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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.