Project name: C06_A6_EF_A10_EF_GSG
Status: done
Started: 2026-07-21 11:02:57
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGSPATKPNGQGLYPDFAGSGVRLDDCGLTEARCKDISSALRVGSGSPATKPNGQGLYPDFAGSGELNLRSNELGDVGVHCVLQGLQGSGSPATKPNGQGLYPDFAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGSPATKPNGQGLYPDFAGSGELHLSDNLLGDAGLQLLCEGLLGSGSPATKPNGQGLYPDFAGSGKLQLEYCSLSAASCEPLASVLRAGSGSPATKPNGQGLYPDFAGSGELTVSNNDINEAGVRVLCQGLKDGSGSPATKPNGQGLYPDFAGSGALKLESCGVTSDNCRDLCGIVASGSGSPATKPNGQGLYPDFAGSGELALGSNKLGDVGMAELCPGLLGSGGSNTKPNEAPHPGFTGSGTLWIWECGITAKGCGDLCRVLRAGSGGSNTKPNEAPHPGFTGSGELSLAGNELGDEGARLLCETLLGSGGSNTKPNEAPHPGFTGSGSLWVKSCSFTAACCSHFSSVLAQGSGGSNTKPNEAPHPGFTGSGELQISNNRLEDAGVRELCQGLGGSGGSNTKPNEAPHPGFTGSGVLWLADCDVSDSSCSSLAATLLAGSGGSNTKPNEAPHPGFTGSGELDLSNNCLGDAGILQLVESVRGSGGSNTKPNEAPHPGFTGSGQLVLYDIYWSEEMEDRLQALEKDGSGGSNTKPNEAPHPGFTGSGRVIS
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 (00:10:59)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:36:27)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:36:32)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:36:37)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:36:42)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:36:47)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:36:53)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:36:58)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:37:04)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:37:09)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:37:15)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:37:20)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:37:25)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:37:31)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:37:45)
[INFO] Main: Simulation completed successfully. (02:37:51)
|
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
- -4.4919
- Maximal score value
- 1.3635
- Average score
- -0.7374
- Total score value
- -525.7962
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 | -0.0233 | |
| 2 | L | A | 0.7709 | |
| 3 | D | A | -0.4709 | |
| 4 | I | A | 0.8764 | |
| 5 | Q | A | -0.6954 | |
| 6 | S | A | -0.6529 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -1.0929 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.2022 | |
| 11 | C | A | -2.6357 | |
| 12 | E | A | -2.9396 | |
| 13 | E | A | -3.0253 | |
| 14 | L | A | -2.6094 | |
| 15 | S | A | -2.1330 | |
| 16 | D | A | -2.4327 | |
| 17 | A | A | -1.8398 | |
| 18 | R | A | -2.9998 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.7525 | |
| 21 | E | A | -2.4394 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.8865 | |
| 24 | P | A | -0.9242 | |
| 25 | L | A | -0.2513 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.9913 | |
| 28 | G | A | -0.9221 | |
| 29 | S | A | -0.5847 | |
| 30 | G | A | -0.3515 | |
| 31 | S | A | -0.2157 | |
| 32 | P | A | -0.4401 | |
| 33 | A | A | -0.5689 | |
| 34 | T | A | -1.1652 | |
| 35 | K | A | -2.2180 | |
| 36 | P | A | -1.7340 | |
| 37 | N | A | -1.6719 | |
| 38 | G | A | -1.2749 | |
| 39 | Q | A | -0.7023 | |
| 40 | G | A | -0.3569 | |
| 41 | L | A | 0.3962 | |
| 42 | Y | A | 0.4048 | |
| 43 | P | A | -0.2574 | |
| 44 | D | A | -0.3761 | |
| 45 | F | A | -0.3562 | |
| 46 | A | A | -0.3480 | |
| 47 | G | A | -0.6393 | |
| 48 | S | A | -0.7766 | |
| 49 | G | A | -0.9079 | |
| 50 | V | A | 0.0000 | |
| 51 | R | A | -1.8316 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -2.2252 | |
| 54 | D | A | -3.2649 | |
| 55 | C | A | 0.0000 | |
| 56 | G | A | -2.1662 | |
| 57 | L | A | 0.0000 | |
| 58 | T | A | -1.4911 | |
| 59 | E | A | -1.7305 | |
| 60 | A | A | -1.5402 | |
| 61 | R | A | -1.8581 | |
| 62 | C | A | 0.0000 | |
| 63 | K | A | -2.3329 | |
| 64 | D | A | -1.7063 | |
| 65 | I | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | S | A | -0.9330 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | R | A | -0.7818 | |
| 71 | V | A | 0.0934 | |
| 72 | G | A | 0.0000 | |
| 73 | S | A | 0.0000 | |
| 74 | G | A | -0.1897 | |
| 75 | S | A | -0.2952 | |
| 76 | P | A | -0.4645 | |
| 77 | A | A | -0.3446 | |
| 78 | T | A | -0.8467 | |
| 79 | K | A | 0.0000 | |
| 80 | P | A | -1.1035 | |
| 81 | N | A | 0.0000 | |
| 82 | G | A | -1.2597 | |
| 83 | Q | A | 0.0000 | |
| 84 | G | A | -0.1302 | |
| 85 | L | A | 0.6600 | |
| 86 | Y | A | 0.0000 | |
| 87 | P | A | 0.0000 | |
| 88 | D | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | G | A | -0.1040 | |
| 92 | S | A | -0.8039 | |
| 93 | G | A | -0.8206 | |
| 94 | E | A | -1.2211 | |
| 95 | L | A | 0.0000 | |
| 96 | N | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | R | A | -1.7759 | |
| 99 | S | A | -1.9752 | |
| 100 | N | A | 0.0000 | |
| 101 | E | A | -2.5158 | |
| 102 | L | A | -1.3042 | |
| 103 | G | A | -0.9050 | |
| 104 | D | A | -0.4326 | |
| 105 | V | A | 0.1939 | |
| 106 | G | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | H | A | -0.5625 | |
| 109 | C | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | Q | A | -1.0778 | |
| 113 | G | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | Q | A | -0.8337 | |
| 116 | G | A | -0.8874 | |
| 117 | S | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | S | A | -0.3762 | |
| 120 | P | A | -0.8221 | |
| 121 | A | A | -0.5970 | |
| 122 | T | A | -0.4171 | |
| 123 | K | A | -0.7444 | |
| 124 | P | A | -0.9215 | |
| 125 | N | A | -1.0819 | |
| 126 | G | A | -1.0822 | |
| 127 | Q | A | 0.0000 | |
| 128 | G | A | -0.7247 | |
| 129 | L | A | 0.0000 | |
| 130 | Y | A | 0.0000 | |
| 131 | P | A | 0.0000 | |
| 132 | D | A | 0.0000 | |
| 133 | F | A | 0.4884 | |
| 134 | A | A | 0.1638 | |
| 135 | G | A | -0.2607 | |
| 136 | S | A | -0.5632 | |
| 137 | G | A | 0.0000 | |
| 138 | K | A | -0.8669 | |
| 139 | L | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.5584 | |
| 143 | N | A | -1.8952 | |
| 144 | C | A | 0.0000 | |
| 145 | C | A | -0.2911 | |
| 146 | L | A | 0.0000 | |
| 147 | T | A | -0.0475 | |
| 148 | G | A | -0.3799 | |
| 149 | A | A | -0.1773 | |
| 150 | G | A | 0.0000 | |
| 151 | C | A | 0.0000 | |
| 152 | G | A | -0.4139 | |
| 153 | V | A | -0.3688 | |
| 154 | L | A | 0.0000 | |
| 155 | S | A | -0.8631 | |
| 156 | S | A | -1.1172 | |
| 157 | T | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | R | A | -1.8765 | |
| 160 | T | A | 0.0000 | |
| 161 | G | A | -1.1229 | |
| 162 | S | A | 0.0000 | |
| 163 | G | A | -0.7125 | |
| 164 | S | A | -0.5712 | |
| 165 | P | A | -0.6374 | |
| 166 | A | A | -0.6828 | |
| 167 | T | A | -1.2786 | |
| 168 | K | A | -2.7322 | |
| 169 | P | A | -2.1595 | |
| 170 | N | A | -1.9782 | |
| 171 | G | A | -1.4416 | |
| 172 | Q | A | -1.4133 | |
| 173 | G | A | -0.8078 | |
| 174 | L | A | -0.2734 | |
| 175 | Y | A | 0.3931 | |
| 176 | P | A | 0.0000 | |
| 177 | D | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | A | A | 0.0824 | |
| 180 | G | A | -0.3116 | |
| 181 | S | A | -0.5004 | |
| 182 | G | A | 0.0000 | |
| 183 | E | A | -0.6997 | |
| 184 | L | A | 0.0000 | |
| 185 | H | A | -0.5662 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | -0.5771 | |
| 188 | D | A | -0.9508 | |
| 189 | N | A | 0.0000 | |
| 190 | L | A | 1.1766 | |
| 191 | L | A | 0.0000 | |
| 192 | G | A | -0.3032 | |
| 193 | D | A | -0.7298 | |
| 194 | A | A | -0.5920 | |
| 195 | G | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | Q | A | -1.4570 | |
| 198 | L | A | -0.7914 | |
| 199 | L | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | E | A | -1.7543 | |
| 202 | G | A | 0.0000 | |
| 203 | L | A | -0.1294 | |
| 204 | L | A | 0.4004 | |
| 205 | G | A | -0.3885 | |
| 206 | S | A | 0.0000 | |
| 207 | G | A | 0.2129 | |
| 208 | S | A | 0.0000 | |
| 209 | P | A | -0.2177 | |
| 210 | A | A | 0.0000 | |
| 211 | T | A | -1.5900 | |
| 212 | K | A | -2.3511 | |
| 213 | P | A | -2.3217 | |
| 214 | N | A | -2.2906 | |
| 215 | G | A | -1.8375 | |
| 216 | Q | A | -1.7500 | |
| 217 | G | A | -0.8527 | |
| 218 | L | A | 0.0000 | |
| 219 | Y | A | 0.6815 | |
| 220 | P | A | 0.4439 | |
| 221 | D | A | 0.0000 | |
| 222 | F | A | 0.4406 | |
| 223 | A | A | 0.2218 | |
| 224 | G | A | -0.2655 | |
| 225 | S | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | K | A | -0.5051 | |
| 228 | L | A | 0.0000 | |
| 229 | Q | A | -0.3183 | |
| 230 | L | A | -0.0344 | |
| 231 | E | A | 0.0000 | |
| 232 | Y | A | 0.5409 | |
| 233 | C | A | 0.0000 | |
| 234 | S | A | -0.6166 | |
| 235 | L | A | 0.0000 | |
| 236 | S | A | -1.2610 | |
| 237 | A | A | -0.9832 | |
| 238 | A | A | -0.4441 | |
| 239 | S | A | 0.0000 | |
| 240 | C | A | 0.0000 | |
| 241 | E | A | -1.0056 | |
| 242 | P | A | -1.0001 | |
| 243 | L | A | 0.0000 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | -1.0446 | |
| 246 | V | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | R | A | -2.3100 | |
| 249 | A | A | -0.8279 | |
| 250 | G | A | -0.5370 | |
| 251 | S | A | -0.8237 | |
| 252 | G | A | -1.2035 | |
| 253 | S | A | -0.8220 | |
| 254 | P | A | -0.9396 | |
| 255 | A | A | -0.2172 | |
| 256 | T | A | -0.4923 | |
| 257 | K | A | -1.2068 | |
| 258 | P | A | -1.7614 | |
| 259 | N | A | -2.5812 | |
| 260 | G | A | -1.2746 | |
| 261 | Q | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.9155 | |
| 264 | Y | A | 0.0000 | |
| 265 | P | A | 0.3227 | |
| 266 | D | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | A | A | 0.1989 | |
| 269 | G | A | -0.2673 | |
| 270 | S | A | -0.5254 | |
| 271 | G | A | 0.0000 | |
| 272 | E | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | S | A | -0.4451 | |
| 277 | N | A | 0.0000 | |
| 278 | N | A | -1.9261 | |
| 279 | D | A | -2.4052 | |
| 280 | I | A | 0.0000 | |
| 281 | N | A | -2.2967 | |
| 282 | E | A | -2.0023 | |
| 283 | A | A | -1.1332 | |
| 284 | G | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | R | A | -1.7447 | |
| 287 | V | A | -0.8160 | |
| 288 | L | A | 0.0000 | |
| 289 | C | A | 0.0000 | |
| 290 | Q | A | -1.6730 | |
| 291 | G | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | K | A | -2.5470 | |
| 294 | D | A | -2.1867 | |
| 295 | G | A | 0.0000 | |
| 296 | S | A | 0.0000 | |
| 297 | G | A | -0.6698 | |
| 298 | S | A | -0.2534 | |
| 299 | P | A | 0.0000 | |
| 300 | A | A | -0.9131 | |
| 301 | T | A | 0.0000 | |
| 302 | K | A | -2.6234 | |
| 303 | P | A | -2.0579 | |
| 304 | N | A | -1.6743 | |
| 305 | G | A | -1.3387 | |
| 306 | Q | A | 0.0000 | |
| 307 | G | A | -0.2195 | |
| 308 | L | A | 0.7358 | |
| 309 | Y | A | 1.3635 | |
| 310 | P | A | 0.0000 | |
| 311 | D | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | G | A | -0.2178 | |
| 315 | S | A | -0.6136 | |
| 316 | G | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | K | A | -0.8442 | |
| 320 | L | A | 0.0000 | |
| 321 | E | A | -0.6426 | |
| 322 | S | A | -1.1235 | |
| 323 | C | A | 0.0000 | |
| 324 | G | A | -1.5373 | |
| 325 | V | A | 0.0000 | |
| 326 | T | A | -1.2626 | |
| 327 | S | A | -1.0811 | |
| 328 | D | A | -1.7488 | |
| 329 | N | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | R | A | -2.6545 | |
| 332 | D | A | -2.0339 | |
| 333 | L | A | 0.0000 | |
| 334 | C | A | 0.0000 | |
| 335 | G | A | -1.3630 | |
| 336 | I | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | A | A | -0.3431 | |
| 339 | S | A | -0.6690 | |
| 340 | G | A | -0.6657 | |
| 341 | S | A | -0.5857 | |
| 342 | G | A | 0.0000 | |
| 343 | S | A | -0.8342 | |
| 344 | P | A | -0.7658 | |
| 345 | A | A | -1.1205 | |
| 346 | T | A | -1.2743 | |
| 347 | K | A | -2.2629 | |
| 348 | P | A | -1.8955 | |
| 349 | N | A | 0.0000 | |
| 350 | G | A | -1.5238 | |
| 351 | Q | A | 0.0000 | |
| 352 | G | A | -0.3807 | |
| 353 | L | A | 0.2155 | |
| 354 | Y | A | 0.0000 | |
| 355 | P | A | 0.0767 | |
| 356 | D | A | 0.0000 | |
| 357 | F | A | 0.0000 | |
| 358 | A | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | S | A | -0.4550 | |
| 361 | G | A | 0.0000 | |
| 362 | E | A | -0.8367 | |
| 363 | L | A | 0.0000 | |
| 364 | A | A | -0.1585 | |
| 365 | L | A | 0.0000 | |
| 366 | G | A | -0.3962 | |
| 367 | S | A | -0.6946 | |
| 368 | N | A | 0.0000 | |
| 369 | K | A | -2.0061 | |
| 370 | L | A | 0.0000 | |
| 371 | G | A | -0.4690 | |
| 372 | D | A | -0.5299 | |
| 373 | V | A | 0.9848 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | -0.4581 | |
| 377 | E | A | -0.9577 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | -0.5077 | |
| 380 | P | A | -0.8461 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | G | A | 0.0000 | |
| 385 | S | A | -0.5885 | |
| 386 | G | A | -0.5439 | |
| 387 | G | A | 0.0000 | |
| 388 | S | A | -0.7470 | |
| 389 | N | A | -1.0384 | |
| 390 | T | A | -1.0762 | |
| 391 | K | A | 0.0000 | |
| 392 | P | A | -1.6734 | |
| 393 | N | A | -2.2879 | |
| 394 | E | A | -2.5748 | |
| 395 | A | A | -1.4824 | |
| 396 | P | A | -1.2380 | |
| 397 | H | A | -0.9833 | |
| 398 | P | A | -0.5455 | |
| 399 | G | A | 0.0000 | |
| 400 | F | A | 0.0000 | |
| 401 | T | A | -0.4226 | |
| 402 | G | A | -0.6447 | |
| 403 | S | A | 0.0000 | |
| 404 | G | A | 0.0000 | |
| 405 | T | A | -0.5841 | |
| 406 | L | A | 0.0000 | |
| 407 | W | A | 0.4450 | |
| 408 | I | A | 0.0000 | |
| 409 | W | A | 0.0041 | |
| 410 | E | A | -0.7702 | |
| 411 | C | A | -1.1119 | |
| 412 | G | A | -1.5058 | |
| 413 | I | A | 0.0000 | |
| 414 | T | A | -1.7368 | |
| 415 | A | A | -2.2236 | |
| 416 | K | A | -2.0256 | |
| 417 | G | A | 0.0000 | |
| 418 | C | A | 0.0000 | |
| 419 | G | A | -1.5890 | |
| 420 | D | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | C | A | -1.6281 | |
| 423 | R | A | -2.3325 | |
| 424 | V | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | R | A | -2.3786 | |
| 427 | A | A | -1.3276 | |
| 428 | G | A | 0.0000 | |
| 429 | S | A | 0.0000 | |
| 430 | G | A | -0.8398 | |
| 431 | G | A | -0.8636 | |
| 432 | S | A | -1.1026 | |
| 433 | N | A | 0.0000 | |
| 434 | T | A | -1.5395 | |
| 435 | K | A | -1.6730 | |
| 436 | P | A | -1.9441 | |
| 437 | N | A | -2.3963 | |
| 438 | E | A | -2.6338 | |
| 439 | A | A | -2.5331 | |
| 440 | P | A | -1.8582 | |
| 441 | H | A | -0.9686 | |
| 442 | P | A | -0.2908 | |
| 443 | G | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | T | A | -0.3210 | |
| 446 | G | A | -0.6213 | |
| 447 | S | A | -0.7975 | |
| 448 | G | A | -0.8408 | |
| 449 | E | A | -1.1088 | |
| 450 | L | A | 0.0000 | |
| 451 | S | A | 0.0457 | |
| 452 | L | A | 0.0000 | |
| 453 | A | A | 0.0000 | |
| 454 | G | A | 0.0000 | |
| 455 | N | A | -2.5290 | |
| 456 | E | A | -3.0400 | |
| 457 | L | A | 0.0000 | |
| 458 | G | A | -2.1464 | |
| 459 | D | A | -2.1855 | |
| 460 | E | A | -2.8669 | |
| 461 | G | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | R | A | -2.3510 | |
| 464 | L | A | -1.5854 | |
| 465 | L | A | 0.0000 | |
| 466 | C | A | 0.0000 | |
| 467 | E | A | -2.1069 | |
| 468 | T | A | 0.0000 | |
| 469 | L | A | 0.0000 | |
| 470 | L | A | -0.0399 | |
| 471 | G | A | -0.4757 | |
| 472 | S | A | 0.0000 | |
| 473 | G | A | -1.3327 | |
| 474 | G | A | -1.0330 | |
| 475 | S | A | 0.0000 | |
| 476 | N | A | -1.1938 | |
| 477 | T | A | 0.0000 | |
| 478 | K | A | -2.8494 | |
| 479 | P | A | -2.6379 | |
| 480 | N | A | -3.2316 | |
| 481 | E | A | -3.1895 | |
| 482 | A | A | 0.0000 | |
| 483 | P | A | -1.8724 | |
| 484 | H | A | 0.0000 | |
| 485 | P | A | -0.3457 | |
| 486 | G | A | 0.0000 | |
| 487 | F | A | 0.0000 | |
| 488 | T | A | -0.2810 | |
| 489 | G | A | -0.5693 | |
| 490 | S | A | -0.6437 | |
| 491 | G | A | 0.0000 | |
| 492 | S | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | W | A | -0.0649 | |
| 495 | V | A | 0.0000 | |
| 496 | K | A | -0.6970 | |
| 497 | S | A | -0.9311 | |
| 498 | C | A | 0.0000 | |
| 499 | S | A | -1.8880 | |
| 500 | F | A | 0.0000 | |
| 501 | T | A | -1.2353 | |
| 502 | A | A | -1.2992 | |
| 503 | A | A | -0.9111 | |
| 504 | C | A | 0.0000 | |
| 505 | C | A | 0.0000 | |
| 506 | S | A | -0.9333 | |
| 507 | H | A | -0.9136 | |
| 508 | F | A | 0.0000 | |
| 509 | S | A | 0.0000 | |
| 510 | S | A | -0.6161 | |
| 511 | V | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | A | A | -0.8145 | |
| 514 | Q | A | -1.1720 | |
| 515 | G | A | 0.0000 | |
| 516 | S | A | 0.0000 | |
| 517 | G | A | -0.4953 | |
| 518 | G | A | -1.4025 | |
| 519 | S | A | -1.1289 | |
| 520 | N | A | -2.1360 | |
| 521 | T | A | -1.8874 | |
| 522 | K | A | -2.8781 | |
| 523 | P | A | -2.2442 | |
| 524 | N | A | -3.0592 | |
| 525 | E | A | -3.5487 | |
| 526 | A | A | 0.0000 | |
| 527 | P | A | -1.4488 | |
| 528 | H | A | 0.0000 | |
| 529 | P | A | -0.4611 | |
| 530 | G | A | -0.4133 | |
| 531 | F | A | 0.0000 | |
| 532 | T | A | -0.3644 | |
| 533 | G | A | -0.4886 | |
| 534 | S | A | -0.4260 | |
| 535 | G | A | 0.0000 | |
| 536 | E | A | -0.4846 | |
| 537 | L | A | 0.0000 | |
| 538 | Q | A | -0.0563 | |
| 539 | I | A | 0.0000 | |
| 540 | S | A | -1.3495 | |
| 541 | N | A | -2.4319 | |
| 542 | N | A | 0.0000 | |
| 543 | R | A | -3.2543 | |
| 544 | L | A | 0.0000 | |
| 545 | E | A | -3.1512 | |
| 546 | D | A | -2.5687 | |
| 547 | A | A | -1.8014 | |
| 548 | G | A | 0.0000 | |
| 549 | V | A | 0.0000 | |
| 550 | R | A | -2.7241 | |
| 551 | E | A | -1.9413 | |
| 552 | L | A | 0.0000 | |
| 553 | C | A | 0.0000 | |
| 554 | Q | A | -1.9537 | |
| 555 | G | A | 0.0000 | |
| 556 | L | A | 0.0000 | |
| 557 | G | A | -0.5760 | |
| 558 | G | A | -1.0340 | |
| 559 | S | A | 0.0000 | |
| 560 | G | A | 0.0000 | |
| 561 | G | A | -0.8380 | |
| 562 | S | A | -1.2600 | |
| 563 | N | A | -2.1671 | |
| 564 | T | A | -2.3871 | |
| 565 | K | A | -3.2626 | |
| 566 | P | A | -2.9501 | |
| 567 | N | A | -3.0713 | |
| 568 | E | A | -3.4669 | |
| 569 | A | A | -1.9301 | |
| 570 | P | A | -1.6059 | |
| 571 | H | A | 0.0000 | |
| 572 | P | A | -0.4724 | |
| 573 | G | A | 0.0000 | |
| 574 | F | A | 0.0000 | |
| 575 | T | A | -0.2509 | |
| 576 | G | A | -0.4481 | |
| 577 | S | A | -0.4386 | |
| 578 | G | A | -0.2941 | |
| 579 | V | A | -0.2057 | |
| 580 | L | A | 0.0000 | |
| 581 | W | A | 0.0311 | |
| 582 | L | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | D | A | -3.0592 | |
| 585 | C | A | 0.0000 | |
| 586 | D | A | -3.0040 | |
| 587 | V | A | 0.0000 | |
| 588 | S | A | -1.8366 | |
| 589 | D | A | -2.2465 | |
| 590 | S | A | -1.4608 | |
| 591 | S | A | 0.0000 | |
| 592 | C | A | 0.0000 | |
| 593 | S | A | -0.8609 | |
| 594 | S | A | -0.9775 | |
| 595 | L | A | 0.0000 | |
| 596 | A | A | 0.0000 | |
| 597 | A | A | 0.0668 | |
| 598 | T | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | L | A | 0.9399 | |
| 601 | A | A | 0.2146 | |
| 602 | G | A | 0.0000 | |
| 603 | S | A | 0.0000 | |
| 604 | G | A | -0.3139 | |
| 605 | G | A | 0.0000 | |
| 606 | S | A | -0.8028 | |
| 607 | N | A | -0.7143 | |
| 608 | T | A | -0.5675 | |
| 609 | K | A | 0.0000 | |
| 610 | P | A | -1.4466 | |
| 611 | N | A | -2.2936 | |
| 612 | E | A | 0.0000 | |
| 613 | A | A | -0.9210 | |
| 614 | P | A | -0.8189 | |
| 615 | H | A | 0.0000 | |
| 616 | P | A | -0.2467 | |
| 617 | G | A | 0.0000 | |
| 618 | F | A | -0.0300 | |
| 619 | T | A | -0.2057 | |
| 620 | G | A | -0.4891 | |
| 621 | S | A | -0.5438 | |
| 622 | G | A | -0.5243 | |
| 623 | E | A | -0.7262 | |
| 624 | L | A | 0.0000 | |
| 625 | D | A | 0.2934 | |
| 626 | L | A | 0.0000 | |
| 627 | S | A | 0.0000 | |
| 628 | N | A | -1.8013 | |
| 629 | N | A | -2.1713 | |
| 630 | C | A | 0.0000 | |
| 631 | L | A | 0.0000 | |
| 632 | G | A | -1.0150 | |
| 633 | D | A | -1.4339 | |
| 634 | A | A | -0.7767 | |
| 635 | G | A | 0.0000 | |
| 636 | I | A | 0.0000 | |
| 637 | L | A | -1.1489 | |
| 638 | Q | A | -1.2933 | |
| 639 | L | A | 0.0000 | |
| 640 | V | A | 0.0000 | |
| 641 | E | A | -2.3018 | |
| 642 | S | A | 0.0000 | |
| 643 | V | A | 0.0000 | |
| 644 | R | A | -2.0432 | |
| 645 | G | A | -1.1831 | |
| 646 | S | A | 0.0000 | |
| 647 | G | A | -0.9162 | |
| 648 | G | A | -1.2421 | |
| 649 | S | A | 0.0000 | |
| 650 | N | A | -1.6149 | |
| 651 | T | A | -2.1149 | |
| 652 | K | A | -3.0875 | |
| 653 | P | A | -2.4047 | |
| 654 | N | A | -2.8128 | |
| 655 | E | A | -2.0772 | |
| 656 | A | A | -0.8741 | |
| 657 | P | A | -1.1514 | |
| 658 | H | A | 0.0000 | |
| 659 | P | A | 0.0000 | |
| 660 | G | A | 0.0000 | |
| 661 | F | A | 0.0000 | |
| 662 | T | A | -0.3576 | |
| 663 | G | A | -0.6773 | |
| 664 | S | A | -0.9961 | |
| 665 | G | A | -1.1441 | |
| 666 | Q | A | -1.1616 | |
| 667 | L | A | 0.0000 | |
| 668 | V | A | 0.4650 | |
| 669 | L | A | 0.0000 | |
| 670 | Y | A | 0.2065 | |
| 671 | D | A | -1.2115 | |
| 672 | I | A | -0.4499 | |
| 673 | Y | A | 0.0000 | |
| 674 | W | A | -1.2798 | |
| 675 | S | A | -2.3311 | |
| 676 | E | A | -3.9056 | |
| 677 | E | A | -4.1297 | |
| 678 | M | A | 0.0000 | |
| 679 | E | A | -3.8320 | |
| 680 | D | A | -4.4919 | |
| 681 | R | A | -3.8975 | |
| 682 | L | A | 0.0000 | |
| 683 | Q | A | -3.4496 | |
| 684 | A | A | -2.5154 | |
| 685 | L | A | 0.0000 | |
| 686 | E | A | -2.7796 | |
| 687 | K | A | -2.9613 | |
| 688 | D | A | -2.2022 | |
| 689 | G | A | -2.1379 | |
| 690 | S | A | -1.6406 | |
| 691 | G | A | -1.4735 | |
| 692 | G | A | -1.3794 | |
| 693 | S | A | -1.5062 | |
| 694 | N | A | -1.9637 | |
| 695 | T | A | 0.0000 | |
| 696 | K | A | -2.2457 | |
| 697 | P | A | -1.7992 | |
| 698 | N | A | -1.9985 | |
| 699 | E | A | -2.2892 | |
| 700 | A | A | -1.5518 | |
| 701 | P | A | 0.0000 | |
| 702 | H | A | -1.8305 | |
| 703 | P | A | -1.5648 | |
| 704 | G | A | 0.0000 | |
| 705 | F | A | 0.0000 | |
| 706 | T | A | 0.0000 | |
| 707 | G | A | -1.2067 | |
| 708 | S | A | -1.3558 | |
| 709 | G | A | 0.0000 | |
| 710 | R | A | -2.4522 | |
| 711 | V | A | 0.0000 | |
| 712 | I | A | 0.5018 | |
| 713 | S | A | 0.1492 |
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, -0.7374 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 | -0.7374 | View | CSV | PDB |
| model_11 | -0.7703 | View | CSV | PDB |
| model_8 | -0.7758 | View | CSV | PDB |
| model_2 | -0.78 | View | CSV | PDB |
| model_3 | -0.7816 | View | CSV | PDB |
| model_0 | -0.7827 | View | CSV | PDB |
| model_1 | -0.7875 | View | CSV | PDB |
| model_6 | -0.7894 | View | CSV | PDB |
| CABS_average | -0.7925 | View | CSV | PDB |
| model_7 | -0.7931 | View | CSV | PDB |
| model_4 | -0.8069 | View | CSV | PDB |
| model_5 | -0.828 | View | CSV | PDB |
| input | -0.8522 | View | CSV | PDB |
| model_10 | -0.877 | 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