Project name: C38_A10_EF_GSG
Status: done
Started: 2026-07-21 11:09:10
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGGSNTKPNEAPHPGFTGSGVRLDDCGLTEARCKDISSALRVGSGGSNTKPNEAPHPGFTGSGELNLRSNELGDVGVHCVLQGLQGSGGSNTKPNEAPHPGFTGSGKLSLQNCCLTGAGCGVLSSTLRTGSGGSNTKPNEAPHPGFTGSGELHLSDNLLGDAGLQLLCEGLLGSGGSNTKPNEAPHPGFTGSGKLQLEYCSLSAASCEPLASVLRAGSGGSNTKPNEAPHPGFTGSGELTVSNNDINEAGVRVLCQGLKDGSGGSNTKPNEAPHPGFTGSGALKLESCGVTSDNCRDLCGIVASGSGGSNTKPNEAPHPGFTGSGELALGSNKLGDVGMAELCPGLLGSGGSNTKPNEAPHPGFTGSGTLWIWECGITAKGCGDLCRVLRAGSGGSNTKPNEAPHPGFTGSGELSLAGNELGDEGARLLCETLLGSGGSNTKPNEAPHPGFTGSGSLWVKSCSFTAACCSHFSSVLAQGSGGSNTKPNEAPHPGFTGSGELQISNNRLEDAGVRELCQGLGGSGGSNTKPNEAPHPGFTGSGVLWLADCDVSDSSCSSLAATLLAGSGGSNTKPNEAPHPGFTGSGELDLSNNCLGDAGILQLVESVRGSGGSNTKPNEAPHPGFTGSGQLVLYDIYWSEEMEDRLQALEKDGSGGSNTKPNEAPHPGFTGSGRVIS
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 (00:12:07)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:23:13)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:23:18)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:23:24)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:23:28)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:23:34)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:23:39)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:23:43)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:23:48)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:23:53)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:23:58)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:24:03)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:24:08)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:24:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:24:24)
[INFO] Main: Simulation completed successfully. (02:24:29)
|
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
- -4.7551
- Maximal score value
- 1.7034
- Average score
- -0.7833
- Total score value
- -552.2538
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 | -0.1716 | |
| 2 | L | A | 0.5160 | |
| 3 | D | A | 0.0000 | |
| 4 | I | A | 1.7034 | |
| 5 | Q | A | 0.4167 | |
| 6 | S | A | -0.4903 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.1188 | |
| 9 | I | A | -1.1870 | |
| 10 | Q | A | -2.3333 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.0816 | |
| 13 | E | A | -3.2872 | |
| 14 | L | A | -2.5651 | |
| 15 | S | A | -1.9854 | |
| 16 | D | A | -1.9896 | |
| 17 | A | A | -1.7993 | |
| 18 | R | A | -3.0024 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.8300 | |
| 21 | E | A | -2.5791 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -0.7553 | |
| 25 | L | A | -0.3975 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.5570 | |
| 28 | G | A | -0.0938 | |
| 29 | S | A | -0.2339 | |
| 30 | G | A | -0.1232 | |
| 31 | G | A | -0.2650 | |
| 32 | S | A | -0.4340 | |
| 33 | N | A | -1.4537 | |
| 34 | T | A | -0.9968 | |
| 35 | K | A | 0.0000 | |
| 36 | P | A | -1.2508 | |
| 37 | N | A | -1.6938 | |
| 38 | E | A | -1.1612 | |
| 39 | A | A | -0.7852 | |
| 40 | P | A | -0.9932 | |
| 41 | H | A | 0.0000 | |
| 42 | P | A | 0.0290 | |
| 43 | G | A | 0.0000 | |
| 44 | F | A | 0.0000 | |
| 45 | T | A | 0.0000 | |
| 46 | G | A | 0.1670 | |
| 47 | S | A | 0.0000 | |
| 48 | G | A | -1.1557 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -2.3797 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -2.2075 | |
| 53 | D | A | -2.3679 | |
| 54 | C | A | 0.0000 | |
| 55 | G | A | -1.5423 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -1.2014 | |
| 58 | E | A | -2.1875 | |
| 59 | A | A | -1.8914 | |
| 60 | R | A | -1.9959 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.6075 | |
| 63 | D | A | -2.2267 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | S | A | -0.8758 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | R | A | -0.5547 | |
| 70 | V | A | 0.7442 | |
| 71 | G | A | 0.0881 | |
| 72 | S | A | -0.1020 | |
| 73 | G | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | S | A | 0.0000 | |
| 76 | N | A | -1.2180 | |
| 77 | T | A | -1.2158 | |
| 78 | K | A | -1.3032 | |
| 79 | P | A | -1.2127 | |
| 80 | N | A | 0.0000 | |
| 81 | E | A | 0.0000 | |
| 82 | A | A | -0.2606 | |
| 83 | P | A | -0.5196 | |
| 84 | H | A | 0.0000 | |
| 85 | P | A | -0.2167 | |
| 86 | G | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | G | A | -0.2039 | |
| 90 | S | A | -0.4836 | |
| 91 | G | A | 0.0000 | |
| 92 | E | A | -2.3018 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | -1.5290 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -1.7336 | |
| 97 | S | A | -1.4573 | |
| 98 | N | A | -1.2710 | |
| 99 | E | A | -0.8703 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | 0.2368 | |
| 102 | D | A | 0.4173 | |
| 103 | V | A | 0.9240 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.3626 | |
| 107 | C | A | -0.8182 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -0.9833 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | -0.2397 | |
| 113 | Q | A | -0.5620 | |
| 114 | G | A | -0.4267 | |
| 115 | S | A | -0.2935 | |
| 116 | G | A | 0.0000 | |
| 117 | G | A | -0.4640 | |
| 118 | S | A | -0.9882 | |
| 119 | N | A | -1.6335 | |
| 120 | T | A | 0.0000 | |
| 121 | K | A | 0.0000 | |
| 122 | P | A | -1.3832 | |
| 123 | N | A | -1.7697 | |
| 124 | E | A | -1.2438 | |
| 125 | A | A | -0.8023 | |
| 126 | P | A | 0.0000 | |
| 127 | H | A | 0.0000 | |
| 128 | P | A | -0.4900 | |
| 129 | G | A | 0.0000 | |
| 130 | F | A | -0.1984 | |
| 131 | T | A | 0.0000 | |
| 132 | G | A | -0.3058 | |
| 133 | S | A | -0.7771 | |
| 134 | G | A | 0.0000 | |
| 135 | K | A | -1.2882 | |
| 136 | L | A | -0.5849 | |
| 137 | S | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | 0.0000 | |
| 140 | N | A | -0.5347 | |
| 141 | C | A | 0.2486 | |
| 142 | C | A | 0.0000 | |
| 143 | L | A | 1.0032 | |
| 144 | T | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | A | A | 0.0721 | |
| 147 | G | A | 0.0989 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.3622 | |
| 150 | V | A | -0.2629 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | -0.8207 | |
| 153 | S | A | -0.9484 | |
| 154 | T | A | -0.7680 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -2.1266 | |
| 157 | T | A | -0.9956 | |
| 158 | G | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | G | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | N | A | -1.0981 | |
| 164 | T | A | -1.0227 | |
| 165 | K | A | -1.3553 | |
| 166 | P | A | 0.0000 | |
| 167 | N | A | -1.8747 | |
| 168 | E | A | -1.2923 | |
| 169 | A | A | -0.6295 | |
| 170 | P | A | -0.6655 | |
| 171 | H | A | 0.0000 | |
| 172 | P | A | -0.9045 | |
| 173 | G | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | T | A | -0.2585 | |
| 176 | G | A | -0.4392 | |
| 177 | S | A | -0.5586 | |
| 178 | G | A | -0.4480 | |
| 179 | E | A | -0.7853 | |
| 180 | L | A | -0.1834 | |
| 181 | H | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | D | A | 0.1395 | |
| 185 | N | A | 0.0073 | |
| 186 | L | A | 1.0999 | |
| 187 | L | A | 0.0000 | |
| 188 | G | A | -0.5457 | |
| 189 | D | A | -1.0169 | |
| 190 | A | A | -0.5071 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -1.3095 | |
| 194 | L | A | -0.1699 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | E | A | -1.8689 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | L | A | -0.6578 | |
| 201 | G | A | -0.9523 | |
| 202 | S | A | -0.6180 | |
| 203 | G | A | -0.5950 | |
| 204 | G | A | -0.5905 | |
| 205 | S | A | -0.9614 | |
| 206 | N | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | K | A | -2.0852 | |
| 209 | P | A | -1.8223 | |
| 210 | N | A | -2.4185 | |
| 211 | E | A | -2.6889 | |
| 212 | A | A | -1.6874 | |
| 213 | P | A | -1.1285 | |
| 214 | H | A | 0.0000 | |
| 215 | P | A | -0.5481 | |
| 216 | G | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | T | A | -0.3719 | |
| 219 | G | A | -0.6243 | |
| 220 | S | A | -0.5928 | |
| 221 | G | A | 0.0000 | |
| 222 | K | A | -0.6392 | |
| 223 | L | A | 0.0000 | |
| 224 | Q | A | -0.3144 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -0.0673 | |
| 227 | Y | A | 0.7117 | |
| 228 | C | A | 0.0143 | |
| 229 | S | A | -0.6303 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.3760 | |
| 232 | A | A | -1.3083 | |
| 233 | A | A | -1.0278 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -2.1891 | |
| 237 | P | A | -1.5990 | |
| 238 | L | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | S | A | -1.5842 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | -2.9892 | |
| 244 | A | A | 0.0000 | |
| 245 | G | A | -0.9803 | |
| 246 | S | A | 0.0000 | |
| 247 | G | A | 0.0000 | |
| 248 | G | A | -0.8363 | |
| 249 | S | A | -0.6032 | |
| 250 | N | A | -0.7745 | |
| 251 | T | A | -1.0582 | |
| 252 | K | A | -2.0123 | |
| 253 | P | A | -1.8614 | |
| 254 | N | A | -1.9583 | |
| 255 | E | A | -2.4705 | |
| 256 | A | A | -1.3348 | |
| 257 | P | A | -0.8748 | |
| 258 | H | A | -0.8509 | |
| 259 | P | A | -1.1462 | |
| 260 | G | A | -0.7630 | |
| 261 | F | A | 0.0000 | |
| 262 | T | A | -0.6133 | |
| 263 | G | A | -0.5531 | |
| 264 | S | A | -0.4688 | |
| 265 | G | A | 0.0000 | |
| 266 | E | A | -0.6527 | |
| 267 | L | A | -0.2679 | |
| 268 | T | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | -0.6201 | |
| 271 | N | A | 0.0000 | |
| 272 | N | A | -2.5953 | |
| 273 | D | A | -3.1641 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -2.7020 | |
| 276 | E | A | -2.5813 | |
| 277 | A | A | -1.3016 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -2.3378 | |
| 281 | V | A | -1.5478 | |
| 282 | L | A | -1.1478 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.6837 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -2.9957 | |
| 288 | D | A | -3.3468 | |
| 289 | G | A | -2.6045 | |
| 290 | S | A | -1.6751 | |
| 291 | G | A | -0.7911 | |
| 292 | G | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | N | A | -1.9019 | |
| 295 | T | A | 0.0000 | |
| 296 | K | A | -2.2812 | |
| 297 | P | A | -1.7251 | |
| 298 | N | A | -2.2858 | |
| 299 | E | A | -1.5896 | |
| 300 | A | A | -0.8256 | |
| 301 | P | A | -0.9839 | |
| 302 | H | A | 0.0000 | |
| 303 | P | A | -0.4013 | |
| 304 | G | A | -1.0983 | |
| 305 | F | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | G | A | -0.7349 | |
| 308 | S | A | -0.5469 | |
| 309 | G | A | 0.0000 | |
| 310 | A | A | -0.4706 | |
| 311 | L | A | -0.3272 | |
| 312 | K | A | -0.7219 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -1.1759 | |
| 315 | S | A | -1.2850 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -2.3695 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | -1.9674 | |
| 320 | S | A | -1.6654 | |
| 321 | D | A | -2.7457 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.9760 | |
| 325 | D | A | -2.2142 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | -1.1430 | |
| 328 | G | A | -1.1680 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | A | A | -0.1748 | |
| 332 | S | A | -0.4317 | |
| 333 | G | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | G | A | -0.7873 | |
| 337 | S | A | -1.4322 | |
| 338 | N | A | -2.2726 | |
| 339 | T | A | -2.2460 | |
| 340 | K | A | -3.0158 | |
| 341 | P | A | -2.1660 | |
| 342 | N | A | -2.6011 | |
| 343 | E | A | -2.5309 | |
| 344 | A | A | -1.6596 | |
| 345 | P | A | -1.3397 | |
| 346 | H | A | 0.0000 | |
| 347 | P | A | -0.3988 | |
| 348 | G | A | 0.0000 | |
| 349 | F | A | 0.0000 | |
| 350 | T | A | -0.4232 | |
| 351 | G | A | -0.5873 | |
| 352 | S | A | -0.5929 | |
| 353 | G | A | 0.0000 | |
| 354 | E | A | -0.8359 | |
| 355 | L | A | -0.1178 | |
| 356 | A | A | -0.0952 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | N | A | -2.5004 | |
| 361 | K | A | -2.3003 | |
| 362 | L | A | -1.0243 | |
| 363 | G | A | -0.2091 | |
| 364 | D | A | -0.1193 | |
| 365 | V | A | 0.8630 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.6665 | |
| 369 | E | A | -1.5095 | |
| 370 | L | A | -0.7843 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.8591 | |
| 373 | G | A | 0.0000 | |
| 374 | L | A | 0.0166 | |
| 375 | L | A | -0.2600 | |
| 376 | G | A | -0.2802 | |
| 377 | S | A | -0.3469 | |
| 378 | G | A | -0.4518 | |
| 379 | G | A | 0.0000 | |
| 380 | S | A | -1.0193 | |
| 381 | N | A | -1.7144 | |
| 382 | T | A | -2.1706 | |
| 383 | K | A | -2.8142 | |
| 384 | P | A | -1.9626 | |
| 385 | N | A | -2.6968 | |
| 386 | E | A | -2.5496 | |
| 387 | A | A | 0.0000 | |
| 388 | P | A | -1.1149 | |
| 389 | H | A | 0.0000 | |
| 390 | P | A | -0.1264 | |
| 391 | G | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | T | A | -0.3469 | |
| 394 | G | A | -0.5228 | |
| 395 | S | A | -0.7767 | |
| 396 | G | A | -0.6647 | |
| 397 | T | A | -0.5967 | |
| 398 | L | A | -0.0570 | |
| 399 | W | A | 0.1543 | |
| 400 | I | A | 0.0000 | |
| 401 | W | A | 0.3218 | |
| 402 | E | A | -0.9457 | |
| 403 | C | A | 0.0000 | |
| 404 | G | A | -1.2359 | |
| 405 | I | A | -0.8242 | |
| 406 | T | A | 0.0000 | |
| 407 | A | A | -2.0786 | |
| 408 | K | A | -1.8713 | |
| 409 | G | A | 0.0000 | |
| 410 | C | A | -1.0160 | |
| 411 | G | A | -1.4559 | |
| 412 | D | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | C | A | 0.0000 | |
| 415 | R | A | -2.0641 | |
| 416 | V | A | 0.0000 | |
| 417 | L | A | -1.1964 | |
| 418 | R | A | -2.3563 | |
| 419 | A | A | -1.3380 | |
| 420 | G | A | 0.0000 | |
| 421 | S | A | 0.0000 | |
| 422 | G | A | 0.0000 | |
| 423 | G | A | -0.6806 | |
| 424 | S | A | -0.9850 | |
| 425 | N | A | 0.0000 | |
| 426 | T | A | -1.5930 | |
| 427 | K | A | -2.6322 | |
| 428 | P | A | -2.1515 | |
| 429 | N | A | 0.0000 | |
| 430 | E | A | -2.9109 | |
| 431 | A | A | -2.0255 | |
| 432 | P | A | -1.2135 | |
| 433 | H | A | 0.0000 | |
| 434 | P | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | F | A | -0.1198 | |
| 437 | T | A | -0.2921 | |
| 438 | G | A | -0.6108 | |
| 439 | S | A | -0.7536 | |
| 440 | G | A | -0.8875 | |
| 441 | E | A | -1.3900 | |
| 442 | L | A | -0.2166 | |
| 443 | S | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | G | A | -1.1544 | |
| 447 | N | A | -2.2012 | |
| 448 | E | A | -2.8406 | |
| 449 | L | A | 0.0000 | |
| 450 | G | A | -2.3042 | |
| 451 | D | A | -2.9046 | |
| 452 | E | A | -3.0669 | |
| 453 | G | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | R | A | -2.9241 | |
| 456 | L | A | -2.0810 | |
| 457 | L | A | -0.8940 | |
| 458 | C | A | 0.0000 | |
| 459 | E | A | -1.9216 | |
| 460 | T | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | L | A | 0.4254 | |
| 463 | G | A | -0.0208 | |
| 464 | S | A | 0.0000 | |
| 465 | G | A | 0.0000 | |
| 466 | G | A | -0.5623 | |
| 467 | S | A | -1.1596 | |
| 468 | N | A | -1.7467 | |
| 469 | T | A | -1.5749 | |
| 470 | K | A | -2.6017 | |
| 471 | P | A | -2.4596 | |
| 472 | N | A | -2.8009 | |
| 473 | E | A | 0.0000 | |
| 474 | A | A | -1.4218 | |
| 475 | P | A | 0.0000 | |
| 476 | H | A | -0.9234 | |
| 477 | P | A | 0.0000 | |
| 478 | G | A | 0.0000 | |
| 479 | F | A | 0.0000 | |
| 480 | T | A | -0.2334 | |
| 481 | G | A | -0.3620 | |
| 482 | S | A | -0.7820 | |
| 483 | G | A | 0.0000 | |
| 484 | S | A | -0.7772 | |
| 485 | L | A | -0.2159 | |
| 486 | W | A | 0.2890 | |
| 487 | V | A | 0.3973 | |
| 488 | K | A | -0.3277 | |
| 489 | S | A | -0.8287 | |
| 490 | C | A | -1.3982 | |
| 491 | S | A | -1.9080 | |
| 492 | F | A | 0.0000 | |
| 493 | T | A | -1.7436 | |
| 494 | A | A | -1.7094 | |
| 495 | A | A | 0.0000 | |
| 496 | C | A | -1.2779 | |
| 497 | C | A | 0.0000 | |
| 498 | S | A | -1.0130 | |
| 499 | H | A | -1.2778 | |
| 500 | F | A | 0.0000 | |
| 501 | S | A | -1.0762 | |
| 502 | S | A | -0.8747 | |
| 503 | V | A | -0.3785 | |
| 504 | L | A | 0.0000 | |
| 505 | A | A | -1.1598 | |
| 506 | Q | A | -1.3206 | |
| 507 | G | A | 0.0000 | |
| 508 | S | A | 0.0000 | |
| 509 | G | A | 0.0000 | |
| 510 | G | A | -0.7969 | |
| 511 | S | A | -0.9417 | |
| 512 | N | A | 0.0000 | |
| 513 | T | A | -1.6450 | |
| 514 | K | A | 0.0000 | |
| 515 | P | A | -1.8750 | |
| 516 | N | A | -2.4377 | |
| 517 | E | A | -2.0226 | |
| 518 | A | A | -1.2369 | |
| 519 | P | A | -0.8743 | |
| 520 | H | A | 0.0000 | |
| 521 | P | A | -0.4603 | |
| 522 | G | A | 0.0000 | |
| 523 | F | A | 0.0000 | |
| 524 | T | A | -0.2556 | |
| 525 | G | A | -0.4665 | |
| 526 | S | A | -0.6247 | |
| 527 | G | A | 0.0000 | |
| 528 | E | A | -1.0637 | |
| 529 | L | A | 0.0000 | |
| 530 | Q | A | -0.1865 | |
| 531 | I | A | 0.0000 | |
| 532 | S | A | -1.2342 | |
| 533 | N | A | -2.4627 | |
| 534 | N | A | -2.7284 | |
| 535 | R | A | -3.1865 | |
| 536 | L | A | 0.0000 | |
| 537 | E | A | -3.3261 | |
| 538 | D | A | -2.4794 | |
| 539 | A | A | -1.7478 | |
| 540 | G | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | R | A | -2.6704 | |
| 543 | E | A | -2.2917 | |
| 544 | L | A | 0.0000 | |
| 545 | C | A | 0.0000 | |
| 546 | Q | A | -2.0728 | |
| 547 | G | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | G | A | -0.8668 | |
| 550 | G | A | -1.1427 | |
| 551 | S | A | -0.9110 | |
| 552 | G | A | 0.0000 | |
| 553 | G | A | 0.0000 | |
| 554 | S | A | -1.1089 | |
| 555 | N | A | -1.3204 | |
| 556 | T | A | -1.5097 | |
| 557 | K | A | -2.2648 | |
| 558 | P | A | -1.6844 | |
| 559 | N | A | -1.8803 | |
| 560 | E | A | 0.0000 | |
| 561 | A | A | -0.9482 | |
| 562 | P | A | 0.0000 | |
| 563 | H | A | -1.4212 | |
| 564 | P | A | 0.0000 | |
| 565 | G | A | 0.0000 | |
| 566 | F | A | 0.0000 | |
| 567 | T | A | -0.4864 | |
| 568 | G | A | -0.4190 | |
| 569 | S | A | -0.6421 | |
| 570 | G | A | 0.0000 | |
| 571 | V | A | 0.0000 | |
| 572 | L | A | 0.0000 | |
| 573 | W | A | -0.2883 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | -1.1217 | |
| 576 | D | A | -2.2741 | |
| 577 | C | A | 0.0000 | |
| 578 | D | A | -2.5823 | |
| 579 | V | A | 0.0000 | |
| 580 | S | A | -1.8264 | |
| 581 | D | A | -1.8676 | |
| 582 | S | A | -1.3002 | |
| 583 | S | A | 0.0000 | |
| 584 | C | A | 0.0000 | |
| 585 | S | A | -0.9602 | |
| 586 | S | A | -1.0518 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | 0.0000 | |
| 589 | A | A | -0.0174 | |
| 590 | T | A | 0.0000 | |
| 591 | L | A | 0.0000 | |
| 592 | L | A | 0.0388 | |
| 593 | A | A | 0.0264 | |
| 594 | G | A | -0.2123 | |
| 595 | S | A | 0.0000 | |
| 596 | G | A | 0.0000 | |
| 597 | G | A | -0.8788 | |
| 598 | S | A | -0.8167 | |
| 599 | N | A | -1.3280 | |
| 600 | T | A | 0.0000 | |
| 601 | K | A | 0.0000 | |
| 602 | P | A | -1.6779 | |
| 603 | N | A | -2.3188 | |
| 604 | E | A | -2.1192 | |
| 605 | A | A | -1.2150 | |
| 606 | P | A | -0.8798 | |
| 607 | H | A | 0.0000 | |
| 608 | P | A | 0.0000 | |
| 609 | G | A | 0.0000 | |
| 610 | F | A | 0.0000 | |
| 611 | T | A | -0.4105 | |
| 612 | G | A | -0.5732 | |
| 613 | S | A | -0.5574 | |
| 614 | G | A | 0.0000 | |
| 615 | E | A | -0.8915 | |
| 616 | L | A | 0.0000 | |
| 617 | D | A | 0.0064 | |
| 618 | L | A | 0.0000 | |
| 619 | S | A | -0.7094 | |
| 620 | N | A | -1.7407 | |
| 621 | N | A | -1.9520 | |
| 622 | C | A | 0.0000 | |
| 623 | L | A | 0.0000 | |
| 624 | G | A | -0.6061 | |
| 625 | D | A | -0.2797 | |
| 626 | A | A | -0.4153 | |
| 627 | G | A | 0.0000 | |
| 628 | I | A | 0.0000 | |
| 629 | L | A | -0.4072 | |
| 630 | Q | A | -0.9767 | |
| 631 | L | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | E | A | -1.7253 | |
| 634 | S | A | -1.1546 | |
| 635 | V | A | 0.0000 | |
| 636 | R | A | -2.4293 | |
| 637 | G | A | 0.0000 | |
| 638 | S | A | 0.0000 | |
| 639 | G | A | 0.0000 | |
| 640 | G | A | 0.0000 | |
| 641 | S | A | -0.8979 | |
| 642 | N | A | 0.0000 | |
| 643 | T | A | -1.0507 | |
| 644 | K | A | -1.8033 | |
| 645 | P | A | -1.8181 | |
| 646 | N | A | -2.3499 | |
| 647 | E | A | -2.7348 | |
| 648 | A | A | 0.0000 | |
| 649 | P | A | -1.0880 | |
| 650 | H | A | -0.7017 | |
| 651 | P | A | -0.6151 | |
| 652 | G | A | 0.0000 | |
| 653 | F | A | 0.0000 | |
| 654 | T | A | 0.0000 | |
| 655 | G | A | -1.0677 | |
| 656 | S | A | 0.0000 | |
| 657 | G | A | 0.0000 | |
| 658 | Q | A | -1.0168 | |
| 659 | L | A | 0.0000 | |
| 660 | V | A | 0.3646 | |
| 661 | L | A | 0.0000 | |
| 662 | Y | A | 0.3047 | |
| 663 | D | A | -1.4299 | |
| 664 | I | A | -0.6584 | |
| 665 | Y | A | -0.0087 | |
| 666 | W | A | -0.1215 | |
| 667 | S | A | -1.8099 | |
| 668 | E | A | -3.7930 | |
| 669 | E | A | -4.0795 | |
| 670 | M | A | 0.0000 | |
| 671 | E | A | -4.0609 | |
| 672 | D | A | -4.7551 | |
| 673 | R | A | -3.7798 | |
| 674 | L | A | 0.0000 | |
| 675 | Q | A | -3.8848 | |
| 676 | A | A | -3.1519 | |
| 677 | L | A | -3.0282 | |
| 678 | E | A | -3.7519 | |
| 679 | K | A | -3.4525 | |
| 680 | D | A | -2.8347 | |
| 681 | G | A | -2.1295 | |
| 682 | S | A | -1.2813 | |
| 683 | G | A | -1.0500 | |
| 684 | G | A | -1.0440 | |
| 685 | S | A | -1.0412 | |
| 686 | N | A | -1.1671 | |
| 687 | T | A | -0.9968 | |
| 688 | K | A | -1.6348 | |
| 689 | P | A | -1.4570 | |
| 690 | N | A | -1.8641 | |
| 691 | E | A | -1.7041 | |
| 692 | A | A | -1.0306 | |
| 693 | P | A | -0.8675 | |
| 694 | H | A | -0.8573 | |
| 695 | P | A | -0.8575 | |
| 696 | G | A | -0.9526 | |
| 697 | F | A | -1.1325 | |
| 698 | T | A | 0.0000 | |
| 699 | G | A | -1.0877 | |
| 700 | S | A | 0.0000 | |
| 701 | G | A | 0.0000 | |
| 702 | R | A | -2.9109 | |
| 703 | V | A | 0.0000 | |
| 704 | I | A | -0.9380 | |
| 705 | S | A | -0.9410 |
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, -0.7833 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_6 | -0.7833 | View | CSV | PDB |
| model_0 | -0.7924 | View | CSV | PDB |
| model_4 | -0.8003 | View | CSV | PDB |
| model_9 | -0.8054 | View | CSV | PDB |
| model_10 | -0.8121 | View | CSV | PDB |
| CABS_average | -0.817 | View | CSV | PDB |
| model_8 | -0.8171 | View | CSV | PDB |
| model_5 | -0.8205 | View | CSV | PDB |
| model_1 | -0.8254 | View | CSV | PDB |
| model_3 | -0.8264 | View | CSV | PDB |
| model_2 | -0.8301 | View | CSV | PDB |
| model_11 | -0.8435 | View | CSV | PDB |
| model_7 | -0.8469 | View | CSV | PDB |
| input | -0.8825 | 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