3RF5

ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentaflouro- benzyl)-4-sulfamoyl-benzamide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 108
  • Norm. En. per Res.: -5.6703
• Hub Node: A(2)

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	-116.7908	-112.6427	-369.394	-598.8275	106	17	10	14050	11	29	23
A-C	-123.5409	-113.7994	-378.069	-615.4094	109	20	10	14423	12	29	24
B-C	-136.7271	-100.6161	-375.053	-612.3961	108	19	9	14264	12	29	23

Interface residues

• A-B: ALA114B, ALA115B, ALA116B, ALA16B, ALA27B, ALA38B, ALA43B, ALA51A, ALA57A, ALA69A, ALA6A, ALA6B, ARG21B, ARG34B, ARG36B, ARG46A, ARG4A, ARG4B, ARG53A, ARG74A, ASN109B, ASN17B, ASN35B, ASN72A, ASN8A, ASP100A, ASP100B, ASP11B, ASP13B, ASP24B, ASP70A, ASP71A, ASP92A, GLN102B, GLN45A, GLN45B, GLN77A, GLN81A, GLN84A, GLU19B, GLU20B, GLU40B, GLU62B, GLY107B, GLY110B, GLY50A, HIS105B, HIS49A, HIS75A, ILE104B, ILE37B, ILE39B, ILE47A, ILE59A, ILE64B, ILE73A, ILE79A, ILE95A, ILE96A, LEU101B, LEU22B, LEU42A, LEU42B, LEU67A, LEU87B, LYS12B, LYS60A, LYS60B, LYS78A, LYS91A, LYS93A, MET2B, PHE108B, PHE18B, PHE99A, PHE99B, PRO103B, PRO10B, PRO15B, PRO1B, PRO33B, PRO90A, SER52A, SER63B, SER68A, THR111B, THR112B, THR23B, THR48A, THR76A, THR7A, THR7B, THR80A, THR97A, TYR98A, VAL106B, VAL113B, VAL14B, VAL3B, VAL41B, VAL56A, VAL58A, VAL5A, VAL5B, VAL61A, VAL94A
• A-C: ALA114A, ALA115A, ALA116A, ALA16A, ALA27A, ALA38A, ALA43A, ALA51C, ALA57C, ALA69C, ALA6A, ALA6C, ARG21A, ARG34A, ARG36A, ARG46C, ARG4A, ARG4C, ARG53C, ARG74C, ASN109A, ASN17A, ASN35A, ASN72C, ASN8C, ASP100A, ASP100C, ASP11A, ASP13A, ASP24A, ASP70C, ASP71C, ASP92C, GLN102A, GLN45A, GLN45C, GLN77C, GLN81C, GLN84C, GLU19A, GLU20A, GLU40A, GLU40C, GLU62A, GLY107A, GLY110A, GLY44C, GLY50C, GLY65C, HIS105A, HIS49C, HIS75C, ILE104A, ILE37A, ILE39A, ILE47C, ILE59C, ILE64A, ILE73C, ILE79C, ILE95C, ILE96C, LEU101A, LEU22A, LEU42A, LEU42C, LEU67C, LEU87A, LYS12A, LYS60A, LYS60C, LYS78C, LYS91C, LYS93C, MET2A, PHE108A, PHE18A, PHE99A, PHE99C, PRO103A, PRO10A, PRO15A, PRO1A, PRO33A, PRO90C, SER52C, SER63A, SER68C, THR111A, THR112A, THR23A, THR48C, THR76C, THR7A, THR7C, THR80C, THR97C, TYR98C, VAL106A, VAL113A, VAL14A, VAL3A, VAL41A, VAL56C, VAL58C, VAL5A, VAL5C, VAL61C, VAL94C
• B-C: ALA114C, ALA115C, ALA116C, ALA16C, ALA27C, ALA38C, ALA43C, ALA51B, ALA57B, ALA69B, ALA6B, ALA6C, ARG21C, ARG34C, ARG36C, ARG46B, ARG4B, ARG4C, ARG53B, ARG74B, ASN109C, ASN17C, ASN35C, ASN72B, ASN8B, ASP100B, ASP100C, ASP11C, ASP13C, ASP24C, ASP70B, ASP71B, ASP92B, GLN102C, GLN45B, GLN45C, GLN77B, GLN81B, GLN84B, GLU19C, GLU20C, GLU40B, GLU40C, GLU62C, GLY107C, GLY110C, GLY50B, GLY65B, HIS105C, HIS49B, HIS75B, ILE104C, ILE37C, ILE39C, ILE47B, ILE59B, ILE64C, ILE73B, ILE79B, ILE95B, ILE96B, LEU101C, LEU22C, LEU42B, LEU42C, LEU67B, LEU87C, LYS12C, LYS60B, LYS60C, LYS78B, LYS91B, LYS93B, MET2C, PHE108C, PHE18C, PHE99B, PHE99C, PRO103C, PRO10C, PRO15C, PRO1C, PRO33C, PRO90B, SER52B, SER63C, SER68B, THR111C, THR112C, THR23C, THR48B, THR76B, THR7B, THR7C, THR80B, THR97B, TYR98B, VAL106C, VAL113C, VAL14C, VAL3C, VAL41C, VAL56B, VAL58B, VAL5B, VAL5C, VAL61B, VAL94B