2ZY5

r487a mutant of l-aspartate beta-decarboxylase

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 333
  • Norm. En. per Res.: -3.6435
• Hub Node: A(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	-149.5359	-34.5534	-984.447	-1168.5364	329	38	30	41300	5	59	43
A-C	0.0	0.0	-0.3306	-0.3306	4	0	0	55	0	0	0
A-D	-22.0476	-24.6061	-169.811	-216.4647	78	8	1	6869	3	27	29
A-E	-30.2146	-52.3672	-126.082	-208.6638	68	15	1	4820	3	42	25
B-D	-32.716	-60.6312	6.4733	-86.8738	71	32	1	4659	4	43	27
B-F	-41.9929	-65.1041	-115.852	-222.949	71	17	1	4695	5	42	24
C-D	-136.3384	-69.3675	-1007.57	-1213.2759	333	41	31	41662	4	58	40
C-F	-24.3102	-39.6517	-157.317	-221.2789	74	3	0	7120	3	28	28
D-E	0.0	0.0	-0.7576	-0.7576	6	0	0	97	0	0	0
D-F	-22.9806	-51.2306	-135.813	-210.0242	71	24	1	4937	4	45	25

Interface residues

• A-B: ALA176A, ALA176B, ALA177A, ALA177B, ALA179A, ALA179B, ALA214A, ALA214B, ALA319A, ALA319B, ALA349A, ALA349B, ALA35A, ALA35B, ALA372A, ALA372B, ALA376A, ALA376B, ALA378A, ALA378B, ALA383A, ALA383B, ALA44A, ALA44B, ALA501A, ALA501B, ALA50A, ALA50B, ALA58A, ALA58B, ALA59A, ALA59B, ALA60A, ALA60B, ALA78A, ALA78B, ARG101A, ARG101B, ARG30A, ARG30B, ARG323A, ARG323B, ARG353A, ARG353B, ARG355A, ARG355B, ARG375A, ARG375B, ARG37A, ARG37B, ARG418A, ARG418B, ARG419A, ARG419B, ARG48A, ARG48B, ARG49A, ARG49B, ARG53A, ARG53B, ASN133A, ASN133B, ASN34A, ASN34B, ASN380A, ASN380B, ASN39A, ASN39B, ASN41A, ASN41B, ASN502A, ASN502B, ASN504A, ASN504B, ASN94A, ASN94B, ASP127A, ASP127B, ASP18B, ASP27A, ASP27B, ASP373A, ASP373B, ASP403A, ASP403B, ASP406A, ASP406B, CYS132A, CYS132B, GLN215A, GLN215B, GLN389A, GLN389B, GLN390A, GLN390B, GLN392A, GLN392B, GLN414A, GLN414B, GLN97A, GLN97B, GLU172A, GLU172B, GLU183A, GLU183B, GLU209A, GLU209B, GLU212A, GLU212B, GLU407A, GLU407B, GLU505A, GLU505B, GLU61A, GLU61B, GLU63A, GLU63B, GLU98A, GLU98B, GLY128A, GLY128B, GLY131A, GLY131B, GLY173A, GLY173B, GLY174A, GLY174B, GLY28A, GLY28B, GLY318A, GLY318B, GLY321A, GLY321B, GLY36A, GLY36B, GLY384A, GLY384B, GLY38A, GLY38B, GLY55A, GLY55B, GLY73A, GLY73B, GLY75A, GLY75B, GLY76A, GLY76B, GLY99A, GLY99B, HIS352A, HIS352B, HIS381A, HIS381B, HIS410A, HIS410B, ILE129A, ILE129B, ILE208A, ILE208B, ILE210A, ILE210B, ILE21B, LEU130A, LEU130B, LEU141A, LEU141B, LEU187A, LEU187B, LEU213A, LEU213B, LEU31A, LEU31B, LEU324A, LEU324B, LEU33B, LEU350A, LEU357A, LEU379A, LEU379B, LEU385A, LEU385B, LEU412A, LEU412B, LEU415A, LEU415B, LEU43A, LEU43B, LEU503A, LEU503B, LEU54A, LEU54B, LEU56A, LEU56B, LEU64A, LEU64B, LEU77A, LEU77B, LYS186B, LYS315A, LYS315B, LYS409A, LYS409B, LYS79A, LYS79B, MET178A, MET178B, MET69A, MET69B, PHE182A, PHE182B, PHE204A, PHE204B, PHE250A, PHE250B, PHE317A, PHE317B, PHE396A, PHE396B, PHE399A, PHE399B, PHE42A, PHE42B, PHE51A, PHE51B, PHE52A, PHE52B, PHE57A, PHE57B, PRO135A, PRO135B, PRO137A, PRO138A, PRO138B, PRO206A, PRO206B, PRO211A, PRO211B, PRO359A, PRO388A, PRO388B, PRO40A, PRO40B, PRO47A, PRO47B, SER184B, SER26A, SER312A, SER312B, SER314A, SER314B, SER356A, SER356B, SER374A, SER374B, SER386A, SER386B, SER62A, SER62B, SER65A, SER65B, SER67A, SER67B, THR175A, THR175B, THR205A, THR205B, THR320A, THR320B, THR382A, THR382B, THR387A, THR387B, THR411A, THR411B, THR422A, THR45A, THR45B, THR46A, THR46B, THR70A, THR70B, THR71A, THR71B, TRP322A, TRP322B, TYR134A, TYR134B, TYR180A, TYR180B, TYR207A, TYR207B, TYR216A, TYR216B, TYR289A, TYR289B, TYR316A, TYR316B, TYR354A, TYR354B, TYR408A, TYR408B, TYR440A, TYR440B, TYR506A, TYR506B, TYR508A, TYR66A, TYR66B, TYR68A, TYR68B, TYR90A, TYR90B, VAL100A, VAL100B, VAL126A, VAL126B, VAL136A, VAL136B, VAL171A, VAL171B, VAL288A, VAL288B, VAL377A, VAL377B, VAL391B, VAL72A, VAL72B, VAL74A, VAL74B
• A-C: MET69A, THR71A, THR71C, VAL72C
• A-D: ALA400D, ALA405D, ALA50D, ALA59A, ALA60A, ALA78A, ALA92A, ALA92D, ARG101D, ARG111D, ARG154D, ARG86A, ARG86D, ARG89A, ARG89D, ARG95D, ASN94A, ASN94D, ASP112D, ASP403D, ASP406D, ASP81A, GLN113D, GLU404D, GLU407D, GLU61A, GLU63A, GLU84D, GLU88D, GLU93A, GLU93D, GLU98D, GLY104D, GLY115D, GLY73A, GLY75A, GLY76A, GLY82A, GLY85A, GLY85D, GLY99D, ILE83A, ILE91D, LEU103D, LEU107D, LEU114D, LEU398D, LEU401D, LEU56A, LEU64A, LEU77A, LYS105D, LYS79A, MET402D, MET69A, PHE102D, PHE399D, PHE57A, PHE87D, PRO118D, PRO47D, SER106D, SER108D, SER62A, SER65A, SER67A, THR46D, THR70A, THR71A, TYR109D, TYR408D, TYR66A, TYR68A, TYR90A, TYR90D, VAL110D, VAL72A, VAL74A
• A-E: ALA158A, ALA160A, ALA400A, ALA405A, ALA509E, ARG111A, ARG149A, ARG154A, ARG417E, ARG418E, ARG419E, ARG425E, ARG49E, ARG513E, ARG516E, ARG95A, ASN41E, ASN504E, ASP112A, ASP159A, ASP403A, ASP406A, ASP96A, ASP96E, GLN113A, GLN150A, GLN297A, GLN414E, GLU155A, GLU164A, GLU404A, GLU426E, GLU505E, GLU507E, GLY115A, GLY157A, GLY428E, HIS410A, HIS410E, ILE152A, ILE153A, ILE161A, ILE416E, LEU114A, LEU116A, LEU401A, LEU415E, LEU427E, LEU453E, LEU503E, LYS413E, MET156A, MET402A, MET429E, PHE42E, PRO162A, PRO430E, SER108A, SER163A, SER165A, THR411E, THR421E, THR422E, TYR109A, TYR424E, TYR506E, TYR508E, VAL110A
• B-D: ALA158D, ALA160D, ALA301D, ALA400D, ALA405D, ALA509B, ARG111D, ARG149D, ARG154D, ARG417B, ARG418B, ARG419B, ARG425B, ARG49B, ARG513B, ARG516B, ARG95D, ASN41B, ASN504B, ASP112D, ASP159D, ASP403D, ASP406D, ASP520B, ASP96B, ASP96D, GLN113D, GLN150D, GLN297D, GLN414B, GLU155D, GLU164D, GLU404D, GLU407B, GLU407D, GLU426B, GLU505B, GLU507B, GLY115D, GLY157D, GLY428B, HIS410B, ILE152D, ILE153D, ILE161D, ILE416B, LEU114D, LEU116D, LEU401D, LEU415B, LEU427B, LEU453B, LEU503B, LYS413B, MET402D, MET429B, PHE300D, PRO162D, PRO430B, SER108D, SER163D, SER165D, THR411B, THR421B, THR422B, TYR109D, TYR424B, TYR506B, TYR508B, VAL110D, VAL166D
• B-F: ALA158B, ALA160B, ALA400B, ALA405B, ALA509F, ARG101B, ARG111B, ARG149B, ARG154B, ARG417F, ARG418F, ARG419F, ARG425F, ARG49F, ARG513F, ARG516F, ARG95B, ASN41F, ASN504F, ASP112B, ASP159B, ASP403B, ASP406B, ASP96B, ASP96F, GLN113B, GLN150B, GLN297B, GLN414F, GLU155B, GLU164B, GLU404B, GLU407B, GLU407F, GLU426F, GLU505F, GLU507F, GLU98F, GLY115B, GLY157B, GLY428F, HIS410B, HIS410F, ILE153B, ILE161B, ILE416F, LEU114B, LEU116B, LEU401B, LEU415F, LEU427F, LEU453F, LEU503F, LYS413F, MET156B, MET402B, MET429F, PRO162B, PRO430F, SER108B, SER163B, SER165B, THR411F, THR421F, THR422F, TYR109B, TYR424F, TYR506F, TYR508F, VAL110B, VAL166B
• C-D: ALA176C, ALA176D, ALA177C, ALA177D, ALA179C, ALA179D, ALA214C, ALA214D, ALA217C, ALA319C, ALA319D, ALA349C, ALA349D, ALA35C, ALA35D, ALA372C, ALA372D, ALA376C, ALA376D, ALA378C, ALA378D, ALA383C, ALA383D, ALA405C, ALA44C, ALA44D, ALA501C, ALA501D, ALA50C, ALA50D, ALA58C, ALA58D, ALA59C, ALA59D, ALA60C, ALA60D, ALA78C, ALA78D, ARG101C, ARG30C, ARG30D, ARG323C, ARG323D, ARG353C, ARG353D, ARG355C, ARG355D, ARG375C, ARG375D, ARG37C, ARG37D, ARG418C, ARG418D, ARG419C, ARG419D, ARG48C, ARG48D, ARG49C, ARG49D, ARG53C, ARG53D, ASN133C, ASN133D, ASN188D, ASN34C, ASN34D, ASN380C, ASN380D, ASN39C, ASN39D, ASN41C, ASN41D, ASN502C, ASN502D, ASN504C, ASN504D, ASP127C, ASP127D, ASP27C, ASP27D, ASP373C, ASP373D, ASP403C, ASP403D, ASP406C, ASP406D, CYS132C, CYS132D, GLN215C, GLN215D, GLN389C, GLN389D, GLN390C, GLN390D, GLN392C, GLN392D, GLN414C, GLN414D, GLN97C, GLN97D, GLU172C, GLU172D, GLU183C, GLU183D, GLU209C, GLU209D, GLU212C, GLU212D, GLU407C, GLU407D, GLU505C, GLU505D, GLU61C, GLU61D, GLU63C, GLU63D, GLU98C, GLU98D, GLY128C, GLY128D, GLY131C, GLY131D, GLY173C, GLY173D, GLY174C, GLY174D, GLY28C, GLY28D, GLY318C, GLY318D, GLY321C, GLY321D, GLY36C, GLY36D, GLY384C, GLY384D, GLY38C, GLY38D, GLY55C, GLY55D, GLY73C, GLY73D, GLY75C, GLY75D, GLY76C, GLY76D, GLY99C, GLY99D, HIS352C, HIS352D, HIS381C, HIS381D, HIS410C, HIS410D, ILE129C, ILE129D, ILE208C, ILE208D, ILE210C, ILE210D, LEU130C, LEU130D, LEU141C, LEU141D, LEU187C, LEU187D, LEU213C, LEU213D, LEU31C, LEU31D, LEU324C, LEU324D, LEU33C, LEU350C, LEU350D, LEU357C, LEU357D, LEU358D, LEU379C, LEU379D, LEU385C, LEU385D, LEU412C, LEU412D, LEU415C, LEU415D, LEU43C, LEU43D, LEU503C, LEU503D, LEU54C, LEU54D, LEU56C, LEU56D, LEU64C, LEU64D, LEU77C, LEU77D, LYS186C, LYS186D, LYS315C, LYS315D, LYS409C, LYS409D, LYS79C, LYS79D, MET178C, MET178D, MET69C, MET69D, PHE182C, PHE182D, PHE204C, PHE204D, PHE250C, PHE250D, PHE317C, PHE317D, PHE396C, PHE396D, PHE399C, PHE399D, PHE42C, PHE42D, PHE51C, PHE51D, PHE52C, PHE52D, PHE57C, PHE57D, PRO135C, PRO135D, PRO137C, PRO137D, PRO138C, PRO138D, PRO206C, PRO206D, PRO211C, PRO211D, PRO388C, PRO388D, PRO40C, PRO40D, PRO47C, PRO47D, SER184D, SER26C, SER26D, SER312C, SER312D, SER314C, SER314D, SER356C, SER356D, SER374C, SER374D, SER386C, SER386D, SER62C, SER62D, SER65C, SER65D, SER67C, SER67D, THR175C, THR175D, THR205C, THR205D, THR320C, THR320D, THR382C, THR382D, THR387C, THR387D, THR411C, THR411D, THR422C, THR45C, THR45D, THR46C, THR46D, THR70C, THR70D, THR71C, THR71D, TRP322C, TRP322D, TYR134C, TYR134D, TYR180C, TYR180D, TYR207C, TYR207D, TYR216C, TYR216D, TYR316C, TYR316D, TYR354C, TYR354D, TYR408C, TYR408D, TYR440C, TYR440D, TYR441C, TYR441D, TYR506C, TYR506D, TYR508D, TYR66C, TYR66D, TYR68C, TYR68D, TYR90C, TYR90D, VAL100C, VAL100D, VAL126C, VAL126D, VAL136C, VAL136D, VAL171C, VAL171D, VAL288C, VAL288D, VAL377C, VAL377D, VAL391C, VAL391D, VAL72C, VAL72D, VAL74C, VAL74D
• C-F: ALA400F, ALA405F, ALA60C, ALA78C, ALA92C, ALA92F, ARG101F, ARG111F, ARG154F, ARG86C, ARG86F, ARG89C, ARG89F, ARG95F, ASN94C, ASN94F, ASP112F, ASP403F, ASP406F, ASP81C, GLN113F, GLU404F, GLU407F, GLU61C, GLU63C, GLU84F, GLU88F, GLU93C, GLU93F, GLY104F, GLY115F, GLY73C, GLY75C, GLY76C, GLY82C, GLY85C, GLY85F, ILE83C, ILE91F, LEU107F, LEU114F, LEU395F, LEU398F, LEU401F, LEU56C, LEU64C, LEU77C, LYS105F, LYS79C, MET402F, MET69C, PHE102F, PHE399F, PHE57C, PHE87F, PRO118F, PRO47F, SER106F, SER108F, SER62C, SER65C, SER67C, THR46F, THR70C, THR71C, TYR109F, TYR408F, TYR66C, TYR68C, TYR90C, TYR90F, VAL110F, VAL72C, VAL74C
• D-E: GLY73E, MET69D, THR70D, THR71D, THR71E, VAL72E
• D-F: ALA158F, ALA160F, ALA400F, ALA405F, ALA509D, ARG101F, ARG111F, ARG149F, ARG154F, ARG417D, ARG418D, ARG419D, ARG425D, ARG49D, ARG513D, ARG516D, ARG95F, ASN41D, ASN504D, ASP112F, ASP159F, ASP403F, ASP406F, ASP96D, ASP96F, GLN113F, GLN150F, GLN297F, GLN331F, GLN414D, GLU155F, GLU164F, GLU404F, GLU407D, GLU407F, GLU426D, GLU505D, GLU507D, GLU98D, GLY115F, GLY157F, GLY428D, HIS410D, HIS410F, ILE153F, ILE161F, ILE416D, LEU114F, LEU116F, LEU401F, LEU415D, LEU427D, LEU453D, LEU503D, MET156F, MET402F, MET429D, PRO162F, PRO430D, SER108F, SER163F, SER165F, THR411D, THR421D, THR422D, TYR109F, TYR424D, TYR506D, TYR508D, VAL110F, VAL166F