1BKG

aspartate aminotransferase from thermus thermophilus with maleate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 299
  • Norm. En. per Res.: -4.532
• 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	-294.6125	-84.4466	-975.999	-1355.0581	299	52	15	36906	2	59	51
A-C	-4.4172	18.4899	-47.4576	-33.3849	48	7	1	2471	0	29	16
A-D	0.0	37.2465	-2.4189	34.8276	10	6	0	225	0	0	6
B-C	0.0	38.1297	-4.0438	34.0859	10	6	0	374	0	0	8
B-D	0.0	14.4797	-48.1409	-33.6612	44	5	1	2392	1	29	16
C-D	-278.6991	-88.2501	-959.416	-1326.3652	298	49	16	36640	2	58	52

Interface residues

• A-B: ALA103A, ALA103B, ALA110A, ALA110B, ALA135A, ALA135B, ALA15A, ALA15B, ALA167A, ALA167B, ALA18A, ALA18B, ALA193A, ALA193B, ALA21A, ALA21B, ALA222A, ALA222B, ALA233A, ALA233B, ALA237A, ALA237B, ALA255A, ALA255B, ALA257A, ALA257B, ALA271A, ALA271B, ALA274A, ALA274B, ALA365A, ALA365B, ALA38A, ALA38B, ALA52A, ALA52B, ALA53A, ALA53B, ALA56A, ALA56B, ALA58A, ALA58B, ALA65A, ALA65B, ALA68A, ALA68B, ARG133A, ARG133B, ARG164A, ARG164B, ARG242A, ARG242B, ARG28A, ARG28B, ARG2A, ARG2B, ARG54A, ARG54B, ARG55A, ARG55B, ARG6A, ARG6B, ARG7A, ARG7B, ASN106A, ASN106B, ASN175A, ASN175B, ASN20A, ASN20B, ASP113A, ASP113B, ASP116A, ASP116B, ASP197A, ASP197B, ASP268A, ASP268B, ASP353A, ASP42A, ASP42B, ASP44A, ASP44B, GLN102A, GLN102B, GLN109A, GLN109B, GLN262A, GLN262B, GLN272A, GLN272B, GLN59A, GLN59B, GLN9A, GLN9B, GLU117A, GLU117B, GLU130A, GLU130B, GLU224A, GLU224B, GLU251A, GLU251B, GLU40A, GLU40B, GLU47A, GLU47B, GLU51A, GLU51B, GLU72A, GLU72B, GLY100A, GLY100B, GLY115A, GLY115B, GLY136A, GLY136B, GLY137A, GLY137B, GLY240A, GLY240B, GLY39A, GLY39B, GLY3A, GLY3B, GLY60A, GLY60B, GLY99A, GLY99B, HIS196A, HIS196B, HIS225A, HIS225B, ILE111A, ILE111B, ILE161A, ILE161B, ILE205A, ILE205B, ILE243A, ILE243B, ILE253A, ILE253B, ILE270A, ILE270B, LEU104A, LEU104B, LEU107A, LEU107B, LEU112A, LEU112B, LEU200A, LEU200B, LEU227A, LEU227B, LEU24A, LEU24B, LEU4A, LEU4B, LEU57A, LEU57B, LYS101A, LYS101B, LYS12A, LYS12B, LYS166A, LYS166B, LYS234A, LYS234B, LYS250A, LYS250B, LYS254A, LYS254B, LYS50A, LYS50B, LYS61A, LYS61B, LYS63A, LYS63B, MET11A, MET11B, MET131A, MET131B, MET1A, MET1B, MET238A, MET238B, MET256A, MET256B, PHE105A, PHE105B, PHE108A, PHE108B, PHE134A, PHE134B, PHE198A, PHE198B, PHE236A, PHE236B, PHE288A, PHE288B, PHE321A, PHE321B, PHE43A, PHE43B, PRO114A, PRO114B, PRO129A, PRO129B, PRO13A, PRO13B, PRO163A, PRO163B, PRO223A, PRO223B, PRO249A, PRO249B, PRO267A, PRO267B, PRO41A, PRO41B, PRO46A, PRO46B, PRO66A, PRO66B, PRO67A, PRO67B, PRO71A, PRO71B, SER127A, SER127B, SER14A, SER14B, SER258A, SER258B, SER260A, SER260B, SER261A, SER261B, SER263A, SER263B, SER266A, SER266B, SER5A, SER5B, THR162A, THR162B, THR165A, THR165B, THR16A, THR16B, THR226A, THR226B, THR239A, THR239B, THR264A, THR264B, THR265A, THR265B, THR269A, THR269B, THR45A, THR45B, THR62A, THR62B, THR97A, THR97B, TRP125A, TRP125B, TRP241A, TRP241B, TYR128A, TYR128B, TYR199A, TYR199B, TYR206A, TYR206B, TYR322A, TYR322B, TYR64A, TYR64B, VAL126A, VAL126B, VAL132A, VAL132B, VAL17A, VAL17B, VAL194A, VAL194B, VAL252A, VAL252B, VAL259A, VAL259B, VAL49A, VAL49B, VAL8A, VAL8B, VAL98A, VAL98B
• A-C: ALA10A, ALA10C, ARG133A, ARG133C, ARG164A, ARG164C, ARG6A, ARG6C, ARG7A, ARG7C, ASP113A, ASP113C, ASP116A, ASP116C, GLU117A, GLU117C, GLU130A, GLU130C, GLU141C, GLY115A, GLY115C, GLY136A, GLY136C, GLY137A, GLY137C, LEU112A, LEU112C, LYS12A, LYS12C, LYS166A, LYS166C, PHE357C, PRO114A, PRO114C, PRO129A, PRO129C, PRO163A, PRO163C, THR162A, THR162C, TYR124A, TYR124C, VAL138A, VAL138C, VAL139A, VAL139C, VAL140A, VAL140C
• A-D: ARG6A, ARG6D, ARG7A, ARG7D, ASP113A, ASP113D, PRO114A, PRO114D, SER5A, SER5D
• B-C: ARG6B, ARG6C, ARG7B, ARG7C, ASP113B, ASP113C, PRO114B, PRO114C, SER5B, SER5C
• B-D: ALA10B, ALA10D, ARG133B, ARG133D, ARG164B, ARG164D, ARG6B, ARG6D, ASP113B, ASP113D, ASP116B, ASP116D, GLU117B, GLU117D, GLU130B, GLU130D, GLU141B, GLY115B, GLY115D, GLY136B, GLY136D, GLY137B, GLY137D, LEU112B, LEU112D, LYS12B, LYS12D, LYS166B, LYS166D, PRO114B, PRO114D, PRO129B, PRO129D, PRO163B, PRO163D, THR162B, THR162D, TYR124B, VAL138B, VAL138D, VAL139B, VAL139D, VAL140B, VAL140D
• C-D: ALA103C, ALA103D, ALA110C, ALA110D, ALA135C, ALA135D, ALA15C, ALA15D, ALA167C, ALA167D, ALA18C, ALA18D, ALA193C, ALA193D, ALA21C, ALA21D, ALA222C, ALA222D, ALA233C, ALA233D, ALA237C, ALA237D, ALA255C, ALA255D, ALA257C, ALA257D, ALA271C, ALA271D, ALA274C, ALA274D, ALA365C, ALA365D, ALA38C, ALA38D, ALA52C, ALA52D, ALA53C, ALA53D, ALA56C, ALA56D, ALA58C, ALA58D, ALA65C, ALA65D, ALA68C, ALA68D, ARG133C, ARG133D, ARG164C, ARG164D, ARG242C, ARG242D, ARG28C, ARG28D, ARG2C, ARG2D, ARG54C, ARG54D, ARG55C, ARG55D, ARG6C, ARG6D, ARG7C, ARG7D, ASN106C, ASN106D, ASN20C, ASN20D, ASP113C, ASP113D, ASP116C, ASP116D, ASP197C, ASP197D, ASP268C, ASP268D, ASP42C, ASP42D, ASP44C, ASP44D, GLN102C, GLN102D, GLN109C, GLN109D, GLN262C, GLN262D, GLN272C, GLN272D, GLN59C, GLN59D, GLN9C, GLN9D, GLU117C, GLU117D, GLU130C, GLU130D, GLU224C, GLU224D, GLU251C, GLU251D, GLU40C, GLU40D, GLU47C, GLU47D, GLU51C, GLU51D, GLU72C, GLU72D, GLY100C, GLY100D, GLY115C, GLY115D, GLY136C, GLY136D, GLY137C, GLY137D, GLY240C, GLY240D, GLY39C, GLY39D, GLY3C, GLY3D, GLY60C, GLY60D, GLY99C, GLY99D, HIS196C, HIS196D, HIS225C, HIS225D, ILE111C, ILE111D, ILE161C, ILE161D, ILE205C, ILE205D, ILE243C, ILE243D, ILE253C, ILE253D, ILE270C, ILE270D, LEU104C, LEU104D, LEU107C, LEU107D, LEU112C, LEU112D, LEU200C, LEU200D, LEU227C, LEU227D, LEU24C, LEU24D, LEU4C, LEU4D, LEU57C, LEU57D, LYS101C, LYS101D, LYS12C, LYS12D, LYS166C, LYS166D, LYS234C, LYS234D, LYS250C, LYS250D, LYS254C, LYS254D, LYS50C, LYS50D, LYS61C, LYS61D, LYS63C, LYS63D, MET11C, MET11D, MET131C, MET131D, MET1C, MET1D, MET238C, MET238D, MET256C, MET256D, PHE105C, PHE105D, PHE108C, PHE108D, PHE134C, PHE134D, PHE198C, PHE198D, PHE236C, PHE236D, PHE288C, PHE288D, PHE321C, PHE321D, PHE43C, PHE43D, PRO114C, PRO114D, PRO129C, PRO129D, PRO13C, PRO13D, PRO163C, PRO163D, PRO223C, PRO223D, PRO249C, PRO249D, PRO267C, PRO267D, PRO41C, PRO41D, PRO46C, PRO46D, PRO66C, PRO66D, PRO67C, PRO67D, PRO71C, PRO71D, SER127C, SER127D, SER14C, SER14D, SER258C, SER258D, SER260C, SER260D, SER261C, SER261D, SER263C, SER263D, SER266C, SER266D, SER5C, SER5D, THR162C, THR162D, THR165C, THR165D, THR16C, THR16D, THR226C, THR226D, THR239C, THR239D, THR264C, THR264D, THR265C, THR265D, THR269C, THR269D, THR45C, THR45D, THR62C, THR62D, THR97C, THR97D, TRP125C, TRP125D, TRP241C, TRP241D, TYR128C, TYR128D, TYR199C, TYR199D, TYR206C, TYR206D, TYR296C, TYR296D, TYR322C, TYR322D, TYR64C, TYR64D, VAL126C, VAL126D, VAL132C, VAL132D, VAL17C, VAL17D, VAL194C, VAL194D, VAL252C, VAL252D, VAL259C, VAL259D, VAL49C, VAL49D, VAL8C, VAL8D, VAL98C, VAL98D