3ZRZ

crystal structure of the second and third fibronectin f1 modules in complex with a fragment of streptococcus pyogenes sfbi-5

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 83
  • Norm. En. per Res.: -6.6903
• 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	-18.7747	3.7714	-80.4494	-95.4527	43	7	1	3485	0	14	15
A-C	-132.0733	-34.4709	-347.83	-514.3742	84	18	1	11151	2	17	14
A-D	0.0	0.0	-0.3198	-0.3198	7	0	0	58	0	1	1
B-D	-150.6531	-50.245	-354.395	-555.2931	83	20	1	10977	3	16	14

Interface residues

• A-B: ALA97B, ARG101B, ARG109A, ARG76B, ARG83A, ARG99B, ASN108B, ASN73A, ASP68A, ASP79B, ASP86A, ASP91B, CYS66B, CYS92B, CYS94B, GLN115A, GLU64B, GLU82A, GLY114A, GLY72A, GLY78B, GLY96B, GLY98B, HIS111A, ILE89A, ILE95B, LYS69A, LYS85A, MET88A, PHE67A, PRO84A, SER103B, SER116A, SER87A, THR71A, THR74A, THR80B, THR93B, TRP90A, TYR70A, TYR75A, TYR81A, VAL77B
• A-C: ALA107A, ALA97A, ARG101A, ARG109A, ARG125A, ARG576C, ARG83A, ARG99A, ASN108A, ASN141A, ASP574C, ASP68A, ASP86A, ASP91A, CYS104A, CYS110A, CYS136A, CYS138A, CYS148A, CYS66A, CYS92A, CYS94A, GLN115A, GLU112A, GLU128A, GLU135A, GLU145A, GLU567C, GLU573C, GLU63A, GLU64A, GLY100A, GLY140A, GLY142A, GLY144A, GLY561C, GLY564C, GLY96A, GLY98A, HIS111A, HIS127A, ILE102A, ILE106A, ILE151A, ILE571C, ILE95A, LEU134A, LEU139A, LYS143A, LYS149A, LYS69A, LYS85A, MET133A, MET562C, MET88A, PHE565C, PHE67A, PRO126A, PRO150A, PRO577C, SER103A, SER116A, SER563C, SER566C, THR105A, THR129A, THR147A, THR560C, THR568C, THR570C, THR575C, THR65A, THR93A, TRP123A, TRP146A, TRP90A, TYR117A, TYR132A, TYR70A, TYR75A, TYR81A, VAL137A, VAL569C, VAL572C
• A-D: ASP574D, GLY72A, LYS69A, THR570D, THR71A, TYR70A, VAL572D
• B-D: ALA107B, ALA97B, ARG101B, ARG109B, ARG125B, ARG576D, ARG83B, ARG99B, ASN108B, ASN141B, ASP574D, ASP68B, ASP91B, CYS104B, CYS110B, CYS136B, CYS138B, CYS148B, CYS66B, CYS92B, CYS94B, GLN115B, GLU112B, GLU128B, GLU135B, GLU145B, GLU567D, GLU573D, GLU64B, GLY100B, GLY130B, GLY140B, GLY142B, GLY144B, GLY561D, GLY564D, GLY96B, GLY98B, HIS111B, HIS127B, ILE102B, ILE106B, ILE151B, ILE571D, ILE95B, LEU134B, LEU139B, LYS143B, LYS149B, LYS69B, LYS85B, MET133B, MET562D, MET88B, PHE565D, PHE67B, PRO126B, PRO150B, PRO577D, SER103B, SER116B, SER563D, SER566D, THR105B, THR129B, THR147B, THR560D, THR568D, THR570D, THR575D, THR65B, THR93B, TRP123B, TRP146B, TRP90B, TYR117B, TYR132B, TYR70B, TYR75B, TYR81B, VAL137B, VAL569D, VAL572D