Table S2. Coarse-grained topology for PEG500-npRGD

i j / Bond length r0,ij [nm] / Force constant
kij [kJ nm-2 mol-1] / i j k / Bond angle 0,ij [º] / Force constant
kijk [kJ nm-2 mol-1]
N1 N2 / 0.40 / 7500* / N1 N2 N3 / 134 / 100*
N2 N3 / 0.38 / 7500* / N2 N3 N4 / 85 / 100*
N3 N4 / 0.56 / 7500* / N6 N5 N7 / 90 / 100*
N5 N6 / 0.35 / 7500* / N7 N8 N9 / 170 / 100*
N5 N7 / 0.36 / 7500* / N8 N9 N10 / 60 / 100*
N7 N8 / 0.34 / 7500* / N9 N10 N8 / 60 / 100*
N8 N9 / 0.27* / 7500* / N9 N8 N10 / 60 / 100*
N9 N10 / 0.27* / 7500* / N9 N11 N12 / 136 / 100*
N8 N10 / 0.27* / 7500* / N12 N13 N14 / 60 / 100*
N9 N11 / 0.35 / 7500* / N13 N14 N12 / 59 / 100*
N11 N12 / 0.35 / 7500* / N3 N4 N15 / 143 / 100*
N12 N13 / 0.34 / 7500* / N4 N15 N16 / 131 / 100*
N13 N14 / 0.35 / 7500* / N15 N16 N17 / 135 / 100*
N12 N14 / 0.34 / 7500* / N16 N17 N18 / 130 / 100*
N4 N15 / 0.42 / 7500* / N17 N18 N19 / 123 / 100*
N15 N16 / 0.36 / 7500* / N18 N19 N20 / 128 / 100*
N16 N17 / 0.34 / 7500* / N19 N20 N21 / 122 / 100*
N17 N18 / 0.45 / 7500* / N20 N21 N5 / 105 / 100*
N18 N19 / 0.35 / 7500*
N19 N20 / 0.33 / 7500*
N20 N21 / 0.44 / 7500*
N21 N5 / 0.41 / 7500*

*Taken from the predetermined values for backbone or sidechain bonded parameters from the MARTINI force field. CG topologies for the GG-PEG1000-npRGD and GG-PEG2000-npRGD residues are shown in Table S1.