Project name: C14_A16_EF_A4_EF_GSG
Status: done
Started: 2026-07-21 11:04:26
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGTGNENSHPPYATTGSGVRLDDCGLTEARCKDISSALRVGSGTGNENSHPPYATTGSGELNLRSNELGDVGVHCVLQGLQGSGTGNENSHPPYATTGSGKLSLQNCCLTGAGCGVLSSTLRTGSGTGNENSHPPYATTGSGELHLSDNLLGDAGLQLLCEGLLGSGTGNENSHPPYATTGSGKLQLEYCSLSAASCEPLASVLRAGSGTGNENSHPPYATTGSGELTVSNNDINEAGVRVLCQGLKDGSGTGNENSHPPYATTGSGALKLESCGVTSDNCRDLCGIVASGSGTGNENSHPPYATTGSGELALGSNKLGDVGMAELCPGLLGSGSERSKPNNPAQYPAFSVTNPGGSGTLWIWECGITAKGCGDLCRVLRAGSGSERSKPNNPAQYPAFSVTNPGGSGELSLAGNELGDEGARLLCETLLGSGSERSKPNNPAQYPAFSVTNPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGSERSKPNNPAQYPAFSVTNPGGSGELQISNNRLEDAGVRELCQGLGGSGSERSKPNNPAQYPAFSVTNPGGSGVLWLADCDVSDSSCSSLAATLLAGSGSERSKPNNPAQYPAFSVTNPGGSGELDLSNNCLGDAGILQLVESVRGSGSERSKPNNPAQYPAFSVTNPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGSERSKPNNPAQYPAFSVTNPGGSGRVIS
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:10:22)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:40:09)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:40:15)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:40:21)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:40:28)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:40:36)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:40:43)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:40:51)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:40:58)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:41:05)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:41:12)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:41:20)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:41:26)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:41:34)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:41:51)
[INFO] Main: Simulation completed successfully. (02:41:58)
|
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
- -4.0306
- Maximal score value
- 3.0024
- Average score
- -0.7291
- Total score value
- -537.3634
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 | 0.4341 | |
| 2 | L | A | 1.6639 | |
| 3 | D | A | 0.0000 | |
| 4 | I | A | 1.9038 | |
| 5 | Q | A | 0.7187 | |
| 6 | S | A | -0.2241 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.4699 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -3.3103 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.4941 | |
| 13 | E | A | -2.8884 | |
| 14 | L | A | -1.5448 | |
| 15 | S | A | -1.5416 | |
| 16 | D | A | -1.6914 | |
| 17 | A | A | -1.2138 | |
| 18 | R | A | -1.9001 | |
| 19 | W | A | -1.2092 | |
| 20 | A | A | -1.2156 | |
| 21 | E | A | -1.7860 | |
| 22 | L | A | -0.8804 | |
| 23 | L | A | -0.3678 | |
| 24 | P | A | -0.3228 | |
| 25 | L | A | 0.9084 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.4105 | |
| 28 | G | A | -0.3250 | |
| 29 | S | A | 0.0000 | |
| 30 | G | A | 0.2590 | |
| 31 | T | A | -0.2079 | |
| 32 | G | A | -1.0002 | |
| 33 | N | A | -1.2077 | |
| 34 | E | A | -1.3879 | |
| 35 | N | A | -1.4323 | |
| 36 | S | A | -1.3139 | |
| 37 | H | A | -1.2912 | |
| 38 | P | A | -0.4044 | |
| 39 | P | A | -0.2101 | |
| 40 | Y | A | 0.0000 | |
| 41 | A | A | 0.6175 | |
| 42 | T | A | 0.0000 | |
| 43 | T | A | 0.3089 | |
| 44 | G | A | -0.1667 | |
| 45 | S | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | R | A | -3.1211 | |
| 49 | L | A | 0.0000 | |
| 50 | D | A | -3.3787 | |
| 51 | D | A | -3.7010 | |
| 52 | C | A | 0.0000 | |
| 53 | G | A | -2.6412 | |
| 54 | L | A | 0.0000 | |
| 55 | T | A | -1.2191 | |
| 56 | E | A | -1.6865 | |
| 57 | A | A | -1.2258 | |
| 58 | R | A | -1.2053 | |
| 59 | C | A | 0.0000 | |
| 60 | K | A | -2.1484 | |
| 61 | D | A | -1.3997 | |
| 62 | I | A | 0.0000 | |
| 63 | S | A | 0.0000 | |
| 64 | S | A | -0.9241 | |
| 65 | A | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | R | A | -1.2116 | |
| 68 | V | A | -0.3144 | |
| 69 | G | A | 0.0000 | |
| 70 | S | A | 0.0000 | |
| 71 | G | A | -0.3000 | |
| 72 | T | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | N | A | 0.0000 | |
| 75 | E | A | -1.6981 | |
| 76 | N | A | -1.8482 | |
| 77 | S | A | -1.3844 | |
| 78 | H | A | -1.4702 | |
| 79 | P | A | -0.9737 | |
| 80 | P | A | 0.0000 | |
| 81 | Y | A | -0.0786 | |
| 82 | A | A | 0.0558 | |
| 83 | T | A | -0.1720 | |
| 84 | T | A | 0.0000 | |
| 85 | G | A | -0.6662 | |
| 86 | S | A | -0.6553 | |
| 87 | G | A | -0.5894 | |
| 88 | E | A | -0.9783 | |
| 89 | L | A | 0.0000 | |
| 90 | N | A | -1.6197 | |
| 91 | L | A | 0.0000 | |
| 92 | R | A | -2.7050 | |
| 93 | S | A | 0.0000 | |
| 94 | N | A | -3.2652 | |
| 95 | E | A | -3.2760 | |
| 96 | L | A | 0.0000 | |
| 97 | G | A | -1.4375 | |
| 98 | D | A | -0.9062 | |
| 99 | V | A | 0.4279 | |
| 100 | G | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | H | A | -0.8810 | |
| 103 | C | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | Q | A | -1.1981 | |
| 107 | G | A | 0.0000 | |
| 108 | L | A | -0.4398 | |
| 109 | Q | A | -0.9578 | |
| 110 | G | A | -0.8395 | |
| 111 | S | A | -0.7020 | |
| 112 | G | A | 0.0000 | |
| 113 | T | A | -0.8956 | |
| 114 | G | A | -1.4362 | |
| 115 | N | A | -2.3954 | |
| 116 | E | A | -3.0116 | |
| 117 | N | A | -2.9457 | |
| 118 | S | A | -2.0655 | |
| 119 | H | A | 0.0000 | |
| 120 | P | A | -0.9458 | |
| 121 | P | A | -0.5904 | |
| 122 | Y | A | 0.0000 | |
| 123 | A | A | 0.1796 | |
| 124 | T | A | 0.2251 | |
| 125 | T | A | 0.0000 | |
| 126 | G | A | -0.4836 | |
| 127 | S | A | -0.6402 | |
| 128 | G | A | -0.6402 | |
| 129 | K | A | -0.8613 | |
| 130 | L | A | 0.0000 | |
| 131 | S | A | -0.9198 | |
| 132 | L | A | 0.0000 | |
| 133 | Q | A | -1.8465 | |
| 134 | N | A | -1.8513 | |
| 135 | C | A | -1.5878 | |
| 136 | C | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -0.5915 | |
| 139 | G | A | -0.4638 | |
| 140 | A | A | -0.4155 | |
| 141 | G | A | 0.0000 | |
| 142 | C | A | 0.0000 | |
| 143 | G | A | -0.4609 | |
| 144 | V | A | -0.4591 | |
| 145 | L | A | 0.0000 | |
| 146 | S | A | -0.8428 | |
| 147 | S | A | -1.0937 | |
| 148 | T | A | 0.0000 | |
| 149 | L | A | -0.9763 | |
| 150 | R | A | -2.1090 | |
| 151 | T | A | -1.5013 | |
| 152 | G | A | -1.1395 | |
| 153 | S | A | -0.8086 | |
| 154 | G | A | -0.4779 | |
| 155 | T | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | N | A | -2.1153 | |
| 158 | E | A | -2.9161 | |
| 159 | N | A | -2.1864 | |
| 160 | S | A | -1.3737 | |
| 161 | H | A | -1.3028 | |
| 162 | P | A | 0.0000 | |
| 163 | P | A | -0.0296 | |
| 164 | Y | A | 0.5648 | |
| 165 | A | A | 0.0000 | |
| 166 | T | A | 0.0000 | |
| 167 | T | A | -0.3036 | |
| 168 | G | A | -0.4101 | |
| 169 | S | A | -0.5854 | |
| 170 | G | A | 0.0000 | |
| 171 | E | A | -0.9041 | |
| 172 | L | A | 0.0000 | |
| 173 | H | A | -0.5071 | |
| 174 | L | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | D | A | 0.0000 | |
| 177 | N | A | -0.4605 | |
| 178 | L | A | 1.0742 | |
| 179 | L | A | 0.0000 | |
| 180 | G | A | 0.1926 | |
| 181 | D | A | -0.3324 | |
| 182 | A | A | -0.5217 | |
| 183 | G | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | Q | A | -1.5075 | |
| 186 | L | A | -0.5790 | |
| 187 | L | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | E | A | -1.9023 | |
| 190 | G | A | 0.0000 | |
| 191 | L | A | -0.3591 | |
| 192 | L | A | -0.3245 | |
| 193 | G | A | -1.0378 | |
| 194 | S | A | -0.8653 | |
| 195 | G | A | -0.4844 | |
| 196 | T | A | -0.2593 | |
| 197 | G | A | -0.6398 | |
| 198 | N | A | 0.0000 | |
| 199 | E | A | -1.5611 | |
| 200 | N | A | -1.8488 | |
| 201 | S | A | -1.5343 | |
| 202 | H | A | 0.0000 | |
| 203 | P | A | 0.0000 | |
| 204 | P | A | -0.3463 | |
| 205 | Y | A | 0.0000 | |
| 206 | A | A | -0.0177 | |
| 207 | T | A | 0.0000 | |
| 208 | T | A | -0.2490 | |
| 209 | G | A | -0.4380 | |
| 210 | S | A | -0.7328 | |
| 211 | G | A | -0.6921 | |
| 212 | K | A | -0.9008 | |
| 213 | L | A | -0.2834 | |
| 214 | Q | A | -0.4180 | |
| 215 | L | A | 0.0000 | |
| 216 | E | A | 0.0743 | |
| 217 | Y | A | 0.8595 | |
| 218 | C | A | 0.0000 | |
| 219 | S | A | 0.4449 | |
| 220 | L | A | 0.6490 | |
| 221 | S | A | 0.0000 | |
| 222 | A | A | -1.0836 | |
| 223 | A | A | -0.7518 | |
| 224 | S | A | 0.0000 | |
| 225 | C | A | 0.0000 | |
| 226 | E | A | -2.1362 | |
| 227 | P | A | -1.5869 | |
| 228 | L | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | S | A | -1.4308 | |
| 231 | V | A | 0.0000 | |
| 232 | L | A | -1.0008 | |
| 233 | R | A | -2.1639 | |
| 234 | A | A | -0.9875 | |
| 235 | G | A | -1.1165 | |
| 236 | S | A | 0.0000 | |
| 237 | G | A | -1.5097 | |
| 238 | T | A | -1.3336 | |
| 239 | G | A | -1.4874 | |
| 240 | N | A | -1.9727 | |
| 241 | E | A | -2.6264 | |
| 242 | N | A | 0.0000 | |
| 243 | S | A | -1.5883 | |
| 244 | H | A | -1.4856 | |
| 245 | P | A | -0.7972 | |
| 246 | P | A | -0.6592 | |
| 247 | Y | A | -0.3456 | |
| 248 | A | A | 0.0115 | |
| 249 | T | A | 0.0000 | |
| 250 | T | A | -0.3394 | |
| 251 | G | A | -0.6259 | |
| 252 | S | A | -0.6839 | |
| 253 | G | A | -0.7987 | |
| 254 | E | A | -1.1531 | |
| 255 | L | A | -0.4485 | |
| 256 | T | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | S | A | -0.4155 | |
| 259 | N | A | 0.0000 | |
| 260 | N | A | -1.3945 | |
| 261 | D | A | -2.0657 | |
| 262 | I | A | 0.0000 | |
| 263 | N | A | -2.3927 | |
| 264 | E | A | -2.7275 | |
| 265 | A | A | -1.6553 | |
| 266 | G | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | R | A | -2.4577 | |
| 269 | V | A | -1.3560 | |
| 270 | L | A | 0.0000 | |
| 271 | C | A | 0.0000 | |
| 272 | Q | A | -1.6587 | |
| 273 | G | A | 0.0000 | |
| 274 | L | A | -1.1861 | |
| 275 | K | A | -1.8509 | |
| 276 | D | A | -2.1662 | |
| 277 | G | A | -1.7786 | |
| 278 | S | A | -1.4216 | |
| 279 | G | A | -1.4194 | |
| 280 | T | A | -1.2634 | |
| 281 | G | A | -1.1712 | |
| 282 | N | A | 0.0000 | |
| 283 | E | A | -1.7256 | |
| 284 | N | A | -1.7078 | |
| 285 | S | A | -1.2708 | |
| 286 | H | A | 0.0000 | |
| 287 | P | A | -1.2278 | |
| 288 | P | A | 0.0000 | |
| 289 | Y | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | T | A | -0.0231 | |
| 292 | T | A | -0.4776 | |
| 293 | G | A | -0.8460 | |
| 294 | S | A | -0.9436 | |
| 295 | G | A | -0.8328 | |
| 296 | A | A | -0.6887 | |
| 297 | L | A | 0.0000 | |
| 298 | K | A | -0.6665 | |
| 299 | L | A | 0.0000 | |
| 300 | E | A | -1.1579 | |
| 301 | S | A | -1.4351 | |
| 302 | C | A | -1.6886 | |
| 303 | G | A | -1.6684 | |
| 304 | V | A | -1.6000 | |
| 305 | T | A | -1.1994 | |
| 306 | S | A | -1.3700 | |
| 307 | D | A | -2.7807 | |
| 308 | N | A | 0.0000 | |
| 309 | C | A | 0.0000 | |
| 310 | R | A | -2.7960 | |
| 311 | D | A | -2.0749 | |
| 312 | L | A | -1.0388 | |
| 313 | C | A | -0.7531 | |
| 314 | G | A | -0.7879 | |
| 315 | I | A | -0.6575 | |
| 316 | V | A | -0.1809 | |
| 317 | A | A | -0.2417 | |
| 318 | S | A | -0.6863 | |
| 319 | G | A | -0.9276 | |
| 320 | S | A | -0.6641 | |
| 321 | G | A | -0.6746 | |
| 322 | T | A | -0.6469 | |
| 323 | G | A | -0.9313 | |
| 324 | N | A | -1.5326 | |
| 325 | E | A | -2.3181 | |
| 326 | N | A | -1.8068 | |
| 327 | S | A | -1.1425 | |
| 328 | H | A | -0.5736 | |
| 329 | P | A | 0.0342 | |
| 330 | P | A | 0.1333 | |
| 331 | Y | A | 0.6682 | |
| 332 | A | A | 0.2124 | |
| 333 | T | A | -0.3180 | |
| 334 | T | A | -0.6084 | |
| 335 | G | A | -1.0934 | |
| 336 | S | A | -0.9906 | |
| 337 | G | A | -0.8613 | |
| 338 | E | A | -1.0814 | |
| 339 | L | A | 0.0840 | |
| 340 | A | A | 0.0000 | |
| 341 | L | A | -0.2074 | |
| 342 | G | A | 0.0000 | |
| 343 | S | A | -1.2890 | |
| 344 | N | A | -2.3582 | |
| 345 | K | A | -2.5400 | |
| 346 | L | A | 0.0000 | |
| 347 | G | A | -0.5725 | |
| 348 | D | A | -0.7579 | |
| 349 | V | A | 0.2185 | |
| 350 | G | A | 0.0000 | |
| 351 | M | A | 0.0000 | |
| 352 | A | A | -0.6228 | |
| 353 | E | A | -1.0695 | |
| 354 | L | A | -0.4244 | |
| 355 | C | A | 0.0000 | |
| 356 | P | A | -0.4608 | |
| 357 | G | A | 0.0000 | |
| 358 | L | A | 0.4806 | |
| 359 | L | A | 0.1636 | |
| 360 | G | A | -0.2726 | |
| 361 | S | A | -0.5624 | |
| 362 | G | A | -1.1654 | |
| 363 | S | A | -1.5429 | |
| 364 | E | A | -2.6275 | |
| 365 | R | A | -2.6853 | |
| 366 | S | A | -2.1340 | |
| 367 | K | A | -2.6078 | |
| 368 | P | A | -2.0111 | |
| 369 | N | A | -2.4303 | |
| 370 | N | A | -2.3161 | |
| 371 | P | A | -1.4014 | |
| 372 | A | A | -0.5611 | |
| 373 | Q | A | 0.6144 | |
| 374 | Y | A | 1.3646 | |
| 375 | P | A | 1.0636 | |
| 376 | A | A | 1.4236 | |
| 377 | F | A | 2.9642 | |
| 378 | S | A | 2.1336 | |
| 379 | V | A | 2.0821 | |
| 380 | T | A | 0.0000 | |
| 381 | N | A | -1.1753 | |
| 382 | P | A | -1.2498 | |
| 383 | G | A | -1.1868 | |
| 384 | G | A | -1.2085 | |
| 385 | S | A | -1.1082 | |
| 386 | G | A | -0.9628 | |
| 387 | T | A | -0.6101 | |
| 388 | L | A | 0.1368 | |
| 389 | W | A | 0.3976 | |
| 390 | I | A | 0.0000 | |
| 391 | W | A | -0.3508 | |
| 392 | E | A | -1.7073 | |
| 393 | C | A | 0.0000 | |
| 394 | G | A | -1.6807 | |
| 395 | I | A | 0.0000 | |
| 396 | T | A | -1.5885 | |
| 397 | A | A | -1.8608 | |
| 398 | K | A | -2.0561 | |
| 399 | G | A | 0.0000 | |
| 400 | C | A | 0.0000 | |
| 401 | G | A | -1.8438 | |
| 402 | D | A | -2.0376 | |
| 403 | L | A | 0.0000 | |
| 404 | C | A | 0.0000 | |
| 405 | R | A | -2.8323 | |
| 406 | V | A | 0.0000 | |
| 407 | L | A | -1.4611 | |
| 408 | R | A | -2.6734 | |
| 409 | A | A | 0.0000 | |
| 410 | G | A | -1.5617 | |
| 411 | S | A | -1.4521 | |
| 412 | G | A | -1.6407 | |
| 413 | S | A | 0.0000 | |
| 414 | E | A | 0.0000 | |
| 415 | R | A | -1.8915 | |
| 416 | S | A | -1.6393 | |
| 417 | K | A | -1.5646 | |
| 418 | P | A | -1.4319 | |
| 419 | N | A | 0.0000 | |
| 420 | N | A | -1.0614 | |
| 421 | P | A | 0.0000 | |
| 422 | A | A | -0.9088 | |
| 423 | Q | A | -1.4612 | |
| 424 | Y | A | -0.6052 | |
| 425 | P | A | 0.2521 | |
| 426 | A | A | 0.0000 | |
| 427 | F | A | 3.0024 | |
| 428 | S | A | 0.0000 | |
| 429 | V | A | 1.7019 | |
| 430 | T | A | 0.0000 | |
| 431 | N | A | -0.7047 | |
| 432 | P | A | 0.0000 | |
| 433 | G | A | -1.0472 | |
| 434 | G | A | -1.2081 | |
| 435 | S | A | -0.8708 | |
| 436 | G | A | -0.9042 | |
| 437 | E | A | -0.8751 | |
| 438 | L | A | 0.0000 | |
| 439 | S | A | 0.0000 | |
| 440 | L | A | 0.0000 | |
| 441 | A | A | 0.0000 | |
| 442 | G | A | 0.0000 | |
| 443 | N | A | -1.7029 | |
| 444 | E | A | -2.3562 | |
| 445 | L | A | 0.0000 | |
| 446 | G | A | 0.0000 | |
| 447 | D | A | -2.9723 | |
| 448 | E | A | -2.8556 | |
| 449 | G | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | R | A | -2.4620 | |
| 452 | L | A | -1.9543 | |
| 453 | L | A | 0.0000 | |
| 454 | C | A | 0.0000 | |
| 455 | E | A | -1.9521 | |
| 456 | T | A | -1.4359 | |
| 457 | L | A | -0.4023 | |
| 458 | L | A | 0.1377 | |
| 459 | G | A | -0.5336 | |
| 460 | S | A | -0.7035 | |
| 461 | G | A | -0.7814 | |
| 462 | S | A | -0.6563 | |
| 463 | E | A | 0.0000 | |
| 464 | R | A | 0.0000 | |
| 465 | S | A | -0.4792 | |
| 466 | K | A | 0.0000 | |
| 467 | P | A | -0.1640 | |
| 468 | N | A | -0.0978 | |
| 469 | N | A | -0.3988 | |
| 470 | P | A | -0.8138 | |
| 471 | A | A | -1.0226 | |
| 472 | Q | A | -1.7241 | |
| 473 | Y | A | 0.0000 | |
| 474 | P | A | -0.1543 | |
| 475 | A | A | 0.0000 | |
| 476 | F | A | 1.9651 | |
| 477 | S | A | 0.0000 | |
| 478 | V | A | 1.0530 | |
| 479 | T | A | 0.0000 | |
| 480 | N | A | -0.6002 | |
| 481 | P | A | 0.0000 | |
| 482 | G | A | 0.0000 | |
| 483 | G | A | -1.0090 | |
| 484 | S | A | -0.9079 | |
| 485 | G | A | -0.6898 | |
| 486 | S | A | -0.4687 | |
| 487 | L | A | -0.1133 | |
| 488 | W | A | 0.2010 | |
| 489 | V | A | 0.0000 | |
| 490 | K | A | -1.0281 | |
| 491 | S | A | -1.4036 | |
| 492 | C | A | -1.7450 | |
| 493 | S | A | -2.2180 | |
| 494 | F | A | 0.0000 | |
| 495 | T | A | -1.5247 | |
| 496 | A | A | -1.4029 | |
| 497 | A | A | -0.7953 | |
| 498 | C | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | S | A | -0.8695 | |
| 501 | H | A | -0.7625 | |
| 502 | F | A | 0.0000 | |
| 503 | S | A | 0.0000 | |
| 504 | S | A | -0.6358 | |
| 505 | V | A | -0.1552 | |
| 506 | L | A | -0.4941 | |
| 507 | A | A | -0.9843 | |
| 508 | Q | A | -1.0337 | |
| 509 | G | A | -1.0593 | |
| 510 | S | A | -1.0962 | |
| 511 | G | A | -0.9581 | |
| 512 | S | A | -0.9584 | |
| 513 | E | A | -0.9796 | |
| 514 | R | A | -0.9021 | |
| 515 | S | A | -0.4595 | |
| 516 | K | A | -0.4281 | |
| 517 | P | A | -0.5050 | |
| 518 | N | A | -1.2726 | |
| 519 | N | A | -1.5079 | |
| 520 | P | A | -1.2553 | |
| 521 | A | A | -1.2205 | |
| 522 | Q | A | -1.6050 | |
| 523 | Y | A | -0.8321 | |
| 524 | P | A | -0.4899 | |
| 525 | A | A | 0.0000 | |
| 526 | F | A | 0.8238 | |
| 527 | S | A | 0.0000 | |
| 528 | V | A | 0.6151 | |
| 529 | T | A | 0.0000 | |
| 530 | N | A | -0.6709 | |
| 531 | P | A | -0.8731 | |
| 532 | G | A | -0.9041 | |
| 533 | G | A | -0.9727 | |
| 534 | S | A | -0.7652 | |
| 535 | G | A | -0.6746 | |
| 536 | E | A | -0.5278 | |
| 537 | L | A | 0.0422 | |
| 538 | Q | A | -0.1250 | |
| 539 | I | A | 0.0000 | |
| 540 | S | A | 0.0000 | |
| 541 | N | A | -2.3195 | |
| 542 | N | A | -2.7176 | |
| 543 | R | A | -3.2043 | |
| 544 | L | A | 0.0000 | |
| 545 | E | A | -3.1616 | |
| 546 | D | A | -2.5346 | |
| 547 | A | A | -1.5835 | |
| 548 | G | A | 0.0000 | |
| 549 | V | A | 0.0000 | |
| 550 | R | A | -2.8692 | |
| 551 | E | A | -2.1160 | |
| 552 | L | A | 0.0000 | |
| 553 | C | A | 0.0000 | |
| 554 | Q | A | -1.9886 | |
| 555 | G | A | 0.0000 | |
| 556 | L | A | -0.9326 | |
| 557 | G | A | -0.9969 | |
| 558 | G | A | -1.3650 | |
| 559 | S | A | -0.8630 | |
| 560 | G | A | -1.2466 | |
| 561 | S | A | -2.1039 | |
| 562 | E | A | -3.3669 | |
| 563 | R | A | -2.9341 | |
| 564 | S | A | -2.2666 | |
| 565 | K | A | 0.0000 | |
| 566 | P | A | -1.2312 | |
| 567 | N | A | -1.3678 | |
| 568 | N | A | -1.4952 | |
| 569 | P | A | -1.1960 | |
| 570 | A | A | -1.3645 | |
| 571 | Q | A | -1.7231 | |
| 572 | Y | A | 0.0000 | |
| 573 | P | A | -0.2361 | |
| 574 | A | A | 0.0000 | |
| 575 | F | A | 0.9368 | |
| 576 | S | A | 0.0000 | |
| 577 | V | A | 0.6603 | |
| 578 | T | A | -0.1657 | |
| 579 | N | A | -0.9015 | |
| 580 | P | A | 0.0000 | |
| 581 | G | A | -0.8213 | |
| 582 | G | A | -0.6934 | |
| 583 | S | A | -0.6543 | |
| 584 | G | A | -0.6460 | |
| 585 | V | A | -0.2536 | |
| 586 | L | A | 0.0000 | |
| 587 | W | A | 0.1846 | |
| 588 | L | A | 0.0000 | |
| 589 | A | A | 0.0000 | |
| 590 | D | A | -2.4274 | |
| 591 | C | A | 0.0000 | |
| 592 | D | A | -2.5569 | |
| 593 | V | A | 0.0000 | |
| 594 | S | A | -2.0529 | |
| 595 | D | A | -2.3512 | |
| 596 | S | A | -1.6155 | |
| 597 | S | A | 0.0000 | |
| 598 | C | A | 0.0000 | |
| 599 | S | A | -0.9149 | |
| 600 | S | A | -1.0766 | |
| 601 | L | A | 0.0000 | |
| 602 | A | A | 0.0000 | |
| 603 | A | A | 0.0636 | |
| 604 | T | A | -0.1017 | |
| 605 | L | A | 0.0000 | |
| 606 | L | A | 1.0169 | |
| 607 | A | A | 0.2539 | |
| 608 | G | A | -0.0640 | |
| 609 | S | A | 0.0000 | |
| 610 | G | A | -0.8997 | |
| 611 | S | A | -1.1273 | |
| 612 | E | A | 0.0000 | |
| 613 | R | A | -3.4266 | |
| 614 | S | A | 0.0000 | |
| 615 | K | A | -2.8277 | |
| 616 | P | A | -1.6590 | |
| 617 | N | A | 0.0000 | |
| 618 | N | A | 0.0000 | |
| 619 | P | A | 0.0000 | |
| 620 | A | A | -0.0234 | |
| 621 | Q | A | 0.3075 | |
| 622 | Y | A | 1.3659 | |
| 623 | P | A | 0.7209 | |
| 624 | A | A | 1.0143 | |
| 625 | F | A | 1.5573 | |
| 626 | S | A | 0.0000 | |
| 627 | V | A | 0.7111 | |
| 628 | T | A | 0.0000 | |
| 629 | N | A | 0.0000 | |
| 630 | P | A | 0.0000 | |
| 631 | G | A | -0.6796 | |
| 632 | G | A | -0.5226 | |
| 633 | S | A | -0.4837 | |
| 634 | G | A | -0.3767 | |
| 635 | E | A | -0.5811 | |
| 636 | L | A | 0.0000 | |
| 637 | D | A | 0.0000 | |
| 638 | L | A | 0.0000 | |
| 639 | S | A | 0.0000 | |
| 640 | N | A | -1.6019 | |
| 641 | N | A | -1.6643 | |
| 642 | C | A | -1.4213 | |
| 643 | L | A | 0.0000 | |
| 644 | G | A | -1.5259 | |
| 645 | D | A | -1.4749 | |
| 646 | A | A | -1.1322 | |
| 647 | G | A | 0.0000 | |
| 648 | I | A | 0.0000 | |
| 649 | L | A | -0.9835 | |
| 650 | Q | A | -1.4700 | |
| 651 | L | A | 0.0000 | |
| 652 | V | A | 0.0000 | |
| 653 | E | A | -1.9375 | |
| 654 | S | A | 0.0000 | |
| 655 | V | A | 0.0000 | |
| 656 | R | A | -1.7971 | |
| 657 | G | A | -1.3024 | |
| 658 | S | A | 0.0000 | |
| 659 | G | A | -2.0157 | |
| 660 | S | A | 0.0000 | |
| 661 | E | A | -3.2843 | |
| 662 | R | A | -2.9382 | |
| 663 | S | A | -1.4064 | |
| 664 | K | A | 0.0000 | |
| 665 | P | A | -0.4793 | |
| 666 | N | A | 0.0000 | |
| 667 | N | A | -0.1707 | |
| 668 | P | A | -0.1177 | |
| 669 | A | A | -0.1452 | |
| 670 | Q | A | -0.3598 | |
| 671 | Y | A | 1.0578 | |
| 672 | P | A | 0.9681 | |
| 673 | A | A | 0.6393 | |
| 674 | F | A | 1.0186 | |
| 675 | S | A | 0.0000 | |
| 676 | V | A | -0.3732 | |
| 677 | T | A | 0.0000 | |
| 678 | N | A | 0.0000 | |
| 679 | P | A | 0.0000 | |
| 680 | G | A | 0.0000 | |
| 681 | G | A | 0.0000 | |
| 682 | S | A | 0.0000 | |
| 683 | G | A | 0.0000 | |
| 684 | Q | A | -0.4826 | |
| 685 | L | A | 0.0000 | |
| 686 | V | A | -0.1942 | |
| 687 | L | A | 0.0000 | |
| 688 | Y | A | -0.8666 | |
| 689 | D | A | -1.3335 | |
| 690 | I | A | 0.0000 | |
| 691 | Y | A | 0.1307 | |
| 692 | W | A | 0.0000 | |
| 693 | S | A | -1.9858 | |
| 694 | E | A | -3.3258 | |
| 695 | E | A | -3.8315 | |
| 696 | M | A | 0.0000 | |
| 697 | E | A | -3.0030 | |
| 698 | D | A | -4.0306 | |
| 699 | R | A | -3.4360 | |
| 700 | L | A | 0.0000 | |
| 701 | Q | A | -3.1482 | |
| 702 | A | A | -2.6911 | |
| 703 | L | A | 0.0000 | |
| 704 | E | A | -3.0790 | |
| 705 | K | A | -3.3622 | |
| 706 | D | A | -3.2682 | |
| 707 | G | A | -2.2955 | |
| 708 | S | A | -1.8715 | |
| 709 | G | A | -1.9971 | |
| 710 | S | A | -1.7054 | |
| 711 | E | A | 0.0000 | |
| 712 | R | A | -3.3113 | |
| 713 | S | A | 0.0000 | |
| 714 | K | A | -3.0010 | |
| 715 | P | A | -1.7261 | |
| 716 | N | A | -1.9868 | |
| 717 | N | A | -1.5479 | |
| 718 | P | A | 0.0000 | |
| 719 | A | A | -1.8818 | |
| 720 | Q | A | -1.7403 | |
| 721 | Y | A | -0.8768 | |
| 722 | P | A | -0.5317 | |
| 723 | A | A | 0.0000 | |
| 724 | F | A | 0.0000 | |
| 725 | S | A | -1.0336 | |
| 726 | V | A | 0.0000 | |
| 727 | T | A | 0.0000 | |
| 728 | N | A | -0.6162 | |
| 729 | P | A | -0.8274 | |
| 730 | G | A | -0.7132 | |
| 731 | G | A | -1.0511 | |
| 732 | S | A | -1.0354 | |
| 733 | G | A | -1.4270 | |
| 734 | R | A | -1.9346 | |
| 735 | V | A | -0.8374 | |
| 736 | I | A | 0.0000 | |
| 737 | S | A | -1.0691 |
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, -0.7291 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_0 | -0.7291 | View | CSV | PDB |
| model_1 | -0.7528 | View | CSV | PDB |
| model_5 | -0.7611 | View | CSV | PDB |
| model_2 | -0.7715 | View | CSV | PDB |
| model_11 | -0.7795 | View | CSV | PDB |
| CABS_average | -0.7872 | View | CSV | PDB |
| model_6 | -0.7875 | View | CSV | PDB |
| model_10 | -0.7964 | View | CSV | PDB |
| model_8 | -0.8049 | View | CSV | PDB |
| model_4 | -0.8054 | View | CSV | PDB |
| model_7 | -0.8063 | View | CSV | PDB |
| model_9 | -0.8071 | View | CSV | PDB |
| model_3 | -0.8443 | View | CSV | PDB |
| input | -0.9416 | 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