3CAL

crystal structure of the second and third fibronectin f1 modules in complex with a fragment of staphylococcus aureus fnbpa-5

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 82
  • Norm. En. per Res.: -6.5072
• 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	-167.2615	-34.9967	-331.332	-533.5902	82	27	2	10969	7	22	20
A-C	0.0	0.0	-23.5981	-23.5981	46	4	1	1451	0	10	10
A-D	0.0	0.0	-39.2843	-39.2843	26	2	2	1925	0	8	4
B-C	0.0	0.0	-33.0569	-33.0569	25	0	2	1740	0	8	4
B-D	0.0	0.0	-4.4262	-4.4262	10	0	1	223	0	0	3
C-D	-161.5609	-21.8027	-317.588	-500.9516	82	22	2	10825	5	21	21

Interface residues

• A-B: ALA107A, ALA661B, ALA97A, ARG101A, ARG109A, ARG76A, ARG83A, ARG99A, ASN108A, ASN141A, ASN73A, ASP664B, ASP670B, ASP68A, ASP86A, ASP91A, CYS104A, CYS110A, CYS136A, CYS148A, CYS66A, CYS92A, CYS94A, GLU112A, GLU128A, GLU135A, GLU145A, GLU63A, GLU64A, GLU669B, GLY100A, GLY130A, GLY131A, GLY140A, GLY142A, GLY144A, GLY656B, GLY660B, GLY96A, GLY98A, HIS111A, HIS127A, HIS665B, ILE102A, ILE106A, ILE151A, ILE657B, ILE95A, LEU134A, LEU139A, LYS143A, LYS149A, LYS655B, LYS672B, LYS69A, LYS85A, MET133A, MET88A, PHE67A, PRO150A, SER103A, SER663B, THR105A, THR147A, THR659B, THR65A, THR666B, THR667B, THR671B, THR74A, THR93A, TRP123A, TRP146A, TRP90A, TYR132A, TYR70A, TYR75A, TYR81A, VAL137A, VAL658B, VAL662B, VAL668B
• A-C: ALA107A, ALA107C, ALA97A, ALA97C, ARG101A, ARG101C, ARG109A, ARG109C, ARG99A, ARG99C, ASN108A, ASN108C, ASN141A, ASN141C, ASP91A, ASP91C, CYS104A, CYS104C, GLY120A, GLY120C, GLY140A, GLY140C, GLY142A, GLY142C, GLY78A, ILE102A, ILE102C, ILE119A, ILE119C, ILE95A, ILE95C, LEU139A, LEU139C, LYS118A, LYS118C, LYS143A, LYS143C, SER103A, SER103C, THR105A, THR105C, THR80A, THR80C, THR93A, THR93C, TYR81A
• A-D: ALA97A, ARG101A, ASP664D, ASP670D, ASP79A, ASP91A, CYS104A, CYS92A, CYS94A, GLU669D, GLY78A, GLY96A, HIS665D, ILE102A, ILE95A, SER103A, SER663D, THR105A, THR666D, THR667D, THR80A, THR93A, TYR81A, VAL662D, VAL668D, VAL77A
• B-C: ALA97C, ARG101C, ASP664B, ASP670B, ASP79C, ASP91C, CYS104C, CYS92C, CYS94C, GLU669B, GLY78C, GLY96C, HIS665B, ILE102C, ILE95C, SER103C, SER663B, THR105C, THR666B, THR667B, THR80C, THR93C, TYR81C, VAL668B, VAL77C
• B-D: ASP670B, ASP670D, GLU669B, GLU669D, THR666B, THR666D, THR667B, THR667D, VAL668B, VAL668D
• C-D: ALA107C, ALA661D, ALA97C, ARG101C, ARG109C, ARG125C, ARG83C, ARG99C, ASN108C, ASN141C, ASN73C, ASP664D, ASP670D, ASP68C, ASP86C, ASP91C, CYS104C, CYS110C, CYS136C, CYS148C, CYS66C, CYS92C, CYS94C, GLU112C, GLU128C, GLU135C, GLU145C, GLU64C, GLU669D, GLY100C, GLY131C, GLY140C, GLY142C, GLY144C, GLY656D, GLY660D, GLY72C, GLY96C, GLY98C, HIS111C, HIS127C, HIS665D, ILE102C, ILE106C, ILE151C, ILE657D, ILE95C, LEU134C, LEU139C, LYS143C, LYS149C, LYS655D, LYS672D, LYS69C, LYS85C, MET133C, MET88C, PHE67C, PRO126C, PRO150C, SER103C, SER663D, THR105C, THR147C, THR659D, THR65C, THR666D, THR667D, THR671D, THR74C, THR93C, TRP123C, TRP146C, TRP90C, TYR132C, TYR70C, TYR75C, TYR81C, VAL137C, VAL658D, VAL662D, VAL668D