Project name: C41_A4_EF_GSG
Status: done
Started: 2026-07-21 11:09:51
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGSERSKPNNPAQYPAFSVTNPGGSGVRLDDCGLTEARCKDISSALRVGSGSERSKPNNPAQYPAFSVTNPGGSGELNLRSNELGDVGVHCVLQGLQGSGSERSKPNNPAQYPAFSVTNPGGSGKLSLQNCCLTGAGCGVLSSTLRTGSGSERSKPNNPAQYPAFSVTNPGGSGELHLSDNLLGDAGLQLLCEGLLGSGSERSKPNNPAQYPAFSVTNPGGSGKLQLEYCSLSAASCEPLASVLRAGSGSERSKPNNPAQYPAFSVTNPGGSGELTVSNNDINEAGVRVLCQGLKDGSGSERSKPNNPAQYPAFSVTNPGGSGALKLESCGVTSDNCRDLCGIVASGSGSERSKPNNPAQYPAFSVTNPGGSGELALGSNKLGDVGMAELCPGLLGSGSERSKPNNPAQYPAFSVTNPGGSGTLWIWECGITAKGCGDLCRVLRAGSGSERSKPNNPAQYPAFSVTNPGGSGELSLAGNELGDEGARLLCETLLGSGSERSKPNNPAQYPAFSVTNPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGSERSKPNNPAQYPAFSVTNPGGSGELQISNNRLEDAGVRELCQGLGGSGSERSKPNNPAQYPAFSVTNPGGSGVLWLADCDVSDSSCSSLAATLLAGSGSERSKPNNPAQYPAFSVTNPGGSGELDLSNNCLGDAGILQLVESVRGSGSERSKPNNPAQYPAFSVTNPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGSERSKPNNPAQYPAFSVTNPGGSGRVIS
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 (00:07:07)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:15:05)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:15:11)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:15:16)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:15:22)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:15:28)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:15:33)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:15:39)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:15:45)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:15:50)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:15:56)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:16:02)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:16:08)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:16:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:16:26)
[INFO] Main: Simulation completed successfully. (02:16:32)
|
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
- -4.0986
- Maximal score value
- 2.4789
- Average score
- -0.665
- Total score value
- -532.6475
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 | 0.3749 | |
| 2 | L | A | 1.5256 | |
| 3 | D | A | 0.7222 | |
| 4 | I | A | 1.8526 | |
| 5 | Q | A | 0.4446 | |
| 6 | S | A | -0.6449 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.4457 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.7959 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -2.2629 | |
| 13 | E | A | -1.6045 | |
| 14 | L | A | -0.2495 | |
| 15 | S | A | -1.2419 | |
| 16 | D | A | -2.1631 | |
| 17 | A | A | -1.9200 | |
| 18 | R | A | -3.0111 | |
| 19 | W | A | -1.7238 | |
| 20 | A | A | -1.6686 | |
| 21 | E | A | -2.6885 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -0.7296 | |
| 25 | L | A | -0.5975 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.5495 | |
| 28 | G | A | -0.1779 | |
| 29 | S | A | -0.4174 | |
| 30 | G | A | -0.7573 | |
| 31 | S | A | -0.9627 | |
| 32 | E | A | 0.0000 | |
| 33 | R | A | -2.4203 | |
| 34 | S | A | 0.0000 | |
| 35 | K | A | -1.2223 | |
| 36 | P | A | 0.0000 | |
| 37 | N | A | -1.3975 | |
| 38 | N | A | -1.2421 | |
| 39 | P | A | -0.9928 | |
| 40 | A | A | -0.7606 | |
| 41 | Q | A | -1.2756 | |
| 42 | Y | A | -0.3579 | |
| 43 | P | A | -0.4235 | |
| 44 | A | A | -0.1800 | |
| 45 | F | A | 0.7288 | |
| 46 | S | A | 0.0000 | |
| 47 | V | A | 1.1148 | |
| 48 | T | A | 0.0000 | |
| 49 | N | A | -1.2959 | |
| 50 | P | A | -0.7392 | |
| 51 | G | A | -0.2966 | |
| 52 | G | A | -0.1865 | |
| 53 | S | A | -0.3915 | |
| 54 | G | A | -0.8453 | |
| 55 | V | A | 0.0000 | |
| 56 | R | A | -2.4602 | |
| 57 | L | A | 0.0000 | |
| 58 | D | A | -3.0016 | |
| 59 | D | A | -3.5271 | |
| 60 | C | A | 0.0000 | |
| 61 | G | A | -2.3540 | |
| 62 | L | A | 0.0000 | |
| 63 | T | A | -1.5574 | |
| 64 | E | A | -2.0326 | |
| 65 | A | A | -1.3848 | |
| 66 | R | A | -1.3792 | |
| 67 | C | A | 0.0000 | |
| 68 | K | A | -2.3371 | |
| 69 | D | A | -1.6921 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | 0.0000 | |
| 72 | S | A | -1.0740 | |
| 73 | A | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | R | A | -1.5703 | |
| 76 | V | A | 0.4917 | |
| 77 | G | A | -0.2587 | |
| 78 | S | A | -0.9044 | |
| 79 | G | A | -1.0496 | |
| 80 | S | A | -1.5061 | |
| 81 | E | A | -1.9785 | |
| 82 | R | A | 0.0000 | |
| 83 | S | A | -1.3785 | |
| 84 | K | A | 0.0000 | |
| 85 | P | A | -0.7795 | |
| 86 | N | A | -0.7748 | |
| 87 | N | A | 0.0000 | |
| 88 | P | A | -0.5043 | |
| 89 | A | A | -0.1159 | |
| 90 | Q | A | 0.0781 | |
| 91 | Y | A | 0.8592 | |
| 92 | P | A | 0.3772 | |
| 93 | A | A | 1.0820 | |
| 94 | F | A | 2.4789 | |
| 95 | S | A | 0.0000 | |
| 96 | V | A | 1.7082 | |
| 97 | T | A | 0.0000 | |
| 98 | N | A | -0.6830 | |
| 99 | P | A | 0.0000 | |
| 100 | G | A | -1.1083 | |
| 101 | G | A | -0.8322 | |
| 102 | S | A | -0.9773 | |
| 103 | G | A | -1.0063 | |
| 104 | E | A | -1.3787 | |
| 105 | L | A | 0.0000 | |
| 106 | N | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | R | A | -2.9372 | |
| 109 | S | A | -2.3640 | |
| 110 | N | A | 0.0000 | |
| 111 | E | A | -2.7057 | |
| 112 | L | A | 0.0000 | |
| 113 | G | A | -0.8790 | |
| 114 | D | A | -0.5330 | |
| 115 | V | A | 0.6634 | |
| 116 | G | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | H | A | -0.3631 | |
| 119 | C | A | -0.9418 | |
| 120 | V | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | Q | A | -1.6967 | |
| 123 | G | A | 0.0000 | |
| 124 | L | A | -1.3119 | |
| 125 | Q | A | -2.1238 | |
| 126 | G | A | -1.6158 | |
| 127 | S | A | -1.5387 | |
| 128 | G | A | -1.4904 | |
| 129 | S | A | 0.0000 | |
| 130 | E | A | -2.2959 | |
| 131 | R | A | 0.0000 | |
| 132 | S | A | -1.2478 | |
| 133 | K | A | 0.0000 | |
| 134 | P | A | -0.9014 | |
| 135 | N | A | 0.0000 | |
| 136 | N | A | 0.0000 | |
| 137 | P | A | 0.0000 | |
| 138 | A | A | -0.4334 | |
| 139 | Q | A | -0.9225 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | 0.3037 | |
| 142 | A | A | 0.6901 | |
| 143 | F | A | 1.3952 | |
| 144 | S | A | 0.0000 | |
| 145 | V | A | 1.1782 | |
| 146 | T | A | 0.0000 | |
| 147 | N | A | -0.4527 | |
| 148 | P | A | 0.0000 | |
| 149 | G | A | -0.8847 | |
| 150 | G | A | -0.9347 | |
| 151 | S | A | -1.1313 | |
| 152 | G | A | -1.2512 | |
| 153 | K | A | -1.2086 | |
| 154 | L | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | Q | A | -1.8608 | |
| 158 | N | A | -1.8212 | |
| 159 | C | A | 0.0000 | |
| 160 | C | A | -0.4815 | |
| 161 | L | A | 0.0000 | |
| 162 | T | A | -0.1889 | |
| 163 | G | A | -0.4064 | |
| 164 | A | A | -0.2313 | |
| 165 | G | A | 0.0000 | |
| 166 | C | A | 0.0000 | |
| 167 | G | A | -0.3284 | |
| 168 | V | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | S | A | -1.1175 | |
| 172 | T | A | -1.1753 | |
| 173 | L | A | -1.3595 | |
| 174 | R | A | -2.4097 | |
| 175 | T | A | -1.7478 | |
| 176 | G | A | -1.6239 | |
| 177 | S | A | -1.5742 | |
| 178 | G | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | E | A | 0.0000 | |
| 181 | R | A | -1.3896 | |
| 182 | S | A | 0.0000 | |
| 183 | K | A | -2.0539 | |
| 184 | P | A | -1.4436 | |
| 185 | N | A | 0.0000 | |
| 186 | N | A | 0.0000 | |
| 187 | P | A | -0.7892 | |
| 188 | A | A | -0.1119 | |
| 189 | Q | A | 0.0000 | |
| 190 | Y | A | 1.2628 | |
| 191 | P | A | 0.9368 | |
| 192 | A | A | 0.0000 | |
| 193 | F | A | 1.6922 | |
| 194 | S | A | 0.0000 | |
| 195 | V | A | 0.7895 | |
| 196 | T | A | 0.0000 | |
| 197 | N | A | -0.8174 | |
| 198 | P | A | 0.0000 | |
| 199 | G | A | -0.8397 | |
| 200 | G | A | -0.9123 | |
| 201 | S | A | -0.9826 | |
| 202 | G | A | -0.9332 | |
| 203 | E | A | -1.0709 | |
| 204 | L | A | -0.4208 | |
| 205 | H | A | -0.6223 | |
| 206 | L | A | 0.0000 | |
| 207 | S | A | 0.0000 | |
| 208 | D | A | -1.1196 | |
| 209 | N | A | -1.2476 | |
| 210 | L | A | 0.0000 | |
| 211 | L | A | -0.2657 | |
| 212 | G | A | -0.5618 | |
| 213 | D | A | -0.6453 | |
| 214 | A | A | -0.2166 | |
| 215 | G | A | -0.3630 | |
| 216 | L | A | 0.0000 | |
| 217 | Q | A | -0.9558 | |
| 218 | L | A | -0.0921 | |
| 219 | L | A | 0.0000 | |
| 220 | C | A | -0.6573 | |
| 221 | E | A | -1.6569 | |
| 222 | G | A | 0.0000 | |
| 223 | L | A | -0.5992 | |
| 224 | L | A | -0.7269 | |
| 225 | G | A | -1.1390 | |
| 226 | S | A | -0.9675 | |
| 227 | G | A | -1.2276 | |
| 228 | S | A | -1.0658 | |
| 229 | E | A | -1.1226 | |
| 230 | R | A | 0.0000 | |
| 231 | S | A | -0.7694 | |
| 232 | K | A | 0.0000 | |
| 233 | P | A | 0.0000 | |
| 234 | N | A | -0.8593 | |
| 235 | N | A | -0.8729 | |
| 236 | P | A | -0.6100 | |
| 237 | A | A | -0.1027 | |
| 238 | Q | A | 0.0000 | |
| 239 | Y | A | 0.7980 | |
| 240 | P | A | 0.7960 | |
| 241 | A | A | 0.9549 | |
| 242 | F | A | 1.4672 | |
| 243 | S | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | T | A | 0.0000 | |
| 246 | N | A | -0.7588 | |
| 247 | P | A | -0.9038 | |
| 248 | G | A | -0.8345 | |
| 249 | G | A | -0.8563 | |
| 250 | S | A | -0.9003 | |
| 251 | G | A | -0.9378 | |
| 252 | K | A | -1.0014 | |
| 253 | L | A | -0.5732 | |
| 254 | Q | A | -0.8425 | |
| 255 | L | A | 0.0000 | |
| 256 | E | A | -1.0140 | |
| 257 | Y | A | -0.4348 | |
| 258 | C | A | 0.0000 | |
| 259 | S | A | -0.8824 | |
| 260 | L | A | 0.0000 | |
| 261 | S | A | -1.4896 | |
| 262 | A | A | -1.3691 | |
| 263 | A | A | -0.7680 | |
| 264 | S | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | E | A | -1.8967 | |
| 267 | P | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | L | A | -1.6449 | |
| 273 | R | A | -2.6116 | |
| 274 | A | A | -1.2042 | |
| 275 | G | A | -1.1797 | |
| 276 | S | A | -1.1009 | |
| 277 | G | A | -1.3210 | |
| 278 | S | A | -0.9212 | |
| 279 | E | A | -1.1712 | |
| 280 | R | A | -1.0463 | |
| 281 | S | A | -0.7589 | |
| 282 | K | A | -1.1120 | |
| 283 | P | A | -1.0550 | |
| 284 | N | A | -1.4472 | |
| 285 | N | A | -1.8147 | |
| 286 | P | A | -1.1589 | |
| 287 | A | A | -0.8158 | |
| 288 | Q | A | -0.9704 | |
| 289 | Y | A | 0.0000 | |
| 290 | P | A | -0.3907 | |
| 291 | A | A | 0.2712 | |
| 292 | F | A | 1.1654 | |
| 293 | S | A | 0.9717 | |
| 294 | V | A | 0.7795 | |
| 295 | T | A | 0.0000 | |
| 296 | N | A | -0.7690 | |
| 297 | P | A | 0.0000 | |
| 298 | G | A | -1.0728 | |
| 299 | G | A | -1.1852 | |
| 300 | S | A | -0.8981 | |
| 301 | G | A | -1.0541 | |
| 302 | E | A | -1.1269 | |
| 303 | L | A | 0.0000 | |
| 304 | T | A | -1.0833 | |
| 305 | V | A | 0.0000 | |
| 306 | S | A | -1.3861 | |
| 307 | N | A | -1.6121 | |
| 308 | N | A | 0.0000 | |
| 309 | D | A | -2.5552 | |
| 310 | I | A | 0.0000 | |
| 311 | N | A | -2.5985 | |
| 312 | E | A | -2.6565 | |
| 313 | A | A | -1.5843 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | R | A | -2.2121 | |
| 317 | V | A | -1.1293 | |
| 318 | L | A | 0.0000 | |
| 319 | C | A | 0.0000 | |
| 320 | Q | A | -1.9909 | |
| 321 | G | A | -2.1522 | |
| 322 | L | A | -1.8594 | |
| 323 | K | A | -2.4073 | |
| 324 | D | A | -2.9806 | |
| 325 | G | A | -2.3604 | |
| 326 | S | A | -2.0698 | |
| 327 | G | A | -2.0747 | |
| 328 | S | A | -1.8404 | |
| 329 | E | A | -2.6025 | |
| 330 | R | A | -1.8064 | |
| 331 | S | A | -1.7463 | |
| 332 | K | A | -1.9711 | |
| 333 | P | A | -1.5217 | |
| 334 | N | A | -0.9752 | |
| 335 | N | A | 0.0000 | |
| 336 | P | A | -0.2150 | |
| 337 | A | A | 0.5981 | |
| 338 | Q | A | 0.0000 | |
| 339 | Y | A | 1.4613 | |
| 340 | P | A | 0.9918 | |
| 341 | A | A | 1.2645 | |
| 342 | F | A | 2.2175 | |
| 343 | S | A | 1.3632 | |
| 344 | V | A | 0.7724 | |
| 345 | T | A | -0.0850 | |
| 346 | N | A | -0.9669 | |
| 347 | P | A | 0.0000 | |
| 348 | G | A | -0.9748 | |
| 349 | G | A | -1.0094 | |
| 350 | S | A | -0.8699 | |
| 351 | G | A | -1.0821 | |
| 352 | A | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | K | A | -1.6469 | |
| 355 | L | A | 0.0000 | |
| 356 | E | A | -2.0101 | |
| 357 | S | A | -2.0499 | |
| 358 | C | A | 0.0000 | |
| 359 | G | A | -1.7508 | |
| 360 | V | A | -1.3156 | |
| 361 | T | A | -0.7176 | |
| 362 | S | A | -0.9978 | |
| 363 | D | A | -2.4370 | |
| 364 | N | A | 0.0000 | |
| 365 | C | A | 0.0000 | |
| 366 | R | A | -2.6092 | |
| 367 | D | A | -1.9555 | |
| 368 | L | A | 0.0000 | |
| 369 | C | A | -0.9500 | |
| 370 | G | A | -1.0577 | |
| 371 | I | A | 0.0000 | |
| 372 | V | A | -0.4784 | |
| 373 | A | A | -0.3612 | |
| 374 | S | A | -0.8416 | |
| 375 | G | A | -1.1166 | |
| 376 | S | A | -0.9910 | |
| 377 | G | A | -1.1306 | |
| 378 | S | A | 0.0000 | |
| 379 | E | A | 0.0000 | |
| 380 | R | A | -1.6498 | |
| 381 | S | A | 0.0000 | |
| 382 | K | A | -1.6933 | |
| 383 | P | A | -1.6263 | |
| 384 | N | A | -2.1522 | |
| 385 | N | A | -1.5120 | |
| 386 | P | A | -0.8542 | |
| 387 | A | A | -0.2692 | |
| 388 | Q | A | 0.0000 | |
| 389 | Y | A | 0.9161 | |
| 390 | P | A | 0.0000 | |
| 391 | A | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | S | A | 0.6298 | |
| 394 | V | A | 0.0000 | |
| 395 | T | A | 0.0000 | |
| 396 | N | A | -1.2217 | |
| 397 | P | A | 0.0000 | |
| 398 | G | A | -0.9367 | |
| 399 | G | A | -1.0129 | |
| 400 | S | A | -0.7386 | |
| 401 | G | A | -0.6843 | |
| 402 | E | A | -0.9481 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | N | A | -2.2940 | |
| 409 | K | A | -2.4440 | |
| 410 | L | A | 0.0000 | |
| 411 | G | A | -0.6967 | |
| 412 | D | A | -0.6564 | |
| 413 | V | A | 0.3032 | |
| 414 | G | A | 0.0000 | |
| 415 | M | A | 0.0000 | |
| 416 | A | A | -0.4493 | |
| 417 | E | A | -0.9395 | |
| 418 | L | A | 0.0000 | |
| 419 | C | A | 0.0000 | |
| 420 | P | A | -0.8165 | |
| 421 | G | A | 0.0000 | |
| 422 | L | A | -0.2284 | |
| 423 | L | A | -0.6382 | |
| 424 | G | A | -0.4856 | |
| 425 | S | A | -0.5170 | |
| 426 | G | A | -0.9380 | |
| 427 | S | A | 0.0000 | |
| 428 | E | A | -1.0232 | |
| 429 | R | A | 0.0000 | |
| 430 | S | A | -1.3410 | |
| 431 | K | A | 0.0000 | |
| 432 | P | A | -1.3075 | |
| 433 | N | A | 0.0000 | |
| 434 | N | A | -0.5843 | |
| 435 | P | A | -0.2443 | |
| 436 | A | A | -0.0305 | |
| 437 | Q | A | -0.6666 | |
| 438 | Y | A | 0.0000 | |
| 439 | P | A | -0.1141 | |
| 440 | A | A | 0.5821 | |
| 441 | F | A | 0.8839 | |
| 442 | S | A | 0.7970 | |
| 443 | V | A | 0.0000 | |
| 444 | T | A | 0.0000 | |
| 445 | N | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | G | A | -1.3599 | |
| 448 | G | A | -1.0363 | |
| 449 | S | A | -0.8835 | |
| 450 | G | A | -0.5305 | |
| 451 | T | A | -0.2771 | |
| 452 | L | A | 0.0000 | |
| 453 | W | A | 0.6188 | |
| 454 | I | A | 0.0000 | |
| 455 | W | A | 0.2104 | |
| 456 | E | A | -1.3857 | |
| 457 | C | A | 0.0000 | |
| 458 | G | A | -1.3073 | |
| 459 | I | A | 0.0000 | |
| 460 | T | A | -1.4293 | |
| 461 | A | A | -1.9901 | |
| 462 | K | A | -1.8557 | |
| 463 | G | A | 0.0000 | |
| 464 | C | A | 0.0000 | |
| 465 | G | A | -1.4901 | |
| 466 | D | A | 0.0000 | |
| 467 | L | A | 0.0000 | |
| 468 | C | A | 0.0000 | |
| 469 | R | A | -2.5749 | |
| 470 | V | A | 0.0000 | |
| 471 | L | A | -1.7292 | |
| 472 | R | A | -3.0356 | |
| 473 | A | A | -1.9753 | |
| 474 | G | A | -1.9109 | |
| 475 | S | A | -2.1052 | |
| 476 | G | A | -1.6917 | |
| 477 | S | A | -1.6060 | |
| 478 | E | A | -2.2555 | |
| 479 | R | A | -2.0519 | |
| 480 | S | A | 0.0000 | |
| 481 | K | A | 0.0000 | |
| 482 | P | A | 0.0000 | |
| 483 | N | A | -2.0014 | |
| 484 | N | A | -2.0322 | |
| 485 | P | A | 0.0000 | |
| 486 | A | A | -0.9728 | |
| 487 | Q | A | 0.0000 | |
| 488 | Y | A | 0.2241 | |
| 489 | P | A | 0.4745 | |
| 490 | A | A | 1.0531 | |
| 491 | F | A | 1.7588 | |
| 492 | S | A | 0.0000 | |
| 493 | V | A | 0.8019 | |
| 494 | T | A | 0.0000 | |
| 495 | N | A | -0.8882 | |
| 496 | P | A | 0.0000 | |
| 497 | G | A | -1.2262 | |
| 498 | G | A | -1.1857 | |
| 499 | S | A | -0.9037 | |
| 500 | G | A | -0.6175 | |
| 501 | E | A | -0.2276 | |
| 502 | L | A | 0.2603 | |
| 503 | S | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | A | A | 0.0000 | |
| 506 | G | A | -0.8666 | |
| 507 | N | A | 0.0000 | |
| 508 | E | A | -2.1357 | |
| 509 | L | A | 0.0000 | |
| 510 | G | A | -2.3169 | |
| 511 | D | A | -3.0907 | |
| 512 | E | A | -3.4375 | |
| 513 | G | A | 0.0000 | |
| 514 | A | A | 0.0000 | |
| 515 | R | A | -3.2546 | |
| 516 | L | A | -2.0214 | |
| 517 | L | A | 0.0000 | |
| 518 | C | A | 0.0000 | |
| 519 | E | A | -1.9171 | |
| 520 | T | A | 0.0000 | |
| 521 | L | A | -0.2987 | |
| 522 | L | A | 0.4557 | |
| 523 | G | A | -0.6786 | |
| 524 | S | A | -0.8938 | |
| 525 | G | A | -0.7799 | |
| 526 | S | A | -1.0743 | |
| 527 | E | A | -1.3211 | |
| 528 | R | A | 0.0000 | |
| 529 | S | A | -0.6912 | |
| 530 | K | A | 0.0000 | |
| 531 | P | A | -0.9813 | |
| 532 | N | A | 0.0000 | |
| 533 | N | A | -1.2692 | |
| 534 | P | A | -0.8486 | |
| 535 | A | A | -0.5419 | |
| 536 | Q | A | -0.8390 | |
| 537 | Y | A | 0.2616 | |
| 538 | P | A | 0.3841 | |
| 539 | A | A | 0.0000 | |
| 540 | F | A | 0.0000 | |
| 541 | S | A | 0.0000 | |
| 542 | V | A | 0.5587 | |
| 543 | T | A | 0.0000 | |
| 544 | N | A | -1.4834 | |
| 545 | P | A | -1.5038 | |
| 546 | G | A | -1.1596 | |
| 547 | G | A | -0.9879 | |
| 548 | S | A | -0.9284 | |
| 549 | G | A | -0.6736 | |
| 550 | S | A | -0.1936 | |
| 551 | L | A | 0.0000 | |
| 552 | W | A | 0.4478 | |
| 553 | V | A | 0.0000 | |
| 554 | K | A | -1.1062 | |
| 555 | S | A | -1.3838 | |
| 556 | C | A | 0.0000 | |
| 557 | S | A | -2.2107 | |
| 558 | F | A | 0.0000 | |
| 559 | T | A | -1.6805 | |
| 560 | A | A | -1.1867 | |
| 561 | A | A | -1.0428 | |
| 562 | C | A | 0.0000 | |
| 563 | C | A | 0.0000 | |
| 564 | S | A | -0.9236 | |
| 565 | H | A | -1.1142 | |
| 566 | F | A | 0.0000 | |
| 567 | S | A | -0.7379 | |
| 568 | S | A | -0.5842 | |
| 569 | V | A | -0.1364 | |
| 570 | L | A | -0.3183 | |
| 571 | A | A | -0.6337 | |
| 572 | Q | A | -0.8129 | |
| 573 | G | A | -0.9460 | |
| 574 | S | A | -1.0695 | |
| 575 | G | A | -1.6139 | |
| 576 | S | A | -1.5235 | |
| 577 | E | A | -2.0800 | |
| 578 | R | A | 0.0000 | |
| 579 | S | A | -1.3601 | |
| 580 | K | A | 0.0000 | |
| 581 | P | A | -1.1509 | |
| 582 | N | A | -1.8311 | |
| 583 | N | A | -1.2678 | |
| 584 | P | A | -0.9810 | |
| 585 | A | A | 0.0000 | |
| 586 | Q | A | 0.2520 | |
| 587 | Y | A | 0.7110 | |
| 588 | P | A | 0.5084 | |
| 589 | A | A | 0.5692 | |
| 590 | F | A | 0.0000 | |
| 591 | S | A | 0.0000 | |
| 592 | V | A | 0.4817 | |
| 593 | T | A | 0.0000 | |
| 594 | N | A | -1.2563 | |
| 595 | P | A | 0.0000 | |
| 596 | G | A | -1.0831 | |
| 597 | G | A | -0.9605 | |
| 598 | S | A | -0.8257 | |
| 599 | G | A | -0.6948 | |
| 600 | E | A | -0.3256 | |
| 601 | L | A | 0.2391 | |
| 602 | Q | A | 0.1778 | |
| 603 | I | A | 0.0000 | |
| 604 | S | A | 0.0000 | |
| 605 | N | A | -1.9671 | |
| 606 | N | A | -2.7979 | |
| 607 | R | A | -3.4795 | |
| 608 | L | A | 0.0000 | |
| 609 | E | A | -3.1125 | |
| 610 | D | A | -2.4712 | |
| 611 | A | A | -1.5677 | |
| 612 | G | A | 0.0000 | |
| 613 | V | A | 0.0000 | |
| 614 | R | A | -1.6609 | |
| 615 | E | A | -1.5529 | |
| 616 | L | A | 0.0000 | |
| 617 | C | A | 0.0000 | |
| 618 | Q | A | -1.6985 | |
| 619 | G | A | 0.0000 | |
| 620 | L | A | 0.0000 | |
| 621 | G | A | -0.8185 | |
| 622 | G | A | -1.2372 | |
| 623 | S | A | -1.1732 | |
| 624 | G | A | -1.2214 | |
| 625 | S | A | -1.0368 | |
| 626 | E | A | -2.0544 | |
| 627 | R | A | -1.8713 | |
| 628 | S | A | -1.7330 | |
| 629 | K | A | 0.0000 | |
| 630 | P | A | 0.0000 | |
| 631 | N | A | 0.0000 | |
| 632 | N | A | 0.0000 | |
| 633 | P | A | 0.0000 | |
| 634 | A | A | -0.7516 | |
| 635 | Q | A | -1.2423 | |
| 636 | Y | A | -0.1798 | |
| 637 | P | A | 0.1253 | |
| 638 | A | A | 0.0000 | |
| 639 | F | A | 2.3831 | |
| 640 | S | A | 0.0000 | |
| 641 | V | A | 1.0871 | |
| 642 | T | A | 0.0000 | |
| 643 | N | A | -1.0006 | |
| 644 | P | A | 0.0000 | |
| 645 | G | A | -0.8586 | |
| 646 | G | A | -0.9588 | |
| 647 | S | A | -0.7131 | |
| 648 | G | A | -0.5383 | |
| 649 | V | A | -0.0369 | |
| 650 | L | A | 0.1483 | |
| 651 | W | A | 0.1868 | |
| 652 | L | A | 0.0000 | |
| 653 | A | A | -1.6059 | |
| 654 | D | A | -2.6960 | |
| 655 | C | A | 0.0000 | |
| 656 | D | A | -3.7674 | |
| 657 | V | A | 0.0000 | |
| 658 | S | A | -1.8866 | |
| 659 | D | A | -1.7615 | |
| 660 | S | A | -1.0387 | |
| 661 | S | A | 0.0000 | |
| 662 | C | A | 0.0000 | |
| 663 | S | A | -0.7581 | |
| 664 | S | A | -0.8660 | |
| 665 | L | A | 0.0000 | |
| 666 | A | A | 0.0000 | |
| 667 | A | A | 0.1621 | |
| 668 | T | A | -0.0339 | |
| 669 | L | A | 0.0000 | |
| 670 | L | A | 1.2034 | |
| 671 | A | A | -0.0507 | |
| 672 | G | A | -0.4760 | |
| 673 | S | A | -0.3694 | |
| 674 | G | A | -0.6628 | |
| 675 | S | A | 0.0000 | |
| 676 | E | A | 0.0000 | |
| 677 | R | A | -1.9094 | |
| 678 | S | A | 0.0000 | |
| 679 | K | A | -2.5529 | |
| 680 | P | A | -1.6424 | |
| 681 | N | A | -1.4496 | |
| 682 | N | A | -1.7062 | |
| 683 | P | A | -0.9395 | |
| 684 | A | A | -0.7021 | |
| 685 | Q | A | -1.0297 | |
| 686 | Y | A | 0.0000 | |
| 687 | P | A | -0.2674 | |
| 688 | A | A | 0.7202 | |
| 689 | F | A | 1.6387 | |
| 690 | S | A | 0.0000 | |
| 691 | V | A | 1.1438 | |
| 692 | T | A | 0.0000 | |
| 693 | N | A | 0.0000 | |
| 694 | P | A | 0.0000 | |
| 695 | G | A | -0.9341 | |
| 696 | G | A | -0.8491 | |
| 697 | S | A | -0.7896 | |
| 698 | G | A | -0.7343 | |
| 699 | E | A | -0.5164 | |
| 700 | L | A | 0.0000 | |
| 701 | D | A | -0.0830 | |
| 702 | L | A | 0.0000 | |
| 703 | S | A | -1.1974 | |
| 704 | N | A | -2.4965 | |
| 705 | N | A | -2.5480 | |
| 706 | C | A | -1.7751 | |
| 707 | L | A | 0.0000 | |
| 708 | G | A | -0.5184 | |
| 709 | D | A | -0.3945 | |
| 710 | A | A | -0.2918 | |
| 711 | G | A | 0.0000 | |
| 712 | I | A | 0.0000 | |
| 713 | L | A | -0.5731 | |
| 714 | Q | A | -1.2815 | |
| 715 | L | A | 0.0000 | |
| 716 | V | A | 0.0000 | |
| 717 | E | A | -2.6241 | |
| 718 | S | A | 0.0000 | |
| 719 | V | A | 0.0000 | |
| 720 | R | A | -3.1738 | |
| 721 | G | A | -1.8468 | |
| 722 | S | A | -1.1772 | |
| 723 | G | A | -1.3031 | |
| 724 | S | A | 0.0000 | |
| 725 | E | A | -1.5770 | |
| 726 | R | A | 0.0000 | |
| 727 | S | A | -1.1709 | |
| 728 | K | A | 0.0000 | |
| 729 | P | A | -1.1719 | |
| 730 | N | A | -1.7904 | |
| 731 | N | A | 0.0000 | |
| 732 | P | A | -1.0796 | |
| 733 | A | A | -0.6626 | |
| 734 | Q | A | -0.8194 | |
| 735 | Y | A | 0.0000 | |
| 736 | P | A | 0.0388 | |
| 737 | A | A | 0.6726 | |
| 738 | F | A | 1.4625 | |
| 739 | S | A | 0.0000 | |
| 740 | V | A | 1.0266 | |
| 741 | T | A | 0.0000 | |
| 742 | N | A | -1.4033 | |
| 743 | P | A | 0.0000 | |
| 744 | G | A | -1.2104 | |
| 745 | G | A | -0.6840 | |
| 746 | S | A | -0.7671 | |
| 747 | G | A | -0.7353 | |
| 748 | Q | A | -0.6034 | |
| 749 | L | A | 0.0000 | |
| 750 | V | A | 0.3899 | |
| 751 | L | A | 0.0000 | |
| 752 | Y | A | 0.4271 | |
| 753 | D | A | -1.1018 | |
| 754 | I | A | 0.0000 | |
| 755 | Y | A | 0.8137 | |
| 756 | W | A | -0.2770 | |
| 757 | S | A | -1.8380 | |
| 758 | E | A | -3.4736 | |
| 759 | E | A | -3.8841 | |
| 760 | M | A | 0.0000 | |
| 761 | E | A | -3.4927 | |
| 762 | D | A | -4.0986 | |
| 763 | R | A | -3.3377 | |
| 764 | L | A | 0.0000 | |
| 765 | Q | A | -2.9173 | |
| 766 | A | A | -2.5462 | |
| 767 | L | A | 0.0000 | |
| 768 | E | A | -2.6302 | |
| 769 | K | A | -2.9702 | |
| 770 | D | A | -2.8764 | |
| 771 | G | A | -2.2733 | |
| 772 | S | A | -1.8576 | |
| 773 | G | A | -2.0026 | |
| 774 | S | A | -2.1079 | |
| 775 | E | A | -3.1393 | |
| 776 | R | A | -3.0865 | |
| 777 | S | A | -2.2506 | |
| 778 | K | A | -1.7152 | |
| 779 | P | A | -1.3408 | |
| 780 | N | A | -1.1152 | |
| 781 | N | A | -1.0864 | |
| 782 | P | A | -0.5979 | |
| 783 | A | A | -0.3304 | |
| 784 | Q | A | -0.3150 | |
| 785 | Y | A | 0.5519 | |
| 786 | P | A | 0.2345 | |
| 787 | A | A | 0.1756 | |
| 788 | F | A | 0.7787 | |
| 789 | S | A | 0.0000 | |
| 790 | V | A | 0.0781 | |
| 791 | T | A | 0.0000 | |
| 792 | N | A | -2.0463 | |
| 793 | P | A | -2.2521 | |
| 794 | G | A | -1.9505 | |
| 795 | G | A | -1.6839 | |
| 796 | S | A | -1.7221 | |
| 797 | G | A | 0.0000 | |
| 798 | R | A | -1.7431 | |
| 799 | V | A | 0.0000 | |
| 800 | I | A | 0.3326 | |
| 801 | S | A | -0.5212 |
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, -0.665 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_4 | -0.665 | View | CSV | PDB |
| model_6 | -0.6746 | View | CSV | PDB |
| model_7 | -0.6913 | View | CSV | PDB |
| model_1 | -0.7077 | View | CSV | PDB |
| model_0 | -0.7215 | View | CSV | PDB |
| CABS_average | -0.7405 | View | CSV | PDB |
| model_5 | -0.7424 | View | CSV | PDB |
| model_8 | -0.7444 | View | CSV | PDB |
| model_2 | -0.7535 | View | CSV | PDB |
| model_3 | -0.7547 | View | CSV | PDB |
| model_9 | -0.7668 | View | CSV | PDB |
| model_10 | -0.8156 | View | CSV | PDB |
| model_11 | -0.8486 | View | CSV | PDB |
| input | -1.0099 | 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