Id |
Subject |
Object |
Predicate |
Lexical cue |
T202 |
0-106 |
Sentence |
denotes |
Binding free energy decomposition to its individual components for all mutants is represented in Table S2. |
T203 |
107-293 |
Sentence |
denotes |
In all complexes, a large positive polar solvation free energy disfavors the binding and complex formation, which is compensated by a large negative electrostatic free energy of binding. |
T204 |
294-333 |
Sentence |
denotes |
All variants had similar SASA energies. |
T205 |
334-447 |
Sentence |
denotes |
The vdw free energy of binding ranged from −84.68 ± 0.68 kcal/mol for Q493A to −103.85 ± 0.66 kcal/mol for Y489A. |
T206 |
448-685 |
Sentence |
denotes |
Mutant K417A had the lowest electrostatic contribution to binding −415.67 ± 5.07 kcal/mol and mutants N439K and E484A had the highest electrostatic binding contribution of −989.80 ± 5.6 kcal/mol and −941.20 ± 3.95 kcal/mol, respectively. |