Table 1. The local maximums and minimums as well as the globals in RMSF-SD curves of the MD simulation repeats for the hCDK2. In the first column, superscripted numbers indicate the group of each selected residue. Group 1 is included of residues with the high RMSF-SD in or near the RMSF peaks, group 2 is for residues with high RMSF-SDs but in or near the dips of the RMSF plot, group 3 indicates residues with a low RMSF-SDs and in or near the peaks of RMSF plot, and group 4 includes residues with low RMSF-SDs in or near the dips of RMSF plot. In the last column, the negatively charged residues are shown as “Bold” and for positively charged residues as “Underline”. 2nd column displays percent of the RMSF for each selected residue in comparison with the distance between between the Max and the Min of the RMSFs for all points in the three RMSF curves. 3nd column indicates the Percent of RMSF Fluctuation (PRF) for each selected residue in comparison with all distance between the Max and the Min of RMSF curves at 1-10000 ps time scale. The formula for calculating PRF has been mentioned in the methods section .
| hCDK2 selected Residues | Max of 3 RMSFs (%) | PRF (%) | Selected points sequence |
| Asn-031 | 63.42% | 17.31% | MENFQ |
| Glu-131 | 45.83% | 15.25% | GEGTY |
| Leu-251 | 100% | 34.18% | NKLTG |
| Asp-381 | 73.77% | 34.61% | RLDTE |
| Gly-432 | 58.09% | 21.59% | TEGVP |
| Ser-461 | 59.50% | 25.13% | VPSTA |
| Leu-542 | 45.03% | 20.02% | ISLLK |
| Glu-731 | 65.40% | 18.53% | HTENK |
| His-842 | 43.55% | 23.78% | FLHQD |
| Arg-1262 | 31.59% | 16.96% | LHRDL |
| Arg-1501 | 42.29% | 22.25% | LARAF |
| Val-1541 | 76.86% | 53.63% | FGVPV |
| Tyr-1591 | 65.63% | 24.91% | RTYTH |
| Glu-1621 | 48.99% | 17.00% | THEVV |
| Tyr-1791 | 52.00% | 21.98% | CKYYS |
| Ser-2391 | 67.00% | 22.55% | KPSFP |
| Leu-2961 | 63.57% | 31.56% | PHLRL |
| Lys-064 | 36.47% | 0.92% | FQKVE |
| Ala-2144 | 28.78% | 5.11% | YKARN |
| Glu-283 | 42.33% | 3.10% | TGEVV |
| Val-304 | 25.12% | 4.24% | EVVAL |
| Ile-354 | 30.07% | 8.30% | KKIRL |
| The-413 | 81.00% | 4.41% | TETEG |
| Ile-524 | 32.43% | 8.13% | REISL |
| Leu-583 | 38.64% | 2.49% | KELNH |
| Leu-674 | 21.66% | 2.32% | KLLDV |
| Lys-753 | 34.41% | 4.76% | ENKLY |
| Phe-804 | 18.31% | 1.79% | LVFEF |
| Asp-864 | 22.69% | 3.80% | HQDLK |
| Met-914 | 25.31% | 2.80% | KFMDA |
| Ser-943 | 32.66% | 1.60% | DASLA |
| Leu-1014 | 21.28% | 1.92% | IPLPL |
| Gln-1104 | 16.18% | 0.96% | LFQLL |
| Cys-1184 | 22.42% | 1.35% | AFCHS |
| Val-1233 | 30.91% | 4.41% | HRVLH |
| Leu-1334 | 16.82% | 1.92% | QNLLI |
| Ile-1354 | 18.20% | 1.09% | LLINT |
| Ala-1404 | 21.09% | 2.53% | EGAIK |
| Trp-1674 | 20.97% | 3.80% | TLWYR |
| Leu-1754 | 25.24% | 4.50% | ILLGC |
| Ser-1814 | 24.78% | 3.06% | YYSTA |
| Trp-1874 | 14.35% | 1.66% | DIWSL |
| Ser-1884 | 14.50% | 0.52% | IWSLG |
| Arg-2004 | 31.67% | 1.70% | TRRAL |
| Pro-2044 | 25.81% | 2.62% | LFPGD |
| Arg-2174 | 24.70% | 1.35% | IFRTL |
| Val-2264 | 33.73% | 2.18% | EVVWP |
| Trp-2434 | 30.57% | 0.48% | PKWAR |
| Leu-2554 | 26.76% | 0.83% | PPLDE |
| Leu-2624 | 16.14% | 0.35% | RSLLS |
| Ala-2804 | 17.28% | 0.52% | KAALA |
| Phe-2854 | 20.06% | 0.66% | HPFFQ |
| Asp-2883 | 31.78% | 0.44% | FQDVT |