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. 2018 Sep 25;10(8):1281–1290. doi: 10.1080/19420862.2018.1518887

Table 1.

List of descriptors investigated in this study.

No. Descriptor Name Explanation Source In Final Model?
1 NoverlResa Number of overlaps between atoms of Met residue with spatial neighbors Structure Yes
2 TotSasaResa Total solvent accessible surface area of Met residue Structure Yes
3 anmFluca Mean square fluctuation of Met Cα atom based on Anisotropic Network Model Dynamics Yes
4 hnmFluca Mean square fluctuation of Met Cα atom based on Hinsen’s Network Model Dynamics Yes
5 PhobSasaResa Hydrophobic partition of the solvent accessible surface area of Met residue Structure No
6 PhilSasaResa Hydrophilic partition of the solvent accessible surface area of Met residue Structure No
7 cdrLength Length of CDR in which Met is located Sequence No
8 Centeredness Location of Met with respect to center of CDR Sequence No
9 cdrLocation CDR in which Met is located (CDR-H1/H2/H3/L1/L2/L3) Sequence No
10 IgGType IgG type of the antibody Sequence No
11 lcFramework Germline family of the light chain Sequence No
12 hcFramework Germline family of the heavy chain Sequence No
13 QSasaResa Ratio of exposed-to-total solvent accessible surface area of Met residue Structure No
14 dipoleMoment Magnitude of the dipole Moment of the mAb Structure No
15 energyInt Energy of interaction between VH and VL Structure No
16 protpI3D 3D structure-based pI of the protein Structure No
17 chargeAtpH5 Net charge of the mAb at pH 5.0 Structure No
18 chargeAtpH7 Net charge of the mAb at pH 7.0 Structure No

aThese descriptors were also calculated for the (N-1) th and (N + 1)th residues; but not identified to be useful; where N is the index of the Met residue.