2PZH

ybgc thioesterase (hp0496) from helicobacter pylori

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-B
  • Int. Res.: 92
  • Norm. En. per Res.: -5.0095
• 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-C	-8.5793	-4.2472	-102.191	-115.0175	38	3	2	3631	0	10	16
A-D	-35.1877	-132.9759	-278.024	-446.1876	92	12	7	9946	7	20	33
A-B	-81.259	-0.9889	-227.504	-309.7519	96	15	9	9378	0	32	37
C-D	-68.5903	-10.5376	-225.676	-304.8039	94	12	8	9279	2	32	37
C-B	-39.3284	-130.2089	-291.338	-460.8753	92	12	7	10331	8	20	35
D-B	-7.0076	-4.2504	-100.212	-111.47	38	5	2	3503	0	10	16

Interface residues

• A-C: ALA19A, ALA19C, ASN20A, ASN20C, ASP11A, ASP11C, ASP9A, ASP9C, GLU13A, GLU13C, GLU8A, GLU8C, GLY14A, GLY14C, HIS18A, HIS18C, LEU62A, LEU62C, LYS23A, LYS23C, SER12A, SER12C, SER61A, SER61C, THR10A, THR10C, TYR17A, TYR17C, TYR6A, TYR6C, TYR7A, TYR7C, VAL15A, VAL15C, VAL16A, VAL16C, VAL5A, VAL5C
• A-D: ALA28A, ALA28D, ALA92A, ALA92D, ARG114A, ARG114D, ARG27A, ARG27D, ARG29A, ARG29D, ARG2A, ARG2D, ARG4A, ARG4D, ASN20A, ASN20D, ASN37A, ASN37D, ASN42D, ASN91A, ASN91D, ASP9A, ASP9D, CYS25A, CYS25D, CYS3A, CYS3D, GLN36A, GLN36D, GLN64A, GLN64D, GLN90A, GLN90D, GLU26A, GLU26D, GLU31A, GLU31D, GLU41A, GLU41D, GLU8A, GLU8D, GLU95A, GLU95D, GLY45D, GLY63A, GLY63D, LEU22A, LEU22D, LEU39A, LEU39D, LEU62A, LEU62D, LEU94A, LEU94D, LYS23A, LYS23D, LYS35A, LYS35D, MET1A, MET1D, PHE32A, PHE32D, PHE33A, PHE33D, PHE34A, PHE34D, PHE47A, PHE47D, PRO40A, PRO40D, SER30A, SER30D, SER61A, SER61D, SER93A, SER93D, THR10A, THR10D, TYR24A, TYR24D, TYR6A, TYR6D, TYR7A, TYR7D, VAL38A, VAL38D, VAL46A, VAL46D, VAL5A, VAL5D, VAL65A, VAL65D
• A-B: ALA104A, ALA104B, ALA19A, ALA19B, ALA54A, ALA54B, ALA60A, ALA60B, ARG114A, ARG114B, ARG27A, ARG27B, ARG29A, ARG29B, ARG50A, ARG50B, ASN113B, ASN20A, ASN20B, ASP11A, ASP55A, ASP55B, ASP9A, ASP9B, CYS25A, CYS25B, GLU106A, GLU106B, GLU13A, GLU13B, GLU26A, GLU26B, GLU41A, GLU41B, GLU8A, GLU8B, GLY45A, HIS18A, HIS18B, ILE107A, ILE107B, ILE49A, ILE49B, ILE52A, ILE52B, LEU22A, LEU22B, LEU39A, LEU39B, LYS108A, LYS108B, LYS23A, LYS23B, LYS53A, LYS53B, PHE103A, PHE103B, PHE109A, PHE109B, PHE47A, PHE47B, PHE56A, PHE56B, PHE57A, PHE57B, PRO59A, PRO59B, SER105A, SER105B, SER12A, SER12B, SER30A, SER30B, SER51A, SER51B, THR58A, THR58B, TYR117A, TYR117B, TYR17A, TYR17B, TYR21A, TYR21B, TYR24A, TYR24B, VAL102B, VAL112A, VAL112B, VAL15A, VAL15B, VAL16A, VAL16B, VAL46A, VAL46B, VAL48A, VAL48B
• C-D: ALA104C, ALA104D, ALA19C, ALA19D, ALA54C, ALA54D, ARG114C, ARG114D, ARG27C, ARG27D, ARG29C, ARG29D, ARG50C, ARG50D, ASN20C, ASN20D, ASP11C, ASP11D, ASP55C, ASP55D, ASP9C, ASP9D, CYS25C, CYS25D, GLU106C, GLU106D, GLU13C, GLU13D, GLU26C, GLU26D, GLU41C, GLU41D, GLU8C, GLU8D, GLY45D, HIS18C, HIS18D, ILE107C, ILE107D, ILE49C, ILE49D, ILE52C, ILE52D, LEU22C, LEU22D, LEU39C, LEU39D, LYS108C, LYS108D, LYS23C, LYS23D, LYS53C, LYS53D, PHE103C, PHE103D, PHE109C, PHE109D, PHE47C, PHE47D, PHE56C, PHE56D, PHE57C, PHE57D, PRO40D, PRO59C, PRO59D, SER105C, SER105D, SER12C, SER12D, SER30C, SER30D, SER51C, SER51D, THR58C, THR58D, TYR117C, TYR117D, TYR17C, TYR17D, TYR21C, TYR21D, TYR24C, TYR24D, VAL112C, VAL112D, VAL15C, VAL15D, VAL16C, VAL16D, VAL46C, VAL46D, VAL48C, VAL48D
• C-B: ALA28B, ALA28C, ALA92B, ALA92C, ARG114B, ARG114C, ARG27B, ARG27C, ARG29B, ARG29C, ARG2B, ARG4B, ARG4C, ASN20B, ASN20C, ASN37B, ASN37C, ASN42B, ASN42C, ASN91B, ASN91C, ASP9B, ASP9C, CYS25B, CYS3B, CYS3C, GLN36B, GLN36C, GLN64B, GLN64C, GLN90B, GLN90C, GLU26B, GLU26C, GLU31B, GLU31C, GLU41B, GLU41C, GLU8B, GLU8C, GLU95B, GLU95C, GLY45B, GLY45C, GLY63B, GLY63C, LEU22B, LEU22C, LEU39B, LEU39C, LEU62B, LEU62C, LEU94B, LEU94C, LYS23B, LYS23C, LYS35B, LYS35C, MET1B, MET1C, PHE32B, PHE32C, PHE33B, PHE33C, PHE34B, PHE34C, PHE47B, PHE47C, PRO40B, PRO40C, SER30B, SER30C, SER61B, SER61C, SER93B, SER93C, THR10B, THR10C, TYR24B, TYR24C, TYR6B, TYR6C, TYR7B, TYR7C, VAL38B, VAL38C, VAL46B, VAL46C, VAL5B, VAL5C, VAL65B, VAL65C
• D-B: ALA19B, ALA19D, ASN20B, ASN20D, ASP11B, ASP11D, ASP9B, ASP9D, GLU13B, GLU13D, GLU8B, GLU8D, GLY14B, GLY14D, HIS18B, HIS18D, LEU62B, LEU62D, LYS23B, LYS23D, SER12B, SER12D, SER61B, SER61D, THR10B, THR10D, TYR17B, TYR17D, TYR6B, TYR6D, TYR7B, TYR7D, VAL15B, VAL15D, VAL16B, VAL16D, VAL5B, VAL5D