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Table 1 Top 10 Most and Least Impacting Residue Pairs on Global Fluctuation for CDK2

From: Identifying allosteric fluctuation transitions between different protein conformational states as applied to Cyclin Dependent Kinase 2

  TOP 10 PIVET BOTTOM 10 PIVET
  Residue Pairs Impact Δ Residue Pairs Impact Δ
Activation Stage 2 (1 HCK to 1 FIN) A 114 A 142 23.47% 1 A 231 A 238 3.06% 1
  A 156 A 163 22.11% -1 A 294 A 103 3.06% 1
  A 149 A 146 15.65% 1 A 15 A 36 2.38% -1
  A 56 A 67 15.31% -1 A 90 A 296 2.38% 1
  A 151 A 122 14.63% 1 A 163 A 160 2.38% 1
  A 123 A 149 14.63% 1 A 162 A 157 2.04% -1
  A 122 A 152 14.29% 1 A 295 A 137 1.70% 1
  A 124 A 149 14.29% 1 A 157 A 160 1.36% -1
  A 151 A 123 13.95% 1 A 36 A 16 1.36% -1
  A 177 A 158 13.95% 1 A 44 A 41 1.02% -1
Activation Stage 3 (1 FIN to 1 JST) A 278 A 113 20.81% 1 A 241 A 221 2.35% 1
  A 222 A 216 20.47% 1 B 284 B 287 2.35% -1
  A 110 A 142 20.47% 1 B 284 B 281 2.01% -1
  B 310 B 230 19.46% 1 B 372 B 370 2.01% 1
  B 292 A 40 17.11% -1 B 266 B 271 2.01% -1
  B 302 B 241 17.11% 1 A 180 A 158 1.68% -1
  A 158 A 177 16.78% -1 A 245 A 221 1.68% 1
  A 74 A 38 16.78% -1 B 389 B 386 1.68% -1
  B 350 B 390 16.78% 1 B 279 B 284 1.68% -1
  A 180 A 177 16.44% 1 B 362 B 395 1.01% -1
Activation Stage 4 (1 JST to 1 QMZ) B 181 A 121 17.11% -1 A 223 A 228 1.68% -1
  B 193 B 241 16.11% -1 B 279 B 284 1.68% 1
  A 37 A 45 15.44% -1 A 253 A 248 1.01% 1
  A 279 A 283 15.10% 1 B 198 B 202 1.01% -1
  B 292 A 39 14.77% -1 B 279 B 291 1.01% -1
  B 308 B 305 14.77% -1 B 334 B 359 0.67% -1
  B 340 B 394 14.77% -1 B 284 B 287 0.67% 1
  A 113 A 278 14.43% -1 B 347 B 341 0.67% 1
  B 289 A 40 14.43% -1 B 419 B 414 0.34% -1
  A 42 A 38 14.09% -1 B 391 B 362 0.34% -1
  1. The 10 residue pairs with the most and least impact on global fluctuation for each activation stage as determined by PIVET. The impact and direction of change for each residue pair with corresponding chains (A and B) are indicated by a loss (-1) and gain (1) of neighbors. Residues are ranked according to their impact on fluctuations in CDK2 only.