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. 2013 Feb 5;104(3):575–584. doi: 10.1016/j.bpj.2012.11.3837

Table 1.

Insertion mechanism of the ALPS motif of ArfGAP1 in a DOPC/DOG (85:15) bilayer

MD run MD length Insertion sequence
Protein-bilayer LJ (kJ/mol)b
Insertion 1
Insertion 2
Time (ns) Amino acid Defect size before insertion (nm2)a Time (ns) Amino acid Defect size before insertion (nm2)a
MD a 1 μs 59 F26 0.29 - - - −295
MD b 1 μs 52 F26 0.75 437 F4 0.52 −591
MD c 400 ns 47 F26 0.23 218 F4 0.21 −552
MD d 400 ns 86 F26 0.21 - - - −318
MD e 400 ns 103 L12 0.24 - - - −442
a

The defect size before insertion is the average value over the last nanosecond preceding insertion.

b

The average protein-bilayer LJ energy is computed in the time window between 300 and 400 ns.