Table 4. List of residues found to be relevant for conformational dynamics of human Hsp70 deduced from NMA of human Hsp70 [49], [92] and from dPCA of E. coli MD trajectories (present work) after sequence alignment of E. coli DnaK on human Hsp70 (Table S1).
Location | NMA | dPCA |
NBD IA | ||
NBD IB | L50- F78-K100-Y107-K108-E110-K112 | K77-F78-G79-D80-D99-K100-P101-K102 |
NBD IIA | R193 | G215-I216 |
NBD IIB | R247-H249-K250 - K251-S254-Q255-R299 | K250-K251-D252-I253 |
linker | V388-Q389-D390-L391 | |
SBD-β | G408-V409-T429-Y431-S432-Q441-S462-I464-A467-P468-R469-G470-V471-P472-Q473-D492-K493-S494-T495-K497-A498-N499-K500 | G408-V409-M410-T411-D433-N434-Q435-P436-G445-E446-R447-A448-P465-P466-A467-A468-R469-K493-S494-T495-G496 |
SBD-α | Y525-K526-Q532-R533-R535-Y545-K559-K561-S563-E564-A565-D566-K567-K568-K569-K573-W580-E588-K589-D590-E591-F592-H594-R596- K597-Q601 | N505-D506-K507-G508-E521-A522-E523-K524 |
Residues common to the two analyses are in bold. Residues of hHsp70 which are not identical in E. coli Hsp70 are in italic font.