1YO6

crystal structure of the putative carbonyl reductase sniffer of caenorhabditis elegans

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 182
  • Norm. En. per Res.: -4.4272
• 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	-78.497	-95.1098	-622.736	-796.3428	182	32	12	24786	5	20	23
A-C	0.0	0.0	-150.776	-150.776	71	19	2	5584	0	1	4
A-D	0.0	-7.7945	-2.0177	-9.8122	12	0	0	164	1	5	6
B-C	-9.1763	-3.1342	-16.8445	-29.1549	26	2	0	792	1	11	11
B-E	-4.5168	-1.5364	-36.1471	-42.2004	39	3	0	2052	0	19	19
C-D	-78.3913	-102.6226	-599.818	-780.8319	184	32	12	24748	6	20	23
E-F	-87.0394	-101.3451	-617.359	-805.7435	182	34	12	24977	6	20	23

Interface residues

• A-B: ALA104A, ALA104B, ALA107A, ALA107B, ALA165A, ALA165B, ALA171A, ALA171B, ALA177A, ALA177B, ALA178A, ALA178B, ALA187A, ALA187B, ARG103A, ARG103B, ARG173A, ARG173B, ARG184A, ARG184B, ARG239A, ARG239B, ASN102A, ASN102B, ASN160A, ASN160B, ASN180A, ASN180B, ASN98A, ASN98B, ASP111A, ASP111B, ASP159A, ASP159B, ASP189A, ASP189B, ASP193A, ASP193B, ASP63A, ASP63B, ASP67A, ASP67B, CYS62A, CYS62B, GLN109A, GLN109B, GLN122A, GLN122B, GLN166A, GLN166B, GLU100A, GLU100B, GLU108A, GLU108B, GLU249A, GLU249B, GLY153A, GLY153B, GLY155A, GLY155B, GLY163A, GLY163B, GLY183A, GLY183B, GLY238A, GLY238B, GLY96A, GLY96B, ILE106A, ILE106B, ILE157A, ILE157B, ILE179A, ILE179B, LEU110A, LEU110B, LEU119A, LEU119B, LEU120A, LEU120B, LEU124A, LEU124B, LEU125A, LEU125B, LEU154A, LEU154B, LEU170A, LEU170B, LEU186A, LEU186B, LEU190A, LEU190B, LEU58A, LEU58B, LEU66A, LEU66B, LYS123A, LYS123B, LYS129A, LYS129B, LYS176A, LYS176B, LYS191A, LYS191B, LYS64A, LYS64B, MET174A, MET174B, MET181A, MET181B, PHE167A, PHE167B, PHE182A, PHE182B, PHE240A, PHE240B, PHE250A, PHE250B, PRO101A, PRO101B, PRO126A, PRO126B, PRO168A, PRO168B, SER116A, SER116B, SER152A, SER152B, SER156A, SER156B, SER162A, SER162B, SER164A, SER164B, SER175A, SER175B, SER65A, SER65B, THR114A, THR114B, THR115A, THR115B, THR121A, THR121B, THR158A, THR158B, THR161A, THR161B, THR185A, THR185B, THR59A, THR59B, THR61A, THR61B, THR97A, THR97B, THR99A, THR99B, TYR172A, TYR172B, TYR248A, TYR248B, TYR95A, TYR95B, VAL105A, VAL105B, VAL112A, VAL112B, VAL117A, VAL117B, VAL118A, VAL118B, VAL169A, VAL169B, VAL188A, VAL188B, VAL197A, VAL197B, VAL60A, VAL60B, VAL70A, VAL70B
• A-C: ALA165A, ALA165C, ARG173A, ARG173C, ARG243A, ARG243C, ASN160A, ASN160C, ASN98A, ASN98C, ASP159A, CYS201C, GLN166A, GLN166C, GLN206C, GLN220A, GLN220C, GLU100A, GLU100C, GLY153A, GLY153C, GLY155A, GLY155C, GLY163A, GLY163C, GLY203A, GLY203C, GLY96A, GLY96C, ILE157A, LEU154A, LEU154C, LEU92A, LEU92C, LYS176C, LYS246A, MET242A, MET242C, PHE167A, PHE167C, PHE240C, PRO101A, PRO168A, PRO168C, PRO202C, SER151C, SER152C, SER156A, SER162A, SER162C, SER164A, SER164C, SER221C, SER94C, THR158A, THR161A, THR161C, THR207C, THR99A, THR99C, TRP204A, TRP204C, TYR172A, TYR172C, TYR248A, TYR248C, TYR95C, VAL169A, VAL169C, VAL205C, VAL218C
• A-D: ASN244A, ASP159A, ASP189D, ASP192D, ASP193D, GLU249A, LYS129D, LYS191D, LYS246A, PRO247A, THR161A, VAL188D
• B-C: ARG144B, ARG184B, ARG243C, ASN160C, ASN194B, ASN244C, ASP138B, ASP159C, ASP189B, ASP192B, ASP193B, GLN166C, GLY137B, GLY153C, LEU190B, LYS129B, LYS191B, LYS246C, MET181B, MET242C, PRO247C, SER162C, THR161C, THR185B, TYR248C, VAL188B
• B-E: ALA223E, ALA42B, ARG13B, ARG243E, ASN12B, ASN230E, ASN244E, ASP138E, ASP233E, ASP38B, GLN139E, GLN166B, GLN220E, GLN22E, GLU135E, GLU224E, GLU40B, GLU44B, GLY137E, GLY14B, HIS236E, ILE226E, LEU17B, LEU232E, LEU245E, LEU45B, LYS231E, LYS246E, LYS25E, LYS41B, PHE167B, PHE229E, PRO247E, SER136E, SER141E, SER227E, SER228E, SER47B, THR43B
• C-D: ALA104C, ALA104D, ALA107C, ALA107D, ALA165C, ALA165D, ALA171C, ALA171D, ALA177C, ALA177D, ALA178C, ALA178D, ALA187C, ALA187D, ARG103C, ARG103D, ARG173C, ARG173D, ARG184C, ARG184D, ARG239C, ARG239D, ASN102C, ASN102D, ASN160C, ASN160D, ASN180C, ASN180D, ASN199D, ASN98C, ASN98D, ASP111C, ASP111D, ASP159C, ASP159D, ASP189C, ASP189D, ASP192D, ASP193C, ASP193D, ASP63C, ASP63D, ASP67C, ASP67D, CYS62C, CYS62D, GLN109C, GLN109D, GLN122C, GLN122D, GLN166C, GLN166D, GLU100C, GLU100D, GLU108C, GLU108D, GLU249C, GLU249D, GLY153C, GLY153D, GLY155C, GLY155D, GLY163C, GLY163D, GLY183C, GLY183D, GLY238C, GLY238D, GLY96C, GLY96D, ILE106C, ILE106D, ILE157C, ILE157D, ILE179C, ILE179D, LEU110C, LEU110D, LEU119C, LEU119D, LEU120C, LEU120D, LEU124C, LEU124D, LEU125C, LEU125D, LEU154C, LEU154D, LEU170C, LEU170D, LEU186C, LEU186D, LEU190C, LEU190D, LEU58C, LEU58D, LEU66C, LEU66D, LYS123C, LYS123D, LYS129C, LYS129D, LYS176C, LYS176D, LYS191C, LYS191D, LYS64C, LYS64D, MET174C, MET174D, MET181C, MET181D, PHE167C, PHE167D, PHE182C, PHE182D, PHE240C, PHE240D, PHE250C, PHE250D, PRO101C, PRO101D, PRO126C, PRO126D, PRO168C, PRO168D, SER116C, SER116D, SER152C, SER152D, SER156C, SER156D, SER162C, SER162D, SER164C, SER164D, SER175C, SER175D, SER65C, SER65D, THR114C, THR114D, THR115C, THR115D, THR121C, THR121D, THR158C, THR158D, THR161C, THR161D, THR185C, THR185D, THR59C, THR59D, THR61C, THR61D, THR97C, THR97D, THR99C, THR99D, TYR172C, TYR172D, TYR248C, TYR248D, TYR95C, TYR95D, VAL105C, VAL105D, VAL112C, VAL112D, VAL117C, VAL117D, VAL118C, VAL118D, VAL169C, VAL169D, VAL188C, VAL188D, VAL197C, VAL197D, VAL60C, VAL60D, VAL70C, VAL70D
• E-F: ALA104E, ALA104F, ALA107E, ALA107F, ALA165E, ALA165F, ALA171E, ALA171F, ALA177E, ALA177F, ALA178E, ALA178F, ALA187E, ALA187F, ARG103E, ARG103F, ARG173E, ARG173F, ARG184E, ARG184F, ARG239E, ARG239F, ASN102E, ASN102F, ASN160E, ASN160F, ASN180E, ASN180F, ASN199E, ASN98E, ASN98F, ASP111E, ASP111F, ASP159E, ASP159F, ASP189E, ASP189F, ASP193E, ASP193F, ASP63E, ASP63F, ASP67E, ASP67F, CYS62E, CYS62F, GLN109E, GLN109F, GLN122E, GLN122F, GLN166E, GLN166F, GLU100E, GLU100F, GLU108E, GLU108F, GLU249E, GLU249F, GLY153E, GLY153F, GLY155E, GLY155F, GLY163E, GLY163F, GLY183E, GLY183F, GLY238E, GLY238F, GLY96E, GLY96F, ILE106E, ILE106F, ILE157E, ILE157F, ILE179E, ILE179F, LEU110E, LEU110F, LEU119E, LEU119F, LEU120E, LEU120F, LEU124E, LEU124F, LEU125E, LEU125F, LEU154E, LEU154F, LEU170E, LEU170F, LEU186E, LEU186F, LEU190E, LEU190F, LEU58E, LEU58F, LEU66E, LEU66F, LYS123E, LYS123F, LYS129E, LYS129F, LYS176E, LYS176F, LYS191E, LYS191F, LYS64E, LYS64F, MET174E, MET174F, MET181E, MET181F, PHE167E, PHE167F, PHE182E, PHE182F, PHE240E, PHE240F, PHE250E, PHE250F, PRO101E, PRO101F, PRO126E, PRO126F, PRO168E, SER116E, SER116F, SER152E, SER152F, SER156E, SER156F, SER162E, SER162F, SER164E, SER164F, SER175E, SER175F, SER65E, SER65F, THR114E, THR114F, THR115E, THR115F, THR121E, THR121F, THR158E, THR158F, THR161E, THR161F, THR185E, THR185F, THR59E, THR59F, THR61E, THR61F, THR97E, THR97F, THR99E, THR99F, TYR172E, TYR172F, TYR248E, TYR248F, TYR95E, TYR95F, VAL105E, VAL105F, VAL112E, VAL112F, VAL117E, VAL117F, VAL118E, VAL118F, VAL169E, VAL169F, VAL188E, VAL188F, VAL197E, VAL197F, VAL60E, VAL60F, VAL70E, VAL70F