Project name: C15_A2_EF_A4_EF_GSG
Status: done
Started: 2026-07-21 11:04:36
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGDATQKPNTAKHPALEATQPGGSGVRLDDCGLTEARCKDISSALRVGSGDATQKPNTAKHPALEATQPGGSGELNLRSNELGDVGVHCVLQGLQGSGDATQKPNTAKHPALEATQPGGSGKLSLQNCCLTGAGCGVLSSTLRTGSGDATQKPNTAKHPALEATQPGGSGELHLSDNLLGDAGLQLLCEGLLGSGDATQKPNTAKHPALEATQPGGSGKLQLEYCSLSAASCEPLASVLRAGSGDATQKPNTAKHPALEATQPGGSGELTVSNNDINEAGVRVLCQGLKDGSGDATQKPNTAKHPALEATQPGGSGALKLESCGVTSDNCRDLCGIVASGSGDATQKPNTAKHPALEATQPGGSGELALGSNKLGDVGMAELCPGLLGSGSERSKPNNPAQYPAFSVTNPGGSGTLWIWECGITAKGCGDLCRVLRAGSGSERSKPNNPAQYPAFSVTNPGGSGELSLAGNELGDEGARLLCETLLGSGSERSKPNNPAQYPAFSVTNPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGSERSKPNNPAQYPAFSVTNPGGSGELQISNNRLEDAGVRELCQGLGGSGSERSKPNNPAQYPAFSVTNPGGSGVLWLADCDVSDSSCSSLAATLLAGSGSERSKPNNPAQYPAFSVTNPGGSGELDLSNNCLGDAGILQLVESVRGSGSERSKPNNPAQYPAFSVTNPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGSERSKPNNPAQYPAFSVTNPGGSGRVIS
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] CABS: Running CABS flex simulation (00:08:49)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:52:35)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:52:41)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:52:46)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:52:52)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:52:58)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:53:03)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:53:09)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:53:14)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:53:20)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:53:25)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:53:31)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:53:36)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:53:42)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:53:55)
[INFO] Main: Simulation completed successfully. (02:54:01)
|
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
- -3.7146
- Maximal score value
- 3.0455
- Average score
- -0.7947
- Total score value
- -630.2266
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 | -0.5477 | |
| 2 | L | A | 0.3440 | |
| 3 | D | A | -0.6902 | |
| 4 | I | A | 0.9295 | |
| 5 | Q | A | -0.8250 | |
| 6 | S | A | -0.7461 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -0.8838 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.3743 | |
| 11 | C | A | -2.5735 | |
| 12 | E | A | -2.9754 | |
| 13 | E | A | -3.1834 | |
| 14 | L | A | -2.4386 | |
| 15 | S | A | -2.3158 | |
| 16 | D | A | -2.6955 | |
| 17 | A | A | -1.9426 | |
| 18 | R | A | -2.8365 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.7788 | |
| 21 | E | A | -2.3799 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.5832 | |
| 24 | P | A | -0.4433 | |
| 25 | L | A | 0.4867 | |
| 26 | L | A | 0.1917 | |
| 27 | Q | A | -0.6552 | |
| 28 | G | A | -0.5106 | |
| 29 | S | A | -0.8651 | |
| 30 | G | A | -1.1931 | |
| 31 | D | A | -0.9259 | |
| 32 | A | A | -0.8464 | |
| 33 | T | A | -0.9275 | |
| 34 | Q | A | -1.7653 | |
| 35 | K | A | -2.5915 | |
| 36 | P | A | -2.1885 | |
| 37 | N | A | -2.0669 | |
| 38 | T | A | -2.1883 | |
| 39 | A | A | -1.5872 | |
| 40 | K | A | -2.3401 | |
| 41 | H | A | -1.9055 | |
| 42 | P | A | -2.0022 | |
| 43 | A | A | -1.6522 | |
| 44 | L | A | 0.0000 | |
| 45 | E | A | -1.9052 | |
| 46 | A | A | -1.2915 | |
| 47 | T | A | -0.6189 | |
| 48 | Q | A | 0.0000 | |
| 49 | P | A | -0.8799 | |
| 50 | G | A | -1.1566 | |
| 51 | G | A | -1.3355 | |
| 52 | S | A | -0.9339 | |
| 53 | G | A | -1.0065 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -1.9632 | |
| 56 | L | A | 0.0000 | |
| 57 | D | A | -2.3452 | |
| 58 | D | A | -2.5137 | |
| 59 | C | A | -1.9513 | |
| 60 | G | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | T | A | -1.3017 | |
| 63 | E | A | -1.6093 | |
| 64 | A | A | -1.6424 | |
| 65 | R | A | -1.7397 | |
| 66 | C | A | 0.0000 | |
| 67 | K | A | -2.5641 | |
| 68 | D | A | -1.7980 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | -1.5715 | |
| 71 | S | A | -1.4041 | |
| 72 | A | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | R | A | -2.2558 | |
| 75 | V | A | -1.0920 | |
| 76 | G | A | -1.3209 | |
| 77 | S | A | 0.0000 | |
| 78 | G | A | -1.4735 | |
| 79 | D | A | -1.0129 | |
| 80 | A | A | -1.0110 | |
| 81 | T | A | -1.6558 | |
| 82 | Q | A | -2.4825 | |
| 83 | K | A | -2.9280 | |
| 84 | P | A | 0.0000 | |
| 85 | N | A | -2.0867 | |
| 86 | T | A | -1.4686 | |
| 87 | A | A | 0.0000 | |
| 88 | K | A | -2.4645 | |
| 89 | H | A | -2.0034 | |
| 90 | P | A | -1.0510 | |
| 91 | A | A | -1.3174 | |
| 92 | L | A | 0.0000 | |
| 93 | E | A | -1.8698 | |
| 94 | A | A | 0.0000 | |
| 95 | T | A | -0.7883 | |
| 96 | Q | A | 0.0000 | |
| 97 | P | A | 0.0000 | |
| 98 | G | A | -0.9815 | |
| 99 | G | A | -1.2425 | |
| 100 | S | A | -1.2745 | |
| 101 | G | A | -1.2434 | |
| 102 | E | A | -2.0818 | |
| 103 | L | A | 0.0000 | |
| 104 | N | A | -1.3720 | |
| 105 | L | A | 0.0000 | |
| 106 | R | A | -2.1158 | |
| 107 | S | A | -2.0018 | |
| 108 | N | A | -2.3707 | |
| 109 | E | A | -2.5613 | |
| 110 | L | A | -1.3034 | |
| 111 | G | A | -0.4157 | |
| 112 | D | A | 0.0294 | |
| 113 | V | A | 1.2157 | |
| 114 | G | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | H | A | -0.4685 | |
| 117 | C | A | -0.7943 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | Q | A | -1.9288 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | -0.9669 | |
| 123 | Q | A | -1.8241 | |
| 124 | G | A | -1.7693 | |
| 125 | S | A | -1.4918 | |
| 126 | G | A | -1.3093 | |
| 127 | D | A | -1.0162 | |
| 128 | A | A | -0.5966 | |
| 129 | T | A | -0.2908 | |
| 130 | Q | A | 0.0000 | |
| 131 | K | A | 0.0000 | |
| 132 | P | A | -1.2520 | |
| 133 | N | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | A | A | -2.0385 | |
| 136 | K | A | -2.7145 | |
| 137 | H | A | -2.0124 | |
| 138 | P | A | 0.0000 | |
| 139 | A | A | -0.8246 | |
| 140 | L | A | 0.0000 | |
| 141 | E | A | -1.5347 | |
| 142 | A | A | 0.0000 | |
| 143 | T | A | -0.6486 | |
| 144 | Q | A | 0.0000 | |
| 145 | P | A | -0.5101 | |
| 146 | G | A | -0.8184 | |
| 147 | G | A | -0.9062 | |
| 148 | S | A | -1.1079 | |
| 149 | G | A | -1.1203 | |
| 150 | K | A | -1.1445 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.2436 | |
| 155 | N | A | -1.7388 | |
| 156 | C | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | T | A | -0.1594 | |
| 160 | G | A | -0.3244 | |
| 161 | A | A | -0.0381 | |
| 162 | G | A | 0.0000 | |
| 163 | C | A | 0.0000 | |
| 164 | G | A | -0.3402 | |
| 165 | V | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | S | A | -0.6712 | |
| 168 | S | A | -1.1351 | |
| 169 | T | A | 0.0000 | |
| 170 | L | A | -1.1485 | |
| 171 | R | A | -2.2659 | |
| 172 | T | A | -1.5531 | |
| 173 | G | A | -1.5386 | |
| 174 | S | A | -1.3675 | |
| 175 | G | A | -1.5497 | |
| 176 | D | A | -1.2155 | |
| 177 | A | A | -0.9997 | |
| 178 | T | A | -0.9272 | |
| 179 | Q | A | 0.0000 | |
| 180 | K | A | -1.8568 | |
| 181 | P | A | -1.9995 | |
| 182 | N | A | -1.8749 | |
| 183 | T | A | -1.3210 | |
| 184 | A | A | -1.7627 | |
| 185 | K | A | -2.6102 | |
| 186 | H | A | -2.2549 | |
| 187 | P | A | 0.0000 | |
| 188 | A | A | -0.5782 | |
| 189 | L | A | 0.0000 | |
| 190 | E | A | -0.9713 | |
| 191 | A | A | 0.0000 | |
| 192 | T | A | 0.0000 | |
| 193 | Q | A | -0.5065 | |
| 194 | P | A | -0.7089 | |
| 195 | G | A | -0.8689 | |
| 196 | G | A | -0.9880 | |
| 197 | S | A | -1.1423 | |
| 198 | G | A | -0.9287 | |
| 199 | E | A | -0.8399 | |
| 200 | L | A | -0.1082 | |
| 201 | H | A | -0.4182 | |
| 202 | L | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | D | A | -0.7918 | |
| 205 | N | A | -0.7779 | |
| 206 | L | A | 0.5492 | |
| 207 | L | A | 0.0000 | |
| 208 | G | A | -0.4224 | |
| 209 | D | A | -0.9351 | |
| 210 | A | A | -0.5337 | |
| 211 | G | A | -0.5303 | |
| 212 | L | A | 0.0000 | |
| 213 | Q | A | -0.9985 | |
| 214 | L | A | -0.2475 | |
| 215 | L | A | 0.0000 | |
| 216 | C | A | 0.0000 | |
| 217 | E | A | -1.1641 | |
| 218 | G | A | 0.0000 | |
| 219 | L | A | -0.1631 | |
| 220 | L | A | 0.1336 | |
| 221 | G | A | -0.7878 | |
| 222 | S | A | -0.8798 | |
| 223 | G | A | -0.6928 | |
| 224 | D | A | -1.2190 | |
| 225 | A | A | -1.1007 | |
| 226 | T | A | 0.0000 | |
| 227 | Q | A | -1.4341 | |
| 228 | K | A | 0.0000 | |
| 229 | P | A | -0.6796 | |
| 230 | N | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | -2.4092 | |
| 233 | K | A | -2.7437 | |
| 234 | H | A | -2.0474 | |
| 235 | P | A | -0.8480 | |
| 236 | A | A | 0.0000 | |
| 237 | L | A | 0.8971 | |
| 238 | E | A | 0.0000 | |
| 239 | A | A | -0.6011 | |
| 240 | T | A | 0.0000 | |
| 241 | Q | A | -1.3262 | |
| 242 | P | A | 0.0000 | |
| 243 | G | A | -1.0701 | |
| 244 | G | A | -1.3102 | |
| 245 | S | A | -1.3586 | |
| 246 | G | A | -1.0633 | |
| 247 | K | A | -0.7592 | |
| 248 | L | A | -0.1793 | |
| 249 | Q | A | -0.2661 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -0.2545 | |
| 252 | Y | A | 0.3607 | |
| 253 | C | A | 0.0000 | |
| 254 | S | A | -0.6179 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | -1.2255 | |
| 257 | A | A | -1.0976 | |
| 258 | A | A | -0.7109 | |
| 259 | S | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.5409 | |
| 262 | P | A | -0.9147 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | S | A | -1.0041 | |
| 266 | V | A | -0.3923 | |
| 267 | L | A | -1.1881 | |
| 268 | R | A | -2.7111 | |
| 269 | A | A | -1.0611 | |
| 270 | G | A | -1.3199 | |
| 271 | S | A | -1.1136 | |
| 272 | G | A | -1.0942 | |
| 273 | D | A | -1.0208 | |
| 274 | A | A | -0.6114 | |
| 275 | T | A | 0.0000 | |
| 276 | Q | A | -1.0501 | |
| 277 | K | A | 0.0000 | |
| 278 | P | A | -0.5091 | |
| 279 | N | A | 0.0000 | |
| 280 | T | A | -0.9322 | |
| 281 | A | A | -0.4980 | |
| 282 | K | A | -1.0405 | |
| 283 | H | A | -1.4393 | |
| 284 | P | A | -0.9692 | |
| 285 | A | A | -0.5847 | |
| 286 | L | A | -0.0084 | |
| 287 | E | A | -0.5547 | |
| 288 | A | A | -0.7558 | |
| 289 | T | A | -1.1315 | |
| 290 | Q | A | -1.8666 | |
| 291 | P | A | -1.3283 | |
| 292 | G | A | -1.2605 | |
| 293 | G | A | -1.2820 | |
| 294 | S | A | -1.0570 | |
| 295 | G | A | -1.1902 | |
| 296 | E | A | -0.7111 | |
| 297 | L | A | -0.1498 | |
| 298 | T | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | N | A | -1.0491 | |
| 302 | N | A | 0.0000 | |
| 303 | D | A | -2.4164 | |
| 304 | I | A | 0.0000 | |
| 305 | N | A | -2.2188 | |
| 306 | E | A | -2.2943 | |
| 307 | A | A | -1.0860 | |
| 308 | G | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | R | A | -2.1090 | |
| 311 | V | A | -1.1418 | |
| 312 | L | A | 0.0000 | |
| 313 | C | A | 0.0000 | |
| 314 | Q | A | -2.7713 | |
| 315 | G | A | 0.0000 | |
| 316 | L | A | -2.1119 | |
| 317 | K | A | -3.3976 | |
| 318 | D | A | -3.5654 | |
| 319 | G | A | -2.6985 | |
| 320 | S | A | -2.0099 | |
| 321 | G | A | -1.8679 | |
| 322 | D | A | -1.3942 | |
| 323 | A | A | 0.0000 | |
| 324 | T | A | -1.3621 | |
| 325 | Q | A | -2.0458 | |
| 326 | K | A | -2.9747 | |
| 327 | P | A | -2.2611 | |
| 328 | N | A | -2.1298 | |
| 329 | T | A | -1.1295 | |
| 330 | A | A | -1.0115 | |
| 331 | K | A | -1.3022 | |
| 332 | H | A | -1.7846 | |
| 333 | P | A | -1.0255 | |
| 334 | A | A | 0.0807 | |
| 335 | L | A | 0.8818 | |
| 336 | E | A | 0.0000 | |
| 337 | A | A | -0.0614 | |
| 338 | T | A | -0.2668 | |
| 339 | Q | A | -1.0294 | |
| 340 | P | A | -1.1052 | |
| 341 | G | A | -1.3565 | |
| 342 | G | A | -1.1206 | |
| 343 | S | A | -0.7865 | |
| 344 | G | A | -0.8035 | |
| 345 | A | A | -0.3966 | |
| 346 | L | A | 0.0000 | |
| 347 | K | A | -0.4465 | |
| 348 | L | A | 0.0000 | |
| 349 | E | A | -1.2027 | |
| 350 | S | A | -1.5105 | |
| 351 | C | A | 0.0000 | |
| 352 | G | A | -1.8306 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | -1.4526 | |
| 355 | S | A | -1.4873 | |
| 356 | D | A | -2.8844 | |
| 357 | N | A | 0.0000 | |
| 358 | C | A | 0.0000 | |
| 359 | R | A | -2.7660 | |
| 360 | D | A | -2.3290 | |
| 361 | L | A | 0.0000 | |
| 362 | C | A | 0.0000 | |
| 363 | G | A | -1.2616 | |
| 364 | I | A | 0.0000 | |
| 365 | V | A | -0.4741 | |
| 366 | A | A | -0.4573 | |
| 367 | S | A | -1.1728 | |
| 368 | G | A | -0.9223 | |
| 369 | S | A | -0.7844 | |
| 370 | G | A | -1.0793 | |
| 371 | D | A | -1.2280 | |
| 372 | A | A | 0.0000 | |
| 373 | T | A | -1.4657 | |
| 374 | Q | A | 0.0000 | |
| 375 | K | A | -3.0277 | |
| 376 | P | A | 0.0000 | |
| 377 | N | A | -2.7492 | |
| 378 | T | A | -2.1746 | |
| 379 | A | A | -1.3576 | |
| 380 | K | A | -2.7083 | |
| 381 | H | A | -2.4601 | |
| 382 | P | A | -1.7668 | |
| 383 | A | A | -1.3005 | |
| 384 | L | A | 0.0000 | |
| 385 | E | A | -2.4428 | |
| 386 | A | A | 0.0000 | |
| 387 | T | A | -1.0003 | |
| 388 | Q | A | -1.0357 | |
| 389 | P | A | -1.2087 | |
| 390 | G | A | -1.1827 | |
| 391 | G | A | -1.0542 | |
| 392 | S | A | -0.8405 | |
| 393 | G | A | -0.5147 | |
| 394 | E | A | -0.4959 | |
| 395 | L | A | 0.0342 | |
| 396 | A | A | 0.0278 | |
| 397 | L | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | N | A | -2.5034 | |
| 401 | K | A | -2.8767 | |
| 402 | L | A | 0.0000 | |
| 403 | G | A | -0.8034 | |
| 404 | D | A | -0.7433 | |
| 405 | V | A | 0.6978 | |
| 406 | G | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | A | A | -0.4368 | |
| 409 | E | A | -1.1480 | |
| 410 | L | A | 0.0000 | |
| 411 | C | A | 0.0000 | |
| 412 | P | A | -0.4519 | |
| 413 | G | A | 0.0000 | |
| 414 | L | A | 0.2524 | |
| 415 | L | A | -0.2368 | |
| 416 | G | A | -0.3103 | |
| 417 | S | A | -0.5987 | |
| 418 | G | A | -1.0163 | |
| 419 | S | A | -1.2130 | |
| 420 | E | A | -1.8458 | |
| 421 | R | A | -1.5548 | |
| 422 | S | A | -1.4836 | |
| 423 | K | A | -2.3145 | |
| 424 | P | A | -1.9123 | |
| 425 | N | A | -1.8859 | |
| 426 | N | A | -1.8513 | |
| 427 | P | A | -1.2085 | |
| 428 | A | A | -0.5724 | |
| 429 | Q | A | 0.0000 | |
| 430 | Y | A | 1.0844 | |
| 431 | P | A | 1.2035 | |
| 432 | A | A | 1.2717 | |
| 433 | F | A | 2.3611 | |
| 434 | S | A | 1.8214 | |
| 435 | V | A | 1.8991 | |
| 436 | T | A | 0.0977 | |
| 437 | N | A | -1.0013 | |
| 438 | P | A | -0.9811 | |
| 439 | G | A | -1.0672 | |
| 440 | G | A | -1.0408 | |
| 441 | S | A | -0.9190 | |
| 442 | G | A | -0.8014 | |
| 443 | T | A | -0.6075 | |
| 444 | L | A | 0.0359 | |
| 445 | W | A | 0.0994 | |
| 446 | I | A | 0.0000 | |
| 447 | W | A | -0.7140 | |
| 448 | E | A | -2.1205 | |
| 449 | C | A | 0.0000 | |
| 450 | G | A | -1.7830 | |
| 451 | I | A | 0.0000 | |
| 452 | T | A | -1.5567 | |
| 453 | A | A | -1.6282 | |
| 454 | K | A | -1.9286 | |
| 455 | G | A | 0.0000 | |
| 456 | C | A | 0.0000 | |
| 457 | G | A | -1.5744 | |
| 458 | D | A | -1.6485 | |
| 459 | L | A | -0.8564 | |
| 460 | C | A | 0.0000 | |
| 461 | R | A | -2.3026 | |
| 462 | V | A | 0.0000 | |
| 463 | L | A | -1.2190 | |
| 464 | R | A | -2.5487 | |
| 465 | A | A | -1.5402 | |
| 466 | G | A | -1.4152 | |
| 467 | S | A | -1.8138 | |
| 468 | G | A | -1.9630 | |
| 469 | S | A | 0.0000 | |
| 470 | E | A | -2.7896 | |
| 471 | R | A | -2.1010 | |
| 472 | S | A | -1.5601 | |
| 473 | K | A | -1.5105 | |
| 474 | P | A | -1.4981 | |
| 475 | N | A | 0.0000 | |
| 476 | N | A | -1.4938 | |
| 477 | P | A | -0.8267 | |
| 478 | A | A | -0.4529 | |
| 479 | Q | A | -0.6181 | |
| 480 | Y | A | 0.0000 | |
| 481 | P | A | 0.5858 | |
| 482 | A | A | 0.0000 | |
| 483 | F | A | 2.1380 | |
| 484 | S | A | 0.0000 | |
| 485 | V | A | 1.1386 | |
| 486 | T | A | 0.0000 | |
| 487 | N | A | -0.8229 | |
| 488 | P | A | 0.0000 | |
| 489 | G | A | -1.0459 | |
| 490 | G | A | -1.0541 | |
| 491 | S | A | -1.0691 | |
| 492 | G | A | -1.3021 | |
| 493 | E | A | -1.6538 | |
| 494 | L | A | -0.2315 | |
| 495 | S | A | -0.0410 | |
| 496 | L | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | G | A | -1.5825 | |
| 499 | N | A | 0.0000 | |
| 500 | E | A | -2.2482 | |
| 501 | L | A | 0.0000 | |
| 502 | G | A | -1.5941 | |
| 503 | D | A | -1.7285 | |
| 504 | E | A | -2.5005 | |
| 505 | G | A | 0.0000 | |
| 506 | A | A | 0.0000 | |
| 507 | R | A | -1.6580 | |
| 508 | L | A | -1.2280 | |
| 509 | L | A | -0.3803 | |
| 510 | C | A | -0.3446 | |
| 511 | E | A | -0.9112 | |
| 512 | T | A | 0.0000 | |
| 513 | L | A | 0.0683 | |
| 514 | L | A | 0.4843 | |
| 515 | G | A | -0.5768 | |
| 516 | S | A | -0.7646 | |
| 517 | G | A | -1.2431 | |
| 518 | S | A | -1.1887 | |
| 519 | E | A | -1.8519 | |
| 520 | R | A | -1.9383 | |
| 521 | S | A | 0.0000 | |
| 522 | K | A | -1.7204 | |
| 523 | P | A | -0.8666 | |
| 524 | N | A | -1.3675 | |
| 525 | N | A | -1.8579 | |
| 526 | P | A | -1.0430 | |
| 527 | A | A | -0.4021 | |
| 528 | Q | A | 0.0000 | |
| 529 | Y | A | 1.6043 | |
| 530 | P | A | 1.3438 | |
| 531 | A | A | 1.4173 | |
| 532 | F | A | 2.1534 | |
| 533 | S | A | 0.9848 | |
| 534 | V | A | 0.6829 | |
| 535 | T | A | 0.0000 | |
| 536 | N | A | -0.5508 | |
| 537 | P | A | -0.8798 | |
| 538 | G | A | -1.0564 | |
| 539 | G | A | -0.8566 | |
| 540 | S | A | -1.0042 | |
| 541 | G | A | -1.1381 | |
| 542 | S | A | -0.8896 | |
| 543 | L | A | 0.0000 | |
| 544 | W | A | -0.1128 | |
| 545 | V | A | 0.0000 | |
| 546 | K | A | -1.2728 | |
| 547 | S | A | -1.8147 | |
| 548 | C | A | 0.0000 | |
| 549 | S | A | -1.6411 | |
| 550 | F | A | 0.0000 | |
| 551 | T | A | -1.2823 | |
| 552 | A | A | -1.3750 | |
| 553 | A | A | -0.5695 | |
| 554 | C | A | 0.0000 | |
| 555 | C | A | 0.0000 | |
| 556 | S | A | -1.1003 | |
| 557 | H | A | -0.6233 | |
| 558 | F | A | 0.0000 | |
| 559 | S | A | -1.1071 | |
| 560 | S | A | -0.5180 | |
| 561 | V | A | 0.0000 | |
| 562 | L | A | -0.4564 | |
| 563 | A | A | -0.9245 | |
| 564 | Q | A | -1.2221 | |
| 565 | G | A | -1.1950 | |
| 566 | S | A | -0.8986 | |
| 567 | G | A | -0.9627 | |
| 568 | S | A | -1.0687 | |
| 569 | E | A | -1.3576 | |
| 570 | R | A | -0.8399 | |
| 571 | S | A | -0.6055 | |
| 572 | K | A | 0.0000 | |
| 573 | P | A | 0.0000 | |
| 574 | N | A | -0.6007 | |
| 575 | N | A | -0.6414 | |
| 576 | P | A | -0.2967 | |
| 577 | A | A | 0.0165 | |
| 578 | Q | A | -0.5884 | |
| 579 | Y | A | 0.7970 | |
| 580 | P | A | 1.0696 | |
| 581 | A | A | 0.7383 | |
| 582 | F | A | 1.4397 | |
| 583 | S | A | 0.8753 | |
| 584 | V | A | 0.8547 | |
| 585 | T | A | 0.0000 | |
| 586 | N | A | -0.7055 | |
| 587 | P | A | 0.0000 | |
| 588 | G | A | 0.0000 | |
| 589 | G | A | -1.0282 | |
| 590 | S | A | -0.8873 | |
| 591 | G | A | -0.8721 | |
| 592 | E | A | -0.7295 | |
| 593 | L | A | -0.0115 | |
| 594 | Q | A | -0.1322 | |
| 595 | I | A | 0.0000 | |
| 596 | S | A | 0.0000 | |
| 597 | N | A | -2.5581 | |
| 598 | N | A | -2.5217 | |
| 599 | R | A | -2.9395 | |
| 600 | L | A | 0.0000 | |
| 601 | E | A | -3.2922 | |
| 602 | D | A | -2.3066 | |
| 603 | A | A | -1.6426 | |
| 604 | G | A | 0.0000 | |
| 605 | V | A | 0.0000 | |
| 606 | R | A | -3.1083 | |
| 607 | E | A | -2.6642 | |
| 608 | L | A | 0.0000 | |
| 609 | C | A | 0.0000 | |
| 610 | Q | A | -2.0933 | |
| 611 | G | A | 0.0000 | |
| 612 | L | A | -0.8421 | |
| 613 | G | A | 0.0000 | |
| 614 | G | A | -1.0078 | |
| 615 | S | A | -1.0148 | |
| 616 | G | A | -1.1293 | |
| 617 | S | A | -1.0735 | |
| 618 | E | A | -1.1478 | |
| 619 | R | A | 0.0000 | |
| 620 | S | A | -1.3925 | |
| 621 | K | A | -1.3469 | |
| 622 | P | A | -1.0946 | |
| 623 | N | A | -1.4761 | |
| 624 | N | A | -1.1547 | |
| 625 | P | A | 0.0000 | |
| 626 | A | A | -0.6891 | |
| 627 | Q | A | -0.6678 | |
| 628 | Y | A | 0.8502 | |
| 629 | P | A | 1.0151 | |
| 630 | A | A | 0.0000 | |
| 631 | F | A | 2.4382 | |
| 632 | S | A | 1.5469 | |
| 633 | V | A | 1.0977 | |
| 634 | T | A | 0.0000 | |
| 635 | N | A | -0.5886 | |
| 636 | P | A | 0.0000 | |
| 637 | G | A | 0.0000 | |
| 638 | G | A | 0.0000 | |
| 639 | S | A | 0.0000 | |
| 640 | G | A | -0.5304 | |
| 641 | V | A | -0.3386 | |
| 642 | L | A | 0.0576 | |
| 643 | W | A | -0.1585 | |
| 644 | L | A | 0.0000 | |
| 645 | A | A | 0.0000 | |
| 646 | D | A | -3.2296 | |
| 647 | C | A | 0.0000 | |
| 648 | D | A | 0.0000 | |
| 649 | V | A | 0.0000 | |
| 650 | S | A | -1.5043 | |
| 651 | D | A | -1.5534 | |
| 652 | S | A | -1.2005 | |
| 653 | S | A | 0.0000 | |
| 654 | C | A | 0.0000 | |
| 655 | S | A | -0.9005 | |
| 656 | S | A | -0.9847 | |
| 657 | L | A | 0.0000 | |
| 658 | A | A | 0.0000 | |
| 659 | A | A | 0.2820 | |
| 660 | T | A | 0.0931 | |
| 661 | L | A | 0.9042 | |
| 662 | L | A | 1.3969 | |
| 663 | A | A | 0.5007 | |
| 664 | G | A | 0.2850 | |
| 665 | S | A | -0.2395 | |
| 666 | G | A | -0.6155 | |
| 667 | S | A | 0.0000 | |
| 668 | E | A | 0.0000 | |
| 669 | R | A | -2.8827 | |
| 670 | S | A | 0.0000 | |
| 671 | K | A | -2.1816 | |
| 672 | P | A | -1.6293 | |
| 673 | N | A | 0.0000 | |
| 674 | N | A | -1.7065 | |
| 675 | P | A | 0.0000 | |
| 676 | A | A | -0.3929 | |
| 677 | Q | A | -0.2029 | |
| 678 | Y | A | 0.9467 | |
| 679 | P | A | 1.2428 | |
| 680 | A | A | 0.0000 | |
| 681 | F | A | 3.0455 | |
| 682 | S | A | 0.0000 | |
| 683 | V | A | 1.9789 | |
| 684 | T | A | 0.0000 | |
| 685 | N | A | -0.2156 | |
| 686 | P | A | 0.0000 | |
| 687 | G | A | 0.0000 | |
| 688 | G | A | -0.6306 | |
| 689 | S | A | 0.0000 | |
| 690 | G | A | -0.3725 | |
| 691 | E | A | -0.4643 | |
| 692 | L | A | 0.0000 | |
| 693 | D | A | 0.0795 | |
| 694 | L | A | 0.0000 | |
| 695 | S | A | -0.9119 | |
| 696 | N | A | -1.6065 | |
| 697 | N | A | -2.0782 | |
| 698 | C | A | -1.0224 | |
| 699 | L | A | 0.0000 | |
| 700 | G | A | -0.7561 | |
| 701 | D | A | -1.3169 | |
| 702 | A | A | -0.6263 | |
| 703 | G | A | 0.0000 | |
| 704 | I | A | 0.0000 | |
| 705 | L | A | -0.6881 | |
| 706 | Q | A | -1.3676 | |
| 707 | L | A | 0.0000 | |
| 708 | V | A | 0.0000 | |
| 709 | E | A | -2.1728 | |
| 710 | S | A | -1.1035 | |
| 711 | V | A | -1.1113 | |
| 712 | R | A | -2.7568 | |
| 713 | G | A | -1.4073 | |
| 714 | S | A | -0.9601 | |
| 715 | G | A | -1.4369 | |
| 716 | S | A | -1.6492 | |
| 717 | E | A | -2.6893 | |
| 718 | R | A | -2.2641 | |
| 719 | S | A | -1.4118 | |
| 720 | K | A | -1.3631 | |
| 721 | P | A | -0.7491 | |
| 722 | N | A | 0.0000 | |
| 723 | N | A | -0.8943 | |
| 724 | P | A | -0.3290 | |
| 725 | A | A | 0.0036 | |
| 726 | Q | A | 0.1354 | |
| 727 | Y | A | 0.8867 | |
| 728 | P | A | 0.0000 | |
| 729 | A | A | 0.7417 | |
| 730 | F | A | 1.1638 | |
| 731 | S | A | 1.3672 | |
| 732 | V | A | 1.9753 | |
| 733 | T | A | 0.3633 | |
| 734 | N | A | -0.5760 | |
| 735 | P | A | -0.8603 | |
| 736 | G | A | 0.0000 | |
| 737 | G | A | -0.7796 | |
| 738 | S | A | 0.0000 | |
| 739 | G | A | -0.2089 | |
| 740 | Q | A | -0.1670 | |
| 741 | L | A | 0.0000 | |
| 742 | V | A | 0.4034 | |
| 743 | L | A | 0.0000 | |
| 744 | Y | A | 0.9285 | |
| 745 | D | A | -0.4493 | |
| 746 | I | A | 0.0000 | |
| 747 | Y | A | 0.0000 | |
| 748 | W | A | -1.3410 | |
| 749 | S | A | -2.2384 | |
| 750 | E | A | -3.5637 | |
| 751 | E | A | -3.5954 | |
| 752 | M | A | 0.0000 | |
| 753 | E | A | -2.9228 | |
| 754 | D | A | -3.5824 | |
| 755 | R | A | -2.5259 | |
| 756 | L | A | 0.0000 | |
| 757 | Q | A | -3.1960 | |
| 758 | A | A | -2.5141 | |
| 759 | L | A | -2.7346 | |
| 760 | E | A | -3.2177 | |
| 761 | K | A | -3.5468 | |
| 762 | D | A | -3.7146 | |
| 763 | G | A | -2.8504 | |
| 764 | S | A | -2.2313 | |
| 765 | G | A | -2.1563 | |
| 766 | S | A | -2.3539 | |
| 767 | E | A | -2.2991 | |
| 768 | R | A | 0.0000 | |
| 769 | S | A | -1.0519 | |
| 770 | K | A | -1.3836 | |
| 771 | P | A | -1.4111 | |
| 772 | N | A | -1.8710 | |
| 773 | N | A | -1.7725 | |
| 774 | P | A | -1.2431 | |
| 775 | A | A | -1.1493 | |
| 776 | Q | A | -1.1110 | |
| 777 | Y | A | -0.3538 | |
| 778 | P | A | -0.2063 | |
| 779 | A | A | -0.4159 | |
| 780 | F | A | -1.0161 | |
| 781 | S | A | -1.0297 | |
| 782 | V | A | 0.0000 | |
| 783 | T | A | -0.3527 | |
| 784 | N | A | -1.1597 | |
| 785 | P | A | -0.3397 | |
| 786 | G | A | -0.8338 | |
| 787 | G | A | -0.9638 | |
| 788 | S | A | -1.2297 | |
| 789 | G | A | -1.2459 | |
| 790 | R | A | -1.8727 | |
| 791 | V | A | 0.1799 | |
| 792 | I | A | -0.1889 | |
| 793 | S | A | -0.4973 |
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, -0.7947 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_9 | -0.7947 | View | CSV | PDB |
| model_1 | -0.7989 | View | CSV | PDB |
| model_2 | -0.8132 | View | CSV | PDB |
| model_10 | -0.8138 | View | CSV | PDB |
| model_4 | -0.8238 | View | CSV | PDB |
| model_7 | -0.8291 | View | CSV | PDB |
| model_5 | -0.8326 | View | CSV | PDB |
| CABS_average | -0.8376 | View | CSV | PDB |
| model_11 | -0.8471 | View | CSV | PDB |
| model_0 | -0.8546 | View | CSV | PDB |
| model_8 | -0.8748 | View | CSV | PDB |
| model_3 | -0.8785 | View | CSV | PDB |
| model_6 | -0.8898 | View | CSV | PDB |
| input | -1.1095 | 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