1XF9

structure of nbd1 from murine cftr- f508s mutant

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 63
  • Norm. En. per Res.: -3.338
• 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	-14.4986	-23.3414	-123.181	-161.021	73	9	3	5951	1	16	16
A-D	-19.5646	-34.1697	-156.561	-210.2953	63	5	3	6323	4	33	33
B-C	-5.558	-9.2993	-59.5966	-74.4538	48	4	0	2535	1	30	29

Interface residues

• A-B: ALA561A, ARG560A, ARG667B, ARG668B, ASN438B, ASN443B, ASN505A, ASN538A, CYS434B, CYS491A, GLN493A, GLN621B, GLU403B, GLU407A, GLU407B, GLU410A, GLU474A, GLU504A, GLU543A, GLU664B, GLY437B, GLY461B, GLY500A, GLY509A, GLY542A, GLY544A, GLY622B, HIS432B, HIS620B, ILE497A, ILE507A, LEU408A, LEU409A, LEU433B, LEU435B, LEU472A, LEU541A, LEU666B, LYS411A, LYS442B, LYS503A, LYS564A, MET469A, MET498A, PHE400B, PHE430B, PHE490A, PHE494A, PRO439B, PRO499A, SER429B, SER431B, SER489A, SER492A, SER495A, SER508A, SER511A, SER623B, SER670B, THR398B, THR460B, THR465A, THR501A, THR539A, THR663B, TRP401B, TRP496A, TYR512A, VAL436B, VAL440B, VAL488A, VAL510A, VAL540A
• A-D: ALA523A, ALA523D, ALA559A, ALA561A, ALA561D, ALA566A, ALA566D, ALA596A, ALA596D, ARG516A, ARG516D, ARG600A, ARG600D, ASN538D, ASN597A, ASN597D, ASP513A, ASP513D, ASP537D, ASP565A, ASP565D, CYS590A, CYS590D, CYS592A, GLN527D, GLU514A, GLU514D, LEU571A, LEU594A, LEU594D, LYS503A, LYS503D, LYS518A, LYS518D, LYS522A, LYS522D, LYS564A, LYS564D, LYS593A, LYS593D, LYS598A, LYS598D, MET595A, MET595D, SER519A, SER519D, SER589A, TYR512A, TYR512D, TYR515A, TYR515D, TYR517A, TYR517D, TYR563A, TYR563D, TYR569A, TYR569D, VAL520A, VAL520D, VAL562A, VAL562D, VAL591A, VAL591D
• B-C: ALA596B, ALA596C, ARG487B, ARG600B, ARG600C, ASN447C, ASN597B, ASN597C, ASP513B, ASP567B, CYS592B, CYS592C, GLU449B, GLU449C, GLU452B, GLU452C, GLU514B, GLU588C, GLY391C, GLY451B, GLY451C, ILE393C, ILE448C, LEU594B, LEU594C, LYS450B, LYS450C, LYS518B, LYS593B, LYS593C, LYS598B, LYS598C, LYS612C, LYS615C, MET595B, MET595C, SER388C, SER519B, SER589B, SER589C, THR389B, THR389C, THR390B, THR390C, THR599B, THR599C, TYR515B, TYR515C