1UDY

medium-chain acyl-coa dehydrogenase with 3-thiaoctanoyl-coa

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 177
  • Norm. En. per Res.: -4.0302
• 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	-116.9082	14.7307	-432.368	-534.5456	163	28	4	16753	3	39	34
A-C	-22.8756	0.0	-35.3409	-58.2165	22	3	0	1264	0	4	5
A-D	-53.9665	-61.7579	-597.625	-713.3493	177	22	24	23891	5	55	43
B-C	-67.8788	-64.2236	-552.392	-684.4944	171	28	21	22848	6	53	41
B-D	-13.8638	0.0	-43.3658	-57.2296	22	5	0	1416	0	4	5
C-D	-99.8358	12.6554	-416.129	-503.3094	162	30	4	16610	1	39	33

Interface residues

• A-B: ALA140A, ALA140B, ALA145A, ALA145B, ALA337B, ALA344A, ALA344B, ALA347A, ALA347B, ALA369A, ALA369B, ALA379A, ALA379B, ARG210A, ARG210B, ARG218A, ARG218B, ARG223B, ARG281A, ARG281B, ARG367A, ARG367B, ARG383A, ARG383B, ARG44A, ARG44B, ASN214A, ASN214B, ASN341A, ASN341B, ASN354A, ASN354B, ASN357A, ASN357B, ASP143A, ASP143B, ASP338A, ASP338B, ASP346A, ASP346B, ASP368A, ASP368B, GLN217A, GLN217B, GLN342A, GLN342B, GLN349A, GLN349B, GLN373A, GLN373B, GLN380A, GLN380B, GLN382A, GLU137A, GLU137B, GLU212A, GLU212B, GLU359A, GLU359B, GLU363A, GLU363B, GLY139A, GLY139B, GLY141A, GLY141B, GLY146A, GLY146B, GLY216A, GLY216B, GLY285A, GLY285B, GLY293A, GLY293B, GLY352A, GLY352B, GLY353A, GLY353B, GLY355A, GLY355B, GLY377A, HIS291A, HIS291B, ILE213A, ILE213B, ILE294A, ILE294B, ILE371A, ILE371B, ILE374A, ILE374B, ILE381A, ILE381B, ILE384A, ILE384B, LEU288A, LEU288B, LEU297A, LEU297B, LEU365B, LYS148A, LYS211A, LYS211B, LYS282A, LYS282B, LYS286A, LYS286B, LYS333A, LYS364A, LYS364B, LYS370A, LYS370B, MET165A, MET165B, MET215A, MET215B, MET366A, MET366B, PHE245A, PHE245B, PHE284A, PHE284B, PHE351A, PHE351B, PHE356A, PHE356B, PRO138A, PRO138B, SER142A, SER142B, SER220A, SER220B, THR136A, THR136B, THR222A, THR222B, THR283A, THR283B, THR345A, THR345B, THR358A, THR358B, THR378A, THR378B, THR92A, THR96B, TRP166A, TRP166B, TYR277A, TYR277B, TYR360A, TYR360B, TYR372A, TYR372B, TYR375A, TYR375B, VAL144A, VAL144B, VAL348A, VAL348B, VAL350A, VAL350B, VAL362A, VAL362B
• A-C: GLN292A, GLN292C, GLU290A, GLU290C, GLY293A, GLY293C, HIS291A, HIS291C, ILE294A, ILE294C, LEU288A, LEU288C, LEU297A, LEU297C, LYS286A, LYS286C, PHE284A, PHE284C, PHE296A, PHE296C, SER295A, SER295C
• A-D: ALA270A, ALA274A, ALA274D, ALA278A, ALA278D, ALA289A, ALA289D, ALA299A, ALA299D, ALA302A, ALA302D, ALA308A, ALA308D, ALA315A, ALA315D, ALA316A, ALA316D, ALA332A, ALA332D, ALA334A, ALA334D, ALA336A, ALA336D, ALA379A, ALA379D, ALA387A, ALA387D, ARG269A, ARG269D, ARG309A, ARG309D, ARG314A, ARG314D, ARG323A, ARG323D, ARG32A, ARG32D, ARG383A, ARG383D, ARG388A, ARG388D, ARG393A, ARG393D, ASP272A, ASP272D, ASP300A, ASP300D, ASP320A, ASP320D, ASP338A, ASP338D, ASP79A, ASP79D, CYS81A, CYS81D, GLN20A, GLN20D, GLN24A, GLN24D, GLN268A, GLN268D, GLN292A, GLN292D, GLN313A, GLN313D, GLN380A, GLN380D, GLN382A, GLN382D, GLU15A, GLU15D, GLU18A, GLU18D, GLU273A, GLU273D, GLU290A, GLU290D, GLU306A, GLU306D, GLU318A, GLU318D, GLU389A, GLU389D, GLY11A, GLY11D, GLY392A, GLY392D, HIS390A, HIS390D, ILE294A, ILE294D, ILE331A, ILE331D, ILE339A, ILE339D, ILE381A, ILE381D, ILE384A, ILE384D, ILE385A, ILE385D, ILE386A, ILE386D, ILE391A, ILE391D, ILE78A, ILE78D, LEU16A, LEU16D, LEU271A, LEU271D, LEU279A, LEU279D, LEU287A, LEU287D, LEU288D, LEU297A, LEU297D, LEU298A, LEU298D, LEU307A, LEU307D, LEU310A, LEU310D, LEU82A, LEU82D, LYS21A, LYS21D, LYS276A, LYS276D, LYS304A, LYS304D, LYS333D, LYS395A, LYS395D, MET301A, MET301D, MET303A, MET303D, PHE12A, PHE12D, PHE14A, PHE14D, PHE296A, PHE296D, SER13A, SER13D, SER295A, SER295D, SER311A, SER311D, SER321A, SER321D, SER330A, SER330D, THR17A, THR17D, THR275A, THR275D, THR378D, TRP317A, TRP317D, TYR277D, TYR312A, TYR312D, TYR327A, TYR327D, TYR328A, TYR328D, TYR335A, TYR335D, TYR394A, TYR394D, TYR89A, TYR89D, VAL305A, VAL305D
• B-C: ALA274B, ALA274C, ALA278B, ALA278C, ALA289B, ALA289C, ALA299B, ALA299C, ALA302B, ALA302C, ALA308B, ALA308C, ALA315B, ALA315C, ALA316B, ALA316C, ALA332B, ALA332C, ALA334B, ALA334C, ALA336B, ALA336C, ALA379B, ALA379C, ALA387B, ALA387C, ARG269B, ARG309B, ARG309C, ARG314B, ARG314C, ARG323B, ARG323C, ARG383B, ARG383C, ARG388B, ARG388C, ARG393B, ARG393C, ASP272B, ASP272C, ASP300B, ASP300C, ASP320B, ASP320C, ASP338B, ASP338C, ASP79B, ASP79C, CYS81B, GLN20B, GLN20C, GLN24B, GLN24C, GLN268B, GLN268C, GLN292B, GLN292C, GLN313B, GLN313C, GLN342B, GLN380B, GLN380C, GLN382B, GLN382C, GLU15B, GLU15C, GLU18B, GLU18C, GLU273B, GLU290B, GLU290C, GLU306B, GLU306C, GLU318B, GLU318C, GLU389B, GLU389C, GLY11B, GLY11C, GLY392B, GLY392C, HIS390B, HIS390C, ILE294B, ILE294C, ILE331B, ILE331C, ILE339B, ILE339C, ILE381B, ILE381C, ILE384B, ILE384C, ILE385B, ILE385C, ILE386B, ILE386C, ILE391B, ILE391C, ILE78B, ILE78C, LEU16B, LEU16C, LEU271B, LEU271C, LEU279B, LEU279C, LEU287B, LEU288B, LEU288C, LEU297B, LEU297C, LEU298B, LEU298C, LEU307B, LEU307C, LEU310B, LEU310C, LEU82B, LEU82C, LYS21B, LYS21C, LYS276B, LYS276C, LYS304B, LYS304C, LYS333B, LYS333C, LYS395C, MET301B, MET301C, MET303B, MET303C, PHE12B, PHE12C, PHE14B, PHE14C, PHE296B, PHE296C, SER13B, SER13C, SER295B, SER295C, SER311B, SER311C, SER321B, SER321C, SER330B, SER330C, THR17B, THR17C, THR275B, THR275C, THR378B, THR378C, TRP317B, TRP317C, TYR277B, TYR312B, TYR312C, TYR327B, TYR327C, TYR328B, TYR328C, TYR335B, TYR335C, TYR394C, TYR89B, VAL305B, VAL305C
• B-D: GLN292B, GLN292D, GLU290B, GLU290D, GLY293B, GLY293D, HIS291B, HIS291D, ILE294B, ILE294D, LEU288B, LEU288D, LEU297B, LEU297D, LYS286B, LYS286D, PHE284B, PHE284D, PHE296B, PHE296D, SER295B, SER295D
• C-D: ALA140C, ALA140D, ALA145C, ALA145D, ALA337C, ALA344C, ALA344D, ALA347C, ALA347D, ALA369C, ALA369D, ALA379C, ALA379D, ARG210C, ARG210D, ARG218C, ARG218D, ARG223C, ARG281C, ARG281D, ARG367C, ARG367D, ARG383C, ARG383D, ARG44C, ARG44D, ASN214C, ASN214D, ASN341C, ASN341D, ASN354C, ASN354D, ASN357C, ASN357D, ASP143C, ASP143D, ASP338C, ASP338D, ASP346C, ASP346D, ASP368C, ASP368D, GLN217C, GLN217D, GLN342C, GLN342D, GLN349C, GLN349D, GLN373C, GLN373D, GLN380C, GLN380D, GLN382D, GLU137C, GLU137D, GLU212C, GLU212D, GLU359C, GLU359D, GLU363C, GLU363D, GLY139C, GLY139D, GLY141C, GLY141D, GLY146C, GLY146D, GLY216C, GLY216D, GLY285C, GLY285D, GLY293C, GLY293D, GLY352C, GLY352D, GLY353C, GLY353D, GLY355C, GLY355D, GLY377D, HIS291C, HIS291D, ILE213C, ILE213D, ILE294C, ILE294D, ILE371C, ILE371D, ILE374C, ILE374D, ILE381C, ILE381D, ILE384C, ILE384D, LEU288C, LEU288D, LEU297C, LEU297D, LYS148C, LYS211C, LYS211D, LYS282C, LYS282D, LYS286C, LYS286D, LYS333D, LYS364C, LYS364D, LYS370C, LYS370D, MET165C, MET165D, MET215C, MET215D, MET366C, MET366D, PHE245C, PHE245D, PHE284C, PHE284D, PHE351C, PHE351D, PHE356C, PHE356D, PRO138C, PRO138D, SER142C, SER142D, SER220C, SER220D, THR136C, THR136D, THR222C, THR222D, THR283C, THR283D, THR345C, THR345D, THR358C, THR358D, THR378C, THR378D, THR92C, THR92D, TRP166C, TRP166D, TYR277C, TYR277D, TYR360C, TYR360D, TYR372C, TYR372D, TYR375C, TYR375D, VAL144C, VAL144D, VAL348C, VAL348D, VAL350C, VAL350D, VAL362C, VAL362D