALA37A, ALA37D, ALA389A, ALA389D, ALA85A, ALA85D, ARG173A, ARG173D, ARG197A, ARG197D, ARG221A, ARG221D, ARG225A, ARG225D, ARG345D, ARG35A, ARG35D, ARG370A, ARG370D, ARG404A, ARG44A, ARG44D, ARG81D, ARG91A, ARG91D, ARG92A, ARG92D, ASN220A, ASN220D, ASN230A, ASN230D, ASN238A, ASN238D, ASN247A, ASN247D, ASN46A, ASN46D, ASN56A, ASN56D, ASP359A, ASP359D, ASP362A, ASP362D, ASP38A, ASP38D, ASP391A, ASP391D, ASP48A, ASP48D, CYS240A, CYS240D, CYS263A, GLN45A, GLN45D, GLU133A, GLU133D, GLU208A, GLU208D, GLU212A, GLU212D, GLU214A, GLU214D, GLU218A, GLU218D, GLU237A, GLU237D, GLU246A, GLU246D, GLU248A, GLU248D, GLU264A, GLU264D, GLU32A, GLU32D, GLU40A, GLU40D, GLU57A, GLU57D, GLU86A, GLU86D, GLY213A, GLY213D, GLY223A, GLY223D, GLY234A, GLY234D, GLY236A, GLY236D, GLY239A, GLY239D, GLY267A, GLY267D, GLY351A, GLY351D, GLY90A, GLY90D, HIS170A, HIS170D, HIS210A, HIS210D, HIS216A, HIS216D, HIS217A, HIS217D, HIS222A, HIS222D, HIS243A, HIS243D, HIS350A, HIS350D, HIS361A, HIS361D, ILE215A, ILE215D, ILE232A, ILE232D, ILE241A, ILE241D, ILE87A, ILE87D, LEU211A, LEU211D, LEU242A, LEU242D, LEU358A, LEU358D, LEU83A, LEU83D, LYS101D, LYS201A, LYS201D, LYS266A, LYS266D, MET206A, MET206D, MET349A, MET349D, PHE207A, PHE207D, PHE219A, PHE219D, PHE348D, PHE89A, PHE89D, PRO227A, PRO227D, PRO31A, PRO31D, PRO346A, PRO346D, PRO390A, PRO390D, PRO42A, PRO42D, SER228A, SER228D, SER235A, SER235D, SER36A, SER36D, SER39A, SER39D, SER47A, SER47D, THR231A, THR231D, THR245A, THR245D, THR34A, THR34D, THR84A, THR84D, TRP50A, TRP88A, TRP88D, TYR134A, TYR134D, TYR209A, TYR209D, TYR226A, TYR226D, TYR229A, TYR229D, TYR244A, TYR244D, TYR265A, TYR265D, TYR387A, TYR387D, TYR41A, TYR41D, TYR43A, TYR43D, VAL233A, VAL233D, VAL33A, VAL33D, VAL360A, VAL360D, VAL363A, VAL363D
• B-C: ALA224B, ALA224C, ALA269B, ALA269C, ALA30B, ALA30C, ALA37B, ALA37C, ALA389B, ALA389C, ALA85B, ALA85C, ARG173B, ARG173C, ARG197B, ARG197C, ARG221B, ARG221C, ARG225B, ARG225C, ARG345B, ARG35B, ARG35C, ARG370B, ARG370C, ARG404B, ARG404C, ARG44B, ARG44C, ARG81B, ARG81C, ARG91B, ARG91C, ARG92B, ARG92C, ASN220B, ASN220C, ASN230B, ASN230C, ASN238B, ASN238C, ASN247B, ASN247C, ASN46B, ASN46C, ASN56B, ASN56C, ASP359B, ASP359C, ASP362B, ASP362C, ASP38B, ASP38C, ASP391B, ASP391C, ASP48B, ASP48C, CYS240B, CYS240C, CYS263B, GLN45B, GLN45C, GLU133B, GLU133C, GLU208B, GLU208C, GLU212B, GLU212C, GLU214B, GLU214C, GLU218B, GLU218C, GLU237B, GLU237C, GLU246B, GLU246C, GLU248B, GLU248C, GLU264B, GLU264C, GLU32B, GLU32C, GLU40B, GLU40C, GLU57B, GLU57C, GLU86B, GLU86C, GLY213B, GLY213C, GLY223B, GLY223C, GLY234C, GLY236B, GLY236C, GLY239B, GLY239C, GLY262B, GLY267B, GLY267C, GLY351B, GLY351C, GLY90B, GLY90C, HIS170B, HIS170C, HIS210B, HIS210C, HIS216B, HIS216C, HIS217B, HIS217C, HIS222B, HIS222C, HIS243B, HIS243C, HIS350B, HIS350C, HIS361B, HIS361C, ILE215B, ILE215C, ILE232B, ILE232C, ILE241B, ILE241C, ILE87B, ILE87C, LEU211B, LEU211C, LEU242B, LEU242C, LEU358B, LEU358C, LEU83B, LEU83C, LYS201B, LYS201C, LYS266B, LYS266C, MET206B, MET206C, MET349B, MET349C, PHE207B, PHE207C, PHE219B, PHE219C, PHE89B, PHE89C, PRO227B, PRO227C, PRO31B, PRO31C, PRO346B, PRO346C, PRO390B, PRO390C, PRO42B, PRO42C, SER228B, SER228C, SER235B, SER235C, SER36B, SER36C, SER39B, SER39C, SER47B, SER47C, THR231B, THR231C, THR245B, THR245C, THR34B, THR34C, THR84B, THR84C, TRP88B, TRP88C, TYR134B, TYR134C, TYR209B, TYR209C, TYR226B, TYR226C, TYR229B, TYR229C, TYR244B, TYR244C, TYR265B, TYR265C, TYR387B, TYR387C, TYR41B, TYR41C, TYR43B, TYR43C, VAL233B, VAL233C, VAL33B, VAL33C, VAL360B, VAL360C, VAL363B, VAL363C
• B-D: ARG153B, ARG153D, ASP38B, ASP38D, LYS150B, LYS150D, TRP88B, TRP88D
• C-D: ALA130C, ALA130D, ALA158C, ALA158D, ALA160C, ALA160D, ARG149C, ARG149D, ARG153C, ARG153D, ARG166C, ARG166D, ARG370C, ARG370D, ASN142C, ASN142D, ASN155C, ASN155D, ASP125C, ASP125D, ASP138C, ASP138D, ASP164C, ASP164D, ASP369C, ASP369D, GLN131C, GLN131D, GLN154C, GLN154D, GLN20C, GLN20D, GLN368C, GLN368D, GLU133C, GLU133D, GLU146C, GLU146D, GLY132C, GLY132D, GLY351C, GLY351D, GLY364C, GLY364D, GLY367C, GLY367D, HIS129C, HIS129D, HIS170C, HIS170D, HIS243C, HIS350C, HIS350D, HIS354C, HIS354D, HIS361C, HIS361D, ILE163C, ILE163D, LEU145C, LEU145D, LYS150C, LYS150D, MET162C, MET162D, MET349C, PRO159C, PRO159D, PRO167C, PRO167D, SER152C, SER152D, SER353C, THR157C, THR157D, THR161C, THR161D, TRP165C, TRP165D, TYR128C, TYR128D, TYR366C, TYR366D, VAL126C, VAL126D, VAL127C, VAL127D, VAL141C, VAL141D, VAL168C, VAL168D, VAL365C, VAL365D
• C-F: ALA182F, ALA285C, ALA421F, ARG10F, ARG185F, ARG186F, ARG203C, ARG221F, ARG252C, ARG287C, ARG399C, ARG438C, ARG5F, ASN279C, ASN418F, ASP253C, ASP255C, GLN284C, GLN286C, GLN397C, GLN6F, GLN9F, GLU100F, GLU179F, GLU180F, GLU189F, GLU250C, GLU288C, GLU2F, GLU396C, GLU417F, GLU431C, GLU7F, GLY205C, GLY223F, GLY254C, GLY280C, HIS222F, ILE181F, ILE190F, ILE3F, LEU328C, LEU419F, LYS101F, LYS266F, LYS281C, LYS439C, MET193F, PHE282C, PHE8F, PRO178F, PRO204C, PRO277C, PRO395C, SER177F, SER1F, SER422F, SER4F, THR283C, TYR265F, TYR398C, VAL183F, VAL278C, VAL435C
• E-F: ALA130E, ALA130F, ALA158E, ALA158F, ALA160E, ALA160F, ARG149E, ARG149F, ARG153E, ARG153F, ARG166E, ARG166F, ARG370E, ARG370F, ASN142E, ASN142F, ASN155E, ASN155F, ASP125E, ASP125F, ASP138E, ASP138F, ASP164E, ASP164F, ASP369E, ASP369F, GLN131E, GLN131F, GLN154E, GLN154F, GLN20E, GLN20F, GLN368E, GLN368F, GLU133E, GLU133F, GLU146E, GLU146F, GLY132E, GLY132F, GLY351E, GLY351F, GLY364E, GLY364F, GLY367E, GLY367F, HIS129E, HIS129F, HIS170E, HIS170F, HIS243F, HIS350E, HIS350F, HIS354E, HIS354F, HIS361E, HIS361F, ILE163E, ILE163F, LEU145E, LEU145F, LYS150E, LYS150F, MET162E, MET162F, MET349E, MET349F, PRO159E, PRO159F, PRO167E, PRO167F, SER152E, SER152F, SER353E, SER353F, THR157E, THR157F, THR161E, THR161F, TRP165E, TRP165F, TYR128E, TYR128F, TYR366E, TYR366F, VAL126E, VAL126F, VAL127E, VAL127F, VAL141E, VAL141F, VAL168E, VAL168F, VAL365E, VAL365F