3ISR

the crystal structure of a putative cysteine protease from cytophaga hutchinsonii to 1.9a

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 63
  • Norm. En. per Res.: -4.0315
• 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	-70.2361	-45.056	-395.73	-511.0221	148	15	4	15976	10	33	39
A-C	0.0	0.0	-0.2129	-0.2129	6	0	0	33	0	0	3
A-D	-3.05	-80.0349	-123.041	-206.1259	60	3	0	6158	5	24	19
B-C	-16.6115	-84.493	-152.882	-253.9865	63	2	0	7156	4	26	19
B-D	0.0	0.0	-0.3546	-0.3546	6	0	0	57	0	0	3
C-D	-68.7357	-42.7345	-389.282	-500.7522	147	20	4	15957	8	33	38

Interface residues

• A-B: ALA238A, ALA238B, ALA239A, ALA239B, ALA241A, ALA241B, ALA242A, ALA242B, ALA244A, ALA244B, ALA63A, ALA63B, ARG110A, ARG110B, ARG171A, ARG171B, ARG182A, ARG182B, ARG236A, ARG236B, ARG60A, ARG60B, ASN154A, ASN154B, ASN52A, ASN52B, ASP101A, ASP101B, ASP115A, ASP115B, ASP161A, ASP161B, ASP237A, ASP237B, ASP240A, ASP240B, ASP97A, ASP97B, ASP99A, ASP99B, CYS112A, CYS112B, GLN113A, GLN113B, GLN118A, GLN118B, GLN156A, GLN156B, GLU45A, GLU45B, GLU47A, GLU47B, GLY100A, GLY100B, GLY235A, GLY235B, GLY248A, GLY248B, GLY54A, GLY54B, ILE102A, ILE102B, ILE103A, ILE103B, ILE186A, ILE186B, ILE20A, ILE20B, ILE246A, ILE246B, ILE44A, ILE44B, ILE46A, ILE46B, LEU106A, LEU106B, LEU117A, LEU117B, LEU184A, LEU184B, LEU61A, LEU61B, LEU98A, LEU98B, LYS116A, LYS116B, LYS119A, LYS119B, LYS62A, LYS62B, PHE105A, PHE105B, PHE107A, PHE107B, PHE160A, PHE160B, PHE19A, PHE19B, PHE247A, PHE247B, PHE49A, PHE49B, PHE58A, PHE58B, PRO104A, PRO104B, PRO108A, PRO108B, PRO187A, PRO187B, PRO94A, PRO94B, SER109A, SER109B, SER114A, SER114B, SER155A, SER155B, SER158A, SER158B, SER185A, SER185B, SER245A, SER245B, SER50A, SER50B, SER53A, SER53B, THR157A, THR157B, THR17A, THR17B, THR18A, THR18B, THR55A, THR55B, THR92B, TYR111A, TYR111B, TYR51A, TYR51B, VAL59A, VAL93A, VAL93B, VAL95A, VAL95B, VAL96A, VAL96B
• A-C: ASN154A, ASN154C, GLN156A, GLN156C, GLU165A, GLU165C
• A-D: ALA121A, ALA121D, ALA159A, ALA159D, ALA167A, ALA167D, ARG166A, ARG166D, ASN144A, ASN144D, ASN145A, ASN145D, ASP161A, ASP161D, GLN118A, GLN118D, GLU124A, GLU124D, GLU147A, GLU147D, GLU165A, GLU165D, GLY168A, GLY168D, ILE149A, ILE149D, ILE163A, ILE163D, LEU117A, LEU117D, LEU120A, LEU120D, LEU176A, LEU176D, LEU180A, LEU180D, LYS116A, LYS116D, LYS119A, LYS119D, LYS123A, LYS123D, PHE125A, PHE125D, PHE160A, PHE160D, SER152A, SER152D, THR162A, THR162D, THR164A, THR164D, TRP141A, TRP141D, TYR122A, TYR122D, TYR143A, TYR148A, VAL146A, VAL146D
• B-C: ALA121B, ALA121C, ALA159B, ALA159C, ALA167B, ALA167C, ARG166B, ARG166C, ASN144B, ASN144C, ASN145B, ASN145C, ASP161B, ASP161C, GLN118B, GLN118C, GLU124B, GLU124C, GLU147B, GLU147C, GLU165B, GLU165C, GLY168B, GLY168C, ILE142B, ILE142C, ILE149B, ILE149C, ILE163B, ILE163C, LEU117B, LEU117C, LEU120B, LEU120C, LEU180B, LEU180C, LYS116B, LYS116C, LYS119B, LYS119C, LYS123B, LYS123C, PHE125B, PHE125C, PHE160B, PHE160C, PHE173B, SER152B, SER152C, THR162B, THR162C, THR164B, THR164C, TRP141B, TRP141C, TYR122B, TYR122C, TYR143B, TYR143C, TYR148B, TYR148C, VAL146B, VAL146C
• B-D: ASN154B, ASN154D, GLN156B, GLN156D, GLU165B, GLU165D
• C-D: ALA238C, ALA238D, ALA239C, ALA239D, ALA241C, ALA241D, ALA242C, ALA242D, ALA244C, ALA244D, ALA63C, ALA63D, ARG110C, ARG110D, ARG171C, ARG171D, ARG182C, ARG182D, ARG236C, ARG236D, ARG60C, ARG60D, ASN154C, ASN154D, ASN52C, ASN52D, ASP101C, ASP101D, ASP115C, ASP115D, ASP161C, ASP161D, ASP237C, ASP237D, ASP240C, ASP240D, ASP97C, ASP97D, ASP99C, ASP99D, CYS112C, CYS112D, GLN113C, GLN113D, GLN118C, GLN118D, GLN156C, GLN156D, GLU45C, GLU45D, GLU47C, GLU47D, GLY100C, GLY100D, GLY235C, GLY235D, GLY248C, GLY248D, GLY54C, GLY54D, ILE102C, ILE102D, ILE103C, ILE103D, ILE186C, ILE186D, ILE20C, ILE20D, ILE246C, ILE246D, ILE44C, ILE44D, ILE46C, ILE46D, LEU106C, LEU106D, LEU117C, LEU117D, LEU184C, LEU184D, LEU61C, LEU61D, LEU98C, LEU98D, LYS116C, LYS116D, LYS119C, LYS119D, LYS62C, LYS62D, PHE105C, PHE105D, PHE107C, PHE107D, PHE160C, PHE160D, PHE19C, PHE19D, PHE247C, PHE247D, PHE49C, PHE49D, PHE58C, PHE58D, PRO104C, PRO104D, PRO108C, PRO108D, PRO187C, PRO187D, PRO94C, PRO94D, SER109C, SER109D, SER114C, SER114D, SER155C, SER155D, SER158C, SER158D, SER185C, SER185D, SER245C, SER245D, SER50C, SER50D, SER53C, SER53D, THR157C, THR157D, THR17C, THR17D, THR18C, THR18D, THR55C, THR55D, TYR111C, TYR111D, TYR51C, TYR51D, VAL59D, VAL93C, VAL93D, VAL95C, VAL95D, VAL96C, VAL96D