2HG4

structure of the ketosynthase-acyltransferase didomain of module 5 from debs.

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 272
  • Norm. En. per Res.: -2.9984
• Hub Node: C(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	-92.9869	-102.0387	-673.646	-868.6716	292	24	19	27896	15	103	94
A-E	0.0	15.6605	-13.1419	2.5186	25	1	0	768	0	13	17
C-D	-84.2889	-62.4073	-685.834	-832.5303	291	20	20	28545	13	104	96
C-E	-9.2478	12.1473	-10.0183	-7.1188	25	15	0	1395	0	17	21
C-F	0.0	10.4237	-47.236	-36.8123	71	0	2	2335	3	38	35
D-E	0.0	-14.7075	-65.6098	-80.3173	48	0	0	3039	0	16	24
E-F	-76.6574	-86.629	-652.29	-815.5764	272	27	17	26226	13	96	79

Interface residues

• A-B: ALA142A, ALA142B, ALA161A, ALA161B, ALA174A, ALA174B, ALA178A, ALA178B, ALA183A, ALA183B, ALA192A, ALA192B, ALA198A, ALA198B, ALA234A, ALA234B, ALA28A, ALA28B, ALA292A, ALA292B, ALA298A, ALA298B, ALA304A, ALA304B, ALA309A, ALA309B, ALA37A, ALA37B, ALA446A, ALA446B, ARG139A, ARG139B, ARG13A, ARG13B, ARG14A, ARG14B, ARG157A, ARG157B, ARG181A, ARG181B, ARG18A, ARG18B, ARG214A, ARG214B, ARG215A, ARG215B, ARG239A, ARG239B, ARG29A, ARG29B, ARG312A, ARG312B, ARG316A, ARG316B, ARG31A, ARG31B, ARG87A, ARG87B, ASN294A, ASN294B, ASN300A, ASN300B, ASN320A, ASN320B, ASN445A, ASN445B, ASP153A, ASP153B, ASP159A, ASP159B, ASP163A, ASP163B, ASP196A, ASP196B, ASP24A, ASP24B, ASP296A, ASP296B, CB9.428059.83457, CYS185A, CYS185B, CYS199A, CYS199B, CYS218A, CYS218B, GLN117A, GLN117B, GLN241A, GLN241B, GLN295A, GLN295B, GLU109A, GLU109B, GLU10A, GLU10B, GLU160A, GLU160B, GLU189A, GLU189B, GLU211A, GLU211B, GLU217A, GLU217B, GLU22A, GLU22B, GLU237A, GLU237B, GLU32A, GLU32B, GLU34A, GLU34B, GLU81A, GLU81B, GLU9A, GLU9A5, GLU9B, GLY140A, GLY140B, GLY144A, GLY144B, GLY150A, GLY150B, GLY155A, GLY155B, GLY167A, GLY167B, GLY170A, GLY170B, GLY172A, GLY172B, GLY180A, GLY180B, GLY187A, GLY187B, GLY190A, GLY190B, GLY233A, GLY233B, GLY242A, GLY242B, GLY297A, GLY297B, GLY301A, GLY301B, GLY38A, GLY440A, GLY440B, GLY443A, GLY443B, HIS207A, HIS207B, HIS35B, ILE105A, ILE105B, ILE441A, ILE441B, ILE901A, ILE901B, LEU121A, LEU121B, LEU12A, LEU12B, LEU166A, LEU166B, LEU16A, LEU16B, LEU186A, LEU186B, LEU188A, LEU188B, LEU208A, LEU208B, LEU23A, LEU23B, LEU302A, LEU302B, LEU30A, LEU30B, LYS11A, LYS11B, LYS17A, LYS17B, PHE146A, PHE146B, PHE235A, PHE235B, PHE238A, PHE238B, PRO156A, PRO156B, PRO158A, PRO158B, PRO191A, PRO191B, PRO232A, PRO232B, PRO308A, PRO308B, PRO900A, PRO900B, SER141A, SER141B, SER175A, SER175B, SER176A, SER176B, SER179A, SER179B, SER200A, SER200B, SER201A, SER201B, SER212A, SER212B, SER231A, SER231B, SER240A, SER240B, SER25A, SER25B, SER291A, SER291B, SER299A, SER299B, SER306A, SER306B, SER442A, SER442B, THR143A, THR143B, THR147A, THR147B, THR151A, THR151B, THR171A, THR171B, THR173A, THR173B, THR194A, THR194B, THR197A, THR197B, THR19A, THR19B, THR204A, THR204B, THR21A, THR21B, THR236A, THR236B, THR27A, THR27B, THR303A, THR303B, THR444A, THR444B, TRP80A, TRP80B, TYR154A, TYR154B, TYR15A, TYR15B, TYR168A, TYR168B, TYR184A, TYR184B, VAL145A, VAL145B, VAL149A, VAL149B, VAL152A, VAL152B, VAL165A, VAL165B, VAL169A, VAL169B, VAL177A, VAL177B, VAL182A, VAL182B, VAL195A, VAL195B, VAL20A, VAL20B, VAL26A, VAL26B, VAL293A, VAL293B, VAL313A, VAL313B, VAL33A, VAL33B
• A-E: ALA604E, ARG569E, ARG573E, ARG583E, ARG605A, ARG605E, ARG609A, ARG672A, ASP570E, ASP594A, ASP599A, ASP599E, ASP608A, GLU574E, GLY466E, GLY603A, GLY603E, LEU572E, LEU600A, PRO467E, PRO606A, SER596A, SER602E, THR598E, TRP595A
• C-D: ALA142C, ALA142D, ALA161C, ALA161D, ALA174C, ALA174D, ALA178C, ALA178D, ALA183C, ALA183D, ALA192C, ALA192D, ALA198C, ALA198D, ALA234C, ALA234D, ALA28C, ALA28D, ALA292C, ALA292D, ALA298C, ALA298D, ALA304C, ALA304D, ALA309C, ALA309D, ALA37C, ALA37D, ALA446C, ALA446D, ARG139C, ARG139D, ARG13C, ARG13D, ARG14C, ARG14D, ARG157C, ARG157D, ARG181C, ARG181D, ARG18C, ARG18D, ARG214C, ARG214D, ARG215C, ARG215D, ARG239C, ARG239D, ARG29C, ARG29D, ARG312C, ARG312D, ARG316C, ARG316D, ARG31C, ARG31D, ARG87C, ARG87D, ASN294C, ASN294D, ASN300C, ASN300D, ASN320C, ASN320D, ASN445C, ASN445D, ASP153C, ASP153D, ASP159C, ASP159D, ASP163C, ASP163D, ASP196C, ASP196D, ASP24C, ASP24D, ASP296C, ASP296D, CYS185C, CYS185D, CYS199C, CYS199D, CYS218C, GLN117C, GLN117D, GLN241C, GLN241D, GLN295C, GLN295D, GLU109C, GLU109D, GLU10C, GLU10D, GLU160C, GLU160D, GLU164D, GLU189C, GLU189D, GLU211C, GLU211D, GLU217C, GLU217D, GLU22C, GLU22D, GLU237C, GLU237D, GLU32C, GLU32D, GLU34C, GLU34D, GLU81C, GLU81D, GLU9C, GLU9D, GLY140C, GLY140D, GLY144C, GLY144D, GLY150C, GLY150D, GLY155C, GLY155D, GLY167C, GLY167D, GLY170C, GLY170D, GLY172C, GLY172D, GLY180C, GLY180D, GLY187C, GLY187D, GLY190C, GLY190D, GLY233C, GLY233D, GLY242C, GLY297C, GLY297D, GLY301C, GLY301D, GLY38C, GLY440C, GLY440D, GLY443C, GLY443D, HIS207C, HIS207D, HIS35C, ILE105C, ILE105D, ILE441C, ILE441D, ILE901C, ILE901D, LEU121C, LEU121D, LEU12C, LEU12D, LEU166C, LEU166D, LEU16C, LEU16D, LEU186C, LEU186D, LEU188C, LEU188D, LEU208C, LEU208D, LEU23C, LEU23D, LEU302C, LEU302D, LEU30C, LEU30D, LYS11C, LYS11D, LYS17C, LYS17D, PHE146C, PHE146D, PHE235C, PHE235D, PHE238C, PHE238D, PRO156C, PRO156D, PRO158C, PRO158D, PRO162D, PRO191C, PRO191D, PRO232C, PRO232D, PRO308C, PRO308D, PRO900C, PRO900D, SER141C, SER141D, SER175C, SER175D, SER176C, SER176D, SER179C, SER179D, SER200C, SER200D, SER201C, SER201D, SER212C, SER212D, SER231C, SER231D, SER240C, SER240D, SER25C, SER25D, SER291C, SER291D, SER299C, SER299D, SER306C, SER306D, SER442C, SER442D, THR143C, THR143D, THR147C, THR147D, THR151C, THR151D, THR171C, THR171D, THR173C, THR173D, THR194C, THR194D, THR197C, THR197D, THR19C, THR19D, THR204C, THR204D, THR21C, THR21D, THR236C, THR236D, THR27C, THR27D, THR303C, THR303D, THR444C, THR444D, THR8D, TRP80C, TRP80D, TYR154C, TYR154D, TYR15C, TYR15D, TYR168C, TYR168D, TYR184C, TYR184D, VAL145C, VAL145D, VAL149C, VAL149D, VAL152C, VAL152D, VAL165C, VAL165D, VAL169C, VAL169D, VAL177C, VAL177D, VAL182C, VAL182D, VAL195C, VAL195D, VAL20C, VAL20D, VAL26C, VAL26D, VAL293C, VAL293D, VAL313C, VAL313D, VAL33C, VAL33D
• C-E: ALA636E, ARG108E, ARG139E, ARG13C, ARG14C, ARG18C, ARG279C, ARG29C, ARG36C, ARG550E, ARG551E, ASP163E, GLU10C, GLU872E, GLU9C, GLY552E, GLY812E, LEU12C, LEU16C, LYS11C, PRO107E, THR19C, THR549E, TYR15C, VAL553E
• C-F: ALA246F, ALA588C, ALA590C, ALA74F, ALA76F, ALA86F, ALA880C, ALA882C, ALA94F, ARG108F, ARG239F, ARG279C, ARG481F, ARG509C, ARG587C, ARG87F, ARG883C, ARG894F, ARG896F, ASN300F, ASP476F, ASP535F, ASP580C, ASP584C, ASP594C, ASP659C, ASP77F, ASP83F, ASP85F, ASP874C, ASP881C, ASP97F, GLN478F, GLN576C, GLN893F, GLN895F, GLU164F, GLU280C, GLU477F, GLU586C, GLU658C, GLU73F, GLY536F, GLY96F, HIS592C, LEU589C, LEU657C, LEU88F, LYS17C, PHE504C, PHE879C, PHE892F, PHE98F, PRO107F, PRO591C, PRO75F, PRO82F, PRO84F, PRO877C, PRO884C, SER240F, SER581C, SER630C, SER767C, SER876C, THR21C, THR656C, TYR897F, VAL577C, VAL593C, VAL766C
• D-E: ALA28D, ALA554E, ALA636E, ALA637E, ALA771E, ALA809E, ALA811E, ALA815E, ALA836E, ALA839E, ALA841E, ARG13D, ARG14D, ARG18D, ARG548E, ARG550E, ARG551E, ARG806E, ASP24D, ASP769E, ASP814E, ASP840E, GLN807E, GLU10D, GLU22D, GLU810E, GLU9D, GLY552E, GLY812E, GLY842E, LEU12D, LEU16D, LEU23D, LEU808E, LEU837E, LYS11D, LYS17D, PHE813E, PRO635E, PRO838E, SER25D, THR21D, THR549E, TYR15D, TYR773E, VAL20D, VAL553E, VAL770E
• E-F: ALA142E, ALA142F, ALA161E, ALA161F, ALA174E, ALA174F, ALA178E, ALA178F, ALA183E, ALA183F, ALA192E, ALA192F, ALA198E, ALA198F, ALA234E, ALA234F, ALA28E, ALA28F, ALA292E, ALA292F, ALA298E, ALA298F, ALA304E, ALA304F, ALA309E, ALA309F, ALA377E, ALA37E, ALA37F, ALA446F, ARG139E, ARG139F, ARG157E, ARG157F, ARG181E, ARG181F, ARG18E, ARG214E, ARG214F, ARG215E, ARG215F, ARG239E, ARG239F, ARG29E, ARG29F, ARG312E, ARG312F, ARG316E, ARG316F, ARG31E, ARG31F, ARG87E, ARG87F, ASN294E, ASN294F, ASN300E, ASN300F, ASN320E, ASN320F, ASN445E, ASN445F, ASP153E, ASP153F, ASP159E, ASP159F, ASP163E, ASP163F, ASP196E, ASP196F, ASP24E, ASP24F, ASP296E, ASP296F, CYS185E, CYS185F, CYS199E, CYS199F, CYS218E, CYS218F, GLN117E, GLN117F, GLN241E, GLN241F, GLN295E, GLN295F, GLU109E, GLU109F, GLU160E, GLU160F, GLU189E, GLU189F, GLU211E, GLU211F, GLU217E, GLU217F, GLU22E, GLU22F, GLU237E, GLU237F, GLU32E, GLU32F, GLU34E, GLU34F, GLU81E, GLU81F, GLY140E, GLY140F, GLY144E, GLY144F, GLY148E, GLY150E, GLY150F, GLY155E, GLY155F, GLY167E, GLY167F, GLY170E, GLY170F, GLY172E, GLY172F, GLY180E, GLY180F, GLY187E, GLY187F, GLY190E, GLY190F, GLY233E, GLY233F, GLY242E, GLY242F, GLY297E, GLY297F, GLY301E, GLY301F, GLY38F, GLY440E, GLY440F, GLY443E, GLY443F, HIS207E, HIS207F, HIS35E, HIS35F, ILE105E, ILE105F, ILE441E, ILE441F, ILE901E, ILE901F, LEU121E, LEU121F, LEU166E, LEU166F, LEU16E, LEU186E, LEU186F, LEU188E, LEU188F, LEU208E, LEU208F, LEU23E, LEU23F, LEU302E, LEU302F, LEU30E, LEU30F, PHE146E, PHE146F, PHE235E, PHE235F, PHE238E, PHE238F, PRO156E, PRO156F, PRO158E, PRO158F, PRO191E, PRO191F, PRO232E, PRO232F, PRO308E, PRO308F, PRO900E, PRO900F, SER141E, SER141F, SER175E, SER175F, SER176E, SER176F, SER179E, SER179F, SER200E, SER200F, SER201E, SER201F, SER212E, SER212F, SER231E, SER231F, SER240E, SER240F, SER25E, SER25F, SER291E, SER291F, SER299E, SER299F, SER306E, SER306F, SER442E, SER442F, THR143E, THR143F, THR147E, THR147F, THR151E, THR151F, THR171E, THR171F, THR173E, THR173F, THR194E, THR194F, THR197E, THR197F, THR19E, THR204E, THR204F, THR21E, THR21F, THR236E, THR236F, THR27E, THR27F, THR303E, THR303F, THR444E, THR444F, TRP80F, TYR154E, TYR154F, TYR168E, TYR168F, TYR184E, TYR184F, VAL145E, VAL145F, VAL149E, VAL149F, VAL152E, VAL152F, VAL165E, VAL165F, VAL169E, VAL169F, VAL177E, VAL177F, VAL182E, VAL182F, VAL195E, VAL195F, VAL20E, VAL20F, VAL26E, VAL26F, VAL293E, VAL293F, VAL313E, VAL313F, VAL33E, VAL33F