Project name: RSV_505W509F [mutate: FW442A, SF446A, FW442C, SF446C, FW442B, SF446B]
Status: done
Started: 2025-12-13 15:22:48
| Chain sequence(s) |
A: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH
C: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH B: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Mutated residues | SF446A,FW442A,FW442B,SF446B,SF446C,FW442C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -1.45363 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:30:38)
[INFO] CABS: Running CABS flex simulation (00:35:37)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (08:21:13)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:21:42)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:22:10)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:22:38)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:23:06)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:23:34)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:24:03)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:24:31)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:25:00)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:25:28)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:25:57)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:26:25)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:26:53)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:27:50)
[INFO] Main: Simulation completed successfully. (08:28:18)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -4.0461
- Maximal score value
- 1.7212
- Average score
- -0.5025
- Total score value
- -679.9475
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | Q | A | -2.2774 | |
| 2 | N | A | -2.5963 | |
| 3 | I | A | 0.0000 | |
| 4 | T | A | -1.4567 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | -0.3278 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | 0.0000 | |
| 9 | Q | A | -1.0104 | |
| 10 | S | A | -0.9284 | |
| 11 | T | A | 0.0000 | |
| 12 | C | A | 0.0000 | |
| 13 | S | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | V | A | 0.0000 | |
| 16 | S | A | 0.0000 | |
| 17 | K | A | -1.6601 | |
| 18 | G | A | -1.0825 | |
| 19 | Y | A | 0.0000 | |
| 20 | L | A | 0.5309 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | -0.0392 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | 0.0718 | |
| 26 | G | A | 0.1323 | |
| 27 | W | A | 0.3349 | |
| 28 | Y | A | 0.4466 | |
| 29 | T | A | 0.0000 | |
| 30 | S | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | T | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | E | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | N | A | -1.8894 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -2.7661 | |
| 41 | E | A | -3.0445 | |
| 42 | N | A | -2.9706 | |
| 43 | K | A | -3.2901 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -3.5370 | |
| 46 | G | A | -2.5316 | |
| 47 | T | A | -2.1272 | |
| 48 | D | A | -3.1642 | |
| 49 | A | A | -2.1382 | |
| 50 | K | A | -1.8954 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -3.3661 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -3.0821 | |
| 56 | Q | A | -1.9271 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -2.4836 | |
| 60 | K | A | -1.3722 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -1.8495 | |
| 63 | N | A | -1.1402 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.4374 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -0.8174 | |
| 70 | L | A | -0.3035 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | 0.0000 | |
| 73 | Q | A | -1.4421 | |
| 74 | S | A | -0.8399 | |
| 75 | T | A | -0.6089 | |
| 76 | P | A | -0.5628 | |
| 77 | A | A | -0.5185 | |
| 78 | A | A | -0.2560 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | G | A | -0.8660 | |
| 83 | S | A | 0.0000 | |
| 84 | A | A | 0.1338 | |
| 85 | I | A | 0.3947 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | 0.0653 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -0.6066 | |
| 94 | V | A | -0.1471 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -0.7972 | |
| 97 | L | A | 0.2148 | |
| 98 | E | A | -1.6801 | |
| 99 | G | A | -1.3745 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -2.2374 | |
| 103 | K | A | -1.1847 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -1.2752 | |
| 106 | S | A | -0.5083 | |
| 107 | A | A | 0.1386 | |
| 108 | L | A | 0.2643 | |
| 109 | L | A | 1.2511 | |
| 110 | S | A | 0.2389 | |
| 111 | T | A | 0.0137 | |
| 112 | N | A | 0.0000 | |
| 113 | K | A | -0.4851 | |
| 114 | A | A | 0.5651 | |
| 115 | V | A | 1.4951 | |
| 116 | V | A | 0.9579 | |
| 117 | S | A | 0.2256 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | -0.6215 | |
| 120 | N | A | -1.1371 | |
| 121 | G | A | -1.1690 | |
| 122 | V | A | -0.1926 | |
| 123 | S | A | 0.3084 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | K | A | -0.1437 | |
| 129 | V | A | 0.0000 | |
| 130 | L | A | -0.3875 | |
| 131 | D | A | -1.0082 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -1.8808 | |
| 134 | N | A | -2.1365 | |
| 135 | Y | A | -1.3210 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -2.5230 | |
| 138 | K | A | -2.6092 | |
| 139 | Q | A | -1.2936 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.1135 | |
| 142 | P | A | -0.9408 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -2.4026 | |
| 146 | K | A | -3.1219 | |
| 147 | Q | A | -2.1349 | |
| 148 | S | A | 0.0000 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -0.1282 | |
| 151 | I | A | 0.8454 | |
| 152 | S | A | 0.1522 | |
| 153 | N | A | -0.5645 | |
| 154 | I | A | 0.0000 | |
| 155 | E | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -0.8529 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.6495 | |
| 162 | Q | A | -0.7203 | |
| 163 | K | A | 0.0000 | |
| 164 | N | A | -0.7380 | |
| 165 | N | A | -0.9656 | |
| 166 | R | A | -0.7589 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | -0.5944 | |
| 169 | E | A | -0.7501 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.7096 | |
| 173 | E | A | -0.8290 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.3938 | |
| 177 | N | A | -0.6829 | |
| 178 | A | A | -0.4260 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.1330 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.0284 | |
| 183 | P | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | -0.1722 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | 0.0407 | |
| 188 | M | A | 0.0482 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | -0.0175 | |
| 191 | N | A | 0.0000 | |
| 192 | S | A | -0.1085 | |
| 193 | E | A | -0.2847 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | -0.3198 | |
| 196 | S | A | -0.6882 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -2.1330 | |
| 200 | D | A | -1.4819 | |
| 201 | M | A | 0.0000 | |
| 202 | P | A | -0.4684 | |
| 203 | I | A | -1.0176 | |
| 204 | T | A | -1.3505 | |
| 205 | N | A | -2.6905 | |
| 206 | D | A | -2.6118 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.5581 | |
| 209 | K | A | -3.0394 | |
| 210 | L | A | -1.6653 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -1.3948 | |
| 213 | N | A | -1.5950 | |
| 214 | N | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | Q | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | R | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | Q | A | -0.2519 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.4059 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | K | A | -2.3425 | |
| 231 | E | A | -2.9637 | |
| 232 | E | A | -2.7004 | |
| 233 | V | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | A | A | -0.2761 | |
| 236 | Y | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | Q | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | P | A | 0.0000 | |
| 242 | L | A | 0.0952 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | -0.2450 | |
| 245 | V | A | 0.0737 | |
| 246 | I | A | -0.3891 | |
| 247 | D | A | -1.2996 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.5612 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | 0.0000 | |
| 252 | K | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | H | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | -0.0899 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | -0.1122 | |
| 260 | T | A | -0.4799 | |
| 261 | T | A | -0.3527 | |
| 262 | N | A | 0.0000 | |
| 263 | T | A | -0.9403 | |
| 264 | K | A | -1.4033 | |
| 265 | E | A | -2.0517 | |
| 266 | G | A | -1.3339 | |
| 267 | S | A | -0.6787 | |
| 268 | N | A | -0.1585 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | -1.3916 | |
| 275 | D | A | -2.0348 | |
| 276 | R | A | -2.4904 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.7273 | |
| 282 | N | A | 0.0000 | |
| 283 | A | A | -0.4477 | |
| 284 | G | A | -0.5915 | |
| 285 | S | A | -0.4680 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.3805 | |
| 291 | Q | A | -2.2428 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | -1.3534 | |
| 294 | T | A | -0.8007 | |
| 295 | C | A | -0.4097 | |
| 296 | K | A | -0.6667 | |
| 297 | V | A | -0.2647 | |
| 298 | Q | A | 0.0000 | |
| 299 | S | A | -0.5795 | |
| 300 | N | A | -0.8228 | |
| 301 | R | A | -0.3520 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | -0.4362 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | -0.1359 | |
| 308 | N | A | -0.6999 | |
| 309 | S | A | -0.2796 | |
| 310 | L | A | 0.0014 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.4641 | |
| 314 | S | A | -0.7410 | |
| 315 | E | A | 0.0000 | |
| 316 | V | A | -0.5215 | |
| 317 | N | A | -1.1118 | |
| 318 | L | A | 0.0000 | |
| 319 | C | A | -0.6842 | |
| 320 | N | A | -1.0698 | |
| 321 | V | A | 0.0000 | |
| 322 | D | A | -1.6295 | |
| 323 | I | A | 0.0853 | |
| 324 | F | A | 0.9937 | |
| 325 | N | A | -0.4313 | |
| 326 | P | A | -0.5058 | |
| 327 | K | A | -0.5277 | |
| 328 | Y | A | 0.6485 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.4153 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.2087 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -0.2146 | |
| 338 | D | A | -0.4117 | |
| 339 | V | A | 0.2727 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | 0.0315 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | 0.3895 | |
| 344 | I | A | 0.0000 | |
| 345 | T | A | 0.0000 | |
| 346 | S | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | C | A | 0.0000 | |
| 354 | Y | A | -0.6764 | |
| 355 | G | A | -1.0535 | |
| 356 | K | A | -1.0807 | |
| 357 | T | A | 0.0000 | |
| 358 | K | A | -1.9769 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | -0.1254 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.1414 | |
| 363 | N | A | -1.3447 | |
| 364 | K | A | -2.1179 | |
| 365 | N | A | -2.8812 | |
| 366 | R | A | -2.6340 | |
| 367 | G | A | -1.3624 | |
| 368 | I | A | 0.2699 | |
| 369 | I | A | 1.4839 | |
| 370 | K | A | 0.2144 | |
| 371 | T | A | -0.1977 | |
| 372 | F | A | -0.1605 | |
| 373 | S | A | -1.0098 | |
| 374 | N | A | -0.9319 | |
| 375 | G | A | -0.5580 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | -0.5037 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.0499 | |
| 380 | S | A | -0.4276 | |
| 381 | N | A | -1.1841 | |
| 382 | K | A | -2.0002 | |
| 383 | G | A | -1.1605 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | T | A | 0.0415 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | 0.0459 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.7910 | |
| 391 | N | A | -0.2839 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.7679 | |
| 394 | Y | A | 0.7857 | |
| 395 | Y | A | 0.3610 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | -0.9309 | |
| 398 | K | A | 0.0000 | |
| 399 | Q | A | -1.1616 | |
| 400 | E | A | 0.0000 | |
| 401 | G | A | -2.0442 | |
| 402 | K | A | -2.0938 | |
| 403 | S | A | -0.3268 | |
| 404 | L | A | 1.4245 | |
| 405 | Y | A | 1.4784 | |
| 406 | V | A | 0.2119 | |
| 407 | K | A | -1.8121 | |
| 408 | G | A | -1.7432 | |
| 409 | E | A | 0.0000 | |
| 410 | P | A | -0.7247 | |
| 411 | I | A | 0.0000 | |
| 412 | I | A | -0.3549 | |
| 413 | N | A | -1.0451 | |
| 414 | F | A | 0.0968 | |
| 415 | Y | A | 0.0000 | |
| 416 | D | A | -1.2072 | |
| 417 | P | A | 0.0000 | |
| 418 | L | A | 1.4099 | |
| 419 | V | A | 0.7124 | |
| 420 | F | A | 0.5962 | |
| 421 | P | A | 0.0000 | |
| 422 | S | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | E | A | 0.4110 | |
| 425 | F | A | 1.0739 | |
| 426 | D | A | -0.0594 | |
| 427 | A | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | -0.6147 | |
| 431 | Q | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | N | A | -1.3345 | |
| 434 | E | A | -2.0236 | |
| 435 | K | A | -1.4202 | |
| 436 | I | A | -0.9495 | |
| 437 | N | A | -1.9937 | |
| 438 | Q | A | -1.5000 | |
| 439 | S | A | -0.5171 | |
| 440 | L | A | -0.5549 | |
| 441 | A | A | -1.1261 | |
| 442 | W | A | -0.8750 | mutated: FW442A |
| 443 | I | A | -1.3340 | |
| 444 | R | A | -2.6658 | |
| 445 | K | A | -1.8289 | |
| 446 | F | A | 0.0000 | mutated: SF446A |
| 447 | D | A | -2.2664 | |
| 448 | E | A | -2.6465 | |
| 449 | L | A | -0.4830 | |
| 450 | L | A | -0.2307 | |
| 451 | H | A | -1.1157 | |
| 1 | Q | B | -1.6503 | |
| 2 | N | B | -2.4151 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.4071 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | 0.1322 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | 0.0000 | |
| 9 | Q | B | -0.8898 | |
| 10 | S | B | 0.0000 | |
| 11 | T | B | 0.0000 | |
| 12 | C | B | 0.0000 | |
| 13 | S | B | 0.0000 | |
| 14 | A | B | 0.0000 | |
| 15 | V | B | 0.0000 | |
| 16 | S | B | 0.0000 | |
| 17 | K | B | -0.8465 | |
| 18 | G | B | -0.9732 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.5351 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | -0.0277 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.1239 | |
| 26 | G | B | 0.1222 | |
| 27 | W | B | 0.0000 | |
| 28 | Y | B | 0.0000 | |
| 29 | T | B | 0.0000 | |
| 30 | S | B | 0.0000 | |
| 31 | V | B | 0.0000 | |
| 32 | I | B | 0.0000 | |
| 33 | T | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | E | B | -1.6245 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | 0.0000 | |
| 38 | N | B | -2.2854 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -2.8317 | |
| 41 | E | B | 0.0000 | |
| 42 | N | B | -2.9787 | |
| 43 | K | B | -2.2353 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -2.0371 | |
| 46 | G | B | -1.3934 | |
| 47 | T | B | -1.3331 | |
| 48 | D | B | -2.3314 | |
| 49 | A | B | -1.6129 | |
| 50 | K | B | 0.0000 | |
| 51 | V | B | -2.1999 | |
| 52 | K | B | -2.8770 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -3.2606 | |
| 56 | Q | B | -2.4869 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -2.8385 | |
| 60 | K | B | -1.8660 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.6243 | |
| 63 | N | B | -1.5426 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -0.8325 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -0.9158 | |
| 70 | L | B | -0.1126 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.4009 | |
| 73 | Q | B | -0.6583 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.2340 | |
| 76 | P | B | -0.1992 | |
| 77 | A | B | 0.0000 | |
| 78 | A | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | 0.0000 | |
| 81 | G | B | 0.0000 | |
| 82 | G | B | -0.3437 | |
| 83 | S | B | 0.0000 | |
| 84 | A | B | 0.2443 | |
| 85 | I | B | 0.5703 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.2173 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | A | B | -0.1713 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | -0.1826 | |
| 93 | K | B | -0.7913 | |
| 94 | V | B | -0.4858 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -0.7771 | |
| 97 | L | B | -0.0234 | |
| 98 | E | B | -2.0269 | |
| 99 | G | B | -1.6757 | |
| 100 | E | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | N | B | -2.5903 | |
| 103 | K | B | -1.7115 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -2.3146 | |
| 106 | S | B | -1.0007 | |
| 107 | A | B | 0.0000 | |
| 108 | L | B | -0.5269 | |
| 109 | L | B | 0.9063 | |
| 110 | S | B | 0.0347 | |
| 111 | T | B | -0.3708 | |
| 112 | N | B | -0.9932 | |
| 113 | K | B | -1.7172 | |
| 114 | A | B | -0.2859 | |
| 115 | V | B | 1.2807 | |
| 116 | V | B | 0.6721 | |
| 117 | S | B | 0.0858 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.9999 | |
| 120 | N | B | -1.0252 | |
| 121 | G | B | -1.4256 | |
| 122 | V | B | -0.1680 | |
| 123 | S | B | 0.3432 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | 0.0000 | |
| 128 | K | B | -1.0703 | |
| 129 | V | B | 0.0000 | |
| 130 | L | B | 0.0000 | |
| 131 | D | B | -1.0015 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -1.5740 | |
| 134 | N | B | -1.2131 | |
| 135 | Y | B | -0.3296 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -1.6099 | |
| 138 | K | B | -1.3333 | |
| 139 | Q | B | 0.0000 | |
| 140 | L | B | -0.8218 | |
| 141 | L | B | -0.0177 | |
| 142 | P | B | -0.7576 | |
| 143 | I | B | 0.0000 | |
| 144 | V | B | -0.5646 | |
| 145 | N | B | -1.4782 | |
| 146 | K | B | -1.3802 | |
| 147 | Q | B | -1.8750 | |
| 148 | S | B | -1.3455 | |
| 149 | C | B | 0.0000 | |
| 150 | S | B | -0.7752 | |
| 151 | I | B | -0.3958 | |
| 152 | S | B | -0.4736 | |
| 153 | N | B | -0.7242 | |
| 154 | I | B | 0.0000 | |
| 155 | E | B | 0.0000 | |
| 156 | T | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | -0.8188 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.7066 | |
| 162 | Q | B | -0.9203 | |
| 163 | K | B | -0.8438 | |
| 164 | N | B | 0.0000 | |
| 165 | N | B | -1.2562 | |
| 166 | R | B | -1.0885 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | -0.7695 | |
| 169 | E | B | -1.0926 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.6497 | |
| 173 | E | B | -0.3504 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | 0.1873 | |
| 177 | N | B | -0.1871 | |
| 178 | A | B | 0.0000 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.3928 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | 0.0492 | |
| 183 | P | B | -0.1280 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | -0.0750 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | 0.0124 | |
| 191 | N | B | 0.0499 | |
| 192 | S | B | 0.0536 | |
| 193 | E | B | -0.3372 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | 0.4359 | |
| 196 | S | B | -0.3560 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -1.6150 | |
| 200 | D | B | -0.7994 | |
| 201 | M | B | -0.1220 | |
| 202 | P | B | -0.0472 | |
| 203 | I | B | -0.8407 | |
| 204 | T | B | -1.5230 | |
| 205 | N | B | -2.7863 | |
| 206 | D | B | -2.9586 | |
| 207 | Q | B | 0.0000 | |
| 208 | K | B | -2.1989 | |
| 209 | K | B | -2.9647 | |
| 210 | L | B | -1.6625 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -1.1449 | |
| 213 | N | B | -1.4421 | |
| 214 | N | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | Q | B | 0.0000 | |
| 217 | I | B | 0.0000 | |
| 218 | V | B | 0.0000 | |
| 219 | R | B | 0.0000 | |
| 220 | Q | B | -0.5376 | |
| 221 | Q | B | -0.3225 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.2138 | |
| 224 | S | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | M | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | I | B | 0.0000 | |
| 229 | I | B | -0.8753 | |
| 230 | K | B | -1.8078 | |
| 231 | E | B | -2.5428 | |
| 232 | E | B | -2.2704 | |
| 233 | V | B | 0.0000 | |
| 234 | L | B | 0.0000 | |
| 235 | A | B | 0.0000 | |
| 236 | Y | B | 0.0000 | |
| 237 | V | B | 0.0000 | |
| 238 | V | B | 0.0000 | |
| 239 | Q | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | P | B | 0.0000 | |
| 242 | L | B | 0.3660 | |
| 243 | Y | B | 0.4734 | |
| 244 | G | B | 0.4430 | |
| 245 | V | B | 0.5616 | |
| 246 | I | B | -0.1520 | |
| 247 | D | B | -1.4631 | |
| 248 | T | B | 0.0000 | |
| 249 | P | B | -0.7012 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.0088 | |
| 252 | K | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | H | B | 0.0000 | |
| 255 | T | B | 0.0000 | |
| 256 | S | B | 0.0000 | |
| 257 | P | B | -0.2437 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0000 | |
| 260 | T | B | -1.0605 | |
| 261 | T | B | -1.1045 | |
| 262 | N | B | -1.7238 | |
| 263 | T | B | -1.0560 | |
| 264 | K | B | -1.0622 | |
| 265 | E | B | 0.0000 | |
| 266 | G | B | -0.7691 | |
| 267 | S | B | 0.0000 | |
| 268 | N | B | -0.7223 | |
| 269 | I | B | 0.0000 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | 0.0000 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | 0.0000 | |
| 275 | D | B | -2.4218 | |
| 276 | R | B | -2.4253 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -0.8212 | |
| 282 | N | B | -0.8434 | |
| 283 | A | B | -0.5158 | |
| 284 | G | B | -0.7504 | |
| 285 | S | B | -0.7254 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.4013 | |
| 291 | Q | B | -2.2233 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -1.7551 | |
| 294 | T | B | -1.0512 | |
| 295 | C | B | 0.0000 | |
| 296 | K | B | -1.3057 | |
| 297 | V | B | 0.0000 | |
| 298 | Q | B | -0.9753 | |
| 299 | S | B | -1.0789 | |
| 300 | N | B | -1.1433 | |
| 301 | R | B | -1.3386 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.3505 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.1646 | |
| 308 | N | B | -0.6126 | |
| 309 | S | B | -0.0224 | |
| 310 | L | B | 0.1446 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.5553 | |
| 314 | S | B | -0.7417 | |
| 315 | E | B | 0.0000 | |
| 316 | V | B | -0.5586 | |
| 317 | N | B | -1.1235 | |
| 318 | L | B | 0.0000 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | 0.0000 | |
| 321 | V | B | 0.0000 | |
| 322 | D | B | -1.4522 | |
| 323 | I | B | 0.1466 | |
| 324 | F | B | 0.7751 | |
| 325 | N | B | -0.8807 | |
| 326 | P | B | -1.1323 | |
| 327 | K | B | -1.9148 | |
| 328 | Y | B | -1.2695 | |
| 329 | D | B | -1.0815 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -1.2886 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.1076 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | -0.4925 | |
| 338 | D | B | 0.0000 | |
| 339 | V | B | 0.0000 | |
| 340 | S | B | -0.3106 | |
| 341 | S | B | -0.0696 | |
| 342 | S | B | -0.0717 | |
| 343 | V | B | 0.0000 | |
| 344 | I | B | 0.0000 | |
| 345 | T | B | 0.0000 | |
| 346 | S | B | 0.0000 | |
| 347 | L | B | 0.0000 | |
| 348 | G | B | 0.0000 | |
| 349 | A | B | 0.0000 | |
| 350 | I | B | 0.0000 | |
| 351 | V | B | 0.0000 | |
| 352 | S | B | 0.0000 | |
| 353 | C | B | 0.0000 | |
| 354 | Y | B | 0.0000 | |
| 355 | G | B | -0.7953 | |
| 356 | K | B | 0.0000 | |
| 357 | T | B | -1.0108 | |
| 358 | K | B | -1.8989 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | -0.1722 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | -0.0356 | |
| 363 | N | B | -1.3068 | |
| 364 | K | B | -2.0348 | |
| 365 | N | B | -2.6913 | |
| 366 | R | B | -2.6270 | |
| 367 | G | B | -0.8064 | |
| 368 | I | B | 1.2146 | |
| 369 | I | B | 0.7776 | |
| 370 | K | B | 0.1550 | |
| 371 | T | B | -0.1536 | |
| 372 | F | B | 0.0000 | |
| 373 | S | B | -1.4441 | |
| 374 | N | B | -1.6391 | |
| 375 | G | B | -1.0883 | |
| 376 | C | B | 0.0000 | |
| 377 | D | B | -0.5183 | |
| 378 | Y | B | 0.2350 | |
| 379 | V | B | 0.0000 | |
| 380 | S | B | -0.6088 | |
| 381 | N | B | -1.5059 | |
| 382 | K | B | -2.9167 | |
| 383 | G | B | -2.3111 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | -1.2577 | |
| 386 | T | B | -0.1142 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.3343 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.8052 | |
| 391 | N | B | -0.3748 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.2182 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.0474 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | -1.6161 | |
| 399 | Q | B | -2.3900 | |
| 400 | E | B | -3.3070 | |
| 401 | G | B | 0.0000 | |
| 402 | K | B | -2.5960 | |
| 403 | S | B | -0.8622 | |
| 404 | L | B | 0.9027 | |
| 405 | Y | B | 1.3480 | |
| 406 | V | B | 0.5014 | |
| 407 | K | B | -1.4925 | |
| 408 | G | B | -1.6892 | |
| 409 | E | B | -1.8592 | |
| 410 | P | B | -1.0123 | |
| 411 | I | B | 0.0000 | |
| 412 | I | B | 0.0000 | |
| 413 | N | B | -0.9059 | |
| 414 | F | B | 0.8405 | |
| 415 | Y | B | 0.0000 | |
| 416 | D | B | -0.4292 | |
| 417 | P | B | -0.0992 | |
| 418 | L | B | 0.5736 | |
| 419 | V | B | 0.7099 | |
| 420 | F | B | 0.0000 | |
| 421 | P | B | -0.3021 | |
| 422 | S | B | 0.0000 | |
| 423 | D | B | 0.1700 | |
| 424 | E | B | 0.0000 | |
| 425 | F | B | 1.1774 | |
| 426 | D | B | 0.1120 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | 0.0000 | |
| 430 | S | B | -1.4606 | |
| 431 | Q | B | 0.0000 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -1.2120 | |
| 434 | E | B | -2.5110 | |
| 435 | K | B | -1.6552 | |
| 436 | I | B | -0.9142 | |
| 437 | N | B | -1.6185 | |
| 438 | Q | B | -1.1249 | |
| 439 | S | B | -0.2780 | |
| 440 | L | B | 0.2269 | |
| 441 | A | B | -0.5688 | |
| 442 | W | B | -0.3083 | mutated: FW442B |
| 443 | I | B | -0.8103 | |
| 444 | R | B | -2.3122 | |
| 445 | K | B | -2.1407 | |
| 446 | F | B | 0.0000 | mutated: SF446B |
| 447 | D | B | -2.5397 | |
| 448 | E | B | -2.7054 | |
| 449 | L | B | -0.6405 | |
| 450 | L | B | -0.2255 | |
| 451 | H | B | -1.2330 | |
| 1 | Q | C | -2.3013 | |
| 2 | N | C | -2.7085 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -1.6246 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | -0.3404 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | -0.4015 | |
| 9 | Q | C | -0.9701 | |
| 10 | S | C | 0.0000 | |
| 11 | T | C | 0.0000 | |
| 12 | C | C | 0.0000 | |
| 13 | S | C | 0.0000 | |
| 14 | A | C | 0.0000 | |
| 15 | V | C | 0.0000 | |
| 16 | S | C | 0.0000 | |
| 17 | K | C | -1.9056 | |
| 18 | G | C | -1.3406 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.4417 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.1800 | |
| 25 | T | C | 0.2187 | |
| 26 | G | C | 0.1753 | |
| 27 | W | C | 0.5501 | |
| 28 | Y | C | 0.4558 | |
| 29 | T | C | 0.0000 | |
| 30 | S | C | 0.0000 | |
| 31 | V | C | 0.0000 | |
| 32 | I | C | 0.0000 | |
| 33 | T | C | 0.0000 | |
| 34 | I | C | 0.0000 | |
| 35 | E | C | -1.6093 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | -1.9555 | |
| 38 | N | C | 0.0000 | |
| 39 | I | C | 0.0000 | |
| 40 | K | C | -3.1832 | |
| 41 | E | C | -3.2934 | |
| 42 | N | C | -3.9350 | |
| 43 | K | C | -4.0461 | |
| 44 | C | C | 0.0000 | |
| 45 | N | C | -3.3169 | |
| 46 | G | C | -2.2510 | |
| 47 | T | C | -0.9925 | |
| 48 | D | C | -1.1301 | |
| 49 | A | C | -1.0486 | |
| 50 | K | C | 0.0000 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -2.6418 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.9894 | |
| 56 | Q | C | -2.4127 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -3.0518 | |
| 60 | K | C | -1.8134 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -3.0485 | |
| 63 | N | C | -1.8166 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -1.1033 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -1.0303 | |
| 70 | L | C | -0.4634 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.2820 | |
| 73 | Q | C | -0.7022 | |
| 74 | S | C | -0.3678 | |
| 75 | T | C | -0.2759 | |
| 76 | P | C | -0.1856 | |
| 77 | A | C | -0.2075 | |
| 78 | A | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | 0.0000 | |
| 81 | G | C | 0.0000 | |
| 82 | G | C | -0.6406 | |
| 83 | S | C | 0.0000 | |
| 84 | A | C | 0.0969 | |
| 85 | I | C | 0.2508 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.0000 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.0000 | |
| 90 | A | C | 0.0000 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -1.0177 | |
| 94 | V | C | 0.0000 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -0.9445 | |
| 97 | L | C | -0.3618 | |
| 98 | E | C | -2.1142 | |
| 99 | G | C | -1.7877 | |
| 100 | E | C | 0.0000 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.7204 | |
| 103 | K | C | -2.7743 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.6598 | |
| 106 | S | C | -0.9956 | |
| 107 | A | C | -0.3438 | |
| 108 | L | C | 0.0000 | |
| 109 | L | C | 0.6678 | |
| 110 | S | C | -0.2831 | |
| 111 | T | C | -0.2647 | |
| 112 | N | C | -0.3222 | |
| 113 | K | C | -1.1485 | |
| 114 | A | C | 0.1686 | |
| 115 | V | C | 1.2374 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | -0.1133 | |
| 118 | L | C | 0.0000 | |
| 119 | S | C | -0.6885 | |
| 120 | N | C | -1.2220 | |
| 121 | G | C | -1.3519 | |
| 122 | V | C | -0.3327 | |
| 123 | S | C | 0.2195 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.0000 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | 0.0000 | |
| 128 | K | C | -0.7614 | |
| 129 | V | C | 0.0000 | |
| 130 | L | C | 0.0000 | |
| 131 | D | C | -1.0433 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -2.1241 | |
| 134 | N | C | -2.3737 | |
| 135 | Y | C | -1.2993 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -2.7733 | |
| 138 | K | C | -2.5336 | |
| 139 | Q | C | 0.0000 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.0874 | |
| 142 | P | C | -1.2066 | |
| 143 | I | C | -0.7387 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -2.7753 | |
| 146 | K | C | -2.5604 | |
| 147 | Q | C | -1.9245 | |
| 148 | S | C | -0.8422 | |
| 149 | C | C | 0.0457 | |
| 150 | S | C | -0.1544 | |
| 151 | I | C | 0.0000 | |
| 152 | S | C | 0.0000 | |
| 153 | N | C | -0.4903 | |
| 154 | I | C | 0.0000 | |
| 155 | E | C | 0.0000 | |
| 156 | T | C | -0.7009 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | -0.6579 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.6252 | |
| 162 | Q | C | -0.6398 | |
| 163 | K | C | 0.0000 | |
| 164 | N | C | 0.0000 | |
| 165 | N | C | -0.7184 | |
| 166 | R | C | -0.4864 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.3551 | |
| 169 | E | C | 0.0000 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.4593 | |
| 173 | E | C | 0.0000 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | 0.1457 | |
| 177 | N | C | -0.7472 | |
| 178 | A | C | 0.0000 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.2328 | |
| 181 | T | C | -0.0161 | |
| 182 | T | C | -0.1273 | |
| 183 | P | C | -0.2337 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | -0.0387 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | 0.0521 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.0206 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.0211 | |
| 193 | E | C | -0.4252 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.2741 | |
| 196 | S | C | -0.9030 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -2.4521 | |
| 200 | D | C | -2.3013 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -1.1435 | |
| 203 | I | C | -1.1603 | |
| 204 | T | C | -1.7302 | |
| 205 | N | C | -3.2140 | |
| 206 | D | C | -3.0649 | |
| 207 | Q | C | -1.8521 | |
| 208 | K | C | -2.6597 | |
| 209 | K | C | -2.9791 | |
| 210 | L | C | -1.4303 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -1.0784 | |
| 213 | N | C | -0.5637 | |
| 214 | N | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | Q | C | 0.0000 | |
| 217 | I | C | -0.2119 | |
| 218 | V | C | 0.0000 | |
| 219 | R | C | 0.0000 | |
| 220 | Q | C | -0.8662 | |
| 221 | Q | C | -0.6123 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | -0.0391 | |
| 224 | S | C | 0.0000 | |
| 225 | I | C | 0.0000 | |
| 226 | M | C | 0.0000 | |
| 227 | S | C | 0.0000 | |
| 228 | I | C | 0.0000 | |
| 229 | I | C | 0.0000 | |
| 230 | K | C | -2.1622 | |
| 231 | E | C | -2.8878 | |
| 232 | E | C | -2.9112 | |
| 233 | V | C | 0.0000 | |
| 234 | L | C | 0.0000 | |
| 235 | A | C | 0.0000 | |
| 236 | Y | C | 0.0000 | |
| 237 | V | C | 0.0000 | |
| 238 | V | C | 0.0000 | |
| 239 | Q | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | P | C | 0.0000 | |
| 242 | L | C | 0.3227 | |
| 243 | Y | C | 0.0000 | |
| 244 | G | C | 0.2491 | |
| 245 | V | C | 0.5231 | |
| 246 | I | C | 0.2524 | |
| 247 | D | C | -1.1885 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.9275 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | -0.7121 | |
| 252 | K | C | 0.0000 | |
| 253 | L | C | 0.0000 | |
| 254 | H | C | 0.0000 | |
| 255 | T | C | -0.5070 | |
| 256 | S | C | 0.0000 | |
| 257 | P | C | -0.1862 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | -0.4217 | |
| 261 | T | C | -0.2819 | |
| 262 | N | C | 0.0000 | |
| 263 | T | C | -0.5764 | |
| 264 | K | C | 0.0000 | |
| 265 | E | C | 0.0000 | |
| 266 | G | C | -1.2184 | |
| 267 | S | C | -1.0265 | |
| 268 | N | C | -0.2221 | |
| 269 | I | C | 0.1798 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | -0.4524 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | -1.2207 | |
| 275 | D | C | -2.6295 | |
| 276 | R | C | -2.4266 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.9966 | |
| 282 | N | C | -0.6800 | |
| 283 | A | C | -0.3569 | |
| 284 | G | C | -0.7146 | |
| 285 | S | C | -0.6795 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.6252 | |
| 291 | Q | C | -2.1228 | |
| 292 | A | C | 0.0000 | |
| 293 | E | C | -1.1442 | |
| 294 | T | C | -0.8637 | |
| 295 | C | C | 0.0000 | |
| 296 | K | C | -0.6620 | |
| 297 | V | C | 0.0000 | |
| 298 | Q | C | -0.7018 | |
| 299 | S | C | -1.0817 | |
| 300 | N | C | -1.0365 | |
| 301 | R | C | -0.5974 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0455 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | -0.4567 | |
| 306 | T | C | 0.0000 | |
| 307 | M | C | 0.4528 | |
| 308 | N | C | -0.8912 | |
| 309 | S | C | -0.3303 | |
| 310 | L | C | 0.2606 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.5756 | |
| 314 | S | C | -0.4716 | |
| 315 | E | C | -0.5415 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | -0.2673 | |
| 318 | L | C | 0.5839 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | -0.7259 | |
| 321 | V | C | 0.0000 | |
| 322 | D | C | -0.7577 | |
| 323 | I | C | 0.0000 | |
| 324 | F | C | 0.0000 | |
| 325 | N | C | -1.0381 | |
| 326 | P | C | -1.2432 | |
| 327 | K | C | -2.1955 | |
| 328 | Y | C | 0.0000 | |
| 329 | D | C | 0.0000 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.8651 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | -0.1651 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | 0.0990 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | -0.1666 | |
| 338 | D | C | 0.0000 | |
| 339 | V | C | 0.2625 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | 0.0158 | |
| 342 | S | C | 0.0000 | |
| 343 | V | C | 0.4022 | |
| 344 | I | C | 0.0000 | |
| 345 | T | C | 0.0000 | |
| 346 | S | C | 0.0000 | |
| 347 | L | C | 0.0000 | |
| 348 | G | C | 0.0000 | |
| 349 | A | C | 0.0000 | |
| 350 | I | C | 0.0000 | |
| 351 | V | C | 0.0000 | |
| 352 | S | C | 0.0000 | |
| 353 | C | C | 0.0000 | |
| 354 | Y | C | -0.3550 | |
| 355 | G | C | -0.6364 | |
| 356 | K | C | -0.8089 | |
| 357 | T | C | -1.1726 | |
| 358 | K | C | -2.0028 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | -0.1211 | |
| 361 | A | C | 0.5592 | |
| 362 | S | C | -0.0278 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -2.0021 | |
| 365 | N | C | -2.6785 | |
| 366 | R | C | -2.6221 | |
| 367 | G | C | -1.2026 | |
| 368 | I | C | 0.4930 | |
| 369 | I | C | 1.7212 | |
| 370 | K | C | 0.9242 | |
| 371 | T | C | -0.1702 | |
| 372 | F | C | 0.0000 | |
| 373 | S | C | -1.0177 | |
| 374 | N | C | -1.0686 | |
| 375 | G | C | -0.5956 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -0.4602 | |
| 378 | Y | C | 0.0000 | |
| 379 | V | C | 1.2402 | |
| 380 | S | C | -0.1256 | |
| 381 | N | C | -1.7711 | |
| 382 | K | C | -2.5725 | |
| 383 | G | C | -2.2596 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | 0.0000 | |
| 386 | T | C | 0.0000 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.1627 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -0.7463 | |
| 391 | N | C | -0.5241 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.1679 | |
| 394 | Y | C | 0.3795 | |
| 395 | Y | C | 0.2196 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | 0.0000 | |
| 399 | Q | C | -1.9524 | |
| 400 | E | C | 0.0000 | |
| 401 | G | C | -2.4043 | |
| 402 | K | C | -2.1294 | |
| 403 | S | C | -0.3624 | |
| 404 | L | C | 1.3975 | |
| 405 | Y | C | 1.1192 | |
| 406 | V | C | 0.0144 | |
| 407 | K | C | -1.7788 | |
| 408 | G | C | -1.5788 | |
| 409 | E | C | -1.7259 | |
| 410 | P | C | -1.3134 | |
| 411 | I | C | 0.0000 | |
| 412 | I | C | 0.0000 | |
| 413 | N | C | -1.7773 | |
| 414 | F | C | -0.8268 | |
| 415 | Y | C | -0.7500 | |
| 416 | D | C | -1.7115 | |
| 417 | P | C | -0.7153 | |
| 418 | L | C | -0.0670 | |
| 419 | V | C | 1.1956 | |
| 420 | F | C | 0.0000 | |
| 421 | P | C | 0.0773 | |
| 422 | S | C | 0.0397 | |
| 423 | D | C | 0.0000 | |
| 424 | E | C | -0.0345 | |
| 425 | F | C | 0.4232 | |
| 426 | D | C | -0.2695 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | -1.4394 | |
| 431 | Q | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -1.8625 | |
| 434 | E | C | -1.9750 | |
| 435 | K | C | -1.1148 | |
| 436 | I | C | 0.0000 | |
| 437 | N | C | -1.0474 | |
| 438 | Q | C | -0.7067 | |
| 439 | S | C | 0.0000 | |
| 440 | L | C | 0.2853 | |
| 441 | A | C | -0.3458 | |
| 442 | W | C | -0.2793 | mutated: FW442C |
| 443 | I | C | -0.1615 | |
| 444 | R | C | -2.0288 | |
| 445 | K | C | -1.3551 | |
| 446 | F | C | -0.8155 | mutated: SF446C |
| 447 | D | C | -2.4952 | |
| 448 | E | C | -2.1874 | |
| 449 | L | C | -0.1543 | |
| 450 | L | C | -0.3186 | |
| 451 | H | C | -1.0706 |
3Dmol can be expensive computationally for big molecules. If you experience lag or delay click on the "Play the video" button instead.
CABS-flex predictions of flexibility of input structure
In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.5025 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_7 | -0.5025 | View | CSV | PDB |
| model_9 | -0.5101 | View | CSV | PDB |
| model_8 | -0.5142 | View | CSV | PDB |
| model_10 | -0.5249 | View | CSV | PDB |
| model_5 | -0.5266 | View | CSV | PDB |
| CABS_average | -0.5299 | View | CSV | PDB |
| model_6 | -0.5333 | View | CSV | PDB |
| model_11 | -0.5351 | View | CSV | PDB |
| model_4 | -0.5364 | View | CSV | PDB |
| model_3 | -0.5375 | View | CSV | PDB |
| model_0 | -0.5384 | View | CSV | PDB |
| model_1 | -0.5457 | View | CSV | PDB |
| model_2 | -0.5539 | View | CSV | PDB |
| input | -0.6452 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine