Project name: RSV_505W509Y [mutate: FW442A, SY446A, FW442C, SY446C, FW442B, SY446B]
Status: done
Started: 2025-12-13 15:21:31
| 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 | SY446A,FW442A,FW442B,SY446B,SY446C,FW442C |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.514005 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:30:23)
[INFO] CABS: Running CABS flex simulation (00:36:07)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (08:15:55)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:16:22)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:16:50)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:17:18)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:17:45)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:18:13)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:18:41)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:19:09)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:19:37)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:20:05)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:20:33)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:21:01)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:21:28)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:22:25)
[INFO] Main: Simulation completed successfully. (08:22:53)
|
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
- -4.4055
- Maximal score value
- 2.0004
- Average score
- -0.5117
- Total score value
- -692.3236
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 | -2.0463 | |
| 2 | N | A | -2.1119 | |
| 3 | I | A | -1.3220 | |
| 4 | T | A | -1.0003 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | 0.1477 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | 0.0000 | |
| 9 | Q | A | -0.8414 | |
| 10 | S | A | -1.1650 | |
| 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 | -0.5125 | |
| 18 | G | A | -0.6996 | |
| 19 | Y | A | 0.0000 | |
| 20 | L | A | -0.8275 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | 0.2487 | |
| 26 | G | A | 0.1629 | |
| 27 | W | A | 0.2892 | |
| 28 | Y | A | 0.4319 | |
| 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 | -1.6599 | |
| 38 | N | A | -1.8521 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -2.7191 | |
| 41 | E | A | 0.0000 | |
| 42 | N | A | -2.9843 | |
| 43 | K | A | -3.3687 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -2.9151 | |
| 46 | G | A | -1.9723 | |
| 47 | T | A | -1.5531 | |
| 48 | D | A | -1.5363 | |
| 49 | A | A | -0.8503 | |
| 50 | K | A | -0.9705 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -1.7323 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -3.0059 | |
| 56 | Q | A | -1.7769 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -2.5852 | |
| 60 | K | A | -1.6234 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -1.8219 | |
| 63 | N | A | -1.3945 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.8577 | |
| 67 | E | A | -0.7010 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.0717 | |
| 70 | L | A | -0.5570 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | -0.6245 | |
| 73 | Q | A | -1.2791 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | -0.3059 | |
| 76 | P | A | 0.0000 | |
| 77 | A | A | -0.2975 | |
| 78 | A | A | -0.0147 | |
| 79 | G | A | -0.4001 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | G | A | -0.6980 | |
| 83 | S | A | -0.5577 | |
| 84 | A | A | -0.0487 | |
| 85 | I | A | 0.0000 | |
| 86 | A | A | -0.0121 | |
| 87 | S | A | -0.2315 | |
| 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 | -0.4431 | |
| 94 | V | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -0.5874 | |
| 97 | L | A | -0.0188 | |
| 98 | E | A | -1.7286 | |
| 99 | G | A | -1.8154 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | -1.6866 | |
| 102 | N | A | -2.7201 | |
| 103 | K | A | -2.2526 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -2.4581 | |
| 106 | S | A | -1.4680 | |
| 107 | A | A | -0.6824 | |
| 108 | L | A | -0.4333 | |
| 109 | L | A | 0.1782 | |
| 110 | S | A | -0.2456 | |
| 111 | T | A | -0.6606 | |
| 112 | N | A | -1.2314 | |
| 113 | K | A | -1.8265 | |
| 114 | A | A | -0.0535 | |
| 115 | V | A | 1.2819 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | -0.0841 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | -0.8020 | |
| 120 | N | A | -1.5244 | |
| 121 | G | A | -0.8983 | |
| 122 | V | A | 0.1257 | |
| 123 | S | A | 0.4454 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | K | A | -1.1215 | |
| 129 | V | A | -0.2941 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -0.5044 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -1.2448 | |
| 134 | N | A | -1.2679 | |
| 135 | Y | A | -0.6368 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -2.0471 | |
| 138 | K | A | -2.4780 | |
| 139 | Q | A | -1.9000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.0673 | |
| 142 | P | A | -1.5974 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -2.5755 | |
| 146 | K | A | -2.6080 | |
| 147 | Q | A | -2.5231 | |
| 148 | S | A | -1.7311 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -0.6598 | |
| 151 | I | A | 0.0450 | |
| 152 | S | A | -0.1237 | |
| 153 | N | A | -0.3517 | |
| 154 | I | A | 0.0458 | |
| 155 | E | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -1.1194 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.8479 | |
| 162 | Q | A | -0.7796 | |
| 163 | K | A | -0.8257 | |
| 164 | N | A | 0.0000 | |
| 165 | N | A | -0.8122 | |
| 166 | R | A | -0.6150 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | -0.4609 | |
| 169 | E | A | -0.6604 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.5491 | |
| 173 | E | A | -0.4948 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.2791 | |
| 177 | N | A | -0.3749 | |
| 178 | A | A | -0.2137 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.2810 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.0986 | |
| 183 | P | A | -0.1054 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | 0.0554 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | 0.1261 | |
| 191 | N | A | 0.0000 | |
| 192 | S | A | 0.0354 | |
| 193 | E | A | -0.3694 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | 0.6149 | |
| 196 | S | A | -0.3906 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -1.2696 | |
| 200 | D | A | -0.4274 | |
| 201 | M | A | 0.2530 | |
| 202 | P | A | -0.0915 | |
| 203 | I | A | -0.7806 | |
| 204 | T | A | -1.3106 | |
| 205 | N | A | -2.6058 | |
| 206 | D | A | -2.8724 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.3008 | |
| 209 | K | A | -2.8365 | |
| 210 | L | A | -1.5556 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -0.6741 | |
| 213 | N | A | -1.0849 | |
| 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 | -0.5386 | |
| 221 | Q | A | -0.6047 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.0257 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | -0.3344 | |
| 229 | I | A | 0.0000 | |
| 230 | K | A | -1.8731 | |
| 231 | E | A | -2.4469 | |
| 232 | E | A | -2.0078 | |
| 233 | V | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 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 | 0.2825 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | 0.0949 | |
| 245 | V | A | 0.2651 | |
| 246 | I | A | -0.3376 | |
| 247 | D | A | -1.3732 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.5404 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | 0.0159 | |
| 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 | -0.0024 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | -0.2669 | |
| 261 | T | A | -0.3372 | |
| 262 | N | A | 0.0000 | |
| 263 | T | A | -1.0861 | |
| 264 | K | A | -1.2299 | |
| 265 | E | A | -1.8431 | |
| 266 | G | A | -1.1318 | |
| 267 | S | A | -0.7660 | |
| 268 | N | A | -0.5384 | |
| 269 | I | A | 0.2940 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | 0.0819 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | -0.6492 | |
| 275 | D | A | -1.0896 | |
| 276 | R | A | -1.3220 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.5714 | |
| 282 | N | A | -0.5203 | |
| 283 | A | A | -0.4430 | |
| 284 | G | A | -0.6015 | |
| 285 | S | A | -0.5399 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.3021 | |
| 291 | Q | A | -2.0995 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | -2.2906 | |
| 294 | T | A | -1.2918 | |
| 295 | C | A | -0.8139 | |
| 296 | K | A | -0.7856 | |
| 297 | V | A | -0.6138 | |
| 298 | Q | A | -0.8061 | |
| 299 | S | A | -1.1064 | |
| 300 | N | A | -1.3627 | |
| 301 | R | A | -1.2904 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | -0.4726 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | 0.1685 | |
| 308 | N | A | -0.6755 | |
| 309 | S | A | -0.1228 | |
| 310 | L | A | 0.0849 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.6791 | |
| 314 | S | A | -0.5488 | |
| 315 | E | A | 0.0000 | |
| 316 | V | A | -0.0263 | |
| 317 | N | A | -0.2633 | |
| 318 | L | A | -0.0961 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | -0.5679 | |
| 321 | V | A | -0.6180 | |
| 322 | D | A | -1.3287 | |
| 323 | I | A | 0.0000 | |
| 324 | F | A | 0.2969 | |
| 325 | N | A | -0.8772 | |
| 326 | P | A | -0.7094 | |
| 327 | K | A | -1.3469 | |
| 328 | Y | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.1478 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.4422 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.2228 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -0.1961 | |
| 338 | D | A | 0.0000 | |
| 339 | V | A | 0.1868 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | -0.2097 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | 0.3662 | |
| 344 | I | A | 0.0000 | |
| 345 | T | A | 0.0000 | |
| 346 | S | A | 0.0000 | |
| 347 | L | A | -0.9222 | |
| 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 | 0.0000 | |
| 355 | G | A | -1.4560 | |
| 356 | K | A | -1.5408 | |
| 357 | T | A | 0.0000 | |
| 358 | K | A | -2.2286 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | -0.1869 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.1296 | |
| 363 | N | A | -1.3217 | |
| 364 | K | A | -1.9811 | |
| 365 | N | A | -2.8067 | |
| 366 | R | A | -2.6899 | |
| 367 | G | A | -1.0044 | |
| 368 | I | A | 1.0243 | |
| 369 | I | A | 2.0004 | |
| 370 | K | A | 0.5207 | |
| 371 | T | A | 0.1069 | |
| 372 | F | A | -0.3313 | |
| 373 | S | A | -1.0381 | |
| 374 | N | A | -0.7886 | |
| 375 | G | A | -0.6767 | |
| 376 | C | A | -0.2798 | |
| 377 | D | A | -0.3833 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | -0.0931 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | -1.4062 | |
| 382 | K | A | -2.4900 | |
| 383 | G | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | T | A | -0.1726 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.3242 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.8610 | |
| 391 | N | A | 0.0000 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.2884 | |
| 394 | Y | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -1.7306 | |
| 399 | Q | A | -1.5125 | |
| 400 | E | A | 0.0000 | |
| 401 | G | A | -1.7312 | |
| 402 | K | A | -1.7129 | |
| 403 | S | A | -0.2928 | |
| 404 | L | A | 0.7729 | |
| 405 | Y | A | 1.1420 | |
| 406 | V | A | -0.1368 | |
| 407 | K | A | -1.7888 | |
| 408 | G | A | -2.0648 | |
| 409 | E | A | -2.3118 | |
| 410 | P | A | 0.0000 | |
| 411 | I | A | 0.0000 | |
| 412 | I | A | -0.7503 | |
| 413 | N | A | -1.5018 | |
| 414 | F | A | 0.0000 | |
| 415 | Y | A | -0.3457 | |
| 416 | D | A | -1.5091 | |
| 417 | P | A | -0.7335 | |
| 418 | L | A | -0.2038 | |
| 419 | V | A | 1.4319 | |
| 420 | F | A | 0.0000 | |
| 421 | P | A | 0.2299 | |
| 422 | S | A | 0.0000 | |
| 423 | D | A | 0.1008 | |
| 424 | E | A | 0.0000 | |
| 425 | F | A | 0.8862 | |
| 426 | D | A | 0.0597 | |
| 427 | A | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | -0.6080 | |
| 431 | Q | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | N | A | -0.9125 | |
| 434 | E | A | -1.5797 | |
| 435 | K | A | -0.9591 | |
| 436 | I | A | 0.0000 | |
| 437 | N | A | -1.2066 | |
| 438 | Q | A | -1.0097 | |
| 439 | S | A | -0.0326 | |
| 440 | L | A | 0.6171 | |
| 441 | A | A | -0.3372 | |
| 442 | W | A | -0.0140 | mutated: FW442A |
| 443 | I | A | 0.0833 | |
| 444 | R | A | -1.9298 | |
| 445 | K | A | -1.2477 | |
| 446 | Y | A | -0.8502 | mutated: SY446A |
| 447 | D | A | -2.6445 | |
| 448 | E | A | -2.6382 | |
| 449 | L | A | -0.7089 | |
| 450 | L | A | -1.1223 | |
| 451 | H | A | -1.9105 | |
| 1 | Q | B | -2.2645 | |
| 2 | N | B | -2.4938 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.4422 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | -0.3043 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | -0.2431 | |
| 9 | Q | B | 0.0000 | |
| 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 | -1.3216 | |
| 18 | G | B | -0.8582 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.0258 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.2976 | |
| 26 | G | B | 0.1469 | |
| 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 | -1.9419 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | -1.9626 | |
| 38 | N | B | -1.7781 | |
| 39 | I | B | -1.5295 | |
| 40 | K | B | -2.4369 | |
| 41 | E | B | 0.0000 | |
| 42 | N | B | -2.8739 | |
| 43 | K | B | -3.1425 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -2.5425 | |
| 46 | G | B | -1.7669 | |
| 47 | T | B | -1.2793 | |
| 48 | D | B | -1.4707 | |
| 49 | A | B | -1.2148 | |
| 50 | K | B | -1.2393 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -1.7003 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -2.2056 | |
| 56 | Q | B | -1.7350 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -2.4938 | |
| 60 | K | B | -1.4805 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -1.6394 | |
| 63 | N | B | -1.0481 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | -0.6017 | |
| 66 | T | B | -0.2304 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -0.7539 | |
| 70 | L | B | -0.3411 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | 0.0000 | |
| 73 | Q | B | -1.3350 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.3963 | |
| 76 | P | B | 0.0000 | |
| 77 | A | B | -0.1794 | |
| 78 | A | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | 0.0000 | |
| 81 | G | B | 0.0000 | |
| 82 | G | B | -0.4153 | |
| 83 | S | B | -0.2580 | |
| 84 | A | B | 0.0404 | |
| 85 | I | B | 0.4237 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | -0.0423 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | A | B | -0.2071 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | 0.0000 | |
| 93 | K | B | 0.0000 | |
| 94 | V | B | -0.3817 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -0.9500 | |
| 97 | L | B | 0.0214 | |
| 98 | E | B | -1.6669 | |
| 99 | G | B | -1.2286 | |
| 100 | E | B | -1.5699 | |
| 101 | V | B | 0.0000 | |
| 102 | N | B | -1.6145 | |
| 103 | K | B | -1.2334 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -0.7374 | |
| 106 | S | B | -0.3656 | |
| 107 | A | B | 0.4601 | |
| 108 | L | B | 1.1479 | |
| 109 | L | B | -0.0006 | |
| 110 | S | B | -0.4788 | |
| 111 | T | B | -0.2559 | |
| 112 | N | B | -0.2666 | |
| 113 | K | B | -0.6897 | |
| 114 | A | B | 0.5915 | |
| 115 | V | B | 1.6497 | |
| 116 | V | B | 0.8278 | |
| 117 | S | B | 0.1160 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.8479 | |
| 120 | N | B | -1.8978 | |
| 121 | G | B | -1.0936 | |
| 122 | V | B | -0.3447 | |
| 123 | S | B | 0.2168 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | 0.0000 | |
| 128 | K | B | -0.9203 | |
| 129 | V | B | -0.4639 | |
| 130 | L | B | 0.0000 | |
| 131 | D | B | -1.8755 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -2.9068 | |
| 134 | N | B | -2.8568 | |
| 135 | Y | B | -1.8736 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -2.6994 | |
| 138 | K | B | -2.7120 | |
| 139 | Q | B | -1.6796 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -0.7468 | |
| 142 | P | B | -1.0731 | |
| 143 | I | B | 0.0000 | |
| 144 | V | B | -1.5974 | |
| 145 | N | B | -1.9582 | |
| 146 | K | B | -2.6691 | |
| 147 | Q | B | -1.9778 | |
| 148 | S | B | 0.0000 | |
| 149 | C | B | -0.9099 | |
| 150 | S | B | -0.5237 | |
| 151 | I | B | -0.2725 | |
| 152 | S | B | 0.0000 | |
| 153 | N | B | -1.1232 | |
| 154 | I | B | -0.4194 | |
| 155 | E | B | 0.0000 | |
| 156 | T | B | -0.3535 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | 0.0000 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.6864 | |
| 162 | Q | B | -0.7249 | |
| 163 | K | B | -0.7279 | |
| 164 | N | B | 0.0000 | |
| 165 | N | B | -0.9306 | |
| 166 | R | B | -0.7457 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | -0.4615 | |
| 169 | E | B | -0.5778 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.7675 | |
| 173 | E | B | 0.0000 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | -0.2192 | |
| 177 | N | B | -0.5088 | |
| 178 | A | B | -0.2576 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.1185 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | -0.2466 | |
| 183 | P | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | 0.1948 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | -0.0924 | |
| 191 | N | B | 0.0000 | |
| 192 | S | B | -0.3570 | |
| 193 | E | B | -0.4429 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | -0.5380 | |
| 196 | S | B | -0.7533 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -1.9574 | |
| 200 | D | B | -1.0635 | |
| 201 | M | B | 0.0000 | |
| 202 | P | B | -0.6196 | |
| 203 | I | B | -0.9932 | |
| 204 | T | B | -1.6163 | |
| 205 | N | B | -2.9783 | |
| 206 | D | B | -3.1093 | |
| 207 | Q | B | -2.0177 | |
| 208 | K | B | -2.5821 | |
| 209 | K | B | -3.0089 | |
| 210 | L | B | -1.5032 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -1.3374 | |
| 213 | N | B | -1.0451 | |
| 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 | -0.8464 | |
| 221 | Q | B | -0.9265 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | -0.1277 | |
| 224 | S | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | M | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | I | B | -0.5611 | |
| 229 | I | B | -0.8309 | |
| 230 | K | B | -1.8864 | |
| 231 | E | B | -2.6593 | |
| 232 | E | B | -2.5299 | |
| 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 | 0.1535 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | 0.3377 | |
| 245 | V | B | 0.5043 | |
| 246 | I | B | 0.3238 | |
| 247 | D | B | -1.0678 | |
| 248 | T | B | 0.0000 | |
| 249 | P | B | -0.5652 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.3649 | |
| 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 | 0.0000 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | -0.5511 | |
| 260 | T | B | -0.5259 | |
| 261 | T | B | 0.0000 | |
| 262 | N | B | -2.2992 | |
| 263 | T | B | -1.9498 | |
| 264 | K | B | -2.5677 | |
| 265 | E | B | 0.0000 | |
| 266 | G | B | -1.1655 | |
| 267 | S | B | -1.1234 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | 0.0000 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | -0.1554 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | -0.9795 | |
| 275 | D | B | -1.7781 | |
| 276 | R | B | -1.7835 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -0.9121 | |
| 282 | N | B | -0.5181 | |
| 283 | A | B | -0.4441 | |
| 284 | G | B | -0.5599 | |
| 285 | S | B | -0.6737 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.2270 | |
| 291 | Q | B | -2.0628 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -1.9811 | |
| 294 | T | B | -1.0103 | |
| 295 | C | B | 0.0000 | |
| 296 | K | B | -0.6499 | |
| 297 | V | B | -0.2603 | |
| 298 | Q | B | 0.0000 | |
| 299 | S | B | -0.5483 | |
| 300 | N | B | -0.8586 | |
| 301 | R | B | -0.7052 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.0107 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | 1.0168 | |
| 308 | N | B | 0.0365 | |
| 309 | S | B | 0.1538 | |
| 310 | L | B | 0.3140 | |
| 311 | T | B | -0.1237 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.3941 | |
| 314 | S | B | -0.2943 | |
| 315 | E | B | 0.0000 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | 0.0854 | |
| 318 | L | B | 0.8087 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | -0.0996 | |
| 321 | V | B | 0.6350 | |
| 322 | D | B | 0.0000 | |
| 323 | I | B | 0.0000 | |
| 324 | F | B | 1.7430 | |
| 325 | N | B | 0.0000 | |
| 326 | P | B | -0.1916 | |
| 327 | K | B | -1.6084 | |
| 328 | Y | B | -0.7030 | |
| 329 | D | B | 0.0000 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -0.0577 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | -0.0512 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | 0.0000 | |
| 338 | D | B | 0.0000 | |
| 339 | V | B | -0.0120 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | -0.0972 | |
| 342 | S | B | 0.2174 | |
| 343 | V | B | 0.1722 | |
| 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 | -2.1681 | |
| 356 | K | B | -2.7427 | |
| 357 | T | B | -1.8784 | |
| 358 | K | B | -2.3808 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | -0.1931 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | -0.1683 | |
| 363 | N | B | 0.0000 | |
| 364 | K | B | -2.8219 | |
| 365 | N | B | -3.5362 | |
| 366 | R | B | -3.3137 | |
| 367 | G | B | -1.6361 | |
| 368 | I | B | 0.1881 | |
| 369 | I | B | 1.3882 | |
| 370 | K | B | 0.3146 | |
| 371 | T | B | -0.1706 | |
| 372 | F | B | -0.2404 | |
| 373 | S | B | -1.1302 | |
| 374 | N | B | -1.8343 | |
| 375 | G | B | -1.1755 | |
| 376 | C | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.3051 | |
| 380 | S | B | -0.7517 | |
| 381 | N | B | -2.1832 | |
| 382 | K | B | -3.2129 | |
| 383 | G | B | 0.0000 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | -1.4440 | |
| 386 | T | B | -0.1184 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.3064 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.7839 | |
| 391 | N | B | -0.4074 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.3704 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.2350 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | 0.0000 | |
| 399 | Q | B | 0.0000 | |
| 400 | E | B | -2.2300 | |
| 401 | G | B | 0.0000 | |
| 402 | K | B | -2.3295 | |
| 403 | S | B | -0.7399 | |
| 404 | L | B | 0.9328 | |
| 405 | Y | B | 0.8479 | |
| 406 | V | B | 0.1748 | |
| 407 | K | B | -1.5530 | |
| 408 | G | B | -1.4999 | |
| 409 | E | B | -2.2477 | |
| 410 | P | B | -0.8850 | |
| 411 | I | B | 0.3131 | |
| 412 | I | B | -0.1745 | |
| 413 | N | B | -0.9847 | |
| 414 | F | B | 0.0000 | |
| 415 | Y | B | -0.2353 | |
| 416 | D | B | -1.3262 | |
| 417 | P | B | -0.3880 | |
| 418 | L | B | 0.7110 | |
| 419 | V | B | 0.3739 | |
| 420 | F | B | 0.0000 | |
| 421 | P | B | -0.3601 | |
| 422 | S | B | 0.0000 | |
| 423 | D | B | -0.2678 | |
| 424 | E | B | -0.1521 | |
| 425 | F | B | 0.2878 | |
| 426 | D | B | -0.2572 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | 0.1481 | |
| 430 | S | B | -0.4717 | |
| 431 | Q | B | -1.1556 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -1.6533 | |
| 434 | E | B | -2.2804 | |
| 435 | K | B | -1.7386 | |
| 436 | I | B | 0.0000 | |
| 437 | N | B | -2.2442 | |
| 438 | Q | B | -2.0531 | |
| 439 | S | B | -0.9311 | |
| 440 | L | B | -0.7622 | |
| 441 | A | B | -1.2375 | |
| 442 | W | B | -0.2457 | mutated: FW442B |
| 443 | I | B | -0.7922 | |
| 444 | R | B | -2.4942 | |
| 445 | K | B | -1.7204 | |
| 446 | Y | B | -1.0189 | mutated: SY446B |
| 447 | D | B | -2.3660 | |
| 448 | E | B | -2.6003 | |
| 449 | L | B | -0.6719 | |
| 450 | L | B | -0.2416 | |
| 451 | H | B | -1.2145 | |
| 1 | Q | C | -1.6343 | |
| 2 | N | C | -2.2995 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -1.3845 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | -0.2339 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | 0.0000 | |
| 9 | Q | C | -0.9884 | |
| 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 | -1.1346 | |
| 18 | G | C | -1.0529 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.3079 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | 0.0997 | |
| 26 | G | C | 0.0882 | |
| 27 | W | C | 0.1839 | |
| 28 | Y | C | 0.3117 | |
| 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 | -1.1243 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | -2.1666 | |
| 38 | N | C | -2.8227 | |
| 39 | I | C | 0.0000 | |
| 40 | K | C | -3.7620 | |
| 41 | E | C | -4.4055 | |
| 42 | N | C | -4.3383 | |
| 43 | K | C | -4.2423 | |
| 44 | C | C | 0.0000 | |
| 45 | N | C | -3.2086 | |
| 46 | G | C | -1.8623 | |
| 47 | T | C | -1.5290 | |
| 48 | D | C | -2.7128 | |
| 49 | A | C | -1.7190 | |
| 50 | K | C | 0.0000 | |
| 51 | V | C | -2.5681 | |
| 52 | K | C | -3.2161 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -3.6957 | |
| 56 | Q | C | -2.4544 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -2.2333 | |
| 60 | K | C | 0.0000 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -1.7232 | |
| 63 | N | C | -0.7622 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | -0.7705 | |
| 66 | T | C | -0.5121 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -1.4065 | |
| 70 | L | C | -0.7192 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.4829 | |
| 73 | Q | C | -1.2789 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | -0.0961 | |
| 76 | P | C | -0.2049 | |
| 77 | A | C | -0.3633 | |
| 78 | A | C | -0.1741 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | 0.0000 | |
| 81 | G | C | 0.0000 | |
| 82 | G | C | -0.8707 | |
| 83 | S | C | -0.3214 | |
| 84 | A | C | 0.0631 | |
| 85 | I | C | 0.0000 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.0000 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.4186 | |
| 90 | A | C | 0.0000 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -0.3147 | |
| 94 | V | C | -0.1945 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -0.9272 | |
| 97 | L | C | 0.1412 | |
| 98 | E | C | -1.7628 | |
| 99 | G | C | -1.8930 | |
| 100 | E | C | 0.0000 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.9101 | |
| 103 | K | C | -2.8672 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.7552 | |
| 106 | S | C | -1.2441 | |
| 107 | A | C | -0.5029 | |
| 108 | L | C | 0.1736 | |
| 109 | L | C | 0.9627 | |
| 110 | S | C | -0.0409 | |
| 111 | T | C | -0.0566 | |
| 112 | N | C | -0.3873 | |
| 113 | K | C | -0.9715 | |
| 114 | A | C | 0.3726 | |
| 115 | V | C | 1.4431 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | 0.2365 | |
| 118 | L | C | 0.0000 | |
| 119 | S | C | -0.5877 | |
| 120 | N | C | -1.1815 | |
| 121 | G | C | -1.2944 | |
| 122 | V | C | -0.1892 | |
| 123 | S | C | 0.3710 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.5044 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | -0.2768 | |
| 128 | K | C | 0.0000 | |
| 129 | V | C | 0.2590 | |
| 130 | L | C | 0.0000 | |
| 131 | D | C | 0.0000 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -2.3045 | |
| 134 | N | C | -2.4928 | |
| 135 | Y | C | -1.3406 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -3.0696 | |
| 138 | K | C | -2.8914 | |
| 139 | Q | C | -1.4184 | |
| 140 | L | C | -1.0355 | |
| 141 | L | C | 0.0000 | |
| 142 | P | C | -2.6434 | |
| 143 | I | C | 0.0000 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -3.4988 | |
| 146 | K | C | -3.0703 | |
| 147 | Q | C | -1.7533 | |
| 148 | S | C | -1.2285 | |
| 149 | C | C | 0.0000 | |
| 150 | S | C | -0.1616 | |
| 151 | I | C | 1.0276 | |
| 152 | S | C | 0.0000 | |
| 153 | N | C | -0.6625 | |
| 154 | I | C | -0.2847 | |
| 155 | E | C | 0.0000 | |
| 156 | T | C | -0.2575 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | -0.5180 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | 0.0000 | |
| 162 | Q | C | -0.7744 | |
| 163 | K | C | -0.6890 | |
| 164 | N | C | 0.0000 | |
| 165 | N | C | -0.9208 | |
| 166 | R | C | -0.6055 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.4566 | |
| 169 | E | C | -0.7336 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.6506 | |
| 173 | E | C | -0.3406 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | 0.1293 | |
| 177 | N | C | -0.1746 | |
| 178 | A | C | 0.0000 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.4784 | |
| 181 | T | C | 0.1767 | |
| 182 | T | C | -0.0269 | |
| 183 | P | C | -0.1347 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | 0.0000 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | 0.1390 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | 0.0622 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.1581 | |
| 193 | E | C | -0.3491 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.4021 | |
| 196 | S | C | -0.6012 | |
| 197 | L | C | -0.5660 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -2.1238 | |
| 200 | D | C | -1.5668 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.6133 | |
| 203 | I | C | -0.7598 | |
| 204 | T | C | -1.5451 | |
| 205 | N | C | -2.8882 | |
| 206 | D | C | -2.9926 | |
| 207 | Q | C | 0.0000 | |
| 208 | K | C | 0.0000 | |
| 209 | K | C | -2.8531 | |
| 210 | L | C | 0.0000 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -1.0208 | |
| 213 | N | C | -1.0251 | |
| 214 | N | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | Q | C | 0.0000 | |
| 217 | I | C | 0.0000 | |
| 218 | V | C | 0.0000 | |
| 219 | R | C | 0.0000 | |
| 220 | Q | C | -0.5932 | |
| 221 | Q | C | -0.3225 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.2446 | |
| 224 | S | C | 0.0000 | |
| 225 | I | C | 0.4389 | |
| 226 | M | C | 0.0000 | |
| 227 | S | C | 0.0000 | |
| 228 | I | C | -0.3053 | |
| 229 | I | C | -0.8084 | |
| 230 | K | C | -2.1038 | |
| 231 | E | C | -2.8080 | |
| 232 | E | C | -2.3688 | |
| 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 | 0.0000 | |
| 243 | Y | C | 0.0000 | |
| 244 | G | C | 0.1075 | |
| 245 | V | C | 0.3688 | |
| 246 | I | C | -0.0310 | |
| 247 | D | C | -1.3147 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.7079 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | -0.4280 | |
| 252 | K | C | 0.0000 | |
| 253 | L | C | 0.0000 | |
| 254 | H | C | 0.0000 | |
| 255 | T | C | 0.0000 | |
| 256 | S | C | 0.0000 | |
| 257 | P | C | -0.2201 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | -0.0653 | |
| 260 | T | C | -0.2466 | |
| 261 | T | C | 0.0000 | |
| 262 | N | C | -0.9561 | |
| 263 | T | C | 0.0000 | |
| 264 | K | C | -1.9770 | |
| 265 | E | C | -2.1328 | |
| 266 | G | C | -1.5920 | |
| 267 | S | C | -1.0950 | |
| 268 | N | C | 0.0000 | |
| 269 | I | C | 0.3444 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | -0.1944 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | 0.0000 | |
| 275 | D | C | -1.5954 | |
| 276 | R | C | 0.0000 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -1.1387 | |
| 282 | N | C | -1.0051 | |
| 283 | A | C | -0.5597 | |
| 284 | G | C | -0.7734 | |
| 285 | S | C | -0.8420 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | -0.0955 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.1504 | |
| 291 | Q | C | -1.8209 | |
| 292 | A | C | -1.4161 | |
| 293 | E | C | -1.4550 | |
| 294 | T | C | -0.9591 | |
| 295 | C | C | 0.0000 | |
| 296 | K | C | -0.8702 | |
| 297 | V | C | 0.0000 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.9832 | |
| 300 | N | C | -1.0832 | |
| 301 | R | C | -1.0782 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | 0.0000 | |
| 306 | T | C | 0.0000 | |
| 307 | M | C | -0.3014 | |
| 308 | N | C | -1.3477 | |
| 309 | S | C | 0.0000 | |
| 310 | L | C | 0.0791 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.7385 | |
| 314 | S | C | -0.9335 | |
| 315 | E | C | -0.6911 | |
| 316 | V | C | -0.5072 | |
| 317 | N | C | -1.3916 | |
| 318 | L | C | 0.0000 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | -0.8365 | |
| 321 | V | C | -0.3693 | |
| 322 | D | C | -1.1397 | |
| 323 | I | C | 0.0000 | |
| 324 | F | C | -0.5391 | |
| 325 | N | C | -1.3658 | |
| 326 | P | C | -1.0586 | |
| 327 | K | C | -1.4136 | |
| 328 | Y | C | -0.2951 | |
| 329 | D | C | 0.0000 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.5538 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | -0.0328 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | 0.0000 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | -0.1427 | |
| 338 | D | C | 0.0000 | |
| 339 | V | C | 0.2424 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | 0.0999 | |
| 342 | S | C | 0.3750 | |
| 343 | V | C | 0.0000 | |
| 344 | I | C | 0.6600 | |
| 345 | T | C | 0.0000 | |
| 346 | S | C | 0.0000 | |
| 347 | L | C | 0.0000 | |
| 348 | G | C | -0.3099 | |
| 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 | -0.9626 | |
| 355 | G | C | -1.2884 | |
| 356 | K | C | -1.3669 | |
| 357 | T | C | 0.0000 | |
| 358 | K | C | -2.1687 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | -0.4751 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | -0.6046 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -2.9010 | |
| 365 | N | C | -3.5216 | |
| 366 | R | C | -2.8829 | |
| 367 | G | C | -1.8894 | |
| 368 | I | C | -0.0088 | |
| 369 | I | C | 0.9827 | |
| 370 | K | C | -0.5347 | |
| 371 | T | C | -0.6812 | |
| 372 | F | C | -0.6969 | |
| 373 | S | C | -1.2557 | |
| 374 | N | C | -0.9990 | |
| 375 | G | C | -0.8535 | |
| 376 | C | C | -0.3992 | |
| 377 | D | C | -0.2593 | |
| 378 | Y | C | 0.0000 | |
| 379 | V | C | -0.0737 | |
| 380 | S | C | -1.0759 | |
| 381 | N | C | -1.6427 | |
| 382 | K | C | -2.5094 | |
| 383 | G | C | -2.2104 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | -1.9598 | |
| 386 | T | C | -0.4304 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.3094 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -0.9957 | |
| 391 | N | C | -0.5121 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.6177 | |
| 394 | Y | C | 0.6725 | |
| 395 | Y | C | 0.3471 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -1.4550 | |
| 399 | Q | C | 0.0000 | |
| 400 | E | C | -2.1407 | |
| 401 | G | C | -2.3475 | |
| 402 | K | C | -2.2478 | |
| 403 | S | C | -0.9135 | |
| 404 | L | C | 1.0103 | |
| 405 | Y | C | 0.8144 | |
| 406 | V | C | -0.1242 | |
| 407 | K | C | -1.9291 | |
| 408 | G | C | -1.7656 | |
| 409 | E | C | -1.9121 | |
| 410 | P | C | -1.1726 | |
| 411 | I | C | 0.0000 | |
| 412 | I | C | -0.0032 | |
| 413 | N | C | -0.8785 | |
| 414 | F | C | 0.1273 | |
| 415 | Y | C | 0.0000 | |
| 416 | D | C | -0.7999 | |
| 417 | P | C | 0.2461 | |
| 418 | L | C | 1.4050 | |
| 419 | V | C | 1.3637 | |
| 420 | F | C | 0.0000 | |
| 421 | P | C | 0.3187 | |
| 422 | S | C | 0.2872 | |
| 423 | D | C | -0.2820 | |
| 424 | E | C | -0.1418 | |
| 425 | F | C | 0.4822 | |
| 426 | D | C | 0.0549 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | -0.8783 | |
| 431 | Q | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -1.5167 | |
| 434 | E | C | -2.1230 | |
| 435 | K | C | -1.7742 | |
| 436 | I | C | 0.0000 | |
| 437 | N | C | -1.9301 | |
| 438 | Q | C | -1.6380 | |
| 439 | S | C | -0.3070 | |
| 440 | L | C | 0.9204 | |
| 441 | A | C | -0.1369 | |
| 442 | W | C | 0.1972 | mutated: FW442C |
| 443 | I | C | 0.8390 | |
| 444 | R | C | -0.9574 | |
| 445 | K | C | -0.4277 | |
| 446 | Y | C | 0.0977 | mutated: SY446C |
| 447 | D | C | -1.0341 | |
| 448 | E | C | -1.1610 | |
| 449 | L | C | 0.1682 | |
| 450 | L | C | -0.0617 | |
| 451 | H | C | -0.5635 |
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, -0.5117 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_10 | -0.5117 | View | CSV | PDB |
| model_1 | -0.53 | View | CSV | PDB |
| model_5 | -0.5364 | View | CSV | PDB |
| model_3 | -0.5449 | View | CSV | PDB |
| model_8 | -0.554 | View | CSV | PDB |
| model_4 | -0.5557 | View | CSV | PDB |
| CABS_average | -0.5593 | View | CSV | PDB |
| model_2 | -0.5595 | View | CSV | PDB |
| model_0 | -0.569 | View | CSV | PDB |
| model_6 | -0.5711 | View | CSV | PDB |
| model_7 | -0.5773 | View | CSV | PDB |
| model_11 | -0.5959 | View | CSV | PDB |
| model_9 | -0.606 | View | CSV | PDB |
| input | -0.6418 | 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