Published July 18, 2018
| Version v1
Dataset
Open
Kinematic Flexibility Analysis: Hydrogen Bonding Patterns Impart a Spatial Hierarchy of Protein Motion
Authors/Creators
- 1. University of Erlangen-Nuremberg, Erlangen
- 2. SLAC National Accelerator Laboratory, Stanford University
Description
KGS conformational ensembles of 100 substates from sampling ADK starting from the open conformation (PDB ID 4ake). Hydrogen bonds were included at thresholds of -1, -2, and -4 kcal/mol. Hydrogen bond network constraint relaxation was set to 1e-10 (nullspace floppy modes) and 1e-2 (kinematic flexibility modes)
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