2FM1

crystal structure of l-allo-threonine aldolase (tm1744) from thermotoga maritima at 2.25 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 101
  • Norm. En. per Res.: -3.1534
• 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	-36.3997	5.3546	-287.445	-318.4902	101	7	4	10510	0	31	27
A-C	-79.7288	20.2378	-188.884	-248.375	97	12	0	7468	3	26	43
A-D	-44.1395	7.1588	-519.155	-556.1357	184	13	11	21637	8	48	38
B-C	-56.9436	10.138	-522.845	-569.6506	185	15	9	21923	8	44	40
B-D	-59.2904	20.975	-184.253	-222.5683	97	11	0	7383	2	24	44
C-D	-35.0141	2.8894	-292.21	-324.3347	105	5	4	10460	0	29	29

Interface residues

• A-B: ALA118A, ALA118B, ALA309B, ALA80A, ALA80B, ALA91A, ALA91B, ALA93A, ALA93B, ARG116A, ARG120A, ARG120B, ARG128A, ARG128B, ARG140A, ARG72A, ARG72B, ASN123A, ASN123B, ASN308A, ASN308B, ASP312B, ASP74A, ASP74B, ASP81B, GLN63B, GLN71A, GLN71B, GLU75A, GLU75B, GLU88A, GLU88B, GLY73A, GLY73B, GLY90A, GLY90B, GLY97A, GLY97B, HIS101A, HIS101B, HIS125A, HIS125B, HIS294B, HIS83A, HIS83B, ILE119A, ILE119B, ILE124A, ILE124B, ILE77A, ILE77B, ILE84A, ILE84B, LEU78A, LEU78B, LEU95A, LEU95B, LYS117A, LYS117B, MET92A, MET92B, MET99A, MET99B, PHE126A, PHE126B, PHE85A, PHE85B, PRO100A, PRO100B, PRO102A, PRO102B, PRO121A, PRO121B, PRO127A, PRO127B, SER311B, SER82A, SER82B, SER96A, SER96B, THR313B, THR59A, THR59B, THR8A, THR8B, TRP86A, TRP86B, TYR87A, TYR87B, VAL103A, VAL103B, VAL310A, VAL310B, VAL76A, VAL76B, VAL89A, VAL89B, VAL94A, VAL94B, VAL98A, VAL98B
• A-C: ALA219A, ALA219C, ALA222A, ALA222C, ALA68A, ALA68C, ALA93A, ALA93C, ARG120A, ARG120C, ARG122A, ARG122C, ARG128A, ARG128C, ARG218A, ARG218C, ARG220A, ARG220C, ARG223A, ARG223C, ARG231A, ARG231C, ARG72A, ARG72C, ASN123A, ASN123C, ASP214A, ASP214C, ASP28A, ASP28C, ASP74A, ASP74C, GLN63A, GLN63C, GLN71A, GLN71C, GLU217A, GLU217C, GLY229A, GLY229C, GLY31A, GLY31C, GLY73A, GLY73C, GLY97A, GLY97C, HIS125A, HIS125C, HIS69A, HIS69C, ILE124A, ILE124C, ILE216C, ILE66A, ILE66C, LEU226A, LEU226C, LEU53A, LEU53C, LEU95A, LEU95C, LYS221A, LYS221C, LYS224A, LYS224C, MET225A, MET225C, MET67A, MET67C, MET92A, MET92C, MET99A, MET99C, PHE126A, PHE126C, PRO121A, PRO121C, PRO127A, PRO127C, SER130C, SER65A, SER65C, SER96A, SER96C, THR70A, THR70C, TYR30A, TYR30C, VAL29A, VAL29C, VAL64A, VAL64C, VAL76C, VAL94A, VAL94C, VAL98A, VAL98C
• A-D: ALA19A, ALA19D, ALA203A, ALA203D, ALA21A, ALA21D, ALA222A, ALA222D, ALA233A, ALA233D, ALA237A, ALA237D, ALA238A, ALA238D, ALA239A, ALA239D, ALA23A, ALA23D, ALA307A, ALA307D, ALA91A, ALA91D, ALA93A, ALA93D, ARG171A, ARG171D, ARG17A, ARG17D, ARG220A, ARG220D, ARG223A, ARG223D, ARG231A, ARG231D, ARG316A, ARG316D, ARG5A, ARG5D, ARG72A, ARG72D, ASN139A, ASN308A, ASN308D, ASN62A, ASN62D, ASP27A, ASP27D, ASP28A, ASP28D, ASP322A, ASP322D, ASP33A, ASP33D, ASP3A, ASP3D, ASP7A, ASP7D, CYS196A, CYS196D, CYS202A, CYS202D, GLN22A, GLN22D, GLN232A, GLN232D, GLN63A, GLN63D, GLU14A, GLU14D, GLU24A, GLU24D, GLU32A, GLU32D, GLU88A, GLU88D, GLY206A, GLY206D, GLY227A, GLY227D, GLY228A, GLY228D, GLY229A, GLY229D, GLY234A, GLY234D, GLY26A, GLY26D, GLY31A, GLY58A, GLY58D, GLY61A, GLY61D, GLY90A, GLY90D, GLY97A, GLY97D, HIS-1D, HIS83A, HIS83D, ILE36A, ILE36D, LEU197A, LEU197D, LEU226A, LEU226D, LEU236A, LEU236D, LEU306A, LEU306D, LEU95A, LEU95D, LYS11A, LYS11D, LYS18A, LYS18D, LYS221A, LYS221D, LYS224A, LYS224D, MET16A, MET16D, MET20A, MET20D, MET225A, MET225D, MET230A, MET230D, MET60A, MET60D, MET67A, MET67D, MET92A, MET92D, PHE54A, PHE54D, PRO12A, PRO12D, PRO204A, PRO204D, PRO34A, PRO34D, PRO56A, PRO56D, SER198A, SER198D, SER207A, SER207D, SER57A, SER57D, SER6A, SER6D, SER96A, SER96D, THR10A, THR10D, THR13A, THR13D, THR59A, THR59D, THR8A, THR8D, TYR30A, TYR30D, TYR87A, TYR87D, VAL205A, VAL205D, VAL235A, VAL235D, VAL25A, VAL25D, VAL29A, VAL29D, VAL318D, VAL55A, VAL55D, VAL64A, VAL64D, VAL89A, VAL89D, VAL94A, VAL94D, VAL9A, VAL9D
• B-C: ALA19B, ALA19C, ALA203B, ALA203C, ALA21B, ALA21C, ALA222B, ALA222C, ALA233B, ALA233C, ALA237B, ALA237C, ALA238B, ALA238C, ALA239B, ALA239C, ALA23B, ALA23C, ALA307B, ALA307C, ALA91B, ALA91C, ALA93B, ALA93C, ARG171B, ARG171C, ARG17B, ARG17C, ARG220B, ARG220C, ARG223B, ARG223C, ARG231B, ARG231C, ARG316B, ARG316C, ARG5B, ARG5C, ARG72B, ARG72C, ASN308B, ASN308C, ASN62B, ASN62C, ASP27B, ASP27C, ASP28B, ASP28C, ASP322B, ASP322C, ASP33B, ASP33C, ASP3B, ASP3C, ASP7B, ASP7C, CYS196B, CYS196C, CYS202B, CYS202C, GLN22B, GLN22C, GLN232B, GLN232C, GLN63B, GLN63C, GLU14B, GLU14C, GLU24B, GLU24C, GLU32B, GLU32C, GLU88B, GLU88C, GLY206B, GLY206C, GLY227B, GLY227C, GLY228B, GLY228C, GLY229B, GLY229C, GLY234B, GLY234C, GLY26B, GLY26C, GLY31B, GLY31C, GLY58B, GLY58C, GLY61B, GLY61C, GLY90B, GLY90C, GLY97B, GLY97C, HIS83B, HIS83C, ILE36B, ILE36C, LEU197B, LEU197C, LEU226B, LEU226C, LEU236B, LEU236C, LEU306B, LEU306C, LEU4C, LEU95B, LEU95C, LYS11B, LYS11C, LYS18B, LYS18C, LYS221B, LYS221C, LYS224B, LYS224C, LYS321C, MET16B, MET16C, MET20B, MET20C, MET225B, MET225C, MET230B, MET230C, MET60B, MET60C, MET67B, MET67C, MET92B, MET92C, PHE54B, PHE54C, PRO12B, PRO12C, PRO204B, PRO204C, PRO34B, PRO34C, PRO56B, PRO56C, SER198B, SER198C, SER207B, SER207C, SER57B, SER57C, SER6B, SER6C, SER96B, SER96C, THR10B, THR10C, THR13B, THR13C, THR59B, THR59C, THR8B, THR8C, TYR30B, TYR30C, TYR87B, TYR87C, VAL205B, VAL205C, VAL235B, VAL235C, VAL25B, VAL25C, VAL29B, VAL29C, VAL318C, VAL55B, VAL55C, VAL64B, VAL64C, VAL89B, VAL89C, VAL94B, VAL94C, VAL9B, VAL9C
• B-D: ALA219B, ALA219D, ALA222B, ALA222D, ALA68B, ALA68D, ALA93B, ARG120B, ARG120D, ARG122B, ARG122D, ARG128B, ARG128D, ARG218B, ARG218D, ARG220B, ARG220D, ARG223B, ARG223D, ARG231B, ARG231D, ARG72B, ARG72D, ASN123B, ASN123D, ASP214D, ASP28B, ASP28D, ASP74B, ASP74D, GLN63B, GLN63D, GLN71B, GLN71D, GLU217B, GLU217D, GLY229B, GLY229D, GLY31B, GLY73B, GLY73D, GLY97B, GLY97D, HIS125B, HIS125D, HIS69B, HIS69D, ILE124B, ILE124D, ILE216B, ILE216D, ILE66B, ILE66D, LEU226B, LEU226D, LEU53B, LEU53D, LEU95B, LEU95D, LYS221B, LYS221D, LYS224B, LYS224D, MET225B, MET225D, MET67B, MET67D, MET92B, MET92D, MET99B, MET99D, PHE126B, PHE126D, PRO121B, PRO121D, PRO127B, PRO127D, SER130B, SER65B, SER65D, SER96B, SER96D, THR129B, THR70B, THR70D, TYR30B, TYR30D, VAL29B, VAL29D, VAL64B, VAL64D, VAL76B, VAL76D, VAL94B, VAL94D, VAL98B, VAL98D
• C-D: ALA118C, ALA118D, ALA309C, ALA309D, ALA80C, ALA80D, ALA91C, ALA91D, ALA93C, ALA93D, ARG116C, ARG120C, ARG120D, ARG128C, ARG128D, ARG72C, ARG72D, ASN123C, ASN123D, ASN308C, ASN308D, ASP312C, ASP312D, ASP74C, ASP74D, GLN63C, GLN63D, GLN71C, GLN71D, GLU75C, GLU75D, GLU88C, GLU88D, GLY73C, GLY73D, GLY90C, GLY90D, GLY97C, GLY97D, HIS101C, HIS101D, HIS125C, HIS125D, HIS294C, HIS294D, HIS83C, HIS83D, ILE119C, ILE119D, ILE124C, ILE124D, ILE77C, ILE77D, ILE84C, ILE84D, LEU78C, LEU78D, LEU95C, LEU95D, LYS117C, LYS117D, MET92C, MET92D, MET99C, MET99D, PHE126C, PHE126D, PHE85C, PHE85D, PRO100C, PRO100D, PRO102C, PRO102D, PRO104D, PRO121C, PRO121D, PRO127C, PRO127D, SER311C, SER311D, SER82C, SER82D, SER96C, SER96D, THR313C, THR59C, THR59D, THR8C, THR8D, TRP86C, TRP86D, TYR87C, TYR87D, VAL103C, VAL103D, VAL310C, VAL310D, VAL76C, VAL76D, VAL89C, VAL89D, VAL94C, VAL94D, VAL98C, VAL98D