Project name: C09_A6_EF_A4_EF_GSG
Status: done
Started: 2026-07-21 11:03:31
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGSPATKPNGQGLYPDFAGSGVRLDDCGLTEARCKDISSALRVGSGSPATKPNGQGLYPDFAGSGELNLRSNELGDVGVHCVLQGLQGSGSPATKPNGQGLYPDFAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGSPATKPNGQGLYPDFAGSGELHLSDNLLGDAGLQLLCEGLLGSGSPATKPNGQGLYPDFAGSGKLQLEYCSLSAASCEPLASVLRAGSGSPATKPNGQGLYPDFAGSGELTVSNNDINEAGVRVLCQGLKDGSGSPATKPNGQGLYPDFAGSGALKLESCGVTSDNCRDLCGIVASGSGSPATKPNGQGLYPDFAGSGELALGSNKLGDVGMAELCPGLLGSGSERSKPNNPAQYPAFSVTNPGGSGTLWIWECGITAKGCGDLCRVLRAGSGSERSKPNNPAQYPAFSVTNPGGSGELSLAGNELGDEGARLLCETLLGSGSERSKPNNPAQYPAFSVTNPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGSERSKPNNPAQYPAFSVTNPGGSGELQISNNRLEDAGVRELCQGLGGSGSERSKPNNPAQYPAFSVTNPGGSGVLWLADCDVSDSSCSSLAATLLAGSGSERSKPNNPAQYPAFSVTNPGGSGELDLSNNCLGDAGILQLVESVRGSGSERSKPNNPAQYPAFSVTNPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGSERSKPNNPAQYPAFSVTNPGGSGRVIS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:11:15)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:55:13)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:55:20)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:55:29)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:55:36)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:55:44)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:55:52)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:56:00)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:56:08)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:56:16)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:56:23)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:56:31)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:56:39)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:56:46)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:57:01)
[INFO] Main: Simulation completed successfully. (02:57:08)
|
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
- -4.2778
- Maximal score value
- 2.8503
- Average score
- -0.6191
- Total score value
- -471.1126
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 | S | A | 0.7319 | |
| 2 | L | A | 1.9322 | |
| 3 | D | A | 1.0381 | |
| 4 | I | A | 2.0647 | |
| 5 | Q | A | 0.5735 | |
| 6 | S | A | -0.3108 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.4295 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.3903 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.5711 | |
| 13 | E | A | -3.2147 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.2032 | |
| 16 | D | A | -2.1728 | |
| 17 | A | A | -1.7322 | |
| 18 | R | A | -3.0974 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5329 | |
| 21 | E | A | -2.1906 | |
| 22 | L | A | -0.9805 | |
| 23 | L | A | -0.4902 | |
| 24 | P | A | -0.3401 | |
| 25 | L | A | -0.1395 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.5833 | |
| 28 | G | A | 0.0000 | |
| 29 | S | A | -0.5284 | |
| 30 | G | A | -0.8370 | |
| 31 | S | A | -0.2551 | |
| 32 | P | A | -0.2624 | |
| 33 | A | A | -0.2202 | |
| 34 | T | A | -0.8376 | |
| 35 | K | A | -1.1886 | |
| 36 | P | A | -1.3808 | |
| 37 | N | A | 0.0000 | |
| 38 | G | A | -1.2571 | |
| 39 | Q | A | -0.8238 | |
| 40 | G | A | 0.0592 | |
| 41 | L | A | 1.5191 | |
| 42 | Y | A | 0.7499 | |
| 43 | P | A | 0.4465 | |
| 44 | D | A | 0.0000 | |
| 45 | F | A | 1.2074 | |
| 46 | A | A | 0.0000 | |
| 47 | G | A | 0.4758 | |
| 48 | S | A | 0.0000 | |
| 49 | G | A | -0.9852 | |
| 50 | V | A | 0.0000 | |
| 51 | R | A | -2.2555 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | 0.0000 | |
| 54 | D | A | -2.2935 | |
| 55 | C | A | 0.0000 | |
| 56 | G | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | T | A | -1.2086 | |
| 59 | E | A | -1.6629 | |
| 60 | A | A | -1.2941 | |
| 61 | R | A | -1.6441 | |
| 62 | C | A | 0.0000 | |
| 63 | K | A | -1.9923 | |
| 64 | D | A | -1.3274 | |
| 65 | I | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | S | A | -1.0671 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | R | A | -1.7835 | |
| 71 | V | A | -0.3824 | |
| 72 | G | A | -0.3524 | |
| 73 | S | A | -0.3070 | |
| 74 | G | A | 0.0000 | |
| 75 | S | A | 0.0000 | |
| 76 | P | A | -0.3256 | |
| 77 | A | A | 0.0000 | |
| 78 | T | A | 0.0000 | |
| 79 | K | A | -2.1667 | |
| 80 | P | A | -1.5884 | |
| 81 | N | A | -1.6946 | |
| 82 | G | A | -1.3514 | |
| 83 | Q | A | -0.5443 | |
| 84 | G | A | 0.2977 | |
| 85 | L | A | 1.6105 | |
| 86 | Y | A | 0.0000 | |
| 87 | P | A | 0.2177 | |
| 88 | D | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | A | A | 0.0315 | |
| 91 | G | A | 0.0000 | |
| 92 | S | A | -0.5906 | |
| 93 | G | A | 0.0000 | |
| 94 | E | A | -1.5829 | |
| 95 | L | A | 0.0000 | |
| 96 | N | A | -1.5830 | |
| 97 | L | A | 0.0000 | |
| 98 | R | A | -2.3054 | |
| 99 | S | A | -2.1114 | |
| 100 | N | A | -2.4905 | |
| 101 | E | A | -2.3572 | |
| 102 | L | A | 0.0000 | |
| 103 | G | A | -1.1202 | |
| 104 | D | A | -0.7810 | |
| 105 | V | A | 0.6429 | |
| 106 | G | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | H | A | -0.6550 | |
| 109 | C | A | -0.6834 | |
| 110 | V | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | Q | A | -1.1493 | |
| 113 | G | A | 0.0000 | |
| 114 | L | A | -0.8930 | |
| 115 | Q | A | -1.1820 | |
| 116 | G | A | -1.1407 | |
| 117 | S | A | 0.0000 | |
| 118 | G | A | -0.9229 | |
| 119 | S | A | -0.4244 | |
| 120 | P | A | -0.1911 | |
| 121 | A | A | -0.2538 | |
| 122 | T | A | -0.6369 | |
| 123 | K | A | -0.9190 | |
| 124 | P | A | -0.9753 | |
| 125 | N | A | -1.8837 | |
| 126 | G | A | -1.7273 | |
| 127 | Q | A | 0.0000 | |
| 128 | G | A | -0.7491 | |
| 129 | L | A | 0.0393 | |
| 130 | Y | A | 0.0000 | |
| 131 | P | A | 0.0000 | |
| 132 | D | A | -0.6075 | |
| 133 | F | A | 0.0000 | |
| 134 | A | A | -0.1428 | |
| 135 | G | A | 0.0000 | |
| 136 | S | A | -0.7875 | |
| 137 | G | A | -1.1425 | |
| 138 | K | A | -1.4940 | |
| 139 | L | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -2.0078 | |
| 143 | N | A | -2.5588 | |
| 144 | C | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | T | A | -0.7907 | |
| 148 | G | A | -0.5583 | |
| 149 | A | A | 0.0000 | |
| 150 | G | A | -0.4997 | |
| 151 | C | A | 0.0000 | |
| 152 | G | A | -0.4800 | |
| 153 | V | A | -0.2883 | |
| 154 | L | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | S | A | -0.8834 | |
| 157 | T | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | R | A | -1.7819 | |
| 160 | T | A | -1.1432 | |
| 161 | G | A | -1.1700 | |
| 162 | S | A | -0.8306 | |
| 163 | G | A | -0.4718 | |
| 164 | S | A | -0.6180 | |
| 165 | P | A | -0.6713 | |
| 166 | A | A | -0.6525 | |
| 167 | T | A | -1.1085 | |
| 168 | K | A | -2.2464 | |
| 169 | P | A | -1.6092 | |
| 170 | N | A | -1.9929 | |
| 171 | G | A | -1.6356 | |
| 172 | Q | A | -1.4560 | |
| 173 | G | A | -0.1565 | |
| 174 | L | A | 1.1163 | |
| 175 | Y | A | 0.8300 | |
| 176 | P | A | 0.4283 | |
| 177 | D | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | A | A | 0.0438 | |
| 180 | G | A | -0.2792 | |
| 181 | S | A | -0.7640 | |
| 182 | G | A | -1.0872 | |
| 183 | E | A | -1.1316 | |
| 184 | L | A | 0.0000 | |
| 185 | H | A | -0.9725 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | D | A | -1.9343 | |
| 189 | N | A | -1.8241 | |
| 190 | L | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | G | A | -0.7342 | |
| 193 | D | A | -0.7254 | |
| 194 | A | A | -0.4112 | |
| 195 | G | A | -0.4762 | |
| 196 | L | A | 0.0000 | |
| 197 | Q | A | -1.3832 | |
| 198 | L | A | -0.1498 | |
| 199 | L | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | E | A | -1.3995 | |
| 202 | G | A | 0.0000 | |
| 203 | L | A | -0.3151 | |
| 204 | L | A | 0.1930 | |
| 205 | G | A | -0.7832 | |
| 206 | S | A | -0.9634 | |
| 207 | G | A | -0.7495 | |
| 208 | S | A | -0.5792 | |
| 209 | P | A | -0.2168 | |
| 210 | A | A | 0.0000 | |
| 211 | T | A | -0.4382 | |
| 212 | K | A | -0.8335 | |
| 213 | P | A | -1.0287 | |
| 214 | N | A | 0.0000 | |
| 215 | G | A | -1.1082 | |
| 216 | Q | A | -0.6815 | |
| 217 | G | A | -0.3796 | |
| 218 | L | A | 0.1312 | |
| 219 | Y | A | 0.0000 | |
| 220 | P | A | 0.0000 | |
| 221 | D | A | 0.0000 | |
| 222 | F | A | 0.6780 | |
| 223 | A | A | 0.3289 | |
| 224 | G | A | -0.3042 | |
| 225 | S | A | -0.7001 | |
| 226 | G | A | -0.9432 | |
| 227 | K | A | -0.9915 | |
| 228 | L | A | -0.6441 | |
| 229 | Q | A | -0.9460 | |
| 230 | L | A | 0.0000 | |
| 231 | E | A | -1.4072 | |
| 232 | Y | A | -0.5075 | |
| 233 | C | A | 0.0000 | |
| 234 | S | A | -0.9468 | |
| 235 | L | A | 0.0000 | |
| 236 | S | A | -1.2403 | |
| 237 | A | A | -1.4087 | |
| 238 | A | A | -0.8285 | |
| 239 | S | A | 0.0000 | |
| 240 | C | A | 0.0000 | |
| 241 | E | A | -2.3367 | |
| 242 | P | A | -1.6180 | |
| 243 | L | A | 0.0000 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | -1.4673 | |
| 246 | V | A | 0.0000 | |
| 247 | L | A | -1.5233 | |
| 248 | R | A | -2.7186 | |
| 249 | A | A | -1.0057 | |
| 250 | G | A | -1.0692 | |
| 251 | S | A | -1.3908 | |
| 252 | G | A | -0.7241 | |
| 253 | S | A | 0.0000 | |
| 254 | P | A | -0.1707 | |
| 255 | A | A | 0.0000 | |
| 256 | T | A | -0.1175 | |
| 257 | K | A | 0.0000 | |
| 258 | P | A | -0.6157 | |
| 259 | N | A | -0.6306 | |
| 260 | G | A | -0.8994 | |
| 261 | Q | A | 0.0000 | |
| 262 | G | A | 0.0509 | |
| 263 | L | A | 1.3554 | |
| 264 | Y | A | 0.0000 | |
| 265 | P | A | 0.6209 | |
| 266 | D | A | 0.0000 | |
| 267 | F | A | 0.4604 | |
| 268 | A | A | 0.3396 | |
| 269 | G | A | -0.1369 | |
| 270 | S | A | -0.5877 | |
| 271 | G | A | -0.7515 | |
| 272 | E | A | -1.0229 | |
| 273 | L | A | 0.0000 | |
| 274 | T | A | -0.8220 | |
| 275 | V | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | N | A | -1.5214 | |
| 278 | N | A | 0.0000 | |
| 279 | D | A | -2.2665 | |
| 280 | I | A | 0.0000 | |
| 281 | N | A | -2.0862 | |
| 282 | E | A | -2.5469 | |
| 283 | A | A | -1.8333 | |
| 284 | G | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | R | A | -2.9844 | |
| 287 | V | A | -1.9354 | |
| 288 | L | A | 0.0000 | |
| 289 | C | A | 0.0000 | |
| 290 | Q | A | -2.5597 | |
| 291 | G | A | 0.0000 | |
| 292 | L | A | -1.8182 | |
| 293 | K | A | -2.9686 | |
| 294 | D | A | -3.1136 | |
| 295 | G | A | 0.0000 | |
| 296 | S | A | -1.5336 | |
| 297 | G | A | -1.0219 | |
| 298 | S | A | -0.3801 | |
| 299 | P | A | -0.2350 | |
| 300 | A | A | -0.4403 | |
| 301 | T | A | 0.0000 | |
| 302 | K | A | -1.0339 | |
| 303 | P | A | -1.2357 | |
| 304 | N | A | -1.7175 | |
| 305 | G | A | -1.4489 | |
| 306 | Q | A | 0.0000 | |
| 307 | G | A | -0.4010 | |
| 308 | L | A | 0.6692 | |
| 309 | Y | A | 0.0000 | |
| 310 | P | A | 0.8153 | |
| 311 | D | A | 0.0000 | |
| 312 | F | A | 0.7366 | |
| 313 | A | A | -0.0250 | |
| 314 | G | A | -0.2017 | |
| 315 | S | A | -0.6562 | |
| 316 | G | A | -0.7368 | |
| 317 | A | A | -0.7964 | |
| 318 | L | A | 0.0000 | |
| 319 | K | A | -0.9951 | |
| 320 | L | A | 0.0000 | |
| 321 | E | A | -1.3212 | |
| 322 | S | A | -1.6407 | |
| 323 | C | A | 0.0000 | |
| 324 | G | A | -1.8345 | |
| 325 | V | A | 0.0000 | |
| 326 | T | A | -1.6592 | |
| 327 | S | A | -1.6508 | |
| 328 | D | A | -2.9113 | |
| 329 | N | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | R | A | -2.9058 | |
| 332 | D | A | -2.6865 | |
| 333 | L | A | 0.0000 | |
| 334 | C | A | -1.0450 | |
| 335 | G | A | -1.2455 | |
| 336 | I | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | A | A | -0.3254 | |
| 339 | S | A | -0.7664 | |
| 340 | G | A | -0.8708 | |
| 341 | S | A | -0.5466 | |
| 342 | G | A | -0.7727 | |
| 343 | S | A | -0.4543 | |
| 344 | P | A | -0.4206 | |
| 345 | A | A | 0.0441 | |
| 346 | T | A | -0.5997 | |
| 347 | K | A | -1.6377 | |
| 348 | P | A | -1.2809 | |
| 349 | N | A | -1.4513 | |
| 350 | G | A | -1.1942 | |
| 351 | Q | A | -0.8018 | |
| 352 | G | A | -0.1830 | |
| 353 | L | A | 0.4489 | |
| 354 | Y | A | 0.8502 | |
| 355 | P | A | -0.6257 | |
| 356 | D | A | -2.1887 | |
| 357 | F | A | -0.5871 | |
| 358 | A | A | -0.5403 | |
| 359 | G | A | -0.6988 | |
| 360 | S | A | -0.6738 | |
| 361 | G | A | -0.7524 | |
| 362 | E | A | -1.0139 | |
| 363 | L | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | G | A | 0.0000 | |
| 367 | S | A | -0.9159 | |
| 368 | N | A | -1.4549 | |
| 369 | K | A | -1.8412 | |
| 370 | L | A | 0.0000 | |
| 371 | G | A | -0.4746 | |
| 372 | D | A | -0.2436 | |
| 373 | V | A | 0.6593 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | -0.3271 | |
| 377 | E | A | -1.0224 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | P | A | -0.3584 | |
| 381 | G | A | -0.0897 | |
| 382 | L | A | 0.2701 | |
| 383 | L | A | 0.7242 | |
| 384 | G | A | 0.2446 | |
| 385 | S | A | -0.3703 | |
| 386 | G | A | -1.0529 | |
| 387 | S | A | -1.7825 | |
| 388 | E | A | -2.5395 | |
| 389 | R | A | -1.9920 | |
| 390 | S | A | -1.4233 | |
| 391 | K | A | 0.0000 | |
| 392 | P | A | 0.0000 | |
| 393 | N | A | -1.0084 | |
| 394 | N | A | -1.0600 | |
| 395 | P | A | -0.6708 | |
| 396 | A | A | -0.3796 | |
| 397 | Q | A | 0.0000 | |
| 398 | Y | A | 1.1922 | |
| 399 | P | A | 1.0370 | |
| 400 | A | A | 1.4729 | |
| 401 | F | A | 2.8503 | |
| 402 | S | A | 1.8567 | |
| 403 | V | A | 1.9363 | |
| 404 | T | A | 0.0000 | |
| 405 | N | A | -1.5941 | |
| 406 | P | A | -1.7453 | |
| 407 | G | A | -1.7241 | |
| 408 | G | A | -1.3066 | |
| 409 | S | A | -0.8878 | |
| 410 | G | A | -0.3973 | |
| 411 | T | A | -0.5359 | |
| 412 | L | A | 0.0000 | |
| 413 | W | A | 0.2336 | |
| 414 | I | A | 0.0000 | |
| 415 | W | A | 0.2909 | |
| 416 | E | A | -0.8499 | |
| 417 | C | A | 0.0000 | |
| 418 | G | A | -1.2308 | |
| 419 | I | A | 0.0000 | |
| 420 | T | A | -1.4543 | |
| 421 | A | A | -1.6066 | |
| 422 | K | A | -1.7875 | |
| 423 | G | A | 0.0000 | |
| 424 | C | A | 0.0000 | |
| 425 | G | A | -1.3576 | |
| 426 | D | A | -1.4377 | |
| 427 | L | A | 0.0000 | |
| 428 | C | A | 0.0000 | |
| 429 | R | A | -2.1985 | |
| 430 | V | A | -0.9025 | |
| 431 | L | A | -1.2717 | |
| 432 | R | A | -2.3318 | |
| 433 | A | A | -1.1558 | |
| 434 | G | A | -1.2648 | |
| 435 | S | A | -1.1162 | |
| 436 | G | A | -1.2889 | |
| 437 | S | A | 0.0000 | |
| 438 | E | A | -1.4065 | |
| 439 | R | A | 0.0000 | |
| 440 | S | A | -1.3021 | |
| 441 | K | A | 0.0000 | |
| 442 | P | A | -0.8186 | |
| 443 | N | A | -0.6054 | |
| 444 | N | A | -0.4950 | |
| 445 | P | A | -0.4115 | |
| 446 | A | A | -0.1281 | |
| 447 | Q | A | -0.0105 | |
| 448 | Y | A | 0.7536 | |
| 449 | P | A | 0.0000 | |
| 450 | A | A | 1.2187 | |
| 451 | F | A | 2.4890 | |
| 452 | S | A | 0.0000 | |
| 453 | V | A | 1.2765 | |
| 454 | T | A | 0.0000 | |
| 455 | N | A | 0.0000 | |
| 456 | P | A | 0.0000 | |
| 457 | G | A | -0.8367 | |
| 458 | G | A | -0.7698 | |
| 459 | S | A | -0.7116 | |
| 460 | G | A | -0.8749 | |
| 461 | E | A | -0.8678 | |
| 462 | L | A | 0.0000 | |
| 463 | S | A | 0.0000 | |
| 464 | L | A | 0.0000 | |
| 465 | A | A | 0.0000 | |
| 466 | G | A | -0.7722 | |
| 467 | N | A | -1.4410 | |
| 468 | E | A | -2.3684 | |
| 469 | L | A | 0.0000 | |
| 470 | G | A | -1.9867 | |
| 471 | D | A | -2.1469 | |
| 472 | E | A | -2.2401 | |
| 473 | G | A | 0.0000 | |
| 474 | A | A | 0.0000 | |
| 475 | R | A | -1.9205 | |
| 476 | L | A | -0.8669 | |
| 477 | L | A | 0.0000 | |
| 478 | C | A | 0.0000 | |
| 479 | E | A | -1.5753 | |
| 480 | T | A | 0.0000 | |
| 481 | L | A | -0.5997 | |
| 482 | L | A | -0.1159 | |
| 483 | G | A | -0.9581 | |
| 484 | S | A | -1.0289 | |
| 485 | G | A | -0.6748 | |
| 486 | S | A | -1.0257 | |
| 487 | E | A | -1.5180 | |
| 488 | R | A | -1.9834 | |
| 489 | S | A | 0.0000 | |
| 490 | K | A | -2.0261 | |
| 491 | P | A | -1.7246 | |
| 492 | N | A | -1.8309 | |
| 493 | N | A | -1.3904 | |
| 494 | P | A | -0.8510 | |
| 495 | A | A | -0.4673 | |
| 496 | Q | A | 0.0818 | |
| 497 | Y | A | 0.4562 | |
| 498 | P | A | 0.8198 | |
| 499 | A | A | 1.0305 | |
| 500 | F | A | 1.8213 | |
| 501 | S | A | 0.0000 | |
| 502 | V | A | 1.0932 | |
| 503 | T | A | 0.1359 | |
| 504 | N | A | -0.5697 | |
| 505 | P | A | 0.0000 | |
| 506 | G | A | -0.7579 | |
| 507 | G | A | -0.8902 | |
| 508 | S | A | -0.8452 | |
| 509 | G | A | -0.8825 | |
| 510 | S | A | -0.5710 | |
| 511 | L | A | 0.0000 | |
| 512 | W | A | 0.0782 | |
| 513 | V | A | 0.0000 | |
| 514 | K | A | -0.7057 | |
| 515 | S | A | -1.4299 | |
| 516 | C | A | -1.6062 | |
| 517 | S | A | -1.8168 | |
| 518 | F | A | 0.0000 | |
| 519 | T | A | -1.0994 | |
| 520 | A | A | -1.1681 | |
| 521 | A | A | -0.6584 | |
| 522 | C | A | 0.0000 | |
| 523 | C | A | 0.0000 | |
| 524 | S | A | -0.9200 | |
| 525 | H | A | -0.8372 | |
| 526 | F | A | 0.0000 | |
| 527 | S | A | -0.8868 | |
| 528 | S | A | -0.6587 | |
| 529 | V | A | 0.0000 | |
| 530 | L | A | 0.0000 | |
| 531 | A | A | -0.7188 | |
| 532 | Q | A | -0.8826 | |
| 533 | G | A | -1.0157 | |
| 534 | S | A | -1.0977 | |
| 535 | G | A | -1.4145 | |
| 536 | S | A | 0.0000 | |
| 537 | E | A | 0.0000 | |
| 538 | R | A | -1.2710 | |
| 539 | S | A | -1.3625 | |
| 540 | K | A | -1.1646 | |
| 541 | P | A | -1.0604 | |
| 542 | N | A | -1.2290 | |
| 543 | N | A | -0.9248 | |
| 544 | P | A | -0.9122 | |
| 545 | A | A | -0.8594 | |
| 546 | Q | A | -0.5852 | |
| 547 | Y | A | 0.0000 | |
| 548 | P | A | 0.7943 | |
| 549 | A | A | 1.4106 | |
| 550 | F | A | 2.6218 | |
| 551 | S | A | 0.0000 | |
| 552 | V | A | 0.8808 | |
| 553 | T | A | 0.0000 | |
| 554 | N | A | -0.7675 | |
| 555 | P | A | 0.0000 | |
| 556 | G | A | -1.0071 | |
| 557 | G | A | -1.1220 | |
| 558 | S | A | -0.8700 | |
| 559 | G | A | -0.7591 | |
| 560 | E | A | -0.4958 | |
| 561 | L | A | 0.0314 | |
| 562 | Q | A | 0.0000 | |
| 563 | I | A | 0.0000 | |
| 564 | S | A | -1.1771 | |
| 565 | N | A | -2.1306 | |
| 566 | N | A | -2.3834 | |
| 567 | R | A | -2.9126 | |
| 568 | L | A | 0.0000 | |
| 569 | E | A | -2.4683 | |
| 570 | D | A | -2.0464 | |
| 571 | A | A | -1.3461 | |
| 572 | G | A | 0.0000 | |
| 573 | V | A | 0.0000 | |
| 574 | R | A | -2.7114 | |
| 575 | E | A | -2.0837 | |
| 576 | L | A | 0.0000 | |
| 577 | C | A | 0.0000 | |
| 578 | Q | A | -1.9921 | |
| 579 | G | A | 0.0000 | |
| 580 | L | A | -0.6110 | |
| 581 | G | A | -0.7777 | |
| 582 | G | A | -0.9568 | |
| 583 | S | A | -1.2214 | |
| 584 | G | A | -1.4304 | |
| 585 | S | A | -1.7313 | |
| 586 | E | A | -2.5003 | |
| 587 | R | A | -1.6574 | |
| 588 | S | A | -1.3764 | |
| 589 | K | A | -1.3735 | |
| 590 | P | A | -1.0370 | |
| 591 | N | A | -0.9662 | |
| 592 | N | A | -1.5417 | |
| 593 | P | A | -1.1578 | |
| 594 | A | A | -0.5070 | |
| 595 | Q | A | -0.4900 | |
| 596 | Y | A | 0.8544 | |
| 597 | P | A | 0.9746 | |
| 598 | A | A | 0.0000 | |
| 599 | F | A | 2.4798 | |
| 600 | S | A | 1.7513 | |
| 601 | V | A | 1.5166 | |
| 602 | T | A | 0.0000 | |
| 603 | N | A | -0.8826 | |
| 604 | P | A | -1.0928 | |
| 605 | G | A | -1.1724 | |
| 606 | G | A | -1.1247 | |
| 607 | S | A | -1.0228 | |
| 608 | G | A | -0.8652 | |
| 609 | V | A | -0.2888 | |
| 610 | L | A | 0.0000 | |
| 611 | W | A | 0.1569 | |
| 612 | L | A | 0.0000 | |
| 613 | A | A | -1.0332 | |
| 614 | D | A | -2.9458 | |
| 615 | C | A | 0.0000 | |
| 616 | D | A | -2.3288 | |
| 617 | V | A | 0.0000 | |
| 618 | S | A | -1.6267 | |
| 619 | D | A | -2.2018 | |
| 620 | S | A | -1.3870 | |
| 621 | S | A | 0.0000 | |
| 622 | C | A | 0.0000 | |
| 623 | S | A | -0.9228 | |
| 624 | S | A | -0.8438 | |
| 625 | L | A | -0.2507 | |
| 626 | A | A | 0.0000 | |
| 627 | A | A | 0.2444 | |
| 628 | T | A | 0.0000 | |
| 629 | L | A | 0.0000 | |
| 630 | L | A | 0.8673 | |
| 631 | A | A | 0.3441 | |
| 632 | G | A | -0.4630 | |
| 633 | S | A | -0.2716 | |
| 634 | G | A | -0.7155 | |
| 635 | S | A | -1.2132 | |
| 636 | E | A | -1.2014 | |
| 637 | R | A | -1.0238 | |
| 638 | S | A | -0.7287 | |
| 639 | K | A | -0.8909 | |
| 640 | P | A | -0.9148 | |
| 641 | N | A | -1.3054 | |
| 642 | N | A | -1.8707 | |
| 643 | P | A | -1.1389 | |
| 644 | A | A | -0.5073 | |
| 645 | Q | A | 0.0000 | |
| 646 | Y | A | 0.4154 | |
| 647 | P | A | 0.0000 | |
| 648 | A | A | 1.6777 | |
| 649 | F | A | 2.8249 | |
| 650 | S | A | 0.0000 | |
| 651 | V | A | 1.3881 | |
| 652 | T | A | 0.0000 | |
| 653 | N | A | -0.8202 | |
| 654 | P | A | 0.0000 | |
| 655 | G | A | -1.0954 | |
| 656 | G | A | -1.0909 | |
| 657 | S | A | -0.9202 | |
| 658 | G | A | -0.9372 | |
| 659 | E | A | -0.9278 | |
| 660 | L | A | -0.2025 | |
| 661 | D | A | 0.0287 | |
| 662 | L | A | 0.0000 | |
| 663 | S | A | 0.0000 | |
| 664 | N | A | -1.8609 | |
| 665 | N | A | -2.0346 | |
| 666 | C | A | -0.7493 | |
| 667 | L | A | 0.0000 | |
| 668 | G | A | 0.0000 | |
| 669 | D | A | -0.6529 | |
| 670 | A | A | -0.6209 | |
| 671 | G | A | 0.0000 | |
| 672 | I | A | 0.0000 | |
| 673 | L | A | -0.3556 | |
| 674 | Q | A | -1.3429 | |
| 675 | L | A | 0.0000 | |
| 676 | V | A | 0.0000 | |
| 677 | E | A | -2.4824 | |
| 678 | S | A | -1.2976 | |
| 679 | V | A | 0.0000 | |
| 680 | R | A | -3.4794 | |
| 681 | G | A | -1.8265 | |
| 682 | S | A | 0.0000 | |
| 683 | G | A | -1.1656 | |
| 684 | S | A | -0.9531 | |
| 685 | E | A | 0.0000 | |
| 686 | R | A | -2.0919 | |
| 687 | S | A | 0.0000 | |
| 688 | K | A | -2.8724 | |
| 689 | P | A | -1.5738 | |
| 690 | N | A | 0.0000 | |
| 691 | N | A | 0.0000 | |
| 692 | P | A | -0.5384 | |
| 693 | A | A | -0.4344 | |
| 694 | Q | A | -0.2345 | |
| 695 | Y | A | 0.5393 | |
| 696 | P | A | 0.8361 | |
| 697 | A | A | 0.0000 | |
| 698 | F | A | 2.4525 | |
| 699 | S | A | 0.0000 | |
| 700 | V | A | 1.3267 | |
| 701 | T | A | 0.0000 | |
| 702 | N | A | -0.4799 | |
| 703 | P | A | 0.0000 | |
| 704 | G | A | -0.7736 | |
| 705 | G | A | -0.7657 | |
| 706 | S | A | -0.8902 | |
| 707 | G | A | -0.8714 | |
| 708 | Q | A | -0.8644 | |
| 709 | L | A | 0.0000 | |
| 710 | V | A | 0.5910 | |
| 711 | L | A | 0.0000 | |
| 712 | Y | A | -0.0512 | |
| 713 | D | A | -1.2887 | |
| 714 | I | A | -0.4756 | |
| 715 | Y | A | 0.2161 | |
| 716 | W | A | 0.0000 | |
| 717 | S | A | -1.9060 | |
| 718 | E | A | -3.3068 | |
| 719 | E | A | -3.9677 | |
| 720 | M | A | -2.6457 | |
| 721 | E | A | -2.9903 | |
| 722 | D | A | -4.2778 | |
| 723 | R | A | -3.5268 | |
| 724 | L | A | 0.0000 | |
| 725 | Q | A | -3.7093 | |
| 726 | A | A | -2.9240 | |
| 727 | L | A | 0.0000 | |
| 728 | E | A | -4.0613 | |
| 729 | K | A | -3.7743 | |
| 730 | D | A | -3.7897 | |
| 731 | G | A | -3.1150 | |
| 732 | S | A | 0.0000 | |
| 733 | G | A | -2.4104 | |
| 734 | S | A | -2.2322 | |
| 735 | E | A | -3.2459 | |
| 736 | R | A | -2.7409 | |
| 737 | S | A | -2.1994 | |
| 738 | K | A | -2.1258 | |
| 739 | P | A | -1.6291 | |
| 740 | N | A | -2.1769 | |
| 741 | N | A | -1.8353 | |
| 742 | P | A | -0.8282 | |
| 743 | A | A | 0.0000 | |
| 744 | Q | A | 0.0000 | |
| 745 | Y | A | 1.6213 | |
| 746 | P | A | 0.9404 | |
| 747 | A | A | 1.1207 | |
| 748 | F | A | 2.0689 | |
| 749 | S | A | 1.3861 | |
| 750 | V | A | 1.0605 | |
| 751 | T | A | 0.0000 | |
| 752 | N | A | -0.6132 | |
| 753 | P | A | 0.0000 | |
| 754 | G | A | -0.9119 | |
| 755 | G | A | 0.0000 | |
| 756 | S | A | -1.3812 | |
| 757 | G | A | 0.0000 | |
| 758 | R | A | -1.7630 | |
| 759 | V | A | 0.0000 | |
| 760 | I | A | 0.3723 | |
| 761 | S | A | 0.1490 |
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, -0.6191 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_6 | -0.6191 | View | CSV | PDB |
| model_8 | -0.6339 | View | CSV | PDB |
| model_0 | -0.6375 | View | CSV | PDB |
| model_3 | -0.6401 | View | CSV | PDB |
| model_4 | -0.6409 | View | CSV | PDB |
| model_2 | -0.6552 | View | CSV | PDB |
| CABS_average | -0.6583 | View | CSV | PDB |
| model_5 | -0.6657 | View | CSV | PDB |
| model_1 | -0.6685 | View | CSV | PDB |
| model_9 | -0.6725 | View | CSV | PDB |
| model_11 | -0.6787 | View | CSV | PDB |
| model_7 | -0.6897 | View | CSV | PDB |
| model_10 | -0.6978 | View | CSV | PDB |
| input | -0.9099 | 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