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. Author manuscript; available in PMC: 2014 Feb 5.
Published in final edited form as: J Phys Chem B. 2012 Aug 17;116(34):10145–10164. doi: 10.1021/jp3015047

TABLE II.

Singular values and flexibility index of the active site for the Model-2 simulations.

set-1 set2 set-3
Σ1 718.267 704.753 581.642
Σ2 184.199 181.311 111.710
Σ3 77.139 73.089 58.223
Σ4 62.215 62.117 50.076
Σ5 41.507 40.803 37.991
Volume of hypercube ( Inline graphic) 2.636 × 1010 2.367 × 1010 0.7197 × 1010
Flexibility index ( Inline graphic) 1.00 0.898 0.273