2CCL

the s45a, t46a mutant of the type i cohesin-dockerin complex from the cellulosome of clostridium thermocellum

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 81
  • Norm. En. per Res.: -3.9235
• 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	-33.0332	-51.5482	-233.222	-317.8034	81	5	6	9351	3	16	16
A-C	-38.8853	8.9466	-216.212	-246.1507	98	5	5	8732	0	25	28
C-D	-55.7619	-15.4975	-244.224	-315.4834	82	12	6	9435	2	20	15

Interface residues

• A-B: ALA125A, ALA24B, ALA36A, ALA72A, ALA85A, ALA92A, ALA94A, ARG19B, ARG43A, ARG53B, ARG57B, ARG77A, ASN10B, ASN127A, ASN37A, ASN4B, ASP119A, ASP126A, ASP128A, ASP13B, ASP39A, ASP62A, ASP6B, ASP70A, ASP87A, CYS38A, GLN132A, GLU120A, GLU131A, GLU86A, GLY122A, GLY123A, GLY89A, GLY91A, ILE25B, ILE35A, ILE59B, ILE73A, ILE79A, ILE80A, ILE9B, LEU129A, LEU14B, LEU17B, LEU22B, LEU27B, LEU49B, LEU51B, LEU55B, LEU56B, LEU83A, LYS18B, LYS33A, LYS67A, MET16B, PHE124A, PHE40A, PHE69A, PHE82A, PHE84A, SER11B, SER20B, SER52B, SER68A, SER88A, THR12B, THR15B, THR66A, THR71A, THR8B, THR90A, TYR54B, TYR74A, TYR93A, VAL121A, VAL130A, VAL3B, VAL41A, VAL48B, VAL58B, VAL81A
• A-C: ALA112A, ALA112C, ALA146A, ALA146C, ARG28A, ARG28C, ARG43A, ARG43C, ARG77A, ARG77C, ASN142A, ASN142C, ASN145A, ASN145C, ASN47A, ASN47C, ASP119A, ASP119C, ASP138A, ASP138C, ASP45A, ASP45C, GLU120A, GLU120C, GLU22A, GLU9A, GLU9C, GLY114A, GLY114C, GLY11A, GLY11C, GLY139A, GLY139C, GLY140A, GLY140C, GLY144A, GLY144C, ILE10A, ILE10C, ILE116A, ILE116C, ILE137A, ILE137C, ILE23A, ILE79A, ILE79C, LYS12A, LYS12C, LYS78A, LYS78C, PHE118A, PHE118C, PHE136A, PHE136C, PRO113A, PRO113C, PRO148A, PRO148C, PRO24A, PRO24C, PRO46A, PRO46C, SER110A, SER110C, SER111A, SER111C, SER135A, SER135C, THR117A, THR117C, THR147A, THR147C, THR149A, THR149C, THR14A, TYR115A, TYR115C, TYR26A, TYR26C, TYR44A, TYR44C, VAL100A, VAL100C, VAL121A, VAL121C, VAL134A, VAL134C, VAL13A, VAL13C, VAL141A, VAL141C, VAL143A, VAL143C, VAL41A, VAL48A, VAL48C, VAL7A, VAL7C
• C-D: ALA125C, ALA24D, ALA36C, ALA72C, ALA85C, ALA92C, ALA94C, ARG19D, ARG23D, ARG53D, ARG57D, ARG77C, ASN10D, ASN127C, ASN37C, ASN4D, ASP119C, ASP126C, ASP128C, ASP13D, ASP39C, ASP62C, ASP6D, ASP70C, ASP87C, CYS38C, GLN132C, GLU120C, GLU131C, GLU86C, GLY122C, GLY123C, GLY34C, GLY89C, GLY91C, ILE25D, ILE35C, ILE54C, ILE59D, ILE73C, ILE79C, ILE80C, ILE9D, LEU129C, LEU14D, LEU17D, LEU22D, LEU27D, LEU49D, LEU51D, LEU55D, LEU56D, LEU83C, LYS18D, LYS33C, LYS67C, MET16D, PHE124C, PHE40C, PHE69C, PHE82C, PHE84C, SER11D, SER20D, SER52D, SER68C, SER88C, THR12D, THR15D, THR66C, THR71C, THR8D, THR90C, TYR54D, TYR74C, TYR93C, VAL121C, VAL130C, VAL41C, VAL48D, VAL58D, VAL81C