Project name: C08_A6_EF_A2_EF_GSG
Status: done
Started: 2026-07-21 11:03:22
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGSPATKPNGQGLYPDFAGSGVRLDDCGLTEARCKDISSALRVGSGSPATKPNGQGLYPDFAGSGELNLRSNELGDVGVHCVLQGLQGSGSPATKPNGQGLYPDFAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGSPATKPNGQGLYPDFAGSGELHLSDNLLGDAGLQLLCEGLLGSGSPATKPNGQGLYPDFAGSGKLQLEYCSLSAASCEPLASVLRAGSGSPATKPNGQGLYPDFAGSGELTVSNNDINEAGVRVLCQGLKDGSGSPATKPNGQGLYPDFAGSGALKLESCGVTSDNCRDLCGIVASGSGSPATKPNGQGLYPDFAGSGELALGSNKLGDVGMAELCPGLLGSGDATQKPNTAKHPALEATQPGGSGTLWIWECGITAKGCGDLCRVLRAGSGDATQKPNTAKHPALEATQPGGSGELSLAGNELGDEGARLLCETLLGSGDATQKPNTAKHPALEATQPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGDATQKPNTAKHPALEATQPGGSGELQISNNRLEDAGVRELCQGLGGSGDATQKPNTAKHPALEATQPGGSGVLWLADCDVSDSSCSSLAATLLAGSGDATQKPNTAKHPALEATQPGGSGELDLSNNCLGDAGILQLVESVRGSGDATQKPNTAKHPALEATQPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGDATQKPNTAKHPALEATQPGGSGRVIS
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 (00:11:55)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:46:22)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:46:29)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:46:37)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:46:44)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:46:50)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:46:57)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:47:06)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:47:13)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:47:21)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:47:30)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:47:38)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:47:44)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:47:52)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:48:10)
[INFO] Main: Simulation completed successfully. (02:48:18)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -4.4487
- Maximal score value
- 1.5144
- Average score
- -0.7637
- Total score value
- -575.0561
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 | -0.4936 | |
| 2 | L | A | -0.6221 | |
| 3 | D | A | -1.0678 | |
| 4 | I | A | 0.7454 | |
| 5 | Q | A | -0.7289 | |
| 6 | S | A | -0.7641 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -1.4179 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.6124 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.2616 | |
| 13 | E | A | -2.7948 | |
| 14 | L | A | -1.1203 | |
| 15 | S | A | -0.9407 | |
| 16 | D | A | -1.5960 | |
| 17 | A | A | -1.1596 | |
| 18 | R | A | -1.7526 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -0.4479 | |
| 21 | E | A | -0.5405 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.2488 | |
| 24 | P | A | -0.1023 | |
| 25 | L | A | 1.0754 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.0616 | |
| 28 | G | A | -0.7343 | |
| 29 | S | A | -0.5567 | |
| 30 | G | A | -0.3423 | |
| 31 | S | A | 0.0111 | |
| 32 | P | A | -0.4548 | |
| 33 | A | A | -0.0163 | |
| 34 | T | A | -0.2550 | |
| 35 | K | A | -1.2210 | |
| 36 | P | A | 0.0000 | |
| 37 | N | A | -2.1232 | |
| 38 | G | A | -1.5756 | |
| 39 | Q | A | -1.2287 | |
| 40 | G | A | -0.4264 | |
| 41 | L | A | 0.0112 | |
| 42 | Y | A | 0.0436 | |
| 43 | P | A | 0.0182 | |
| 44 | D | A | 0.0000 | |
| 45 | F | A | 1.3989 | |
| 46 | A | A | 0.4717 | |
| 47 | G | A | -0.4777 | |
| 48 | S | A | -0.3676 | |
| 49 | G | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | R | A | -1.6991 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -2.1841 | |
| 54 | D | A | -2.9084 | |
| 55 | C | A | -2.0343 | |
| 56 | G | A | -1.6249 | |
| 57 | L | A | 0.0000 | |
| 58 | T | A | -1.2657 | |
| 59 | E | A | -2.0197 | |
| 60 | A | A | -1.4157 | |
| 61 | R | A | 0.0000 | |
| 62 | C | A | 0.0000 | |
| 63 | K | A | -2.2571 | |
| 64 | D | A | -1.8810 | |
| 65 | I | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | S | A | -1.3436 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | R | A | -1.5817 | |
| 71 | V | A | -0.9430 | |
| 72 | G | A | -0.6787 | |
| 73 | S | A | 0.0000 | |
| 74 | G | A | -0.1570 | |
| 75 | S | A | 0.0000 | |
| 76 | P | A | -0.4576 | |
| 77 | A | A | 0.0000 | |
| 78 | T | A | -1.2270 | |
| 79 | K | A | -1.8781 | |
| 80 | P | A | 0.0000 | |
| 81 | N | A | -2.0711 | |
| 82 | G | A | -1.8185 | |
| 83 | Q | A | 0.0000 | |
| 84 | G | A | -0.4420 | |
| 85 | L | A | 0.5032 | |
| 86 | Y | A | 0.4859 | |
| 87 | P | A | 0.0000 | |
| 88 | D | A | -1.5096 | |
| 89 | F | A | 0.0000 | |
| 90 | A | A | -0.0290 | |
| 91 | G | A | -0.1030 | |
| 92 | S | A | -0.5089 | |
| 93 | G | A | -0.8556 | |
| 94 | E | A | -0.9900 | |
| 95 | L | A | 0.0000 | |
| 96 | N | A | -1.1238 | |
| 97 | L | A | 0.0000 | |
| 98 | R | A | -2.2403 | |
| 99 | S | A | -1.6776 | |
| 100 | N | A | 0.0000 | |
| 101 | E | A | -2.1981 | |
| 102 | L | A | 0.0000 | |
| 103 | G | A | -1.0976 | |
| 104 | D | A | -1.3923 | |
| 105 | V | A | 0.0537 | |
| 106 | G | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | H | A | -1.0445 | |
| 109 | C | A | -0.9942 | |
| 110 | V | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | Q | A | -0.9589 | |
| 113 | G | A | 0.0000 | |
| 114 | L | A | -0.5361 | |
| 115 | Q | A | -0.8676 | |
| 116 | G | A | -0.7709 | |
| 117 | S | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | S | A | -0.4602 | |
| 120 | P | A | -0.4012 | |
| 121 | A | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | K | A | -1.3993 | |
| 124 | P | A | -1.5480 | |
| 125 | N | A | -1.9800 | |
| 126 | G | A | -1.6089 | |
| 127 | Q | A | -1.8880 | |
| 128 | G | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | Y | A | 0.0000 | |
| 131 | P | A | 0.0000 | |
| 132 | D | A | -1.0892 | |
| 133 | F | A | 0.0000 | |
| 134 | A | A | -0.7012 | |
| 135 | G | A | -0.4414 | |
| 136 | S | A | -0.8238 | |
| 137 | G | A | -1.1591 | |
| 138 | K | A | -1.6658 | |
| 139 | L | A | -0.8411 | |
| 140 | S | A | -0.9767 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.1994 | |
| 143 | N | A | -1.0055 | |
| 144 | C | A | 0.0000 | |
| 145 | C | A | -0.2097 | |
| 146 | L | A | -0.0915 | |
| 147 | T | A | 0.4681 | |
| 148 | G | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | G | A | -0.4658 | |
| 151 | C | A | -0.2428 | |
| 152 | G | A | -0.5006 | |
| 153 | V | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | S | A | -0.9286 | |
| 157 | T | A | 0.0000 | |
| 158 | L | A | -0.8551 | |
| 159 | R | A | -2.0334 | |
| 160 | T | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | G | A | -1.0904 | |
| 164 | S | A | -0.5601 | |
| 165 | P | A | -0.3592 | |
| 166 | A | A | -0.7156 | |
| 167 | T | A | 0.0000 | |
| 168 | K | A | -2.3304 | |
| 169 | P | A | -1.7584 | |
| 170 | N | A | -1.6891 | |
| 171 | G | A | -0.8251 | |
| 172 | Q | A | 0.0000 | |
| 173 | G | A | -0.0890 | |
| 174 | L | A | 0.4812 | |
| 175 | Y | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | D | A | -1.2948 | |
| 178 | F | A | 0.0000 | |
| 179 | A | A | -0.2245 | |
| 180 | G | A | 0.0000 | |
| 181 | S | A | -0.7974 | |
| 182 | G | A | -1.1393 | |
| 183 | E | A | -1.6872 | |
| 184 | L | A | 0.0000 | |
| 185 | H | A | -0.8343 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | D | A | -0.0940 | |
| 189 | N | A | 0.0000 | |
| 190 | L | A | 1.5144 | |
| 191 | L | A | 0.0000 | |
| 192 | G | A | -0.1201 | |
| 193 | D | A | -0.9534 | |
| 194 | A | A | -0.3462 | |
| 195 | G | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | Q | A | -1.1321 | |
| 198 | L | A | -0.4097 | |
| 199 | L | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | E | A | -1.7975 | |
| 202 | G | A | 0.0000 | |
| 203 | L | A | -0.5174 | |
| 204 | L | A | -0.5931 | |
| 205 | G | A | -1.0245 | |
| 206 | S | A | -0.9466 | |
| 207 | G | A | -0.6118 | |
| 208 | S | A | 0.0000 | |
| 209 | P | A | -0.2710 | |
| 210 | A | A | 0.0000 | |
| 211 | T | A | -0.5058 | |
| 212 | K | A | -1.2737 | |
| 213 | P | A | -1.1673 | |
| 214 | N | A | -1.5202 | |
| 215 | G | A | -1.5437 | |
| 216 | Q | A | -1.6671 | |
| 217 | G | A | 0.0000 | |
| 218 | L | A | -0.6173 | |
| 219 | Y | A | -0.3143 | |
| 220 | P | A | 0.0000 | |
| 221 | D | A | -0.4165 | |
| 222 | F | A | -0.0643 | |
| 223 | A | A | -0.2555 | |
| 224 | G | A | -0.3382 | |
| 225 | S | A | -0.6783 | |
| 226 | G | A | -0.7946 | |
| 227 | K | A | -0.9872 | |
| 228 | L | A | -0.4330 | |
| 229 | Q | A | -0.5956 | |
| 230 | L | A | -0.0705 | |
| 231 | E | A | -0.5275 | |
| 232 | Y | A | 0.5044 | |
| 233 | C | A | 0.0000 | |
| 234 | S | A | -0.3262 | |
| 235 | L | A | 0.0000 | |
| 236 | S | A | -0.9761 | |
| 237 | A | A | -1.0661 | |
| 238 | A | A | -0.8118 | |
| 239 | S | A | 0.0000 | |
| 240 | C | A | 0.0000 | |
| 241 | E | A | -2.1552 | |
| 242 | P | A | -1.3442 | |
| 243 | L | A | -0.7212 | |
| 244 | A | A | -1.7007 | |
| 245 | S | A | -1.4536 | |
| 246 | V | A | 0.0000 | |
| 247 | L | A | -1.0997 | |
| 248 | R | A | -2.4889 | |
| 249 | A | A | -1.1214 | |
| 250 | G | A | -0.6670 | |
| 251 | S | A | -0.8246 | |
| 252 | G | A | -0.6922 | |
| 253 | S | A | -0.0984 | |
| 254 | P | A | -0.2376 | |
| 255 | A | A | -0.6611 | |
| 256 | T | A | -1.0779 | |
| 257 | K | A | -1.2281 | |
| 258 | P | A | -1.1432 | |
| 259 | N | A | -1.2051 | |
| 260 | G | A | -1.3472 | |
| 261 | Q | A | -1.2161 | |
| 262 | G | A | -0.8442 | |
| 263 | L | A | -0.2180 | |
| 264 | Y | A | 0.0000 | |
| 265 | P | A | 0.0000 | |
| 266 | D | A | -1.1180 | |
| 267 | F | A | 0.0000 | |
| 268 | A | A | -0.3640 | |
| 269 | G | A | -0.4492 | |
| 270 | S | A | -0.5679 | |
| 271 | G | A | -0.6406 | |
| 272 | E | A | 0.0000 | |
| 273 | L | A | 0.0455 | |
| 274 | T | A | -0.3328 | |
| 275 | V | A | 0.0000 | |
| 276 | S | A | -0.7604 | |
| 277 | N | A | 0.0000 | |
| 278 | N | A | -1.4469 | |
| 279 | D | A | -1.3723 | |
| 280 | I | A | 0.0000 | |
| 281 | N | A | -1.5154 | |
| 282 | E | A | -1.9336 | |
| 283 | A | A | -1.3469 | |
| 284 | G | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | R | A | -3.1348 | |
| 287 | V | A | -2.0159 | |
| 288 | L | A | 0.0000 | |
| 289 | C | A | 0.0000 | |
| 290 | Q | A | -2.8653 | |
| 291 | G | A | 0.0000 | |
| 292 | L | A | -1.5130 | |
| 293 | K | A | -2.3602 | |
| 294 | D | A | -3.0263 | |
| 295 | G | A | -2.0395 | |
| 296 | S | A | -1.0373 | |
| 297 | G | A | -0.7226 | |
| 298 | S | A | -0.4625 | |
| 299 | P | A | 0.0000 | |
| 300 | A | A | -0.3039 | |
| 301 | T | A | -0.8156 | |
| 302 | K | A | -1.1493 | |
| 303 | P | A | -1.4640 | |
| 304 | N | A | -2.2519 | |
| 305 | G | A | -1.4681 | |
| 306 | Q | A | 0.0000 | |
| 307 | G | A | -1.3868 | |
| 308 | L | A | 0.0000 | |
| 309 | Y | A | -0.1117 | |
| 310 | P | A | -0.1309 | |
| 311 | D | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | A | A | -0.0139 | |
| 314 | G | A | -0.3102 | |
| 315 | S | A | -0.5308 | |
| 316 | G | A | -0.7405 | |
| 317 | A | A | -0.5316 | |
| 318 | L | A | -0.2122 | |
| 319 | K | A | -0.4820 | |
| 320 | L | A | -0.3043 | |
| 321 | E | A | -1.1529 | |
| 322 | S | A | -1.3175 | |
| 323 | C | A | 0.0000 | |
| 324 | G | A | -1.4777 | |
| 325 | V | A | -1.2557 | |
| 326 | T | A | 0.0000 | |
| 327 | S | A | -1.3969 | |
| 328 | D | A | -2.7154 | |
| 329 | N | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | R | A | -2.7440 | |
| 332 | D | A | -2.3030 | |
| 333 | L | A | 0.0000 | |
| 334 | C | A | -0.6684 | |
| 335 | G | A | -0.8381 | |
| 336 | I | A | -0.7072 | |
| 337 | V | A | -0.2494 | |
| 338 | A | A | -0.0892 | |
| 339 | S | A | -0.5591 | |
| 340 | G | A | -0.5592 | |
| 341 | S | A | -0.6301 | |
| 342 | G | A | -0.5827 | |
| 343 | S | A | -0.0846 | |
| 344 | P | A | 0.0000 | |
| 345 | A | A | -0.2331 | |
| 346 | T | A | 0.0000 | |
| 347 | K | A | -2.1836 | |
| 348 | P | A | -1.8192 | |
| 349 | N | A | 0.0000 | |
| 350 | G | A | -1.3900 | |
| 351 | Q | A | 0.0000 | |
| 352 | G | A | -0.1607 | |
| 353 | L | A | 1.0723 | |
| 354 | Y | A | 0.8037 | |
| 355 | P | A | 0.3826 | |
| 356 | D | A | 0.3472 | |
| 357 | F | A | 0.9497 | |
| 358 | A | A | 0.2766 | |
| 359 | G | A | -0.4139 | |
| 360 | S | A | -0.8646 | |
| 361 | G | A | -0.9230 | |
| 362 | E | A | -0.8156 | |
| 363 | L | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | G | A | 0.0000 | |
| 367 | S | A | 0.0000 | |
| 368 | N | A | -2.4191 | |
| 369 | K | A | -2.4894 | |
| 370 | L | A | 0.0000 | |
| 371 | G | A | -0.4560 | |
| 372 | D | A | -0.1421 | |
| 373 | V | A | 0.6555 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | -0.5803 | |
| 377 | E | A | -1.1637 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | P | A | -0.5064 | |
| 381 | G | A | -0.2200 | |
| 382 | L | A | 0.0694 | |
| 383 | L | A | -0.0273 | |
| 384 | G | A | -0.3753 | |
| 385 | S | A | -0.8632 | |
| 386 | G | A | -1.5218 | |
| 387 | D | A | -2.1804 | |
| 388 | A | A | -1.5348 | |
| 389 | T | A | -0.8141 | |
| 390 | Q | A | -0.8419 | |
| 391 | K | A | -1.1330 | |
| 392 | P | A | 0.0000 | |
| 393 | N | A | 0.0000 | |
| 394 | T | A | -0.8148 | |
| 395 | A | A | -1.1327 | |
| 396 | K | A | -1.1684 | |
| 397 | H | A | 0.0000 | |
| 398 | P | A | -0.9806 | |
| 399 | A | A | -0.9098 | |
| 400 | L | A | 0.0000 | |
| 401 | E | A | -2.5584 | |
| 402 | A | A | 0.0000 | |
| 403 | T | A | -0.7124 | |
| 404 | Q | A | -0.4854 | |
| 405 | P | A | -0.3567 | |
| 406 | G | A | -0.6216 | |
| 407 | G | A | -0.7240 | |
| 408 | S | A | -0.8990 | |
| 409 | G | A | -1.2400 | |
| 410 | T | A | -0.6330 | |
| 411 | L | A | 0.0000 | |
| 412 | W | A | 0.0709 | |
| 413 | I | A | 0.0000 | |
| 414 | W | A | -0.5158 | |
| 415 | E | A | -2.3393 | |
| 416 | C | A | 0.0000 | |
| 417 | G | A | -1.8190 | |
| 418 | I | A | 0.0000 | |
| 419 | T | A | -1.2624 | |
| 420 | A | A | -2.0159 | |
| 421 | K | A | -1.9075 | |
| 422 | G | A | 0.0000 | |
| 423 | C | A | 0.0000 | |
| 424 | G | A | -1.4226 | |
| 425 | D | A | -1.1930 | |
| 426 | L | A | 0.0000 | |
| 427 | C | A | -1.5641 | |
| 428 | R | A | -2.2594 | |
| 429 | V | A | -1.2483 | |
| 430 | L | A | -1.3521 | |
| 431 | R | A | -2.6005 | |
| 432 | A | A | -1.6865 | |
| 433 | G | A | -1.6844 | |
| 434 | S | A | -1.3038 | |
| 435 | G | A | -1.3609 | |
| 436 | D | A | -1.0251 | |
| 437 | A | A | -0.8736 | |
| 438 | T | A | 0.0000 | |
| 439 | Q | A | -2.1621 | |
| 440 | K | A | 0.0000 | |
| 441 | P | A | -1.2640 | |
| 442 | N | A | 0.0000 | |
| 443 | T | A | -0.9407 | |
| 444 | A | A | -1.0325 | |
| 445 | K | A | -1.9657 | |
| 446 | H | A | 0.0000 | |
| 447 | P | A | -1.1592 | |
| 448 | A | A | -1.5072 | |
| 449 | L | A | 0.0000 | |
| 450 | E | A | -3.0119 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.2108 | |
| 453 | Q | A | 0.0000 | |
| 454 | P | A | 0.0000 | |
| 455 | G | A | -0.6467 | |
| 456 | G | A | -0.8309 | |
| 457 | S | A | -0.8615 | |
| 458 | G | A | -0.8044 | |
| 459 | E | A | -0.5773 | |
| 460 | L | A | 0.0000 | |
| 461 | S | A | 0.0000 | |
| 462 | L | A | 0.0000 | |
| 463 | A | A | 0.0000 | |
| 464 | G | A | -1.7301 | |
| 465 | N | A | -2.5091 | |
| 466 | E | A | -2.7745 | |
| 467 | L | A | 0.0000 | |
| 468 | G | A | -2.2690 | |
| 469 | D | A | -2.4310 | |
| 470 | E | A | -2.7232 | |
| 471 | G | A | 0.0000 | |
| 472 | A | A | 0.0000 | |
| 473 | R | A | -2.0011 | |
| 474 | L | A | -1.4712 | |
| 475 | L | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | E | A | -1.5081 | |
| 478 | T | A | -1.2051 | |
| 479 | L | A | -0.5329 | |
| 480 | L | A | -0.2751 | |
| 481 | G | A | -0.7870 | |
| 482 | S | A | -1.1100 | |
| 483 | G | A | -1.0810 | |
| 484 | D | A | -0.9924 | |
| 485 | A | A | 0.0000 | |
| 486 | T | A | -1.3454 | |
| 487 | Q | A | 0.0000 | |
| 488 | K | A | -2.9314 | |
| 489 | P | A | 0.0000 | |
| 490 | N | A | -2.1824 | |
| 491 | T | A | -1.0876 | |
| 492 | A | A | -1.0347 | |
| 493 | K | A | 0.0000 | |
| 494 | H | A | -1.9461 | |
| 495 | P | A | 0.0000 | |
| 496 | A | A | -1.2951 | |
| 497 | L | A | 0.0000 | |
| 498 | E | A | -2.7878 | |
| 499 | A | A | -1.7216 | |
| 500 | T | A | -1.0143 | |
| 501 | Q | A | 0.0000 | |
| 502 | P | A | 0.0000 | |
| 503 | G | A | -0.6007 | |
| 504 | G | A | -0.7045 | |
| 505 | S | A | -0.7119 | |
| 506 | G | A | -0.5978 | |
| 507 | S | A | -0.3630 | |
| 508 | L | A | 0.0000 | |
| 509 | W | A | 0.3080 | |
| 510 | V | A | 0.0000 | |
| 511 | K | A | -1.2940 | |
| 512 | S | A | -1.8103 | |
| 513 | C | A | 0.0000 | |
| 514 | S | A | -2.1311 | |
| 515 | F | A | 0.0000 | |
| 516 | T | A | -1.0706 | |
| 517 | A | A | -1.0451 | |
| 518 | A | A | -0.7737 | |
| 519 | C | A | 0.0000 | |
| 520 | C | A | 0.0000 | |
| 521 | S | A | -0.9661 | |
| 522 | H | A | -0.8759 | |
| 523 | F | A | 0.0000 | |
| 524 | S | A | 0.0000 | |
| 525 | S | A | -0.6988 | |
| 526 | V | A | 0.0000 | |
| 527 | L | A | -0.4691 | |
| 528 | A | A | -0.8084 | |
| 529 | Q | A | -1.1029 | |
| 530 | G | A | -1.0841 | |
| 531 | S | A | -0.9820 | |
| 532 | G | A | -0.9633 | |
| 533 | D | A | -1.2132 | |
| 534 | A | A | -0.9893 | |
| 535 | T | A | -1.3568 | |
| 536 | Q | A | -2.2255 | |
| 537 | K | A | -1.9917 | |
| 538 | P | A | -1.3053 | |
| 539 | N | A | 0.0000 | |
| 540 | T | A | -1.0142 | |
| 541 | A | A | 0.0000 | |
| 542 | K | A | -2.3118 | |
| 543 | H | A | -1.7006 | |
| 544 | P | A | -1.2415 | |
| 545 | A | A | -1.2747 | |
| 546 | L | A | 0.0000 | |
| 547 | E | A | -2.1585 | |
| 548 | A | A | 0.0000 | |
| 549 | T | A | -0.9534 | |
| 550 | Q | A | -0.7863 | |
| 551 | P | A | 0.0000 | |
| 552 | G | A | -0.6341 | |
| 553 | G | A | -0.7199 | |
| 554 | S | A | -0.6774 | |
| 555 | G | A | -0.7900 | |
| 556 | E | A | -0.4274 | |
| 557 | L | A | 0.2608 | |
| 558 | Q | A | 0.0000 | |
| 559 | I | A | 0.0000 | |
| 560 | S | A | 0.0000 | |
| 561 | N | A | -2.4620 | |
| 562 | N | A | -2.6273 | |
| 563 | R | A | -2.9491 | |
| 564 | L | A | 0.0000 | |
| 565 | E | A | -2.1850 | |
| 566 | D | A | -1.8545 | |
| 567 | A | A | -1.3385 | |
| 568 | G | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | R | A | -2.7344 | |
| 571 | E | A | -2.3766 | |
| 572 | L | A | 0.0000 | |
| 573 | C | A | 0.0000 | |
| 574 | Q | A | -2.0181 | |
| 575 | G | A | 0.0000 | |
| 576 | L | A | -0.8591 | |
| 577 | G | A | -0.7944 | |
| 578 | G | A | -0.7984 | |
| 579 | S | A | -0.7346 | |
| 580 | G | A | -1.0233 | |
| 581 | D | A | -1.1125 | |
| 582 | A | A | -0.8988 | |
| 583 | T | A | 0.0000 | |
| 584 | Q | A | -0.7553 | |
| 585 | K | A | 0.0000 | |
| 586 | P | A | 0.0000 | |
| 587 | N | A | 0.0000 | |
| 588 | T | A | 0.0000 | |
| 589 | A | A | -1.0316 | |
| 590 | K | A | -2.2260 | |
| 591 | H | A | -1.8139 | |
| 592 | P | A | -1.0512 | |
| 593 | A | A | -1.0063 | |
| 594 | L | A | 0.0000 | |
| 595 | E | A | -2.1487 | |
| 596 | A | A | 0.0000 | |
| 597 | T | A | -1.1038 | |
| 598 | Q | A | 0.0000 | |
| 599 | P | A | 0.0000 | |
| 600 | G | A | -0.8055 | |
| 601 | G | A | -0.6621 | |
| 602 | S | A | -0.7318 | |
| 603 | G | A | -0.6202 | |
| 604 | V | A | -0.2396 | |
| 605 | L | A | 0.2044 | |
| 606 | W | A | 0.3149 | |
| 607 | L | A | 0.0000 | |
| 608 | A | A | -1.4433 | |
| 609 | D | A | -2.8182 | |
| 610 | C | A | 0.0000 | |
| 611 | D | A | -1.9957 | |
| 612 | V | A | 0.0000 | |
| 613 | S | A | -0.6026 | |
| 614 | D | A | -0.9107 | |
| 615 | S | A | -0.8050 | |
| 616 | S | A | 0.0000 | |
| 617 | C | A | 0.0000 | |
| 618 | S | A | -0.5365 | |
| 619 | S | A | -0.8015 | |
| 620 | L | A | 0.0000 | |
| 621 | A | A | 0.1733 | |
| 622 | A | A | 0.3186 | |
| 623 | T | A | 0.0286 | |
| 624 | L | A | 0.6503 | |
| 625 | L | A | 1.0905 | |
| 626 | A | A | 0.3956 | |
| 627 | G | A | -0.0518 | |
| 628 | S | A | -0.2261 | |
| 629 | G | A | -0.2577 | |
| 630 | D | A | -0.4551 | |
| 631 | A | A | -0.4652 | |
| 632 | T | A | -0.8059 | |
| 633 | Q | A | 0.0000 | |
| 634 | K | A | -1.5147 | |
| 635 | P | A | -0.8874 | |
| 636 | N | A | 0.0000 | |
| 637 | T | A | 0.0000 | |
| 638 | A | A | -1.3958 | |
| 639 | K | A | -2.0617 | |
| 640 | H | A | 0.0000 | |
| 641 | P | A | -1.3740 | |
| 642 | A | A | -0.9912 | |
| 643 | L | A | 0.0000 | |
| 644 | E | A | -2.6543 | |
| 645 | A | A | 0.0000 | |
| 646 | T | A | -1.1549 | |
| 647 | Q | A | -1.1639 | |
| 648 | P | A | 0.0000 | |
| 649 | G | A | -0.7489 | |
| 650 | G | A | -0.7687 | |
| 651 | S | A | -0.7825 | |
| 652 | G | A | -0.9578 | |
| 653 | E | A | -1.0849 | |
| 654 | L | A | 0.0000 | |
| 655 | D | A | 0.0000 | |
| 656 | L | A | 0.0000 | |
| 657 | S | A | 0.0000 | |
| 658 | N | A | 0.0000 | |
| 659 | N | A | -0.6445 | |
| 660 | C | A | 0.4652 | |
| 661 | L | A | 0.0000 | |
| 662 | G | A | -0.3763 | |
| 663 | D | A | 0.0000 | |
| 664 | A | A | -0.2461 | |
| 665 | G | A | 0.0000 | |
| 666 | I | A | 0.0000 | |
| 667 | L | A | -0.9855 | |
| 668 | Q | A | -1.3518 | |
| 669 | L | A | 0.0000 | |
| 670 | V | A | 0.0000 | |
| 671 | E | A | -2.7882 | |
| 672 | S | A | -1.4211 | |
| 673 | V | A | -1.7551 | |
| 674 | R | A | -3.4338 | |
| 675 | G | A | -1.8722 | |
| 676 | S | A | -1.1974 | |
| 677 | G | A | -1.0985 | |
| 678 | D | A | -1.1387 | |
| 679 | A | A | -1.1247 | |
| 680 | T | A | -1.3222 | |
| 681 | Q | A | -2.0151 | |
| 682 | K | A | -1.7411 | |
| 683 | P | A | -1.2672 | |
| 684 | N | A | -1.3924 | |
| 685 | T | A | -1.0612 | |
| 686 | A | A | -0.9015 | |
| 687 | K | A | -1.7357 | |
| 688 | H | A | -1.6163 | |
| 689 | P | A | -1.0680 | |
| 690 | A | A | 0.0000 | |
| 691 | L | A | -1.0232 | |
| 692 | E | A | -1.8606 | |
| 693 | A | A | -1.2031 | |
| 694 | T | A | 0.0000 | |
| 695 | Q | A | -1.4087 | |
| 696 | P | A | 0.0000 | |
| 697 | G | A | -1.2119 | |
| 698 | G | A | -0.9930 | |
| 699 | S | A | -1.0879 | |
| 700 | G | A | 0.0000 | |
| 701 | Q | A | -1.1353 | |
| 702 | L | A | 0.0000 | |
| 703 | V | A | 0.2011 | |
| 704 | L | A | 0.0000 | |
| 705 | Y | A | 0.0181 | |
| 706 | D | A | -1.3576 | |
| 707 | I | A | 0.0000 | |
| 708 | Y | A | 0.9568 | |
| 709 | W | A | -0.1883 | |
| 710 | S | A | -1.7845 | |
| 711 | E | A | -3.5202 | |
| 712 | E | A | -4.0303 | |
| 713 | M | A | 0.0000 | |
| 714 | E | A | -3.5141 | |
| 715 | D | A | -4.4487 | |
| 716 | R | A | -4.3617 | |
| 717 | L | A | 0.0000 | |
| 718 | Q | A | -3.6518 | |
| 719 | A | A | -3.3250 | |
| 720 | L | A | 0.0000 | |
| 721 | E | A | -4.1564 | |
| 722 | K | A | -3.8731 | |
| 723 | D | A | -4.0034 | |
| 724 | G | A | -3.3659 | |
| 725 | S | A | 0.0000 | |
| 726 | G | A | -2.6631 | |
| 727 | D | A | -1.5923 | |
| 728 | A | A | -1.0491 | |
| 729 | T | A | -1.3038 | |
| 730 | Q | A | -1.8633 | |
| 731 | K | A | -1.8107 | |
| 732 | P | A | -1.0995 | |
| 733 | N | A | -0.9752 | |
| 734 | T | A | -0.4505 | |
| 735 | A | A | -0.2327 | |
| 736 | K | A | -0.6886 | |
| 737 | H | A | -0.6770 | |
| 738 | P | A | -0.4415 | |
| 739 | A | A | -0.2825 | |
| 740 | L | A | -0.2030 | |
| 741 | E | A | 0.0000 | |
| 742 | A | A | -0.6208 | |
| 743 | T | A | 0.0000 | |
| 744 | Q | A | -1.8406 | |
| 745 | P | A | 0.0000 | |
| 746 | G | A | -1.1326 | |
| 747 | G | A | -1.5298 | |
| 748 | S | A | -1.6165 | |
| 749 | G | A | 0.0000 | |
| 750 | R | A | -2.5608 | |
| 751 | V | A | -0.9827 | |
| 752 | I | A | 0.0443 | |
| 753 | S | A | -0.2129 |
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, -0.7637 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 | -0.7637 | View | CSV | PDB |
| model_6 | -0.7681 | View | CSV | PDB |
| model_8 | -0.7858 | View | CSV | PDB |
| model_7 | -0.7863 | View | CSV | PDB |
| model_3 | -0.793 | View | CSV | PDB |
| model_4 | -0.7984 | View | CSV | PDB |
| CABS_average | -0.821 | View | CSV | PDB |
| model_9 | -0.8276 | View | CSV | PDB |
| model_10 | -0.833 | View | CSV | PDB |
| model_2 | -0.8469 | View | CSV | PDB |
| model_5 | -0.8589 | View | CSV | PDB |
| model_1 | -0.8625 | View | CSV | PDB |
| model_11 | -0.9272 | View | CSV | PDB |
| input | -1.1183 | 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