1NU7

staphylocoagulase-thrombin complex

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 180
  • Norm. En. per Res.: -3.3655
• Hub Node: A(1)

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	-119.4555	-86.7252	286.278	80.0974	95	23	2	13231	7	41	31
B-D	-73.9121	-114.7467	-417.138	-605.7968	180	23	8	17506	13	102	94
D-H	0.0	-28.3734	-138.758	-167.1314	76	3	5	5732	3	14	18
E-F	-107.557	-88.0035	255.287	59.7266	83	21	2	13128	10	40	31
F-H	-65.7922	-123.8624	-416.318	-605.9725	184	28	8	17743	15	98	97

Interface residues

• A-B: ALA132B, ALA1A, ALA22B, ARG137B, ARG14A, ARG206B, ARG4A, ARG50B, ASN159B, ASN204B, ASN205B, ASP116B, ASP14A, ASP1A, ASP21B, ASP49B, CB9.530794.06778, CYS122B, CYS1A, GLN131B, GLN209B, GLN239B, GLU13A, GLU14A, GLU1A, GLU1A9, GLU23B, GLU8A, GLY133B, GLY136B, GLY19B, GLY1A, GLY25B, GLY2A, HIS119B, ILE118B, ILE162B, ILE242B, ILE24B, ILE47B, ILE79B, LEU123B, LEU129B, LEU12A, LEU130B, LEU14A, LEU160B, LEU3A, LEU46B, LEU6A, LYS10A, LYS135B, LYS14A, LYS186B, LYS202B, LYS235B, LYS9A, MET201B, MET210B, MET26B, PHE114B, PHE199B, PHE204B, PHE7A, PRO111B, PRO120B, PRO161B, PRO204B, PRO28B, PRO5A, SER115B, SER11A, SER129B, SER14A, SER203B, SER20B, SER27B, SER48B, THR128B, THR139B, THR14A, TRP207B, TRP29B, TRP51B, TYR117B, TYR134B, TYR14A, TYR184B, TYR208B, VAL112B, VAL121B, VAL138B, VAL157B, VAL158B, VAL200B
• B-D: ALA113B, ALA149B, ALA190D, ALA41D, ARG173B, ARG187B, ARG204D, ARG209D, ARG221B, ARG30D, ARG35B, ARG50B, ARG67B, ARG73B, ARG75B, ARG76D, ARG77B, ASN143B, ASN149B, ASN207D, ASN40D, ASN62B, ASN78B, ASP106D, ASP186B, ASP193D, ASP198D, ASP200D, ASP217D, ASP21B, ASP221B, ASP222B, ASP224D, ASP60D, ASP70D, CYS220B, GLN151B, GLN156B, GLN180D, GLN37D, GLN38B, GLN71D, GLU146B, GLU184D, GLU187D, GLU18B, GLU199D, GLU213D, GLU217B, GLU219D, GLU223D, GLU228D, GLU35D, GLU39B, GLU46D, GLU52D, GLU69D, GLU75D, GLU77B, GLU80B, GLU86B, GLY149B, GLY150B, GLY197D, GLY219B, GLY43D, GLY51D, GLY68D, HIS181D, HIS203D, HIS49D, HIS71B, ILE110D, ILE205D, ILE210D, ILE215D, ILE221D, ILE227D, ILE24B, ILE39D, ILE66D, ILE79B, ILE82B, LEU108B, LEU113D, LEU121D, LEU125D, LEU144B, LEU146D, LEU186D, LEU188D, LEU194D, LEU196D, LEU218D, LEU27D, LEU31D, LEU34D, LEU42D, LEU45D, LEU64B, LEU65B, LEU67D, LEU73D, LEU74D, LEU85B, LYS109B, LYS110B, LYS145B, LYS149B, LYS182D, LYS189D, LYS191D, LYS201D, LYS212D, LYS216D, LYS224B, LYS278D, LYS279D, LYS28D, LYS36B, LYS53D, LYS56D, LYS59D, LYS70B, LYS77D, LYS78D, LYS81B, MET0D, MET102D, MET214D, MET32B, MET63D, MET84B, PHE105D, PHE225D, PHE34B, PHE38D, PRO111B, PRO152B, PRO186B, PRO202D, PRO37B, SER153B, SER206D, SER220D, SER33D, SER36B, SER36D, SER72B, SER7D, SER83B, THR104D, THR109D, THR147B, THR149B, THR179D, THR183D, THR229D, THR32D, THR3D, THR47D, THR64D, THR74B, TRP148B, TYR108D, TYR280D, TYR48D, TYR50D, TYR55D, TYR72D, TYR76B, TYR81D, VAL112B, VAL149B, VAL154B, VAL17B, VAL192D, VAL195D, VAL277D, VAL66B
• D-H: ARG30D, ARG30H, ASN119D, ASN119H, ASN95D, ASN95H, ASP112D, ASP112H, ASP24D, ASP24H, GLN80H, GLU111D, GLU111H, GLU83D, GLU83H, GLU93D, GLU93H, GLU94D, GLU94H, GLY19D, GLY19H, GLY29D, GLY29H, ILE22D, ILE22H, LEU21D, LEU21H, LEU27D, LEU27H, LEU87D, LEU87H, LYS103D, LYS103H, LYS28D, LYS28H, LYS85D, LYS85H, LYS86D, LYS86H, LYS89D, LYS89H, LYS90D, LYS90H, LYS92D, LYS92H, MET102D, MET102H, MET115D, MET115H, SER23D, SER23H, SER33D, SER33H, SER98H, THR20D, THR20H, THR32D, THR32H, TRP25D, TRP25H, TYR108D, TYR108H, TYR118D, TYR118H, TYR18D, TYR18H, TYR26D, TYR26H, TYR84D, TYR84H, TYR88D, TYR88H, TYR91D, TYR91H, VAL100D, VAL100H
• E-F: ALA132F, ALA1E, ALA22F, ARG137F, ARG14E, ARG206F, ARG4E, ASN159F, ASN204F, ASN205F, ASP116F, ASP14E, ASP1E, ASP21F, ASP49F, CYS122F, CYS1E, GLN131F, GLN209F, GLU13E, GLU14E, GLU1E, GLU23F, GLU8E, GLY133F, GLY136F, GLY19F, GLY25F, GLY2E, HIS119F, ILE118F, ILE162F, ILE24F, ILE47F, ILE79F, LEU123F, LEU129F, LEU12E, LEU130F, LEU14E, LEU160F, LEU3E, LEU46F, LEU6E, LYS10E, LYS135F, LYS14E, LYS186F, LYS202F, LYS9E, MET201F, MET210F, MET26F, PHE114F, PHE199F, PHE204F, PHE7E, PRO120F, PRO161F, PRO204F, PRO28F, PRO5E, SER115F, SER11E, SER129F, SER14E, SER203F, SER20F, SER27F, SER48F, THR14E, TRP207F, TRP29F, TYR117F, TYR134F, TYR14E, TYR184F, TYR208F, VAL121F, VAL138F, VAL157F, VAL158F, VAL200F
• F-H: ALA113F, ALA149F, ALA185H, ALA190H, ALA41H, ARG173F, ARG187F, ARG204H, ARG209H, ARG221F, ARG30H, ARG35F, ARG50F, ARG67F, ARG73F, ARG75F, ARG76H, ARG77F, ASN143F, ASN149F, ASN207H, ASN40H, ASN62F, ASN78F, ASP106H, ASP193H, ASP198H, ASP200H, ASP217H, ASP21F, ASP221F, ASP222F, ASP224H, ASP60H, ASP70H, CYS220F, GLN107H, GLN151F, GLN156F, GLN180H, GLN37H, GLN38F, GLN71H, GLU146F, GLU184H, GLU187H, GLU18F, GLU199H, GLU213H, GLU217F, GLU219H, GLU223H, GLU228H, GLU35H, GLU39F, GLU46H, GLU52H, GLU69H, GLU75H, GLU77F, GLU80F, GLU86F, GLU9H, GLY149F, GLY150F, GLY197H, GLY219F, GLY223F, GLY43H, GLY51H, GLY68H, HIS181H, HIS203H, HIS49H, HIS71F, ILE110H, ILE1H, ILE205H, ILE210H, ILE215H, ILE221H, ILE227H, ILE24F, ILE39H, ILE66H, ILE79F, ILE82F, LEU108F, LEU113H, LEU121H, LEU125H, LEU144F, LEU146H, LEU186H, LEU188H, LEU194H, LEU196H, LEU218H, LEU27H, LEU31H, LEU34H, LEU42H, LEU45H, LEU64F, LEU65F, LEU67H, LEU73H, LEU74H, LEU85F, LYS109F, LYS110F, LYS145F, LYS149F, LYS182H, LYS189H, LYS191H, LYS201H, LYS212H, LYS216H, LYS224F, LYS278H, LYS279H, LYS28H, LYS36F, LYS53H, LYS56H, LYS59H, LYS70F, LYS77H, LYS78H, LYS81F, MET102H, MET214H, MET32F, MET63H, MET84F, PHE105H, PHE225H, PHE34F, PHE38H, PRO111F, PRO152F, PRO186F, PRO202H, PRO37F, SER153F, SER206H, SER220H, SER33H, SER36F, SER36H, SER72F, SER7H, SER83F, THR104H, THR109H, THR147F, THR149F, THR183H, THR229H, THR32H, THR3H, THR47H, THR64H, THR74F, TRP148F, TYR108H, TYR172H, TYR280H, TYR48H, TYR50H, TYR55H, TYR72H, TYR76F, TYR81H, VAL112F, VAL149F, VAL154F, VAL176H, VAL17F, VAL192H, VAL195H, VAL277H, VAL66F