Project name: C20_A6_GH_A4_EF_GSG
Status: done
Started: 2026-07-21 11:05:36
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGYPTFGEHKQATNLQYGQCGSGVRLDDCGLTEARCKDISSALRVGSGYPTFGEHKQATNLQYGQCGSGELNLRSNELGDVGVHCVLQGLQGSGYPTFGEHKQATNLQYGQCGSGKLSLQNCCLTGAGCGVLSSTLRTGSGYPTFGEHKQATNLQYGQCGSGELHLSDNLLGDAGLQLLCEGLLGSGYPTFGEHKQATNLQYGQCGSGKLQLEYCSLSAASCEPLASVLRAGSGYPTFGEHKQATNLQYGQCGSGELTVSNNDINEAGVRVLCQGLKDGSGYPTFGEHKQATNLQYGQCGSGALKLESCGVTSDNCRDLCGIVASGSGYPTFGEHKQATNLQYGQCGSGELALGSNKLGDVGMAELCPGLLGSGSERSKPNNPAQYPAFSVTNPGGSGTLWIWECGITAKGCGDLCRVLRAGSGSERSKPNNPAQYPAFSVTNPGGSGELSLAGNELGDEGARLLCETLLGSGSERSKPNNPAQYPAFSVTNPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGSERSKPNNPAQYPAFSVTNPGGSGELQISNNRLEDAGVRELCQGLGGSGSERSKPNNPAQYPAFSVTNPGGSGVLWLADCDVSDSSCSSLAATLLAGSGSERSKPNNPAQYPAFSVTNPGGSGELDLSNNCLGDAGILQLVESVRGSGSERSKPNNPAQYPAFSVTNPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGSERSKPNNPAQYPAFSVTNPGGSGRVIS
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 (00:14:13)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:49:06)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:49:11)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:49:17)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:49:22)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:49:28)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:49:33)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:49:39)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:49:44)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:49:50)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:49:55)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:50:01)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:50:06)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:50:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:50:25)
[INFO] Main: Simulation completed successfully. (02:50:31)
|
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
- -4.3831
- Maximal score value
- 2.4919
- Average score
- -0.781
- Total score value
- -606.8457
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 | -1.4283 | |
| 2 | L | A | -1.0230 | |
| 3 | D | A | -1.2779 | |
| 4 | I | A | 0.5714 | |
| 5 | Q | A | -0.7103 | |
| 6 | S | A | -0.5265 | |
| 7 | L | A | -0.2050 | |
| 8 | D | A | -0.8156 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.6123 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.3841 | |
| 13 | E | A | -3.3369 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -1.8142 | |
| 16 | D | A | -2.3059 | |
| 17 | A | A | -1.4353 | |
| 18 | R | A | -1.7761 | |
| 19 | W | A | -1.1026 | |
| 20 | A | A | -1.2109 | |
| 21 | E | A | -1.6503 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.6750 | |
| 24 | P | A | -0.8463 | |
| 25 | L | A | -0.2276 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.3170 | |
| 28 | G | A | -0.9836 | |
| 29 | S | A | -0.7228 | |
| 30 | G | A | -0.5979 | |
| 31 | Y | A | -0.1400 | |
| 32 | P | A | -0.4852 | |
| 33 | T | A | -0.5480 | |
| 34 | F | A | 0.0000 | |
| 35 | G | A | -1.5421 | |
| 36 | E | A | -3.2056 | |
| 37 | H | A | -3.1875 | |
| 38 | K | A | -3.6285 | |
| 39 | Q | A | -3.2355 | |
| 40 | A | A | 0.0000 | |
| 41 | T | A | -1.5315 | |
| 42 | N | A | -2.0256 | |
| 43 | L | A | -1.4351 | |
| 44 | Q | A | -2.0541 | |
| 45 | Y | A | 0.0000 | |
| 46 | G | A | -1.4005 | |
| 47 | Q | A | -1.8013 | |
| 48 | C | A | 0.0000 | |
| 49 | G | A | -0.7962 | |
| 50 | S | A | -0.6574 | |
| 51 | G | A | -0.6538 | |
| 52 | V | A | 0.0000 | |
| 53 | R | A | 0.0000 | |
| 54 | L | A | 0.0000 | |
| 55 | D | A | -1.7776 | |
| 56 | D | A | -2.6944 | |
| 57 | C | A | 0.0000 | |
| 58 | G | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | T | A | -1.2455 | |
| 61 | E | A | -1.5458 | |
| 62 | A | A | -0.9599 | |
| 63 | R | A | 0.0000 | |
| 64 | C | A | 0.0000 | |
| 65 | K | A | -1.6101 | |
| 66 | D | A | -1.3039 | |
| 67 | I | A | 0.0000 | |
| 68 | S | A | 0.0000 | |
| 69 | S | A | -0.9049 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | R | A | -1.2515 | |
| 73 | V | A | 0.2635 | |
| 74 | G | A | -0.4559 | |
| 75 | S | A | -0.5006 | |
| 76 | G | A | -0.3399 | |
| 77 | Y | A | -0.0740 | |
| 78 | P | A | 0.0000 | |
| 79 | T | A | -0.5105 | |
| 80 | F | A | 0.0000 | |
| 81 | G | A | -1.4182 | |
| 82 | E | A | -2.7109 | |
| 83 | H | A | 0.0000 | |
| 84 | K | A | -3.9429 | |
| 85 | Q | A | -3.0454 | |
| 86 | A | A | 0.0000 | |
| 87 | T | A | -1.4652 | |
| 88 | N | A | -1.8411 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | G | A | -1.3787 | |
| 93 | Q | A | -1.2636 | |
| 94 | C | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | S | A | -0.6144 | |
| 97 | G | A | -0.7520 | |
| 98 | E | A | -1.0309 | |
| 99 | L | A | 0.0000 | |
| 100 | N | A | -0.9014 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -1.7435 | |
| 103 | S | A | -1.9806 | |
| 104 | N | A | -2.2824 | |
| 105 | E | A | -2.4197 | |
| 106 | L | A | -1.0256 | |
| 107 | G | A | -1.0367 | |
| 108 | D | A | -0.8561 | |
| 109 | V | A | 0.3567 | |
| 110 | G | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | H | A | -0.7509 | |
| 113 | C | A | -0.8221 | |
| 114 | V | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | -1.2242 | |
| 117 | G | A | 0.0000 | |
| 118 | L | A | -0.6943 | |
| 119 | Q | A | -1.0703 | |
| 120 | G | A | -0.8375 | |
| 121 | S | A | -0.6461 | |
| 122 | G | A | -0.6668 | |
| 123 | Y | A | 0.0000 | |
| 124 | P | A | 0.0000 | |
| 125 | T | A | -0.2528 | |
| 126 | F | A | 0.0000 | |
| 127 | G | A | -1.4454 | |
| 128 | E | A | 0.0000 | |
| 129 | H | A | -3.1271 | |
| 130 | K | A | -3.6113 | |
| 131 | Q | A | -3.0750 | |
| 132 | A | A | 0.0000 | |
| 133 | T | A | -1.5478 | |
| 134 | N | A | -2.2408 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -1.7760 | |
| 137 | Y | A | 0.0000 | |
| 138 | G | A | -1.0069 | |
| 139 | Q | A | -1.0011 | |
| 140 | C | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | S | A | -0.7056 | |
| 143 | G | A | -0.7876 | |
| 144 | K | A | -1.3123 | |
| 145 | L | A | -0.6214 | |
| 146 | S | A | -0.6716 | |
| 147 | L | A | 0.0000 | |
| 148 | Q | A | -1.3510 | |
| 149 | N | A | -1.6908 | |
| 150 | C | A | 0.0000 | |
| 151 | C | A | -1.1101 | |
| 152 | L | A | 0.0000 | |
| 153 | T | A | -0.5706 | |
| 154 | G | A | -0.7200 | |
| 155 | A | A | -0.4680 | |
| 156 | G | A | -0.2781 | |
| 157 | C | A | 0.0000 | |
| 158 | G | A | -0.5286 | |
| 159 | V | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | S | A | -0.8441 | |
| 162 | S | A | -1.0775 | |
| 163 | T | A | -0.8987 | |
| 164 | L | A | -0.9173 | |
| 165 | R | A | -2.0586 | |
| 166 | T | A | -1.1956 | |
| 167 | G | A | -0.9058 | |
| 168 | S | A | -0.7842 | |
| 169 | G | A | -0.8048 | |
| 170 | Y | A | -0.4285 | |
| 171 | P | A | 0.0000 | |
| 172 | T | A | -0.4251 | |
| 173 | F | A | 0.0000 | |
| 174 | G | A | -1.5868 | |
| 175 | E | A | -3.2500 | |
| 176 | H | A | 0.0000 | |
| 177 | K | A | -4.0402 | |
| 178 | Q | A | -3.0442 | |
| 179 | A | A | 0.0000 | |
| 180 | T | A | -1.5663 | |
| 181 | N | A | -2.0855 | |
| 182 | L | A | 0.0000 | |
| 183 | Q | A | -1.9015 | |
| 184 | Y | A | 0.0000 | |
| 185 | G | A | -1.0712 | |
| 186 | Q | A | -0.9404 | |
| 187 | C | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | S | A | -0.6152 | |
| 190 | G | A | -0.6080 | |
| 191 | E | A | -0.9931 | |
| 192 | L | A | -0.4068 | |
| 193 | H | A | -0.5190 | |
| 194 | L | A | 0.0000 | |
| 195 | S | A | 0.0000 | |
| 196 | D | A | -1.4828 | |
| 197 | N | A | -1.3242 | |
| 198 | L | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | G | A | -0.6572 | |
| 201 | D | A | -0.8300 | |
| 202 | A | A | -0.4509 | |
| 203 | G | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.0214 | |
| 206 | L | A | -0.6187 | |
| 207 | L | A | 0.0000 | |
| 208 | C | A | -0.6193 | |
| 209 | E | A | -1.5888 | |
| 210 | G | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | L | A | 0.3433 | |
| 213 | G | A | -0.3334 | |
| 214 | S | A | -0.2330 | |
| 215 | G | A | -0.1833 | |
| 216 | Y | A | 0.0000 | |
| 217 | P | A | 0.0000 | |
| 218 | T | A | -0.2939 | |
| 219 | F | A | 0.0000 | |
| 220 | G | A | -2.3251 | |
| 221 | E | A | -3.6911 | |
| 222 | H | A | 0.0000 | |
| 223 | K | A | -3.6256 | |
| 224 | Q | A | -2.2831 | |
| 225 | A | A | 0.0000 | |
| 226 | T | A | -1.3972 | |
| 227 | N | A | -2.0419 | |
| 228 | L | A | 0.0000 | |
| 229 | Q | A | -1.8610 | |
| 230 | Y | A | 0.0000 | |
| 231 | G | A | -1.0702 | |
| 232 | Q | A | -0.7965 | |
| 233 | C | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | S | A | -0.4000 | |
| 236 | G | A | 0.0000 | |
| 237 | K | A | -0.6911 | |
| 238 | L | A | -0.3276 | |
| 239 | Q | A | -0.5553 | |
| 240 | L | A | 0.0000 | |
| 241 | E | A | -0.9131 | |
| 242 | Y | A | -0.7187 | |
| 243 | C | A | 0.0000 | |
| 244 | S | A | -1.0763 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -1.2372 | |
| 247 | A | A | -0.9583 | |
| 248 | A | A | -0.7163 | |
| 249 | S | A | 0.0000 | |
| 250 | C | A | 0.0000 | |
| 251 | E | A | -1.5815 | |
| 252 | P | A | -0.9707 | |
| 253 | L | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | S | A | -1.3015 | |
| 256 | V | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | R | A | -2.6713 | |
| 259 | A | A | -0.8302 | |
| 260 | G | A | -0.4145 | |
| 261 | S | A | -0.1660 | |
| 262 | G | A | 0.0000 | |
| 263 | Y | A | 0.3517 | |
| 264 | P | A | 0.0000 | |
| 265 | T | A | -0.1067 | |
| 266 | F | A | 0.0000 | |
| 267 | G | A | -1.5840 | |
| 268 | E | A | -3.3462 | |
| 269 | H | A | 0.0000 | |
| 270 | K | A | -3.4336 | |
| 271 | Q | A | -2.0731 | |
| 272 | A | A | 0.0000 | |
| 273 | T | A | -1.0563 | |
| 274 | N | A | -1.5418 | |
| 275 | L | A | 0.0000 | |
| 276 | Q | A | -1.5513 | |
| 277 | Y | A | 0.0000 | |
| 278 | G | A | -0.8200 | |
| 279 | Q | A | -0.7556 | |
| 280 | C | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | S | A | -0.3031 | |
| 283 | G | A | -0.3183 | |
| 284 | E | A | -0.8510 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | N | A | -1.7460 | |
| 290 | N | A | 0.0000 | |
| 291 | D | A | -2.6239 | |
| 292 | I | A | 0.0000 | |
| 293 | N | A | -2.4980 | |
| 294 | E | A | -2.6425 | |
| 295 | A | A | -1.7104 | |
| 296 | G | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | R | A | -2.9496 | |
| 299 | V | A | -1.7775 | |
| 300 | L | A | -1.3492 | |
| 301 | C | A | 0.0000 | |
| 302 | Q | A | -2.9934 | |
| 303 | G | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -3.5000 | |
| 306 | D | A | -3.4957 | |
| 307 | G | A | 0.0000 | |
| 308 | S | A | -1.7466 | |
| 309 | G | A | -1.3094 | |
| 310 | Y | A | 0.0000 | |
| 311 | P | A | 0.0868 | |
| 312 | T | A | 0.2036 | |
| 313 | F | A | 0.0000 | |
| 314 | G | A | -1.6916 | |
| 315 | E | A | -3.6601 | |
| 316 | H | A | 0.0000 | |
| 317 | K | A | -4.3831 | |
| 318 | Q | A | -2.9847 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | -1.1596 | |
| 321 | N | A | -1.1258 | |
| 322 | L | A | 0.0000 | |
| 323 | Q | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | G | A | -0.5243 | |
| 326 | Q | A | 0.0000 | |
| 327 | C | A | -0.1379 | |
| 328 | G | A | 0.0000 | |
| 329 | S | A | -0.3762 | |
| 330 | G | A | -0.5597 | |
| 331 | A | A | -0.8094 | |
| 332 | L | A | -0.7898 | |
| 333 | K | A | -1.5284 | |
| 334 | L | A | 0.0000 | |
| 335 | E | A | -1.9864 | |
| 336 | S | A | -1.9340 | |
| 337 | C | A | 0.0000 | |
| 338 | G | A | -2.1368 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | -1.7863 | |
| 341 | S | A | -1.4276 | |
| 342 | D | A | -2.2679 | |
| 343 | N | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | R | A | -2.3585 | |
| 346 | D | A | -2.3988 | |
| 347 | L | A | 0.0000 | |
| 348 | C | A | -1.0193 | |
| 349 | G | A | -1.1604 | |
| 350 | I | A | 0.0000 | |
| 351 | V | A | -0.5226 | |
| 352 | A | A | -0.4614 | |
| 353 | S | A | -1.0501 | |
| 354 | G | A | -0.7229 | |
| 355 | S | A | -0.6875 | |
| 356 | G | A | -0.9197 | |
| 357 | Y | A | 0.0000 | |
| 358 | P | A | -0.2229 | |
| 359 | T | A | 0.0000 | |
| 360 | F | A | 0.5158 | |
| 361 | G | A | -1.3213 | |
| 362 | E | A | -3.5426 | |
| 363 | H | A | -3.8082 | |
| 364 | K | A | -4.2229 | |
| 365 | Q | A | -3.2377 | |
| 366 | A | A | -2.0846 | |
| 367 | T | A | -1.1037 | |
| 368 | N | A | -1.2193 | |
| 369 | L | A | -0.3913 | |
| 370 | Q | A | -0.4146 | |
| 371 | Y | A | -0.2449 | |
| 372 | G | A | -0.9575 | |
| 373 | Q | A | 0.0000 | |
| 374 | C | A | -0.9419 | |
| 375 | G | A | 0.0000 | |
| 376 | S | A | -0.6684 | |
| 377 | G | A | -0.6824 | |
| 378 | E | A | -0.9899 | |
| 379 | L | A | 0.0000 | |
| 380 | A | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | G | A | -1.1646 | |
| 383 | S | A | 0.0000 | |
| 384 | N | A | -2.7310 | |
| 385 | K | A | -2.7473 | |
| 386 | L | A | 0.0000 | |
| 387 | G | A | -1.2623 | |
| 388 | D | A | -1.1595 | |
| 389 | V | A | 0.0669 | |
| 390 | G | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | A | A | -0.4877 | |
| 393 | E | A | -0.8990 | |
| 394 | L | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | P | A | -0.3384 | |
| 397 | G | A | 0.0000 | |
| 398 | L | A | 0.1885 | |
| 399 | L | A | -0.0106 | |
| 400 | G | A | -0.2594 | |
| 401 | S | A | -0.4874 | |
| 402 | G | A | -1.0240 | |
| 403 | S | A | -1.5968 | |
| 404 | E | A | -2.5195 | |
| 405 | R | A | -2.1771 | |
| 406 | S | A | -1.2279 | |
| 407 | K | A | -0.6418 | |
| 408 | P | A | -0.6963 | |
| 409 | N | A | -1.0782 | |
| 410 | N | A | -1.2711 | |
| 411 | P | A | -0.8793 | |
| 412 | A | A | -0.7513 | |
| 413 | Q | A | -1.0292 | |
| 414 | Y | A | 0.4947 | |
| 415 | P | A | 0.4808 | |
| 416 | A | A | 1.0099 | |
| 417 | F | A | 1.3087 | |
| 418 | S | A | 0.0000 | |
| 419 | V | A | 1.0074 | |
| 420 | T | A | -0.0405 | |
| 421 | N | A | -0.9785 | |
| 422 | P | A | -1.0782 | |
| 423 | G | A | -1.2051 | |
| 424 | G | A | -0.9259 | |
| 425 | S | A | -0.8910 | |
| 426 | G | A | -0.5070 | |
| 427 | T | A | -0.4096 | |
| 428 | L | A | 0.0470 | |
| 429 | W | A | 0.5108 | |
| 430 | I | A | 0.0000 | |
| 431 | W | A | -0.5127 | |
| 432 | E | A | -2.5069 | |
| 433 | C | A | 0.0000 | |
| 434 | G | A | -2.2795 | |
| 435 | I | A | 0.0000 | |
| 436 | T | A | -2.0768 | |
| 437 | A | A | -2.1999 | |
| 438 | K | A | -2.1007 | |
| 439 | G | A | 0.0000 | |
| 440 | C | A | 0.0000 | |
| 441 | G | A | -1.1385 | |
| 442 | D | A | -1.0281 | |
| 443 | L | A | 0.0000 | |
| 444 | C | A | -0.9851 | |
| 445 | R | A | -1.2809 | |
| 446 | V | A | -0.7646 | |
| 447 | L | A | -0.9439 | |
| 448 | R | A | -2.0741 | |
| 449 | A | A | -0.9929 | |
| 450 | G | A | -0.8712 | |
| 451 | S | A | -0.9945 | |
| 452 | G | A | -0.8996 | |
| 453 | S | A | -0.9391 | |
| 454 | E | A | -1.5863 | |
| 455 | R | A | -1.5968 | |
| 456 | S | A | -1.4896 | |
| 457 | K | A | -1.5255 | |
| 458 | P | A | -0.8986 | |
| 459 | N | A | -0.7583 | |
| 460 | N | A | -0.8022 | |
| 461 | P | A | 0.0000 | |
| 462 | A | A | -1.0032 | |
| 463 | Q | A | -1.2201 | |
| 464 | Y | A | -0.1838 | |
| 465 | P | A | -0.0954 | |
| 466 | A | A | 0.5692 | |
| 467 | F | A | 0.0000 | |
| 468 | S | A | 0.0000 | |
| 469 | V | A | 1.0056 | |
| 470 | T | A | 0.0000 | |
| 471 | N | A | -0.5724 | |
| 472 | P | A | 0.0000 | |
| 473 | G | A | -0.7404 | |
| 474 | G | A | -0.7115 | |
| 475 | S | A | -0.6589 | |
| 476 | G | A | -0.6621 | |
| 477 | E | A | -0.6704 | |
| 478 | L | A | 0.0000 | |
| 479 | S | A | 0.3274 | |
| 480 | L | A | 0.0000 | |
| 481 | A | A | -1.0287 | |
| 482 | G | A | 0.0000 | |
| 483 | N | A | -2.7002 | |
| 484 | E | A | -3.1416 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | -2.7851 | |
| 487 | D | A | -3.3368 | |
| 488 | E | A | -3.2653 | |
| 489 | G | A | 0.0000 | |
| 490 | A | A | 0.0000 | |
| 491 | R | A | -2.8108 | |
| 492 | L | A | -1.3025 | |
| 493 | L | A | 0.0000 | |
| 494 | C | A | 0.0000 | |
| 495 | E | A | -1.0117 | |
| 496 | T | A | -0.7879 | |
| 497 | L | A | -0.1715 | |
| 498 | L | A | 0.4128 | |
| 499 | G | A | -0.6207 | |
| 500 | S | A | 0.0000 | |
| 501 | G | A | -0.6759 | |
| 502 | S | A | -1.0066 | |
| 503 | E | A | -1.8344 | |
| 504 | R | A | -2.5654 | |
| 505 | S | A | -1.5004 | |
| 506 | K | A | -1.2986 | |
| 507 | P | A | -1.0871 | |
| 508 | N | A | 0.0000 | |
| 509 | N | A | -1.0643 | |
| 510 | P | A | -0.9228 | |
| 511 | A | A | 0.0000 | |
| 512 | Q | A | -1.7613 | |
| 513 | Y | A | 0.0000 | |
| 514 | P | A | -0.3597 | |
| 515 | A | A | 0.0000 | |
| 516 | F | A | 2.0924 | |
| 517 | S | A | 0.0000 | |
| 518 | V | A | 1.1609 | |
| 519 | T | A | 0.0000 | |
| 520 | N | A | -0.4115 | |
| 521 | P | A | 0.0000 | |
| 522 | G | A | -0.7878 | |
| 523 | G | A | -0.8390 | |
| 524 | S | A | -0.8338 | |
| 525 | G | A | -0.8505 | |
| 526 | S | A | -0.5941 | |
| 527 | L | A | -0.1540 | |
| 528 | W | A | 0.0827 | |
| 529 | V | A | 0.0000 | |
| 530 | K | A | -1.3712 | |
| 531 | S | A | -2.0986 | |
| 532 | C | A | 0.0000 | |
| 533 | S | A | -2.1284 | |
| 534 | F | A | 0.0000 | |
| 535 | T | A | -1.1049 | |
| 536 | A | A | -0.7930 | |
| 537 | A | A | -0.6992 | |
| 538 | C | A | 0.0000 | |
| 539 | C | A | 0.0000 | |
| 540 | S | A | -0.6885 | |
| 541 | H | A | -0.6880 | |
| 542 | F | A | -0.1493 | |
| 543 | S | A | -0.5458 | |
| 544 | S | A | -0.2005 | |
| 545 | V | A | 0.2071 | |
| 546 | L | A | -0.1807 | |
| 547 | A | A | -0.3930 | |
| 548 | Q | A | -0.6428 | |
| 549 | G | A | -0.6569 | |
| 550 | S | A | -0.7822 | |
| 551 | G | A | -0.9066 | |
| 552 | S | A | -1.1434 | |
| 553 | E | A | 0.0000 | |
| 554 | R | A | 0.0000 | |
| 555 | S | A | 0.0000 | |
| 556 | K | A | 0.0000 | |
| 557 | P | A | 0.0000 | |
| 558 | N | A | 0.0000 | |
| 559 | N | A | 0.0000 | |
| 560 | P | A | -1.0706 | |
| 561 | A | A | -0.9827 | |
| 562 | Q | A | -1.4446 | |
| 563 | Y | A | 0.0000 | |
| 564 | P | A | -0.1214 | |
| 565 | A | A | 0.0000 | |
| 566 | F | A | 1.3876 | |
| 567 | S | A | 1.0883 | |
| 568 | V | A | 0.8114 | |
| 569 | T | A | 0.0000 | |
| 570 | N | A | -0.6247 | |
| 571 | P | A | 0.0000 | |
| 572 | G | A | -0.9316 | |
| 573 | G | A | -1.0188 | |
| 574 | S | A | -0.9150 | |
| 575 | G | A | -0.9027 | |
| 576 | E | A | -0.7725 | |
| 577 | L | A | -0.0412 | |
| 578 | Q | A | -0.2221 | |
| 579 | I | A | 0.0000 | |
| 580 | S | A | 0.0000 | |
| 581 | N | A | -2.1856 | |
| 582 | N | A | 0.0000 | |
| 583 | R | A | -2.7210 | |
| 584 | L | A | -1.7359 | |
| 585 | E | A | -1.9818 | |
| 586 | D | A | -1.7182 | |
| 587 | A | A | -1.1362 | |
| 588 | G | A | 0.0000 | |
| 589 | V | A | 0.0000 | |
| 590 | R | A | -1.9424 | |
| 591 | E | A | -1.7436 | |
| 592 | L | A | 0.0000 | |
| 593 | C | A | 0.0000 | |
| 594 | Q | A | -1.7722 | |
| 595 | G | A | -1.0073 | |
| 596 | L | A | -0.6536 | |
| 597 | G | A | -0.7476 | |
| 598 | G | A | -0.7741 | |
| 599 | S | A | -0.7523 | |
| 600 | G | A | -1.0309 | |
| 601 | S | A | -1.1861 | |
| 602 | E | A | -1.6932 | |
| 603 | R | A | -1.5704 | |
| 604 | S | A | -1.2083 | |
| 605 | K | A | 0.0000 | |
| 606 | P | A | -1.1141 | |
| 607 | N | A | 0.0000 | |
| 608 | N | A | -1.1229 | |
| 609 | P | A | -0.8522 | |
| 610 | A | A | -0.7476 | |
| 611 | Q | A | -0.8092 | |
| 612 | Y | A | -0.2222 | |
| 613 | P | A | 0.0901 | |
| 614 | A | A | 0.5219 | |
| 615 | F | A | 1.2918 | |
| 616 | S | A | 0.0000 | |
| 617 | V | A | 0.4948 | |
| 618 | T | A | 0.0000 | |
| 619 | N | A | -0.8782 | |
| 620 | P | A | -0.9658 | |
| 621 | G | A | -0.9372 | |
| 622 | G | A | -0.9343 | |
| 623 | S | A | -0.8305 | |
| 624 | G | A | -0.4995 | |
| 625 | V | A | -0.2405 | |
| 626 | L | A | 0.0000 | |
| 627 | W | A | 0.1141 | |
| 628 | L | A | 0.0000 | |
| 629 | A | A | -1.1948 | |
| 630 | D | A | -1.9790 | |
| 631 | C | A | 0.0000 | |
| 632 | D | A | -1.5568 | |
| 633 | V | A | 0.0000 | |
| 634 | S | A | -1.0942 | |
| 635 | D | A | -2.0686 | |
| 636 | S | A | -1.1774 | |
| 637 | S | A | 0.0000 | |
| 638 | C | A | 0.0000 | |
| 639 | S | A | -0.8346 | |
| 640 | S | A | -0.8619 | |
| 641 | L | A | 0.0000 | |
| 642 | A | A | 0.0000 | |
| 643 | A | A | 0.0456 | |
| 644 | T | A | 0.0000 | |
| 645 | L | A | 0.0000 | |
| 646 | L | A | 0.1829 | |
| 647 | A | A | 0.1742 | |
| 648 | G | A | -0.1331 | |
| 649 | S | A | -0.5185 | |
| 650 | G | A | -0.6461 | |
| 651 | S | A | 0.0000 | |
| 652 | E | A | -1.1919 | |
| 653 | R | A | 0.0000 | |
| 654 | S | A | 0.0000 | |
| 655 | K | A | 0.0000 | |
| 656 | P | A | 0.0000 | |
| 657 | N | A | -1.7197 | |
| 658 | N | A | -1.0835 | |
| 659 | P | A | -0.8240 | |
| 660 | A | A | -0.8513 | |
| 661 | Q | A | -0.7192 | |
| 662 | Y | A | 0.1911 | |
| 663 | P | A | 0.4562 | |
| 664 | A | A | 0.8636 | |
| 665 | F | A | 1.4362 | |
| 666 | S | A | 0.0000 | |
| 667 | V | A | 0.7004 | |
| 668 | T | A | 0.0000 | |
| 669 | N | A | -0.9702 | |
| 670 | P | A | 0.0000 | |
| 671 | G | A | -0.9637 | |
| 672 | G | A | -0.7092 | |
| 673 | S | A | -0.5155 | |
| 674 | G | A | -0.3029 | |
| 675 | E | A | -0.5588 | |
| 676 | L | A | 0.0000 | |
| 677 | D | A | 0.0343 | |
| 678 | L | A | 0.0000 | |
| 679 | S | A | -0.6976 | |
| 680 | N | A | -1.8613 | |
| 681 | N | A | 0.0000 | |
| 682 | C | A | -0.4704 | |
| 683 | L | A | 0.0000 | |
| 684 | G | A | -1.0301 | |
| 685 | D | A | -1.3869 | |
| 686 | A | A | -0.8748 | |
| 687 | G | A | 0.0000 | |
| 688 | I | A | 0.0000 | |
| 689 | L | A | -0.4174 | |
| 690 | Q | A | -1.5459 | |
| 691 | L | A | 0.0000 | |
| 692 | V | A | 0.0000 | |
| 693 | E | A | -2.4340 | |
| 694 | S | A | -1.4887 | |
| 695 | V | A | 0.0000 | |
| 696 | R | A | -2.9503 | |
| 697 | G | A | -1.6331 | |
| 698 | S | A | -1.2730 | |
| 699 | G | A | -0.9923 | |
| 700 | S | A | -0.9633 | |
| 701 | E | A | -1.0672 | |
| 702 | R | A | 0.0000 | |
| 703 | S | A | -0.8070 | |
| 704 | K | A | -0.9380 | |
| 705 | P | A | -1.0596 | |
| 706 | N | A | -1.3206 | |
| 707 | N | A | -1.8572 | |
| 708 | P | A | -1.2242 | |
| 709 | A | A | -0.7759 | |
| 710 | Q | A | -0.8895 | |
| 711 | Y | A | 0.4286 | |
| 712 | P | A | 0.6719 | |
| 713 | A | A | 0.0000 | |
| 714 | F | A | 2.4919 | |
| 715 | S | A | 0.0000 | |
| 716 | V | A | 1.3111 | |
| 717 | T | A | 0.0000 | |
| 718 | N | A | -1.0478 | |
| 719 | P | A | 0.0000 | |
| 720 | G | A | -0.8740 | |
| 721 | G | A | 0.0000 | |
| 722 | S | A | -0.7042 | |
| 723 | G | A | 0.0000 | |
| 724 | Q | A | -0.4340 | |
| 725 | L | A | 0.0000 | |
| 726 | V | A | 0.8597 | |
| 727 | L | A | 0.0000 | |
| 728 | Y | A | 0.5779 | |
| 729 | D | A | -1.2225 | |
| 730 | I | A | 0.0000 | |
| 731 | Y | A | 0.0000 | |
| 732 | W | A | -0.1911 | |
| 733 | S | A | -1.8842 | |
| 734 | E | A | -3.2709 | |
| 735 | E | A | -3.5355 | |
| 736 | M | A | 0.0000 | |
| 737 | E | A | -3.6985 | |
| 738 | D | A | -4.1791 | |
| 739 | R | A | -3.3611 | |
| 740 | L | A | 0.0000 | |
| 741 | Q | A | -3.7640 | |
| 742 | A | A | -2.8618 | |
| 743 | L | A | -3.3781 | |
| 744 | E | A | -3.8337 | |
| 745 | K | A | -3.4597 | |
| 746 | D | A | -3.0091 | |
| 747 | G | A | -2.7501 | |
| 748 | S | A | -1.9798 | |
| 749 | G | A | -1.3751 | |
| 750 | S | A | -1.8985 | |
| 751 | E | A | -2.9839 | |
| 752 | R | A | -2.5975 | |
| 753 | S | A | -1.0536 | |
| 754 | K | A | -0.8255 | |
| 755 | P | A | -0.4433 | |
| 756 | N | A | -0.3658 | |
| 757 | N | A | -0.9369 | |
| 758 | P | A | -0.9824 | |
| 759 | A | A | -0.8414 | |
| 760 | Q | A | -0.4198 | |
| 761 | Y | A | 0.8965 | |
| 762 | P | A | 0.4189 | |
| 763 | A | A | 0.8577 | |
| 764 | F | A | 1.6310 | |
| 765 | S | A | 0.0000 | |
| 766 | V | A | 0.6552 | |
| 767 | T | A | 0.0000 | |
| 768 | N | A | -1.9142 | |
| 769 | P | A | -1.7274 | |
| 770 | G | A | -1.2394 | |
| 771 | G | A | -1.3973 | |
| 772 | S | A | -1.5735 | |
| 773 | G | A | -2.2587 | |
| 774 | R | A | -1.8108 | |
| 775 | V | A | 0.0000 | |
| 776 | I | A | 0.3903 | |
| 777 | S | A | 0.3606 |
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, -0.781 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_11 | -0.781 | View | CSV | PDB |
| model_6 | -0.7923 | View | CSV | PDB |
| model_7 | -0.7951 | View | CSV | PDB |
| model_4 | -0.7961 | View | CSV | PDB |
| model_0 | -0.8057 | View | CSV | PDB |
| model_1 | -0.8151 | View | CSV | PDB |
| model_2 | -0.8186 | View | CSV | PDB |
| CABS_average | -0.8238 | View | CSV | PDB |
| model_5 | -0.832 | View | CSV | PDB |
| model_9 | -0.8367 | View | CSV | PDB |
| model_8 | -0.8433 | View | CSV | PDB |
| model_10 | -0.8626 | View | CSV | PDB |
| model_3 | -0.9075 | View | CSV | PDB |
| input | -0.9189 | 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