Project name: C37_A6_GH_GSG
Status: done
Started: 2026-07-21 11:08:58
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGYPTFGEHKQATNLQYGQCGSGVRLDDCGLTEARCKDISSALRVGSGYPTFGEHKQATNLQYGQCGSGELNLRSNELGDVGVHCVLQGLQGSGYPTFGEHKQATNLQYGQCGSGKLSLQNCCLTGAGCGVLSSTLRTGSGYPTFGEHKQATNLQYGQCGSGELHLSDNLLGDAGLQLLCEGLLGSGYPTFGEHKQATNLQYGQCGSGKLQLEYCSLSAASCEPLASVLRAGSGYPTFGEHKQATNLQYGQCGSGELTVSNNDINEAGVRVLCQGLKDGSGYPTFGEHKQATNLQYGQCGSGALKLESCGVTSDNCRDLCGIVASGSGYPTFGEHKQATNLQYGQCGSGELALGSNKLGDVGMAELCPGLLGSGYPTFGEHKQATNLQYGQCGSGTLWIWECGITAKGCGDLCRVLRAGSGYPTFGEHKQATNLQYGQCGSGELSLAGNELGDEGARLLCETLLGSGYPTFGEHKQATNLQYGQCGSGSLWVKSCSFTAACCSHFSSVLAQGSGYPTFGEHKQATNLQYGQCGSGELQISNNRLEDAGVRELCQGLGGSGYPTFGEHKQATNLQYGQCGSGVLWLADCDVSDSSCSSLAATLLAGSGYPTFGEHKQATNLQYGQCGSGELDLSNNCLGDAGILQLVESVRGSGYPTFGEHKQATNLQYGQCGSGQLVLYDIYWSEEMEDRLQALEKDGSGYPTFGEHKQATNLQYGQCGSGRVIS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:14:48)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:37:51)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:37:56)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:38:01)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:38:07)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:38:12)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:38:17)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:38:22)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:38:28)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:38:33)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:38:38)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:38:43)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:38:49)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:38:54)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:39:07)
[INFO] Main: Simulation completed successfully. (02:39:12)
|
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
- -4.1449
- Maximal score value
- 2.0223
- Average score
- -0.7921
- Total score value
- -596.4149
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 | 0.1637 | |
| 2 | L | A | 0.9789 | |
| 3 | D | A | -0.1264 | |
| 4 | I | A | -0.2121 | |
| 5 | Q | A | -1.2901 | |
| 6 | S | A | -1.2016 | |
| 7 | L | A | -0.8228 | |
| 8 | D | A | -1.8961 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.7808 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.3659 | |
| 13 | E | A | -3.3763 | |
| 14 | L | A | -2.4717 | |
| 15 | S | A | -2.5165 | |
| 16 | D | A | -2.9637 | |
| 17 | A | A | -1.8714 | |
| 18 | R | A | -2.7552 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.7421 | |
| 21 | E | A | -2.2917 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.1496 | |
| 24 | P | A | -0.0140 | |
| 25 | L | A | 0.6961 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | 0.0000 | |
| 28 | G | A | 0.2623 | |
| 29 | S | A | 0.4051 | |
| 30 | G | A | 0.5586 | |
| 31 | Y | A | 1.2677 | |
| 32 | P | A | 0.4339 | |
| 33 | T | A | 0.2133 | |
| 34 | F | A | -0.6351 | |
| 35 | G | A | -1.8963 | |
| 36 | E | A | -3.4669 | |
| 37 | H | A | -3.2300 | |
| 38 | K | A | -3.7672 | |
| 39 | Q | A | -2.9835 | |
| 40 | A | A | 0.0000 | |
| 41 | T | A | -1.4941 | |
| 42 | N | A | -1.9044 | |
| 43 | L | A | 0.0000 | |
| 44 | Q | A | -1.7632 | |
| 45 | Y | A | 0.0000 | |
| 46 | G | A | -0.5463 | |
| 47 | Q | A | -0.1467 | |
| 48 | C | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | S | A | -0.0041 | |
| 51 | G | A | 0.0000 | |
| 52 | V | A | 0.0000 | |
| 53 | R | A | -1.7040 | |
| 54 | L | A | 0.0000 | |
| 55 | D | A | -2.1858 | |
| 56 | D | A | -2.8176 | |
| 57 | C | A | 0.0000 | |
| 58 | G | A | -2.4561 | |
| 59 | L | A | 0.0000 | |
| 60 | T | A | -1.7138 | |
| 61 | E | A | -2.3966 | |
| 62 | A | A | -1.8932 | |
| 63 | R | A | -2.5338 | |
| 64 | C | A | 0.0000 | |
| 65 | K | A | -2.1604 | |
| 66 | D | A | -2.1572 | |
| 67 | I | A | 0.0000 | |
| 68 | S | A | -1.4061 | |
| 69 | S | A | -0.9484 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | -0.6853 | |
| 72 | R | A | -1.3811 | |
| 73 | V | A | 0.7418 | |
| 74 | G | A | 0.3397 | |
| 75 | S | A | 0.0839 | |
| 76 | G | A | 0.4202 | |
| 77 | Y | A | 0.8419 | |
| 78 | P | A | 0.0000 | |
| 79 | T | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | G | A | -1.6573 | |
| 82 | E | A | -3.4278 | |
| 83 | H | A | 0.0000 | |
| 84 | K | A | -3.7248 | |
| 85 | Q | A | -2.6777 | |
| 86 | A | A | 0.0000 | |
| 87 | T | A | -1.2795 | |
| 88 | N | A | -1.5587 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | -1.4883 | |
| 91 | Y | A | 0.0000 | |
| 92 | G | A | -0.8713 | |
| 93 | Q | A | 0.0000 | |
| 94 | C | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | S | A | -0.4425 | |
| 97 | G | A | -0.6022 | |
| 98 | E | A | -1.0374 | |
| 99 | L | A | 0.0000 | |
| 100 | N | A | -1.1520 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -1.9458 | |
| 103 | S | A | -2.0309 | |
| 104 | N | A | -2.6087 | |
| 105 | E | A | -2.5158 | |
| 106 | L | A | 0.0000 | |
| 107 | G | A | -1.3836 | |
| 108 | D | A | -1.4152 | |
| 109 | V | A | -0.0036 | |
| 110 | G | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | H | A | -0.7020 | |
| 113 | C | A | -1.1299 | |
| 114 | V | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | -1.6386 | |
| 117 | G | A | -1.5474 | |
| 118 | L | A | -1.3145 | |
| 119 | Q | A | -2.1610 | |
| 120 | G | A | -1.5295 | |
| 121 | S | A | -0.5997 | |
| 122 | G | A | 0.0000 | |
| 123 | Y | A | 0.5292 | |
| 124 | P | A | 0.0000 | |
| 125 | T | A | 0.0493 | |
| 126 | F | A | 0.0000 | |
| 127 | G | A | -0.9101 | |
| 128 | E | A | 0.0000 | |
| 129 | H | A | 0.0000 | |
| 130 | K | A | -3.1016 | |
| 131 | Q | A | -2.7333 | |
| 132 | A | A | 0.0000 | |
| 133 | T | A | -1.2017 | |
| 134 | N | A | -1.4296 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -1.4863 | |
| 137 | Y | A | 0.0000 | |
| 138 | G | A | -0.7599 | |
| 139 | Q | A | -0.5551 | |
| 140 | C | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | S | A | 0.0000 | |
| 143 | G | A | -0.6795 | |
| 144 | K | A | -1.1247 | |
| 145 | L | A | 0.0000 | |
| 146 | S | A | -0.7608 | |
| 147 | L | A | 0.0000 | |
| 148 | Q | A | -1.8072 | |
| 149 | N | A | -2.0707 | |
| 150 | C | A | 0.0000 | |
| 151 | C | A | -1.0672 | |
| 152 | L | A | 0.0000 | |
| 153 | T | A | -0.6053 | |
| 154 | G | A | -0.6484 | |
| 155 | A | A | -0.2769 | |
| 156 | G | A | -0.4436 | |
| 157 | C | A | 0.0000 | |
| 158 | G | A | -0.4718 | |
| 159 | V | A | -0.3861 | |
| 160 | L | A | 0.0000 | |
| 161 | S | A | 0.0000 | |
| 162 | S | A | -1.2264 | |
| 163 | T | A | 0.0000 | |
| 164 | L | A | -1.1999 | |
| 165 | R | A | -2.2329 | |
| 166 | T | A | -1.3466 | |
| 167 | G | A | -0.9922 | |
| 168 | S | A | -0.5828 | |
| 169 | G | A | -0.3788 | |
| 170 | Y | A | 0.0000 | |
| 171 | P | A | 0.0000 | |
| 172 | T | A | -0.1071 | |
| 173 | F | A | 0.0000 | |
| 174 | G | A | -0.9604 | |
| 175 | E | A | 0.0000 | |
| 176 | H | A | 0.0000 | |
| 177 | K | A | -3.3407 | |
| 178 | Q | A | -3.0290 | |
| 179 | A | A | 0.0000 | |
| 180 | T | A | -1.0226 | |
| 181 | N | A | -1.2429 | |
| 182 | L | A | 0.0000 | |
| 183 | Q | A | -1.4150 | |
| 184 | Y | A | 0.0000 | |
| 185 | G | A | -0.8131 | |
| 186 | Q | A | -0.5475 | |
| 187 | C | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | S | A | -0.4593 | |
| 190 | G | A | -0.5828 | |
| 191 | E | A | -1.0094 | |
| 192 | L | A | 0.0000 | |
| 193 | H | A | -0.6293 | |
| 194 | L | A | 0.0000 | |
| 195 | S | A | 0.0000 | |
| 196 | D | A | -1.6912 | |
| 197 | N | A | -1.2693 | |
| 198 | L | A | -0.6749 | |
| 199 | L | A | 0.0000 | |
| 200 | G | A | -0.7982 | |
| 201 | D | A | -1.3368 | |
| 202 | A | A | -0.7929 | |
| 203 | G | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.8384 | |
| 206 | L | A | -0.8780 | |
| 207 | L | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | E | A | -2.0108 | |
| 210 | G | A | 0.0000 | |
| 211 | L | A | -0.5235 | |
| 212 | L | A | -0.3613 | |
| 213 | G | A | -0.8783 | |
| 214 | S | A | -0.6146 | |
| 215 | G | A | -0.3117 | |
| 216 | Y | A | -0.1410 | |
| 217 | P | A | -0.1176 | |
| 218 | T | A | -0.2352 | |
| 219 | F | A | 0.0000 | |
| 220 | G | A | -0.7394 | |
| 221 | E | A | 0.0000 | |
| 222 | H | A | -2.7256 | |
| 223 | K | A | -3.3706 | |
| 224 | Q | A | -3.1330 | |
| 225 | A | A | 0.0000 | |
| 226 | T | A | -1.4654 | |
| 227 | N | A | -1.2879 | |
| 228 | L | A | 0.0000 | |
| 229 | Q | A | -0.9778 | |
| 230 | Y | A | 0.0000 | |
| 231 | G | A | -0.7517 | |
| 232 | Q | A | -0.7388 | |
| 233 | C | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | S | A | -0.4521 | |
| 236 | G | A | 0.0000 | |
| 237 | K | A | -1.0782 | |
| 238 | L | A | 0.0000 | |
| 239 | Q | A | -0.5707 | |
| 240 | L | A | 0.0000 | |
| 241 | E | A | -0.7591 | |
| 242 | Y | A | -0.5554 | |
| 243 | C | A | 0.0000 | |
| 244 | S | A | -1.5790 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -1.2927 | |
| 247 | A | A | -1.0274 | |
| 248 | A | A | -0.8518 | |
| 249 | S | A | 0.0000 | |
| 250 | C | A | 0.0000 | |
| 251 | E | A | -2.3019 | |
| 252 | P | A | -1.5257 | |
| 253 | L | A | -0.6886 | |
| 254 | A | A | 0.0000 | |
| 255 | S | A | -1.2731 | |
| 256 | V | A | 0.0000 | |
| 257 | L | A | -1.3810 | |
| 258 | R | A | -2.6836 | |
| 259 | A | A | -0.9870 | |
| 260 | G | A | -0.6290 | |
| 261 | S | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | Y | A | 0.1523 | |
| 264 | P | A | 0.0000 | |
| 265 | T | A | -0.0751 | |
| 266 | F | A | 0.0000 | |
| 267 | G | A | -0.7995 | |
| 268 | E | A | -1.7090 | |
| 269 | H | A | -2.4133 | |
| 270 | K | A | -3.1186 | |
| 271 | Q | A | -2.6928 | |
| 272 | A | A | -1.8860 | |
| 273 | T | A | -1.2226 | |
| 274 | N | A | -1.0700 | |
| 275 | L | A | 0.0000 | |
| 276 | Q | A | -0.7923 | |
| 277 | Y | A | 0.0000 | |
| 278 | G | A | -0.6922 | |
| 279 | Q | A | -0.7727 | |
| 280 | C | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | S | A | -0.3436 | |
| 283 | G | A | -0.3357 | |
| 284 | E | A | -0.6762 | |
| 285 | L | A | -0.0879 | |
| 286 | T | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | N | A | -1.4880 | |
| 290 | N | A | -2.3794 | |
| 291 | D | A | -2.9124 | |
| 292 | I | A | 0.0000 | |
| 293 | N | A | -2.3633 | |
| 294 | E | A | -2.3147 | |
| 295 | A | A | -1.4355 | |
| 296 | G | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | R | A | -2.6797 | |
| 299 | V | A | -1.6748 | |
| 300 | L | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | Q | A | -2.9720 | |
| 303 | G | A | 0.0000 | |
| 304 | L | A | -2.2019 | |
| 305 | K | A | -3.1401 | |
| 306 | D | A | -3.3421 | |
| 307 | G | A | -2.3081 | |
| 308 | S | A | -1.5087 | |
| 309 | G | A | -0.5903 | |
| 310 | Y | A | 1.0574 | |
| 311 | P | A | 0.4911 | |
| 312 | T | A | 0.2521 | |
| 313 | F | A | -0.2842 | |
| 314 | G | A | -1.1273 | |
| 315 | E | A | -2.3094 | |
| 316 | H | A | 0.0000 | |
| 317 | K | A | -2.9899 | |
| 318 | Q | A | 0.0000 | |
| 319 | A | A | -0.8405 | |
| 320 | T | A | -0.8667 | |
| 321 | N | A | -0.9313 | |
| 322 | L | A | 0.0000 | |
| 323 | Q | A | -0.9277 | |
| 324 | Y | A | 0.0000 | |
| 325 | G | A | -0.6675 | |
| 326 | Q | A | -0.6194 | |
| 327 | C | A | 0.0000 | |
| 328 | G | A | 0.0192 | |
| 329 | S | A | -0.4130 | |
| 330 | G | A | -0.5057 | |
| 331 | A | A | -0.6208 | |
| 332 | L | A | -0.1809 | |
| 333 | K | A | -0.2770 | |
| 334 | L | A | -0.5053 | |
| 335 | E | A | -1.4062 | |
| 336 | S | A | -2.1035 | |
| 337 | C | A | 0.0000 | |
| 338 | G | A | -1.7008 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | -1.1899 | |
| 341 | S | A | -1.6557 | |
| 342 | D | A | -2.9283 | |
| 343 | N | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | R | A | -2.8812 | |
| 346 | D | A | -2.6102 | |
| 347 | L | A | -1.4715 | |
| 348 | C | A | -0.7955 | |
| 349 | G | A | -1.1887 | |
| 350 | I | A | 0.0000 | |
| 351 | V | A | -0.4795 | |
| 352 | A | A | -0.3634 | |
| 353 | S | A | -0.4359 | |
| 354 | G | A | -0.4941 | |
| 355 | S | A | -0.1696 | |
| 356 | G | A | 0.3641 | |
| 357 | Y | A | 1.2321 | |
| 358 | P | A | 0.7619 | |
| 359 | T | A | 0.0074 | |
| 360 | F | A | -1.0479 | |
| 361 | G | A | -1.8889 | |
| 362 | E | A | -2.8295 | |
| 363 | H | A | 0.0000 | |
| 364 | K | A | -2.8884 | |
| 365 | Q | A | 0.0000 | |
| 366 | A | A | -0.8858 | |
| 367 | T | A | -0.5793 | |
| 368 | N | A | -0.7256 | |
| 369 | L | A | 0.0000 | |
| 370 | Q | A | -0.6805 | |
| 371 | Y | A | 0.0000 | |
| 372 | G | A | -0.6235 | |
| 373 | Q | A | -0.4877 | |
| 374 | C | A | 0.0000 | |
| 375 | G | A | 0.0647 | |
| 376 | S | A | -0.5266 | |
| 377 | G | A | -0.7610 | |
| 378 | E | A | -0.9516 | |
| 379 | L | A | -0.0906 | |
| 380 | A | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | G | A | -1.0229 | |
| 383 | S | A | 0.0000 | |
| 384 | N | A | -3.0074 | |
| 385 | K | A | -2.7835 | |
| 386 | L | A | 0.0000 | |
| 387 | G | A | -0.8449 | |
| 388 | D | A | -0.5118 | |
| 389 | V | A | 1.0452 | |
| 390 | G | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | A | A | -0.3727 | |
| 393 | E | A | -0.9549 | |
| 394 | L | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | P | A | -0.6154 | |
| 397 | G | A | 0.0000 | |
| 398 | L | A | 0.1660 | |
| 399 | L | A | -0.0612 | |
| 400 | G | A | -0.2261 | |
| 401 | S | A | -0.0832 | |
| 402 | G | A | 0.2652 | |
| 403 | Y | A | 0.9099 | |
| 404 | P | A | 0.0000 | |
| 405 | T | A | 0.2967 | |
| 406 | F | A | 0.0000 | |
| 407 | G | A | -1.4031 | |
| 408 | E | A | -2.3393 | |
| 409 | H | A | -2.4742 | |
| 410 | K | A | -2.4631 | |
| 411 | Q | A | 0.0000 | |
| 412 | A | A | -0.5083 | |
| 413 | T | A | -0.4999 | |
| 414 | N | A | 0.0000 | |
| 415 | L | A | 0.0000 | |
| 416 | Q | A | -0.7027 | |
| 417 | Y | A | 0.0000 | |
| 418 | G | A | -0.6389 | |
| 419 | Q | A | -0.5290 | |
| 420 | C | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | S | A | -0.5434 | |
| 423 | G | A | -0.7262 | |
| 424 | T | A | -0.6822 | |
| 425 | L | A | 0.0000 | |
| 426 | W | A | 0.5084 | |
| 427 | I | A | 0.0000 | |
| 428 | W | A | -1.3807 | |
| 429 | E | A | -3.1772 | |
| 430 | C | A | 0.0000 | |
| 431 | G | A | -2.3928 | |
| 432 | I | A | 0.0000 | |
| 433 | T | A | -1.4697 | |
| 434 | A | A | 0.0000 | |
| 435 | K | A | -2.1224 | |
| 436 | G | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | G | A | -1.9503 | |
| 439 | D | A | -1.4707 | |
| 440 | L | A | 0.0000 | |
| 441 | C | A | 0.0000 | |
| 442 | R | A | -1.4925 | |
| 443 | V | A | -0.6490 | |
| 444 | L | A | -0.4488 | |
| 445 | R | A | -1.5684 | |
| 446 | A | A | -0.5970 | |
| 447 | G | A | -0.2092 | |
| 448 | S | A | -0.1242 | |
| 449 | G | A | 0.1195 | |
| 450 | Y | A | 1.3758 | |
| 451 | P | A | 1.0760 | |
| 452 | T | A | 1.4609 | |
| 453 | F | A | 2.0223 | |
| 454 | G | A | 0.3107 | |
| 455 | E | A | 0.0000 | |
| 456 | H | A | 0.0000 | |
| 457 | K | A | -2.2148 | |
| 458 | Q | A | -1.5698 | |
| 459 | A | A | -0.9614 | |
| 460 | T | A | -0.5657 | |
| 461 | N | A | -0.8964 | |
| 462 | L | A | 0.0000 | |
| 463 | Q | A | -0.7479 | |
| 464 | Y | A | 0.0000 | |
| 465 | G | A | -0.7266 | |
| 466 | Q | A | -0.6698 | |
| 467 | C | A | 0.0000 | |
| 468 | G | A | 0.0000 | |
| 469 | S | A | -0.5405 | |
| 470 | G | A | -0.9704 | |
| 471 | E | A | -1.1864 | |
| 472 | L | A | -0.0186 | |
| 473 | S | A | 0.0000 | |
| 474 | L | A | 0.0000 | |
| 475 | A | A | 0.0000 | |
| 476 | G | A | 0.0000 | |
| 477 | N | A | -3.1517 | |
| 478 | E | A | -3.0286 | |
| 479 | L | A | 0.0000 | |
| 480 | G | A | -2.2117 | |
| 481 | D | A | -2.2019 | |
| 482 | E | A | -2.8852 | |
| 483 | G | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | R | A | -2.7856 | |
| 486 | L | A | -1.7647 | |
| 487 | L | A | 0.0000 | |
| 488 | C | A | 0.0000 | |
| 489 | E | A | -1.1507 | |
| 490 | T | A | 0.0000 | |
| 491 | L | A | 0.1231 | |
| 492 | L | A | 0.8716 | |
| 493 | G | A | -0.2073 | |
| 494 | S | A | -0.0845 | |
| 495 | G | A | 0.2827 | |
| 496 | Y | A | 1.0562 | |
| 497 | P | A | 0.0000 | |
| 498 | T | A | 0.5242 | |
| 499 | F | A | 0.0000 | |
| 500 | G | A | -0.4424 | |
| 501 | E | A | -1.8316 | |
| 502 | H | A | -2.7560 | |
| 503 | K | A | -3.6302 | |
| 504 | Q | A | -3.2026 | |
| 505 | A | A | 0.0000 | |
| 506 | T | A | -1.2154 | |
| 507 | N | A | -0.8809 | |
| 508 | L | A | 0.0000 | |
| 509 | Q | A | -0.8582 | |
| 510 | Y | A | 0.0000 | |
| 511 | G | A | -0.7206 | |
| 512 | Q | A | -0.8015 | |
| 513 | C | A | 0.0000 | |
| 514 | G | A | 0.0000 | |
| 515 | S | A | -0.5971 | |
| 516 | G | A | -0.8031 | |
| 517 | S | A | -0.7363 | |
| 518 | L | A | -0.2731 | |
| 519 | W | A | 0.1015 | |
| 520 | V | A | 0.0000 | |
| 521 | K | A | -1.4207 | |
| 522 | S | A | -2.2334 | |
| 523 | C | A | 0.0000 | |
| 524 | S | A | -2.2080 | |
| 525 | F | A | 0.0000 | |
| 526 | T | A | -1.3723 | |
| 527 | A | A | -1.1231 | |
| 528 | A | A | -0.7670 | |
| 529 | C | A | 0.0000 | |
| 530 | C | A | 0.0000 | |
| 531 | S | A | -0.9009 | |
| 532 | H | A | -0.6410 | |
| 533 | F | A | 0.0000 | |
| 534 | S | A | -0.8503 | |
| 535 | S | A | -0.4201 | |
| 536 | V | A | 0.0879 | |
| 537 | L | A | -0.1848 | |
| 538 | A | A | -0.7303 | |
| 539 | Q | A | -1.0309 | |
| 540 | G | A | -0.7547 | |
| 541 | S | A | -0.3583 | |
| 542 | G | A | -0.1339 | |
| 543 | Y | A | 0.2064 | |
| 544 | P | A | 0.0000 | |
| 545 | T | A | -0.3939 | |
| 546 | F | A | 0.0000 | |
| 547 | G | A | -1.8715 | |
| 548 | E | A | -3.3354 | |
| 549 | H | A | 0.0000 | |
| 550 | K | A | -4.1449 | |
| 551 | Q | A | -3.4167 | |
| 552 | A | A | 0.0000 | |
| 553 | T | A | -1.2342 | |
| 554 | N | A | -1.0797 | |
| 555 | L | A | 0.0000 | |
| 556 | Q | A | -0.8560 | |
| 557 | Y | A | 0.0000 | |
| 558 | G | A | -0.7944 | |
| 559 | Q | A | -0.7547 | |
| 560 | C | A | 0.0000 | |
| 561 | G | A | 0.0000 | |
| 562 | S | A | -0.5023 | |
| 563 | G | A | -0.5713 | |
| 564 | E | A | -0.8619 | |
| 565 | L | A | 0.0368 | |
| 566 | Q | A | 0.0919 | |
| 567 | I | A | -0.4862 | |
| 568 | S | A | -1.2379 | |
| 569 | N | A | 0.0000 | |
| 570 | N | A | -3.3185 | |
| 571 | R | A | -3.2886 | |
| 572 | L | A | 0.0000 | |
| 573 | E | A | -2.6109 | |
| 574 | D | A | -2.4196 | |
| 575 | A | A | -1.5554 | |
| 576 | G | A | 0.0000 | |
| 577 | V | A | 0.0000 | |
| 578 | R | A | -2.8650 | |
| 579 | E | A | -2.1839 | |
| 580 | L | A | -1.2076 | |
| 581 | C | A | 0.0000 | |
| 582 | Q | A | -2.0142 | |
| 583 | G | A | 0.0000 | |
| 584 | L | A | 0.0000 | |
| 585 | G | A | -0.6085 | |
| 586 | G | A | -1.0513 | |
| 587 | S | A | -0.7342 | |
| 588 | G | A | -0.3477 | |
| 589 | Y | A | -0.0508 | |
| 590 | P | A | 0.0000 | |
| 591 | T | A | 0.0190 | |
| 592 | F | A | -0.5463 | |
| 593 | G | A | -1.6509 | |
| 594 | E | A | -3.0785 | |
| 595 | H | A | 0.0000 | |
| 596 | K | A | -3.7199 | |
| 597 | Q | A | -2.8337 | |
| 598 | A | A | 0.0000 | |
| 599 | T | A | -1.2129 | |
| 600 | N | A | -1.6319 | |
| 601 | L | A | 0.0000 | |
| 602 | Q | A | -1.4350 | |
| 603 | Y | A | 0.0000 | |
| 604 | G | A | -0.9855 | |
| 605 | Q | A | -0.9630 | |
| 606 | C | A | 0.0000 | |
| 607 | G | A | 0.0000 | |
| 608 | S | A | -0.3028 | |
| 609 | G | A | 0.0000 | |
| 610 | V | A | -0.0370 | |
| 611 | L | A | 0.3052 | |
| 612 | W | A | 0.4158 | |
| 613 | L | A | 0.0000 | |
| 614 | A | A | -1.1701 | |
| 615 | D | A | -3.0207 | |
| 616 | C | A | 0.0000 | |
| 617 | D | A | 0.0000 | |
| 618 | V | A | 0.0000 | |
| 619 | S | A | -1.7142 | |
| 620 | D | A | -1.7458 | |
| 621 | S | A | -1.2256 | |
| 622 | S | A | 0.0000 | |
| 623 | C | A | 0.0000 | |
| 624 | S | A | -0.8078 | |
| 625 | S | A | -1.1264 | |
| 626 | L | A | 0.0000 | |
| 627 | A | A | 0.0000 | |
| 628 | A | A | 0.2374 | |
| 629 | T | A | 0.0000 | |
| 630 | L | A | 0.0000 | |
| 631 | L | A | 1.0442 | |
| 632 | A | A | 0.6827 | |
| 633 | G | A | 0.0000 | |
| 634 | S | A | 0.0000 | |
| 635 | G | A | 0.0000 | |
| 636 | Y | A | 0.1835 | |
| 637 | P | A | 0.0000 | |
| 638 | T | A | -0.1372 | |
| 639 | F | A | 0.0000 | |
| 640 | G | A | -1.1530 | |
| 641 | E | A | -2.0181 | |
| 642 | H | A | 0.0000 | |
| 643 | K | A | -2.7886 | |
| 644 | Q | A | -2.2463 | |
| 645 | A | A | 0.0000 | |
| 646 | T | A | -1.4300 | |
| 647 | N | A | -1.9586 | |
| 648 | L | A | 0.0000 | |
| 649 | Q | A | -1.9054 | |
| 650 | Y | A | 0.0000 | |
| 651 | G | A | -1.1822 | |
| 652 | Q | A | -1.2333 | |
| 653 | C | A | 0.0000 | |
| 654 | G | A | 0.0000 | |
| 655 | S | A | -0.2368 | |
| 656 | G | A | 0.0000 | |
| 657 | E | A | -0.4685 | |
| 658 | L | A | 0.0000 | |
| 659 | D | A | 0.0000 | |
| 660 | L | A | 0.0000 | |
| 661 | S | A | 0.0000 | |
| 662 | N | A | -2.2256 | |
| 663 | N | A | -2.2582 | |
| 664 | C | A | 0.0000 | |
| 665 | L | A | 0.0000 | |
| 666 | G | A | -0.5965 | |
| 667 | D | A | -0.7996 | |
| 668 | A | A | -0.6073 | |
| 669 | G | A | 0.0000 | |
| 670 | I | A | 0.0000 | |
| 671 | L | A | -0.7465 | |
| 672 | Q | A | -1.2295 | |
| 673 | L | A | 0.0000 | |
| 674 | V | A | 0.0000 | |
| 675 | E | A | -2.5116 | |
| 676 | S | A | 0.0000 | |
| 677 | V | A | 0.0000 | |
| 678 | R | A | -2.9393 | |
| 679 | G | A | -1.6628 | |
| 680 | S | A | -0.7773 | |
| 681 | G | A | -0.0890 | |
| 682 | Y | A | 0.0000 | |
| 683 | P | A | 0.0000 | |
| 684 | T | A | 0.0565 | |
| 685 | F | A | 0.0000 | |
| 686 | G | A | -1.1120 | |
| 687 | E | A | -2.3077 | |
| 688 | H | A | 0.0000 | |
| 689 | K | A | -3.2192 | |
| 690 | Q | A | -2.9335 | |
| 691 | A | A | 0.0000 | |
| 692 | T | A | -1.4613 | |
| 693 | N | A | -1.2897 | |
| 694 | L | A | 0.0000 | |
| 695 | Q | A | -1.4565 | |
| 696 | Y | A | -0.7569 | |
| 697 | G | A | -0.9434 | |
| 698 | Q | A | 0.0000 | |
| 699 | C | A | -0.5972 | |
| 700 | G | A | 0.0000 | |
| 701 | S | A | -0.3821 | |
| 702 | G | A | 0.0000 | |
| 703 | Q | A | -0.6123 | |
| 704 | L | A | 0.0000 | |
| 705 | V | A | 0.4345 | |
| 706 | L | A | 0.0000 | |
| 707 | Y | A | 0.4265 | |
| 708 | D | A | -1.1554 | |
| 709 | I | A | -0.2329 | |
| 710 | Y | A | 0.5484 | |
| 711 | W | A | -0.2823 | |
| 712 | S | A | -1.6287 | |
| 713 | E | A | -3.5178 | |
| 714 | E | A | -3.6356 | |
| 715 | M | A | 0.0000 | |
| 716 | E | A | -3.1562 | |
| 717 | D | A | -3.9739 | |
| 718 | R | A | -3.1742 | |
| 719 | L | A | -2.7285 | |
| 720 | Q | A | -3.1665 | |
| 721 | A | A | -2.8220 | |
| 722 | L | A | -3.0715 | |
| 723 | E | A | -3.3224 | |
| 724 | K | A | -3.3624 | |
| 725 | D | A | -3.0282 | |
| 726 | G | A | -1.9541 | |
| 727 | S | A | -1.6847 | |
| 728 | G | A | -1.3230 | |
| 729 | Y | A | 0.0000 | |
| 730 | P | A | -0.0371 | |
| 731 | T | A | 0.1486 | |
| 732 | F | A | 0.2458 | |
| 733 | G | A | -1.3413 | |
| 734 | E | A | -2.8507 | |
| 735 | H | A | -2.9868 | |
| 736 | K | A | -3.7063 | |
| 737 | Q | A | -3.0892 | |
| 738 | A | A | -2.2158 | |
| 739 | T | A | -1.3508 | |
| 740 | N | A | -1.3113 | |
| 741 | L | A | -0.4451 | |
| 742 | Q | A | -0.6271 | |
| 743 | Y | A | 0.2839 | |
| 744 | G | A | -0.4964 | |
| 745 | Q | A | -1.1526 | |
| 746 | C | A | -0.7060 | |
| 747 | G | A | -1.0482 | |
| 748 | S | A | -1.3364 | |
| 749 | G | A | 0.0000 | |
| 750 | R | A | -1.9553 | |
| 751 | V | A | 0.0000 | |
| 752 | I | A | -0.0203 | |
| 753 | S | A | 0.2832 |
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, -0.7921 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_1 | -0.7921 | View | CSV | PDB |
| model_5 | -0.7962 | View | CSV | PDB |
| model_7 | -0.8008 | View | CSV | PDB |
| model_9 | -0.815 | View | CSV | PDB |
| model_4 | -0.8155 | View | CSV | PDB |
| model_0 | -0.819 | View | CSV | PDB |
| CABS_average | -0.8259 | View | CSV | PDB |
| model_3 | -0.8321 | View | CSV | PDB |
| model_2 | -0.835 | View | CSV | PDB |
| model_6 | -0.8381 | View | CSV | PDB |
| model_8 | -0.8468 | View | CSV | PDB |
| model_10 | -0.8502 | View | CSV | PDB |
| model_11 | -0.8704 | View | CSV | PDB |
| input | -0.8862 | 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