Project name: C42_B3_EF_DIRECT
Status: done
Started: 2026-07-21 11:00:10
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQEAEMGCATLDNTPSSAELLGVRLDDCGLTEARCKDISSALRVEAEMGCATLDNTPSSAELLGELNLRSNELGDVGVHCVLQGLQEAEMGCATLDNTPSSAELLGKLSLQNCCLTGAGCGVLSSTLRTEAEMGCATLDNTPSSAELLGELHLSDNLLGDAGLQLLCEGLLEAEMGCATLDNTPSSAELLGKLQLEYCSLSAASCEPLASVLRAEAEMGCATLDNTPSSAELLGELTVSNNDINEAGVRVLCQGLKDEAEMGCATLDNTPSSAELLGALKLESCGVTSDNCRDLCGIVASEAEMGCATLDNTPSSAELLGELALGSNKLGDVGMAELCPGLLEAEMGCATLDNTPSSAELLGTLWIWECGITAKGCGDLCRVLRAEAEMGCATLDNTPSSAELLGELSLAGNELGDEGARLLCETLLEAEMGCATLDNTPSSAELLGSLWVKSCSFTAACCSHFSSVLAQEAEMGCATLDNTPSSAELLGELQISNNRLEDAGVRELCQGLGEAEMGCATLDNTPSSAELLGVLWLADCDVSDSSCSSLAATLLAEAEMGCATLDNTPSSAELLGELDLSNNCLGDAGILQLVESVREAEMGCATLDNTPSSAELLGQLVLYDIYWSEEMEDRLQALEKDEAEMGCATLDNTPSSAELLGRVIS
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 (00:08:32)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:22:22)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:22:27)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:22:32)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:22:38)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:22:43)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:22:49)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:22:54)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:23:00)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:23:05)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:23:11)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:23:17)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:23:22)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:23:27)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:23:41)
[INFO] Main: Simulation completed successfully. (02:23:47)
|
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
- -4.2364
- Maximal score value
- 1.6701
- Average score
- -0.7051
- Total score value
- -485.7853
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 | 0.0982 | |
| 2 | L | A | 0.0000 | |
| 3 | D | A | -0.1068 | |
| 4 | I | A | 1.5066 | |
| 5 | Q | A | 0.0951 | |
| 6 | S | A | -0.5761 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.6178 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -3.6243 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.5269 | |
| 13 | E | A | -2.6567 | |
| 14 | L | A | -1.3986 | |
| 15 | S | A | -1.7280 | |
| 16 | D | A | -2.4223 | |
| 17 | A | A | -2.0911 | |
| 18 | R | A | -3.1012 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.9671 | |
| 21 | E | A | -2.6599 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -1.3346 | |
| 24 | P | A | -1.2931 | |
| 25 | L | A | -0.9984 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.4488 | |
| 28 | E | A | -1.2818 | |
| 29 | A | A | 0.0000 | |
| 30 | E | A | -0.8631 | |
| 31 | M | A | 0.1662 | |
| 32 | G | A | 0.0967 | |
| 33 | C | A | 0.1976 | |
| 34 | A | A | -0.2436 | |
| 35 | T | A | -0.1191 | |
| 36 | L | A | 0.0482 | |
| 37 | D | A | -0.6621 | |
| 38 | N | A | -1.5337 | |
| 39 | T | A | -1.0923 | |
| 40 | P | A | -0.7991 | |
| 41 | S | A | -0.6898 | |
| 42 | S | A | -0.9006 | |
| 43 | A | A | 0.0000 | |
| 44 | E | A | -0.8955 | |
| 45 | L | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | G | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -2.6716 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | -4.0745 | |
| 52 | D | A | -4.2364 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.2591 | |
| 57 | E | A | -1.2771 | |
| 58 | A | A | -1.2073 | |
| 59 | R | A | 0.0000 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -1.4585 | |
| 62 | D | A | -1.4410 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | -1.4201 | |
| 65 | S | A | -1.2889 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -2.6316 | |
| 69 | V | A | -1.3739 | |
| 70 | E | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | E | A | -2.2107 | |
| 73 | M | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | C | A | -1.2095 | |
| 76 | A | A | -1.2569 | |
| 77 | T | A | 0.0000 | |
| 78 | L | A | -1.4319 | |
| 79 | D | A | -2.3209 | |
| 80 | N | A | -2.1203 | |
| 81 | T | A | -1.3020 | |
| 82 | P | A | 0.0000 | |
| 83 | S | A | -0.5099 | |
| 84 | S | A | -0.5155 | |
| 85 | A | A | 0.0000 | |
| 86 | E | A | -0.9563 | |
| 87 | L | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | G | A | -0.8918 | |
| 90 | E | A | -1.1349 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | -1.7031 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -3.4735 | |
| 95 | S | A | 0.0000 | |
| 96 | N | A | -3.0055 | |
| 97 | E | A | -2.8680 | |
| 98 | L | A | -1.6209 | |
| 99 | G | A | -0.8685 | |
| 100 | D | A | -0.7389 | |
| 101 | V | A | 0.6222 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.4341 | |
| 105 | C | A | -0.5912 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -1.3609 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -1.5338 | |
| 112 | E | A | -2.2596 | |
| 113 | A | A | 0.0000 | |
| 114 | E | A | 0.0000 | |
| 115 | M | A | 0.1049 | |
| 116 | G | A | -0.9235 | |
| 117 | C | A | 0.0000 | |
| 118 | A | A | -0.0773 | |
| 119 | T | A | -0.5485 | |
| 120 | L | A | 0.0000 | |
| 121 | D | A | 0.0000 | |
| 122 | N | A | 0.0000 | |
| 123 | T | A | -0.4185 | |
| 124 | P | A | -0.5228 | |
| 125 | S | A | -0.4680 | |
| 126 | S | A | -0.5539 | |
| 127 | A | A | 0.0000 | |
| 128 | E | A | -0.8930 | |
| 129 | L | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | G | A | -0.8328 | |
| 132 | K | A | -1.0484 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | 0.0000 | |
| 137 | N | A | -1.3365 | |
| 138 | C | A | -0.4764 | |
| 139 | C | A | 0.5149 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | 0.1774 | |
| 142 | G | A | 0.0000 | |
| 143 | A | A | -0.2770 | |
| 144 | G | A | -0.5319 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.4853 | |
| 147 | V | A | -0.4732 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | -0.7875 | |
| 150 | S | A | -0.8448 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | -2.5158 | |
| 154 | T | A | -1.4675 | |
| 155 | E | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | E | A | -2.1522 | |
| 158 | M | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | C | A | -0.9555 | |
| 161 | A | A | -1.1028 | |
| 162 | T | A | 0.0000 | |
| 163 | L | A | -1.4105 | |
| 164 | D | A | -2.3371 | |
| 165 | N | A | -1.4581 | |
| 166 | T | A | 0.0000 | |
| 167 | P | A | -0.9513 | |
| 168 | S | A | -0.4328 | |
| 169 | S | A | -0.5505 | |
| 170 | A | A | 0.0000 | |
| 171 | E | A | -0.6689 | |
| 172 | L | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | -0.7820 | |
| 175 | E | A | -1.0174 | |
| 176 | L | A | -0.5846 | |
| 177 | H | A | -0.8139 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | -0.9051 | |
| 180 | D | A | -0.8806 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 1.0837 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | -0.1725 | |
| 185 | D | A | -0.6456 | |
| 186 | A | A | -0.4329 | |
| 187 | G | A | -0.6003 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -1.4872 | |
| 190 | L | A | -0.3392 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -2.0357 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | -0.5853 | |
| 196 | L | A | -0.5316 | |
| 197 | E | A | -1.6350 | |
| 198 | A | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | M | A | 0.3665 | |
| 201 | G | A | -0.4430 | |
| 202 | C | A | 0.0000 | |
| 203 | A | A | -0.5465 | |
| 204 | T | A | -0.8209 | |
| 205 | L | A | 0.0000 | |
| 206 | D | A | -2.7105 | |
| 207 | N | A | -2.5468 | |
| 208 | T | A | 0.0000 | |
| 209 | P | A | -1.1811 | |
| 210 | S | A | -0.8463 | |
| 211 | S | A | -0.7131 | |
| 212 | A | A | -0.7045 | |
| 213 | E | A | -0.8891 | |
| 214 | L | A | -0.3465 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | -1.0976 | |
| 217 | K | A | -1.5178 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | -1.1951 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -1.3207 | |
| 222 | Y | A | -0.6440 | |
| 223 | C | A | -0.2989 | |
| 224 | S | A | -0.6388 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.1607 | |
| 227 | A | A | -1.3002 | |
| 228 | A | A | -0.8834 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -2.1364 | |
| 232 | P | A | -1.4449 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | S | A | -0.9453 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -1.1376 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | E | A | -1.6898 | |
| 243 | M | A | 0.0000 | |
| 244 | G | A | 0.0000 | |
| 245 | C | A | -1.0167 | |
| 246 | A | A | -1.7156 | |
| 247 | T | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | D | A | -2.3476 | |
| 250 | N | A | -2.0372 | |
| 251 | T | A | -1.1132 | |
| 252 | P | A | 0.0000 | |
| 253 | S | A | -0.5662 | |
| 254 | S | A | -0.8487 | |
| 255 | A | A | 0.0000 | |
| 256 | E | A | -1.5753 | |
| 257 | L | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | G | A | -1.0551 | |
| 260 | E | A | -1.2048 | |
| 261 | L | A | 0.0000 | |
| 262 | T | A | -0.8326 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | -1.1367 | |
| 265 | N | A | 0.0000 | |
| 266 | N | A | -1.9778 | |
| 267 | D | A | -2.0993 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -2.5015 | |
| 270 | E | A | -3.0524 | |
| 271 | A | A | -2.0289 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -3.0707 | |
| 275 | V | A | -1.5467 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -1.5150 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -1.6827 | |
| 282 | D | A | -1.5939 | |
| 283 | E | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | E | A | -1.9925 | |
| 286 | M | A | -1.0465 | |
| 287 | G | A | 0.0000 | |
| 288 | C | A | -0.9789 | |
| 289 | A | A | -0.7052 | |
| 290 | T | A | 0.0000 | |
| 291 | L | A | -1.3872 | |
| 292 | D | A | -2.3785 | |
| 293 | N | A | -1.7868 | |
| 294 | T | A | -1.3521 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | -0.5278 | |
| 297 | S | A | -0.7196 | |
| 298 | A | A | -0.7652 | |
| 299 | E | A | -1.0628 | |
| 300 | L | A | 0.0000 | |
| 301 | L | A | -0.5082 | |
| 302 | G | A | -0.6957 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | -0.3385 | |
| 305 | K | A | -0.5563 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -1.3306 | |
| 308 | S | A | -1.6427 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -2.4381 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -1.8981 | |
| 313 | S | A | -1.5840 | |
| 314 | D | A | -2.8730 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -2.7629 | |
| 318 | D | A | -2.2175 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | 0.0000 | |
| 321 | G | A | -1.1460 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | A | A | -1.1119 | |
| 325 | S | A | -1.4896 | |
| 326 | E | A | -1.2361 | |
| 327 | A | A | 0.0000 | |
| 328 | E | A | -2.1458 | |
| 329 | M | A | -1.4705 | |
| 330 | G | A | 0.0000 | |
| 331 | C | A | -1.0875 | |
| 332 | A | A | -1.5124 | |
| 333 | T | A | -1.4882 | |
| 334 | L | A | 0.0000 | |
| 335 | D | A | -2.4366 | |
| 336 | N | A | -1.9589 | |
| 337 | T | A | -1.2002 | |
| 338 | P | A | 0.0000 | |
| 339 | S | A | -0.4494 | |
| 340 | S | A | -0.5916 | |
| 341 | A | A | -0.5851 | |
| 342 | E | A | -0.8213 | |
| 343 | L | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | E | A | -0.8137 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | 0.0000 | |
| 352 | N | A | -2.8655 | |
| 353 | K | A | -2.9265 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.8804 | |
| 356 | D | A | -0.4219 | |
| 357 | V | A | 0.6402 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.3780 | |
| 361 | E | A | -0.9623 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.8905 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | L | A | -0.3894 | |
| 368 | E | A | -1.5070 | |
| 369 | A | A | 0.0000 | |
| 370 | E | A | 0.0000 | |
| 371 | M | A | 0.2514 | |
| 372 | G | A | -0.5662 | |
| 373 | C | A | 0.0000 | |
| 374 | A | A | -0.2097 | |
| 375 | T | A | -0.7677 | |
| 376 | L | A | 0.0000 | |
| 377 | D | A | -1.7504 | |
| 378 | N | A | 0.0000 | |
| 379 | T | A | -1.0552 | |
| 380 | P | A | -0.7392 | |
| 381 | S | A | -0.6841 | |
| 382 | S | A | -0.7745 | |
| 383 | A | A | 0.0000 | |
| 384 | E | A | -0.8107 | |
| 385 | L | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | G | A | -0.8070 | |
| 388 | T | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | W | A | 0.1102 | |
| 391 | I | A | 0.0000 | |
| 392 | W | A | -0.9995 | |
| 393 | E | A | -2.4867 | |
| 394 | C | A | 0.0000 | |
| 395 | G | A | -1.6702 | |
| 396 | I | A | 0.0000 | |
| 397 | T | A | -1.2697 | |
| 398 | A | A | -1.4020 | |
| 399 | K | A | -1.8904 | |
| 400 | G | A | 0.0000 | |
| 401 | C | A | 0.0000 | |
| 402 | G | A | -1.7269 | |
| 403 | D | A | -1.6840 | |
| 404 | L | A | 0.0000 | |
| 405 | C | A | 0.0000 | |
| 406 | R | A | -2.7554 | |
| 407 | V | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | R | A | -2.7875 | |
| 410 | A | A | -1.3746 | |
| 411 | E | A | 0.0000 | |
| 412 | A | A | 0.0000 | |
| 413 | E | A | -1.4833 | |
| 414 | M | A | -0.7112 | |
| 415 | G | A | -1.1624 | |
| 416 | C | A | -1.0188 | |
| 417 | A | A | -1.3791 | |
| 418 | T | A | 0.0000 | |
| 419 | L | A | -1.6365 | |
| 420 | D | A | -2.4537 | |
| 421 | N | A | -2.4203 | |
| 422 | T | A | -1.5254 | |
| 423 | P | A | 0.0000 | |
| 424 | S | A | -0.6778 | |
| 425 | S | A | 0.0000 | |
| 426 | A | A | -0.7400 | |
| 427 | E | A | -0.9308 | |
| 428 | L | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | -1.0972 | |
| 431 | E | A | -1.3134 | |
| 432 | L | A | 0.0000 | |
| 433 | S | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | G | A | -1.2989 | |
| 437 | N | A | -1.3854 | |
| 438 | E | A | -1.3598 | |
| 439 | L | A | 0.0950 | |
| 440 | G | A | 0.0000 | |
| 441 | D | A | -0.9215 | |
| 442 | E | A | -1.4168 | |
| 443 | G | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | R | A | -1.5394 | |
| 446 | L | A | -1.4031 | |
| 447 | L | A | 0.0000 | |
| 448 | C | A | 0.0000 | |
| 449 | E | A | -1.8551 | |
| 450 | T | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | L | A | -0.7630 | |
| 453 | E | A | -1.7246 | |
| 454 | A | A | 0.0000 | |
| 455 | E | A | 0.0000 | |
| 456 | M | A | 0.3641 | |
| 457 | G | A | -0.3859 | |
| 458 | C | A | 0.0000 | |
| 459 | A | A | -0.0246 | |
| 460 | T | A | -0.7889 | |
| 461 | L | A | 0.0000 | |
| 462 | D | A | -1.5529 | |
| 463 | N | A | 0.0000 | |
| 464 | T | A | -0.4926 | |
| 465 | P | A | -0.4886 | |
| 466 | S | A | -0.5439 | |
| 467 | S | A | -0.5623 | |
| 468 | A | A | 0.0000 | |
| 469 | E | A | -0.8235 | |
| 470 | L | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | G | A | -0.9870 | |
| 473 | S | A | -0.8847 | |
| 474 | L | A | 0.0000 | |
| 475 | W | A | -0.3770 | |
| 476 | V | A | 0.0000 | |
| 477 | K | A | -1.1896 | |
| 478 | S | A | -1.7206 | |
| 479 | C | A | 0.0000 | |
| 480 | S | A | -1.2264 | |
| 481 | F | A | 0.0000 | |
| 482 | T | A | -1.0830 | |
| 483 | A | A | -1.0473 | |
| 484 | A | A | -0.6835 | |
| 485 | C | A | -0.6538 | |
| 486 | C | A | 0.0000 | |
| 487 | S | A | -0.9012 | |
| 488 | H | A | -0.8212 | |
| 489 | F | A | 0.0000 | |
| 490 | S | A | -1.1802 | |
| 491 | S | A | -0.8673 | |
| 492 | V | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | A | A | -1.1342 | |
| 495 | Q | A | -0.8965 | |
| 496 | E | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | E | A | -1.5639 | |
| 499 | M | A | -0.5225 | |
| 500 | G | A | -0.9302 | |
| 501 | C | A | -0.9938 | |
| 502 | A | A | -0.9506 | |
| 503 | T | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | D | A | -2.2417 | |
| 506 | N | A | -1.6200 | |
| 507 | T | A | -1.0345 | |
| 508 | P | A | 0.0000 | |
| 509 | S | A | 0.0000 | |
| 510 | S | A | -0.5305 | |
| 511 | A | A | 0.0000 | |
| 512 | E | A | -0.6815 | |
| 513 | L | A | 0.0000 | |
| 514 | L | A | 0.0000 | |
| 515 | G | A | 0.0000 | |
| 516 | E | A | -1.0330 | |
| 517 | L | A | 0.0000 | |
| 518 | Q | A | -0.5565 | |
| 519 | I | A | 0.0000 | |
| 520 | S | A | 0.0000 | |
| 521 | N | A | -2.1049 | |
| 522 | N | A | 0.0000 | |
| 523 | R | A | -2.6481 | |
| 524 | L | A | 0.0000 | |
| 525 | E | A | -1.9416 | |
| 526 | D | A | -2.1465 | |
| 527 | A | A | -1.2419 | |
| 528 | G | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | R | A | -2.6742 | |
| 531 | E | A | -2.2323 | |
| 532 | L | A | 0.0000 | |
| 533 | C | A | 0.0000 | |
| 534 | Q | A | -2.4766 | |
| 535 | G | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | G | A | -1.1022 | |
| 538 | E | A | -1.9345 | |
| 539 | A | A | 0.0000 | |
| 540 | E | A | 0.0000 | |
| 541 | M | A | 0.1993 | |
| 542 | G | A | -0.5488 | |
| 543 | C | A | 0.0000 | |
| 544 | A | A | -0.1032 | |
| 545 | T | A | -0.7040 | |
| 546 | L | A | -0.8375 | |
| 547 | D | A | -1.7841 | |
| 548 | N | A | 0.0000 | |
| 549 | T | A | -0.9660 | |
| 550 | P | A | -0.8082 | |
| 551 | S | A | -0.5343 | |
| 552 | S | A | -0.7320 | |
| 553 | A | A | 0.0000 | |
| 554 | E | A | -1.1225 | |
| 555 | L | A | 0.0000 | |
| 556 | L | A | 0.0000 | |
| 557 | G | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | L | A | 0.0000 | |
| 560 | W | A | -0.0825 | |
| 561 | L | A | 0.0000 | |
| 562 | A | A | 0.0000 | |
| 563 | D | A | -1.6601 | |
| 564 | C | A | 0.0000 | |
| 565 | D | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | S | A | -1.3467 | |
| 568 | D | A | -1.9986 | |
| 569 | S | A | -1.3951 | |
| 570 | S | A | 0.0000 | |
| 571 | C | A | 0.0000 | |
| 572 | S | A | -0.8392 | |
| 573 | S | A | -1.2622 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | 0.0000 | |
| 576 | A | A | 0.0213 | |
| 577 | T | A | 0.0000 | |
| 578 | L | A | 0.0000 | |
| 579 | L | A | -0.2589 | |
| 580 | A | A | -0.1624 | |
| 581 | E | A | 0.0000 | |
| 582 | A | A | 0.0000 | |
| 583 | E | A | -1.4766 | |
| 584 | M | A | 0.0000 | |
| 585 | G | A | 0.0000 | |
| 586 | C | A | 0.0000 | |
| 587 | A | A | -1.2512 | |
| 588 | T | A | 0.0000 | |
| 589 | L | A | 0.0000 | |
| 590 | D | A | -2.6878 | |
| 591 | N | A | -2.4478 | |
| 592 | T | A | -1.6388 | |
| 593 | P | A | -1.2352 | |
| 594 | S | A | 0.0000 | |
| 595 | S | A | -0.6938 | |
| 596 | A | A | 0.0000 | |
| 597 | E | A | -1.1207 | |
| 598 | L | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | G | A | -0.8046 | |
| 601 | E | A | -0.6254 | |
| 602 | L | A | 0.0000 | |
| 603 | D | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | S | A | 0.0000 | |
| 606 | N | A | -1.0301 | |
| 607 | N | A | -1.3955 | |
| 608 | C | A | 0.0692 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | 0.0000 | |
| 611 | D | A | -0.6729 | |
| 612 | A | A | -0.5708 | |
| 613 | G | A | 0.0000 | |
| 614 | I | A | 0.0000 | |
| 615 | L | A | -0.2545 | |
| 616 | Q | A | -0.6714 | |
| 617 | L | A | 0.0000 | |
| 618 | V | A | 0.0000 | |
| 619 | E | A | -1.5864 | |
| 620 | S | A | 0.0000 | |
| 621 | V | A | 0.0000 | |
| 622 | R | A | -2.2533 | |
| 623 | E | A | -2.4311 | |
| 624 | A | A | 0.0000 | |
| 625 | E | A | 0.0000 | |
| 626 | M | A | -0.7169 | |
| 627 | G | A | -0.7546 | |
| 628 | C | A | 0.0000 | |
| 629 | A | A | -0.6811 | |
| 630 | T | A | -0.0966 | |
| 631 | L | A | -0.2448 | |
| 632 | D | A | -1.6348 | |
| 633 | N | A | -1.2625 | |
| 634 | T | A | -1.2636 | |
| 635 | P | A | -0.8270 | |
| 636 | S | A | -0.5499 | |
| 637 | S | A | -0.6536 | |
| 638 | A | A | -0.6891 | |
| 639 | E | A | -0.9470 | |
| 640 | L | A | 0.0000 | |
| 641 | L | A | 0.0000 | |
| 642 | G | A | 0.0000 | |
| 643 | Q | A | -0.7506 | |
| 644 | L | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | L | A | 0.0000 | |
| 647 | Y | A | 0.0000 | |
| 648 | D | A | 0.0000 | |
| 649 | I | A | 1.6701 | |
| 650 | Y | A | 1.6340 | |
| 651 | W | A | 0.0169 | |
| 652 | S | A | -1.5754 | |
| 653 | E | A | -3.2264 | |
| 654 | E | A | -3.6034 | |
| 655 | M | A | 0.0000 | |
| 656 | E | A | -3.3213 | |
| 657 | D | A | -3.3099 | |
| 658 | R | A | -3.0386 | |
| 659 | L | A | 0.0000 | |
| 660 | Q | A | -3.1088 | |
| 661 | A | A | -2.6275 | |
| 662 | L | A | 0.0000 | |
| 663 | E | A | -2.8692 | |
| 664 | K | A | -3.5109 | |
| 665 | D | A | -3.4540 | |
| 666 | E | A | 0.0000 | |
| 667 | A | A | -2.1698 | |
| 668 | E | A | -2.8296 | |
| 669 | M | A | -1.6994 | |
| 670 | G | A | -1.0912 | |
| 671 | C | A | -0.5102 | |
| 672 | A | A | 0.0000 | |
| 673 | T | A | -0.6497 | |
| 674 | L | A | 0.0000 | |
| 675 | D | A | -1.3247 | |
| 676 | N | A | -1.8193 | |
| 677 | T | A | -0.9082 | |
| 678 | P | A | -0.6343 | |
| 679 | S | A | -0.5888 | |
| 680 | S | A | -0.7065 | |
| 681 | A | A | -0.3489 | |
| 682 | E | A | -0.8674 | |
| 683 | L | A | 1.0401 | |
| 684 | L | A | 1.1214 | |
| 685 | G | A | -0.2657 | |
| 686 | R | A | -1.7951 | |
| 687 | V | A | -0.5476 | |
| 688 | I | A | 0.0000 | |
| 689 | S | A | -1.4860 |
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, -0.7051 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_5 | -0.7051 | View | CSV | PDB |
| model_1 | -0.7058 | View | CSV | PDB |
| model_4 | -0.7103 | View | CSV | PDB |
| model_0 | -0.7249 | View | CSV | PDB |
| model_8 | -0.7302 | View | CSV | PDB |
| model_7 | -0.7354 | View | CSV | PDB |
| input | -0.7385 | View | CSV | PDB |
| CABS_average | -0.7389 | View | CSV | PDB |
| model_2 | -0.7492 | View | CSV | PDB |
| model_9 | -0.7536 | View | CSV | PDB |
| model_6 | -0.7546 | View | CSV | PDB |
| model_3 | -0.7567 | View | CSV | PDB |
| model_10 | -0.7593 | View | CSV | PDB |
| model_11 | -0.7817 | 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