2D4A

structure of the malate dehydrogenase from aeropyrum pernix

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: D-C
  • Int. Res.: 190
  • Norm. En. per Res.: -4.1734
• Hub Node: B(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
B-A	-72.3484	-117.3563	-605.583	-795.2877	192	39	30	23675	5	32	36
B-D	-6.4819	-80.2734	-61.1727	-147.928	52	8	0	2931	3	40	34
B-C	-25.2007	19.5819	-206.725	-212.3438	96	15	9	10256	0	10	14
A-D	-43.3495	25.5991	-205.175	-222.9254	101	11	9	10105	0	11	14
A-C	0.0	-68.2181	-71.9573	-140.1754	52	2	0	3030	3	39	33
D-C	-74.793	-100.9187	-617.234	-792.9457	190	29	31	23602	5	36	38

Interface residues

• B-A: ALA13A, ALA13B, ALA147A, ALA147B, ALA150A, ALA150B, ALA15A, ALA15B, ALA209A, ALA209B, ALA211A, ALA211B, ALA226A, ALA226B, ALA227A, ALA227B, ALA40A, ALA40B, ALA44A, ALA44B, ALA46A, ALA46B, ALA47A, ALA47B, ALA48A, ALA48B, ALA7A, ALA7B, ARG148A, ARG148B, ARG217A, ARG217B, ARG21A, ARG21B, ARG242A, ARG242B, ARG55A, ARG55B, ASN208A, ASN208B, ASN222A, ASN222B, ASN60A, ASN60B, ASP145A, ASP145B, ASP42A, ASP42B, ASP53A, ASP53B, GLN155A, GLN155B, GLN37A, GLN37B, GLU205A, GLU205B, GLU215A, GLU215B, GLU234A, GLU234B, GLU39A, GLU39B, GLU49A, GLU49B, GLY11B, GLY142A, GLY142B, GLY158B, GLY210A, GLY210B, GLY218A, GLY218B, GLY224A, GLY224B, GLY228A, GLY228B, GLY22A, GLY22B, GLY34A, GLY34B, GLY38A, GLY38B, GLY51A, GLY51B, GLY58A, GLY58B, GLY8A, GLY8B, HIS45A, HIS45B, ILE143A, ILE143B, ILE213A, ILE213B, ILE54A, ILE54B, ILE56A, ILE56B, LEU144A, LEU144B, LEU18A, LEU18B, LEU216A, LEU216B, LEU229A, LEU229B, LEU231A, LEU231B, LEU28A, LEU28B, LEU41A, LEU41B, LEU43A, LEU43B, LEU50A, LEU50B, LYS162A, LYS162B, LYS212A, LYS212B, LYS35A, LYS35B, LYS9A, LYS9B, MET12A, MET12B, MET149A, MET149B, MET17A, MET17B, MET19A, MET19B, MET20A, MET20B, PHE140A, PHE140B, PHE161A, PHE161B, PRO225A, PRO225B, PRO33A, PRO33B, PRO36A, PRO36B, SER141A, SER141B, SER146A, SER146B, SER154A, SER154B, SER160A, SER160B, SER163A, SER163B, SER220A, SER220B, SER221A, SER221B, SER57A, SER57B, THR14A, THR14B, THR206A, THR206B, THR214A, THR214B, THR232A, THR232B, THR32A, THR32B, TYR151A, TYR151B, TYR152A, TYR152B, TYR219A, TYR219B, TYR223A, TYR223B, TYR23A, TYR23B, TYR244A, TYR244B, VAL159A, VAL159B, VAL164A, VAL164B, VAL16A, VAL16B, VAL230A, VAL230B, VAL52A, VAL52B
• B-D: ALA235B, ALA235D, ALA47B, ALA47D, ARG21B, ARG21D, ARG238B, ARG238D, ARG242B, ARG242D, ARG55B, ARG55D, ASP239B, ASP239D, ASP24B, ASP24D, ASP25B, ASP25D, ASP53B, ASP53D, GLU234B, GLU234D, GLU49B, GLU49D, GLY22B, GLY22D, GLY51B, GLY51D, ILE54B, ILE54D, LEU231B, LEU50B, LEU50D, LYS162B, LYS162D, LYS237B, LYS237D, LYS241B, LYS241D, LYS269D, MET19B, MET19D, MET20B, MET20D, SER240B, SER240D, TYR23B, TYR23D, TYR244B, TYR244D, VAL52B, VAL52D
• B-C: ALA166B, ALA166C, ALA235B, ALA235C, ALA265B, ALA265C, ARG181B, ARG181C, ARG238B, ARG238C, ARG242B, ARG242C, ARG274B, ARG274C, ASN165B, ASN165C, ASP239B, ASP239C, GLU234B, GLU234C, GLU273B, GLU273C, GLU277B, GLU277C, GLY158B, GLY158C, GLY186B, GLY186C, GLY187B, GLY187C, HIS192B, HIS192C, ILE167B, ILE167C, ILE243B, ILE243C, ILE267B, ILE267C, ILE276B, ILE276C, LEU157B, LEU157C, LEU169C, LEU182B, LEU182C, LEU193B, LEU193C, LEU231B, LEU231C, LEU278B, LEU278C, LEU280B, LYS162B, LYS162C, LYS241B, LYS241C, PHE161B, PHE161C, PRO189B, PRO189C, PRO245B, PRO245C, PRO264B, PRO264C, PRO279B, PRO279C, SER154B, SER154C, SER160B, SER160C, SER163B, SER163C, SER183B, SER183C, SER184B, SER184C, SER240B, SER240C, TYR244B, TYR244C, TYR254B, TYR254C, VAL159B, VAL159C, VAL164B, VAL164C, VAL168B, VAL168C, VAL179B, VAL179C, VAL185B, VAL185C, VAL188B, VAL188C, VAL266B, VAL266C
• A-D: ALA166A, ALA166D, ALA235A, ALA235D, ALA265A, ALA265D, ARG181A, ARG181D, ARG21A, ARG238A, ARG238D, ARG242A, ARG242D, ARG274A, ARG274D, ASN165A, ASN165D, ASP239A, ASP239D, GLU191A, GLU234A, GLU234D, GLU273A, GLU273D, GLU277A, GLU277D, GLY158A, GLY158D, GLY186A, GLY186D, GLY187A, GLY187D, HIS192A, HIS192D, ILE167A, ILE167D, ILE243A, ILE243D, ILE267A, ILE267D, ILE276A, ILE276D, LEU157A, LEU157D, LEU169D, LEU182A, LEU182D, LEU190A, LEU193A, LEU193D, LEU231A, LEU231D, LEU278A, LEU278D, LEU280A, LEU280D, LYS156A, LYS162A, LYS162D, LYS241A, LYS241D, PHE161A, PHE161D, PRO189A, PRO189D, PRO245A, PRO245D, PRO264A, PRO264D, PRO279A, PRO279D, SER154A, SER154D, SER160A, SER160D, SER163A, SER163D, SER183A, SER183D, SER184A, SER184D, SER240A, SER240D, TYR244A, TYR244D, TYR254A, TYR254D, VAL159A, VAL159D, VAL164A, VAL164D, VAL168A, VAL168D, VAL179A, VAL179D, VAL185A, VAL185D, VAL188A, VAL188D, VAL266A, VAL266D
• A-C: ALA235A, ALA235C, ALA47A, ALA47C, ARG21A, ARG21C, ARG238A, ARG238C, ARG242A, ARG242C, ARG55A, ARG55C, ASP239A, ASP239C, ASP24A, ASP24C, ASP25A, ASP25C, ASP53A, ASP53C, GLU234A, GLU234C, GLU49C, GLY22A, GLY22C, GLY51A, GLY51C, ILE243C, ILE54A, ILE54C, LEU50A, LEU50C, LYS162A, LYS162C, LYS237A, LYS237C, LYS241A, LYS241C, LYS269A, LYS269C, MET19A, MET19C, MET20A, MET20C, SER240A, SER240C, TYR23A, TYR23C, TYR244A, TYR244C, VAL52A, VAL52C
• D-C: ALA13C, ALA13D, ALA147C, ALA147D, ALA150C, ALA150D, ALA15C, ALA15D, ALA209C, ALA209D, ALA211C, ALA211D, ALA226C, ALA226D, ALA227C, ALA227D, ALA40C, ALA40D, ALA44C, ALA44D, ALA46C, ALA46D, ALA47C, ALA47D, ALA48C, ALA48D, ALA7C, ALA7D, ARG148C, ARG148D, ARG217C, ARG217D, ARG21C, ARG21D, ARG242C, ARG242D, ARG55C, ARG55D, ASN208C, ASN208D, ASN222C, ASN222D, ASN60C, ASN60D, ASP145C, ASP145D, ASP42C, ASP42D, ASP53C, ASP53D, GLN155C, GLN155D, GLN37C, GLN37D, GLU205C, GLU205D, GLU215C, GLU215D, GLU234C, GLU234D, GLU39C, GLU39D, GLU49C, GLU49D, GLY11C, GLY11D, GLY142C, GLY142D, GLY210C, GLY210D, GLY218C, GLY218D, GLY224C, GLY224D, GLY228C, GLY228D, GLY22C, GLY22D, GLY34C, GLY34D, GLY38C, GLY38D, GLY51C, GLY51D, GLY8C, GLY8D, HIS45C, HIS45D, ILE143C, ILE143D, ILE213C, ILE213D, ILE54C, ILE54D, ILE56C, ILE56D, LEU144C, LEU144D, LEU18C, LEU18D, LEU216C, LEU216D, LEU229C, LEU229D, LEU231C, LEU231D, LEU28C, LEU28D, LEU41C, LEU41D, LEU43C, LEU43D, LEU50C, LEU50D, LYS162C, LYS162D, LYS212C, LYS212D, LYS35C, LYS35D, LYS9C, LYS9D, MET12C, MET12D, MET149C, MET149D, MET17C, MET17D, MET19C, MET19D, MET20C, MET20D, PHE140C, PHE140D, PHE161C, PHE161D, PRO225C, PRO225D, PRO33C, PRO33D, PRO36C, PRO36D, SER141C, SER141D, SER146C, SER146D, SER154C, SER154D, SER160C, SER160D, SER163C, SER163D, SER220C, SER220D, SER221C, SER221D, SER57C, SER57D, THR14C, THR14D, THR206C, THR206D, THR214C, THR214D, THR232C, THR232D, THR32C, THR32D, TYR151C, TYR151D, TYR152C, TYR152D, TYR219C, TYR219D, TYR223C, TYR223D, TYR23C, TYR23D, TYR244C, TYR244D, VAL10C, VAL159C, VAL164C, VAL164D, VAL16C, VAL16D, VAL230C, VAL230D, VAL52C, VAL52D