Project name: C02_A71_EF_A10_EF_GSG
Status: done
Started: 2026-07-21 11:02:08
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGTEDSHPPYKQTQPGAGSGVRLDDCGLTEARCKDISSALRVGSGTEDSHPPYKQTQPGAGSGELNLRSNELGDVGVHCVLQGLQGSGTEDSHPPYKQTQPGAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGTEDSHPPYKQTQPGAGSGELHLSDNLLGDAGLQLLCEGLLGSGTEDSHPPYKQTQPGAGSGKLQLEYCSLSAASCEPLASVLRAGSGTEDSHPPYKQTQPGAGSGELTVSNNDINEAGVRVLCQGLKDGSGTEDSHPPYKQTQPGAGSGALKLESCGVTSDNCRDLCGIVASGSGTEDSHPPYKQTQPGAGSGELALGSNKLGDVGMAELCPGLLGSGGSNTKPNEAPHPGFTGSGTLWIWECGITAKGCGDLCRVLRAGSGGSNTKPNEAPHPGFTGSGELSLAGNELGDEGARLLCETLLGSGGSNTKPNEAPHPGFTGSGSLWVKSCSFTAACCSHFSSVLAQGSGGSNTKPNEAPHPGFTGSGELQISNNRLEDAGVRELCQGLGGSGGSNTKPNEAPHPGFTGSGVLWLADCDVSDSSCSSLAATLLAGSGGSNTKPNEAPHPGFTGSGELDLSNNCLGDAGILQLVESVRGSGGSNTKPNEAPHPGFTGSGQLVLYDIYWSEEMEDRLQALEKDGSGGSNTKPNEAPHPGFTGSGRVIS
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 (00:10:52)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:38:53)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:38:58)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:39:04)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:39:11)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:39:16)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:39:23)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:39:30)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:39:35)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:39:41)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:39:48)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:39:54)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:40:01)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:40:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:40:22)
[INFO] Main: Simulation completed successfully. (02:40:29)
|
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
- -5.0193
- Maximal score value
- 1.8065
- Average score
- -0.8185
- Total score value
- -577.0155
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 | -0.1908 | |
| 2 | L | A | 0.1497 | |
| 3 | D | A | -0.1395 | |
| 4 | I | A | 0.7210 | |
| 5 | Q | A | -0.0526 | |
| 6 | S | A | -0.8487 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.4564 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.8480 | |
| 11 | C | A | -2.5593 | |
| 12 | E | A | -3.1695 | |
| 13 | E | A | -3.0189 | |
| 14 | L | A | -2.3985 | |
| 15 | S | A | -2.3749 | |
| 16 | D | A | -2.4024 | |
| 17 | A | A | -1.9630 | |
| 18 | R | A | -2.9432 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5920 | |
| 21 | E | A | -2.2725 | |
| 22 | L | A | -0.7883 | |
| 23 | L | A | 0.1843 | |
| 24 | P | A | 0.1146 | |
| 25 | L | A | 0.5687 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.3034 | |
| 28 | G | A | 0.0000 | |
| 29 | S | A | -0.4101 | |
| 30 | G | A | -0.9672 | |
| 31 | T | A | -1.2836 | |
| 32 | E | A | 0.0000 | |
| 33 | D | A | -1.9114 | |
| 34 | S | A | -1.4384 | |
| 35 | H | A | -1.3307 | |
| 36 | P | A | -0.7156 | |
| 37 | P | A | -0.2439 | |
| 38 | Y | A | 0.1936 | |
| 39 | K | A | -0.8428 | |
| 40 | Q | A | -1.1050 | |
| 41 | T | A | 0.0000 | |
| 42 | Q | A | 0.0000 | |
| 43 | P | A | -0.5186 | |
| 44 | G | A | 0.0000 | |
| 45 | A | A | 0.0000 | |
| 46 | G | A | -0.4183 | |
| 47 | S | A | 0.0000 | |
| 48 | G | A | -1.0824 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -2.4694 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -2.7627 | |
| 53 | D | A | -2.9565 | |
| 54 | C | A | -2.6510 | |
| 55 | G | A | -2.1611 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -2.0574 | |
| 58 | E | A | -2.3844 | |
| 59 | A | A | -1.5835 | |
| 60 | R | A | -2.1594 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.4158 | |
| 63 | D | A | -1.7418 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | S | A | -1.0702 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | R | A | -1.7718 | |
| 70 | V | A | 0.5523 | |
| 71 | G | A | -0.3742 | |
| 72 | S | A | -0.5476 | |
| 73 | G | A | -0.7506 | |
| 74 | T | A | -1.2781 | |
| 75 | E | A | -2.0638 | |
| 76 | D | A | -1.6998 | |
| 77 | S | A | -1.2976 | |
| 78 | H | A | -1.3228 | |
| 79 | P | A | -0.7386 | |
| 80 | P | A | -0.7587 | |
| 81 | Y | A | -0.8900 | |
| 82 | K | A | -1.3363 | |
| 83 | Q | A | -1.1910 | |
| 84 | T | A | -0.8412 | |
| 85 | Q | A | -1.0214 | |
| 86 | P | A | -0.7680 | |
| 87 | G | A | -0.6097 | |
| 88 | A | A | -0.3027 | |
| 89 | G | A | -0.7734 | |
| 90 | S | A | -0.6608 | |
| 91 | G | A | -0.8678 | |
| 92 | E | A | -1.3108 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | -1.3139 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -2.4385 | |
| 97 | S | A | 0.0000 | |
| 98 | N | A | -2.3705 | |
| 99 | E | A | -2.8292 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -1.3236 | |
| 102 | D | A | -1.2419 | |
| 103 | V | A | 0.0139 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.9542 | |
| 107 | C | A | -1.3010 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -2.0439 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | -1.4130 | |
| 113 | Q | A | -2.4174 | |
| 114 | G | A | -1.8051 | |
| 115 | S | A | -1.4964 | |
| 116 | G | A | -1.7523 | |
| 117 | T | A | -1.7884 | |
| 118 | E | A | -2.7209 | |
| 119 | D | A | -1.7344 | |
| 120 | S | A | -1.0651 | |
| 121 | H | A | -0.7752 | |
| 122 | P | A | -0.3874 | |
| 123 | P | A | -0.3552 | |
| 124 | Y | A | -0.2915 | |
| 125 | K | A | -1.6283 | |
| 126 | Q | A | 0.0000 | |
| 127 | T | A | -0.8880 | |
| 128 | Q | A | -1.1093 | |
| 129 | P | A | 0.0000 | |
| 130 | G | A | -0.6516 | |
| 131 | A | A | -0.6167 | |
| 132 | G | A | -0.8945 | |
| 133 | S | A | -0.8518 | |
| 134 | G | A | -0.8946 | |
| 135 | K | A | -0.9586 | |
| 136 | L | A | -0.3397 | |
| 137 | S | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.2719 | |
| 140 | N | A | -1.3706 | |
| 141 | C | A | 0.0000 | |
| 142 | C | A | -0.6466 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | 0.0908 | |
| 145 | G | A | 0.0111 | |
| 146 | A | A | -0.2856 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.0799 | |
| 150 | V | A | -0.4104 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | S | A | -1.2645 | |
| 154 | T | A | 0.0000 | |
| 155 | L | A | -1.2007 | |
| 156 | R | A | -2.3533 | |
| 157 | T | A | -2.1980 | |
| 158 | G | A | -1.5390 | |
| 159 | S | A | -1.2535 | |
| 160 | G | A | 0.0000 | |
| 161 | T | A | 0.0000 | |
| 162 | E | A | -1.1713 | |
| 163 | D | A | 0.0000 | |
| 164 | S | A | -0.6975 | |
| 165 | H | A | 0.0000 | |
| 166 | P | A | -0.4427 | |
| 167 | P | A | -0.6351 | |
| 168 | Y | A | -0.1526 | |
| 169 | K | A | -1.5443 | |
| 170 | Q | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | Q | A | 0.0000 | |
| 173 | P | A | -0.6541 | |
| 174 | G | A | -0.8973 | |
| 175 | A | A | -0.7894 | |
| 176 | G | A | -0.9481 | |
| 177 | S | A | -0.9150 | |
| 178 | G | A | -0.8508 | |
| 179 | E | A | -0.8098 | |
| 180 | L | A | 0.0000 | |
| 181 | H | A | -0.7009 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | D | A | -0.5581 | |
| 185 | N | A | 0.0000 | |
| 186 | L | A | 1.2907 | |
| 187 | L | A | 0.0000 | |
| 188 | G | A | -0.3112 | |
| 189 | D | A | -1.0056 | |
| 190 | A | A | -0.5486 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -0.8913 | |
| 194 | L | A | 0.0952 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | E | A | -1.0369 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | -0.1265 | |
| 200 | L | A | 0.1461 | |
| 201 | G | A | -0.5864 | |
| 202 | S | A | -1.1960 | |
| 203 | G | A | -1.6381 | |
| 204 | T | A | -1.4796 | |
| 205 | E | A | -1.5575 | |
| 206 | D | A | -1.9008 | |
| 207 | S | A | -1.3789 | |
| 208 | H | A | -1.8584 | |
| 209 | P | A | -1.4199 | |
| 210 | P | A | -0.7099 | |
| 211 | Y | A | 0.0000 | |
| 212 | K | A | -0.8750 | |
| 213 | Q | A | 0.0000 | |
| 214 | T | A | -0.8334 | |
| 215 | Q | A | -0.8998 | |
| 216 | P | A | -0.6112 | |
| 217 | G | A | -0.6619 | |
| 218 | A | A | -0.5461 | |
| 219 | G | A | -0.9252 | |
| 220 | S | A | -0.8968 | |
| 221 | G | A | -1.0165 | |
| 222 | K | A | -0.9112 | |
| 223 | L | A | 0.0000 | |
| 224 | Q | A | -0.5878 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -0.7103 | |
| 227 | Y | A | -0.0076 | |
| 228 | C | A | 0.0000 | |
| 229 | S | A | -0.4502 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.2982 | |
| 232 | A | A | -1.2854 | |
| 233 | A | A | -0.9435 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -2.2377 | |
| 237 | P | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | S | A | -1.2176 | |
| 241 | V | A | -0.4470 | |
| 242 | L | A | -1.3067 | |
| 243 | R | A | -2.6061 | |
| 244 | A | A | -0.8176 | |
| 245 | G | A | -0.9649 | |
| 246 | S | A | -1.0398 | |
| 247 | G | A | -1.6455 | |
| 248 | T | A | -2.2255 | |
| 249 | E | A | -3.1468 | |
| 250 | D | A | -3.1248 | |
| 251 | S | A | 0.0000 | |
| 252 | H | A | -1.3203 | |
| 253 | P | A | -0.5617 | |
| 254 | P | A | 0.0523 | |
| 255 | Y | A | 0.5555 | |
| 256 | K | A | 0.0000 | |
| 257 | Q | A | -0.9935 | |
| 258 | T | A | 0.0000 | |
| 259 | Q | A | 0.0000 | |
| 260 | P | A | 0.0000 | |
| 261 | G | A | -0.8081 | |
| 262 | A | A | -0.6326 | |
| 263 | G | A | -0.6597 | |
| 264 | S | A | -0.7618 | |
| 265 | G | A | -0.7874 | |
| 266 | E | A | -1.0989 | |
| 267 | L | A | 0.0000 | |
| 268 | T | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | -1.0793 | |
| 271 | N | A | -1.5136 | |
| 272 | N | A | 0.0000 | |
| 273 | D | A | -1.8047 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -2.1743 | |
| 276 | E | A | -2.0120 | |
| 277 | A | A | -1.5660 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -2.8525 | |
| 281 | V | A | -1.7340 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.6915 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | -1.7102 | |
| 287 | K | A | -2.8082 | |
| 288 | D | A | -2.9419 | |
| 289 | G | A | -2.1902 | |
| 290 | S | A | 0.0000 | |
| 291 | G | A | -1.8662 | |
| 292 | T | A | 0.0000 | |
| 293 | E | A | -2.1230 | |
| 294 | D | A | -1.7713 | |
| 295 | S | A | -0.7231 | |
| 296 | H | A | -0.8613 | |
| 297 | P | A | -0.4387 | |
| 298 | P | A | -0.3325 | |
| 299 | Y | A | -0.3301 | |
| 300 | K | A | -1.3521 | |
| 301 | Q | A | 0.0000 | |
| 302 | T | A | -1.3027 | |
| 303 | Q | A | 0.0000 | |
| 304 | P | A | 0.0000 | |
| 305 | G | A | -1.1862 | |
| 306 | A | A | -0.7283 | |
| 307 | G | A | -0.7535 | |
| 308 | S | A | -0.5772 | |
| 309 | G | A | -0.6620 | |
| 310 | A | A | -0.7673 | |
| 311 | L | A | -0.5412 | |
| 312 | K | A | -1.1034 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -0.9587 | |
| 315 | S | A | -1.2962 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -1.1730 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | -1.1736 | |
| 320 | S | A | -1.3413 | |
| 321 | D | A | -1.8247 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.3505 | |
| 325 | D | A | -2.2199 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | -0.6986 | |
| 328 | G | A | -0.8874 | |
| 329 | I | A | -0.5525 | |
| 330 | V | A | -0.2104 | |
| 331 | A | A | -0.0939 | |
| 332 | S | A | -0.4980 | |
| 333 | G | A | -0.5683 | |
| 334 | S | A | -0.4066 | |
| 335 | G | A | -0.9147 | |
| 336 | T | A | -1.3104 | |
| 337 | E | A | -2.4003 | |
| 338 | D | A | 0.0000 | |
| 339 | S | A | -1.3646 | |
| 340 | H | A | 0.0000 | |
| 341 | P | A | -0.6808 | |
| 342 | P | A | -0.6584 | |
| 343 | Y | A | -0.7314 | |
| 344 | K | A | -1.9537 | |
| 345 | Q | A | -2.0022 | |
| 346 | T | A | -1.8941 | |
| 347 | Q | A | -1.5804 | |
| 348 | P | A | -0.8615 | |
| 349 | G | A | -0.5175 | |
| 350 | A | A | -0.5622 | |
| 351 | G | A | -0.6809 | |
| 352 | S | A | -0.7128 | |
| 353 | G | A | -0.6126 | |
| 354 | E | A | -1.0884 | |
| 355 | L | A | -0.3203 | |
| 356 | A | A | -0.1807 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | -1.0635 | |
| 360 | N | A | 0.0000 | |
| 361 | K | A | -2.2953 | |
| 362 | L | A | 0.0000 | |
| 363 | G | A | -1.4666 | |
| 364 | D | A | -1.9228 | |
| 365 | V | A | 0.0783 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.7020 | |
| 369 | E | A | -0.9481 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.5291 | |
| 373 | G | A | 0.0000 | |
| 374 | L | A | 0.3537 | |
| 375 | L | A | 0.2728 | |
| 376 | G | A | 0.0393 | |
| 377 | S | A | 0.0000 | |
| 378 | G | A | -0.2838 | |
| 379 | G | A | 0.0000 | |
| 380 | S | A | -0.5603 | |
| 381 | N | A | 0.0000 | |
| 382 | T | A | -1.5889 | |
| 383 | K | A | -2.3236 | |
| 384 | P | A | -2.2711 | |
| 385 | N | A | -2.6180 | |
| 386 | E | A | -2.4748 | |
| 387 | A | A | -1.6257 | |
| 388 | P | A | -1.7003 | |
| 389 | H | A | 0.0000 | |
| 390 | P | A | 0.0000 | |
| 391 | G | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | T | A | -0.2961 | |
| 394 | G | A | -0.6067 | |
| 395 | S | A | -0.7506 | |
| 396 | G | A | 0.0000 | |
| 397 | T | A | -0.6002 | |
| 398 | L | A | 0.0000 | |
| 399 | W | A | 0.2397 | |
| 400 | I | A | 0.0000 | |
| 401 | W | A | -0.2086 | |
| 402 | E | A | -2.2261 | |
| 403 | C | A | 0.0000 | |
| 404 | G | A | -2.2057 | |
| 405 | I | A | 0.0000 | |
| 406 | T | A | -1.9957 | |
| 407 | A | A | -2.0305 | |
| 408 | K | A | -2.4847 | |
| 409 | G | A | 0.0000 | |
| 410 | C | A | 0.0000 | |
| 411 | G | A | -1.7453 | |
| 412 | D | A | -1.6578 | |
| 413 | L | A | 0.0000 | |
| 414 | C | A | -1.7770 | |
| 415 | R | A | -2.4752 | |
| 416 | V | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | R | A | -2.5288 | |
| 419 | A | A | -1.5129 | |
| 420 | G | A | 0.0000 | |
| 421 | S | A | 0.0000 | |
| 422 | G | A | 0.0000 | |
| 423 | G | A | -0.7675 | |
| 424 | S | A | 0.0000 | |
| 425 | N | A | -1.8442 | |
| 426 | T | A | -2.3518 | |
| 427 | K | A | -2.8870 | |
| 428 | P | A | -2.0829 | |
| 429 | N | A | -1.9082 | |
| 430 | E | A | -2.3209 | |
| 431 | A | A | 0.0000 | |
| 432 | P | A | -1.0536 | |
| 433 | H | A | 0.0000 | |
| 434 | P | A | -0.8209 | |
| 435 | G | A | 0.0000 | |
| 436 | F | A | 0.0000 | |
| 437 | T | A | -0.3973 | |
| 438 | G | A | -0.6695 | |
| 439 | S | A | -0.7236 | |
| 440 | G | A | 0.0000 | |
| 441 | E | A | -0.8041 | |
| 442 | L | A | -0.0285 | |
| 443 | S | A | 0.2663 | |
| 444 | L | A | 0.0000 | |
| 445 | A | A | -0.8502 | |
| 446 | G | A | -1.9834 | |
| 447 | N | A | -2.7236 | |
| 448 | E | A | -2.8818 | |
| 449 | L | A | 0.0000 | |
| 450 | G | A | -1.7761 | |
| 451 | D | A | -1.7330 | |
| 452 | E | A | -2.4057 | |
| 453 | G | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | R | A | -1.5701 | |
| 456 | L | A | -1.2190 | |
| 457 | L | A | 0.0000 | |
| 458 | C | A | 0.0000 | |
| 459 | E | A | -1.3370 | |
| 460 | T | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | L | A | 0.0678 | |
| 463 | G | A | -0.5219 | |
| 464 | S | A | 0.0000 | |
| 465 | G | A | 0.0000 | |
| 466 | G | A | -0.1687 | |
| 467 | S | A | -0.4664 | |
| 468 | N | A | 0.0000 | |
| 469 | T | A | -0.8182 | |
| 470 | K | A | 0.0000 | |
| 471 | P | A | -1.4292 | |
| 472 | N | A | -1.7857 | |
| 473 | E | A | -1.4881 | |
| 474 | A | A | -0.9468 | |
| 475 | P | A | -0.9653 | |
| 476 | H | A | -0.6152 | |
| 477 | P | A | -0.5303 | |
| 478 | G | A | 0.0000 | |
| 479 | F | A | 0.0000 | |
| 480 | T | A | -0.5393 | |
| 481 | G | A | -0.7692 | |
| 482 | S | A | -0.7385 | |
| 483 | G | A | 0.0000 | |
| 484 | S | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | W | A | 0.3926 | |
| 487 | V | A | 0.0000 | |
| 488 | K | A | -0.7787 | |
| 489 | S | A | -1.2796 | |
| 490 | C | A | 0.0000 | |
| 491 | S | A | -1.5600 | |
| 492 | F | A | 0.0000 | |
| 493 | T | A | -1.3995 | |
| 494 | A | A | -1.3291 | |
| 495 | A | A | -0.5123 | |
| 496 | C | A | 0.0000 | |
| 497 | C | A | 0.0000 | |
| 498 | S | A | -0.9105 | |
| 499 | H | A | -0.7861 | |
| 500 | F | A | 0.0000 | |
| 501 | S | A | -0.8518 | |
| 502 | S | A | -0.5435 | |
| 503 | V | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | A | A | 0.0000 | |
| 506 | Q | A | 0.0000 | |
| 507 | G | A | 0.0000 | |
| 508 | S | A | 0.0000 | |
| 509 | G | A | 0.0000 | |
| 510 | G | A | -0.8188 | |
| 511 | S | A | -1.2400 | |
| 512 | N | A | -1.8430 | |
| 513 | T | A | -2.2518 | |
| 514 | K | A | -2.8715 | |
| 515 | P | A | -2.1734 | |
| 516 | N | A | -2.1694 | |
| 517 | E | A | 0.0000 | |
| 518 | A | A | -1.0707 | |
| 519 | P | A | -0.7046 | |
| 520 | H | A | -0.6801 | |
| 521 | P | A | -0.4580 | |
| 522 | G | A | 0.0000 | |
| 523 | F | A | 0.0000 | |
| 524 | T | A | -0.4901 | |
| 525 | G | A | -0.6135 | |
| 526 | S | A | -0.5196 | |
| 527 | G | A | 0.0000 | |
| 528 | E | A | -0.4440 | |
| 529 | L | A | 0.0000 | |
| 530 | Q | A | 0.1172 | |
| 531 | I | A | 0.0000 | |
| 532 | S | A | 0.0000 | |
| 533 | N | A | -2.4848 | |
| 534 | N | A | 0.0000 | |
| 535 | R | A | -3.3010 | |
| 536 | L | A | 0.0000 | |
| 537 | E | A | -3.3332 | |
| 538 | D | A | -2.9611 | |
| 539 | A | A | -2.0188 | |
| 540 | G | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | R | A | -3.0406 | |
| 543 | E | A | -2.1479 | |
| 544 | L | A | 0.0000 | |
| 545 | C | A | 0.0000 | |
| 546 | Q | A | -2.0926 | |
| 547 | G | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | G | A | -0.6102 | |
| 550 | G | A | -0.8826 | |
| 551 | S | A | -0.7133 | |
| 552 | G | A | -0.6931 | |
| 553 | G | A | -0.5699 | |
| 554 | S | A | -0.7945 | |
| 555 | N | A | 0.0000 | |
| 556 | T | A | -1.6953 | |
| 557 | K | A | -2.7988 | |
| 558 | P | A | -2.2372 | |
| 559 | N | A | -2.5722 | |
| 560 | E | A | -2.0407 | |
| 561 | A | A | -1.0063 | |
| 562 | P | A | -0.7428 | |
| 563 | H | A | 0.0000 | |
| 564 | P | A | 0.0000 | |
| 565 | G | A | 0.0000 | |
| 566 | F | A | 0.0000 | |
| 567 | T | A | -0.4296 | |
| 568 | G | A | -0.6137 | |
| 569 | S | A | -0.5512 | |
| 570 | G | A | 0.0000 | |
| 571 | V | A | 0.0000 | |
| 572 | L | A | 0.0000 | |
| 573 | W | A | 0.1435 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | -1.5727 | |
| 576 | D | A | -2.9617 | |
| 577 | C | A | 0.0000 | |
| 578 | D | A | -2.3806 | |
| 579 | V | A | 0.0000 | |
| 580 | S | A | -0.8682 | |
| 581 | D | A | -1.0108 | |
| 582 | S | A | -1.3434 | |
| 583 | S | A | 0.0000 | |
| 584 | C | A | 0.0000 | |
| 585 | S | A | -0.7943 | |
| 586 | S | A | 0.0000 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | 0.0000 | |
| 589 | A | A | 0.0051 | |
| 590 | T | A | -0.1252 | |
| 591 | L | A | 0.0000 | |
| 592 | L | A | 0.6166 | |
| 593 | A | A | 0.4490 | |
| 594 | G | A | 0.0000 | |
| 595 | S | A | 0.0000 | |
| 596 | G | A | 0.0000 | |
| 597 | G | A | -1.1047 | |
| 598 | S | A | -1.4105 | |
| 599 | N | A | -1.9991 | |
| 600 | T | A | 0.0000 | |
| 601 | K | A | -2.4551 | |
| 602 | P | A | -1.9750 | |
| 603 | N | A | -2.3016 | |
| 604 | E | A | 0.0000 | |
| 605 | A | A | 0.0000 | |
| 606 | P | A | -0.9920 | |
| 607 | H | A | 0.0000 | |
| 608 | P | A | -0.2216 | |
| 609 | G | A | 0.0000 | |
| 610 | F | A | 0.0000 | |
| 611 | T | A | 0.0000 | |
| 612 | G | A | 0.0000 | |
| 613 | S | A | -0.5613 | |
| 614 | G | A | 0.0000 | |
| 615 | E | A | -1.0393 | |
| 616 | L | A | 0.0000 | |
| 617 | D | A | 0.0000 | |
| 618 | L | A | 0.0000 | |
| 619 | S | A | -0.8326 | |
| 620 | N | A | -1.6166 | |
| 621 | N | A | 0.0000 | |
| 622 | C | A | 0.2036 | |
| 623 | L | A | 0.4662 | |
| 624 | G | A | 0.6791 | |
| 625 | D | A | -0.4558 | |
| 626 | A | A | -0.0649 | |
| 627 | G | A | 0.0000 | |
| 628 | I | A | 0.0000 | |
| 629 | L | A | -1.0572 | |
| 630 | Q | A | -1.6627 | |
| 631 | L | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | E | A | -2.6380 | |
| 634 | S | A | 0.0000 | |
| 635 | V | A | 0.0000 | |
| 636 | R | A | -2.7482 | |
| 637 | G | A | -1.5558 | |
| 638 | S | A | -0.9513 | |
| 639 | G | A | -0.4701 | |
| 640 | G | A | -0.4200 | |
| 641 | S | A | 0.0000 | |
| 642 | N | A | 0.0000 | |
| 643 | T | A | 0.0000 | |
| 644 | K | A | -1.9388 | |
| 645 | P | A | -1.9779 | |
| 646 | N | A | -2.0952 | |
| 647 | E | A | -1.8632 | |
| 648 | A | A | -1.1247 | |
| 649 | P | A | -0.6253 | |
| 650 | H | A | 0.0000 | |
| 651 | P | A | 0.2036 | |
| 652 | G | A | 0.0000 | |
| 653 | F | A | 0.0000 | |
| 654 | T | A | 0.0000 | |
| 655 | G | A | -0.7324 | |
| 656 | S | A | -0.8584 | |
| 657 | G | A | 0.0000 | |
| 658 | Q | A | -0.8058 | |
| 659 | L | A | 0.0000 | |
| 660 | V | A | 0.4070 | |
| 661 | L | A | 0.0000 | |
| 662 | Y | A | 1.2082 | |
| 663 | D | A | 0.3284 | |
| 664 | I | A | 0.0000 | |
| 665 | Y | A | 1.8065 | |
| 666 | W | A | 0.8595 | |
| 667 | S | A | -1.4292 | |
| 668 | E | A | -3.8260 | |
| 669 | E | A | -4.3315 | |
| 670 | M | A | 0.0000 | |
| 671 | E | A | -4.5921 | |
| 672 | D | A | -5.0193 | |
| 673 | R | A | -4.3970 | |
| 674 | L | A | 0.0000 | |
| 675 | Q | A | -3.5974 | |
| 676 | A | A | -3.0018 | |
| 677 | L | A | -2.8585 | |
| 678 | E | A | -2.9232 | |
| 679 | K | A | -3.5195 | |
| 680 | D | A | -3.3184 | |
| 681 | G | A | -2.4051 | |
| 682 | S | A | -1.9114 | |
| 683 | G | A | -1.6346 | |
| 684 | G | A | -1.8295 | |
| 685 | S | A | -1.2341 | |
| 686 | N | A | -1.0794 | |
| 687 | T | A | -0.9157 | |
| 688 | K | A | -1.1979 | |
| 689 | P | A | -1.3428 | |
| 690 | N | A | -2.1017 | |
| 691 | E | A | -1.5128 | |
| 692 | A | A | -1.0331 | |
| 693 | P | A | -0.8260 | |
| 694 | H | A | -0.9034 | |
| 695 | P | A | -0.5743 | |
| 696 | G | A | -0.5011 | |
| 697 | F | A | -0.2954 | |
| 698 | T | A | -0.4485 | |
| 699 | G | A | 0.0000 | |
| 700 | S | A | -1.3961 | |
| 701 | G | A | 0.0000 | |
| 702 | R | A | -1.7385 | |
| 703 | V | A | 0.0000 | |
| 704 | I | A | -0.3083 | |
| 705 | S | A | -0.5516 |
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, -0.8185 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_3 | -0.8185 | View | CSV | PDB |
| model_1 | -0.8529 | View | CSV | PDB |
| model_2 | -0.8803 | View | CSV | PDB |
| model_0 | -0.8911 | View | CSV | PDB |
| model_11 | -0.905 | View | CSV | PDB |
| CABS_average | -0.9052 | View | CSV | PDB |
| model_6 | -0.9065 | View | CSV | PDB |
| model_9 | -0.9149 | View | CSV | PDB |
| model_4 | -0.9228 | View | CSV | PDB |
| model_7 | -0.9267 | View | CSV | PDB |
| model_10 | -0.9322 | View | CSV | PDB |
| model_5 | -0.935 | View | CSV | PDB |
| model_8 | -0.9768 | View | CSV | PDB |
| input | -1.0556 | 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