3PI6

crystal structure of the cftr inhibitory factor cif with the h177y mutation

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 115
  • Norm. En. per Res.: -4.635
• 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	-44.2494	-10.316	-467.679	-522.2444	114	17	25	16900	3	30	23
A-C	-2.7583	-7.9104	-59.553	-70.2217	62	0	2	3109	1	24	23
A-D	0.0	-4.2012	-96.5499	-100.7511	77	0	0	4626	3	36	38
B-C	0.0	12.4435	-94.8709	-82.4274	78	0	0	4547	3	36	39
C-D	-42.8163	-15.818	-474.389	-533.0233	115	17	25	16968	3	30	25

Interface residues

• A-B: ALA159A, ALA159B, ALA166A, ALA166B, ALA169A, ALA169B, ALA182A, ALA182B, ALA183A, ALA183B, ALA188A, ALA188B, ALA193A, ALA193B, ALA241A, ALA241B, ARG163A, ARG163B, ARG186A, ARG186B, ARG240A, ARG240B, ARG247A, ARG247B, ASN243A, ASN243B, ASP158A, ASP158B, ASP184A, ASP184B, ASP185A, ASP185B, GLN170A, GLN170B, GLU172A, GLU172B, GLU189A, GLU189B, GLU196A, GLU196B, GLU201A, GLU201B, GLU244A, GLU244B, GLY171A, GLY171B, GLY194A, GLY194B, HIS202A, HIS202B, ILE161A, ILE161B, ILE192A, ILE192B, LEU174A, LEU174B, LEU187A, LEU187B, LEU191A, LEU191B, LEU200A, LEU200B, LEU242A, LEU242B, LYS195A, LYS195B, LYS205A, LYS205B, PHE164A, PHE164B, PHE167A, PHE167B, PHE178A, PHE178B, PHE180A, PHE180B, PHE181A, PHE181B, PHE198A, PHE198B, PHE199A, PHE199B, PHE203A, PHE203B, PHE236A, PRO157A, PRO157B, PRO165A, PRO165B, SER173A, SER173B, SER179A, SER179B, SER206A, SER206B, THR168A, THR168B, THR190A, THR190B, TRP133A, TRP133B, TRP176A, TRP176B, TYR162A, TYR162B, TYR177A, TYR177B, TYR226A, TYR239A, TYR239B, VAL175A, VAL175B, VAL246A, VAL246B
• A-C: ALA169A, ALA169C, ALA208A, ALA208C, ALA304A, ALA304C, ALA305A, ALA305C, ASN210A, ASN210C, CYS295A, CYS295C, CYS303A, CYS303C, GLN170A, GLN170C, GLU172A, GLU172C, GLU212A, GLU212C, GLU216A, GLU216C, GLU301A, GLU301C, GLU302A, GLU302C, GLY171A, GLY171C, GLY267A, GLY267C, GLY268A, GLY268C, GLY270A, GLY270C, GLY294A, GLY294C, HIS202A, HIS202C, HIS269A, HIS269C, LYS205A, LYS205C, PHE167A, PHE167C, PHE198A, PHE198C, PRO293A, PRO293C, PRO306A, PRO306C, SER173A, SER173C, SER206A, SER206C, SER209A, SER209C, THR168A, THR168C, THR211A, THR211C, VAL213A, VAL213C
• A-D: ALA182D, ALA183D, ALA234D, ALA241D, ALA250D, ALA304A, ALA305A, ARG186D, ARG197A, ARG217A, ARG240D, ARG247D, ARG309A, ARG80A, ASN210A, ASN233D, ASN243D, ASN308A, ASN32A, ASP184D, ASP185D, ASP220A, ASP42D, CYS303A, GLN105D, GLN248D, GLN72A, GLU104D, GLU189D, GLU201A, GLU212A, GLU216A, GLU237D, GLU244D, GLU251D, GLU301A, GLU302A, GLU76A, GLY100D, HIS230D, HIS71A, ILE312A, LEU187D, LEU218A, LEU219A, LEU221A, LEU252D, LYS112D, LYS141D, LYS205A, LYS254D, LYS79A, LYS98D, PHE214A, PHE28A, PRO29A, PRO300A, PRO306A, PRO31A, PRO75A, PRO96D, PRO97D, SER102D, SER179D, SER215A, SER245D, THR190D, THR211A, THR99D, TYR101D, TYR109D, TYR162D, TYR68A, VAL108D, VAL213A, VAL246D, VAL30A
• B-C: ALA182B, ALA183B, ALA234B, ALA241B, ALA250B, ALA304C, ALA305C, ARG186B, ARG197C, ARG217C, ARG240B, ARG247B, ARG309C, ARG80C, ASN210C, ASN233B, ASN243B, ASN308C, ASN32C, ASP184B, ASP185B, ASP220C, ASP42B, CYS303C, GLN105B, GLN248B, GLN72C, GLU104B, GLU189B, GLU201C, GLU212C, GLU216C, GLU237B, GLU244B, GLU251B, GLU301C, GLU302C, GLU76C, GLY100B, GLY90B, HIS230B, HIS71C, ILE312C, LEU187B, LEU218C, LEU219C, LEU221C, LEU252B, LYS112B, LYS141B, LYS205C, LYS254B, LYS79C, LYS98B, PHE214C, PHE28C, PRO29C, PRO300C, PRO306C, PRO31C, PRO75C, PRO96B, PRO97B, SER102B, SER179B, SER215C, SER245B, THR190B, THR211C, THR99B, TYR101B, TYR109B, TYR162B, TYR68C, VAL108B, VAL213C, VAL246B, VAL30C
• C-D: ALA159C, ALA159D, ALA166C, ALA166D, ALA169C, ALA169D, ALA182C, ALA182D, ALA183C, ALA183D, ALA188C, ALA188D, ALA193C, ALA193D, ALA241C, ALA241D, ARG163C, ARG163D, ARG186C, ARG186D, ARG240C, ARG240D, ARG247C, ARG247D, ASN243C, ASN243D, ASP158C, ASP158D, ASP184C, ASP184D, ASP185C, ASP185D, GLN170C, GLN170D, GLU172C, GLU172D, GLU189C, GLU189D, GLU196C, GLU196D, GLU201C, GLU201D, GLU244C, GLU244D, GLY171C, GLY171D, GLY194C, GLY194D, HIS202C, HIS202D, ILE161C, ILE161D, ILE192C, ILE192D, LEU174C, LEU174D, LEU187C, LEU187D, LEU191C, LEU191D, LEU200C, LEU200D, LEU242C, LEU242D, LYS195C, LYS195D, LYS205C, LYS205D, PHE164C, PHE164D, PHE167C, PHE167D, PHE178C, PHE178D, PHE180C, PHE180D, PHE181C, PHE181D, PHE198C, PHE198D, PHE199C, PHE199D, PHE203C, PHE203D, PHE236C, PRO157C, PRO157D, PRO165C, PRO165D, SER173C, SER173D, SER179C, SER179D, SER206C, SER206D, THR168C, THR168D, THR190C, THR190D, TRP133C, TRP133D, TRP176C, TRP176D, TYR162C, TYR162D, TYR177C, TYR177D, TYR226C, TYR226D, TYR239C, TYR239D, VAL175C, VAL175D, VAL246C, VAL246D