Project name: C24_B3_EF_D68_EF_GSG
Status: done
Started: 2026-07-21 11:06:27
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGEAEMGCATLDNTPSSAELLGGSGVRLDDCGLTEARCKDISSALRVGSGEAEMGCATLDNTPSSAELLGGSGELNLRSNELGDVGVHCVLQGLQGSGEAEMGCATLDNTPSSAELLGGSGKLSLQNCCLTGAGCGVLSSTLRTGSGEAEMGCATLDNTPSSAELLGGSGELHLSDNLLGDAGLQLLCEGLLGSGEAEMGCATLDNTPSSAELLGGSGKLQLEYCSLSAASCEPLASVLRAGSGEAEMGCATLDNTPSSAELLGGSGELTVSNNDINEAGVRVLCQGLKDGSGEAEMGCATLDNTPSSAELLGGSGALKLESCGVTSDNCRDLCGIVASGSGEAEMGCATLDNTPSSAELLGGSGELALGSNKLGDVGMAELCPGLLGSGLFTYLRFDAEITILTGSGTLWIWECGITAKGCGDLCRVLRAGSGLFTYLRFDAEITILTGSGELSLAGNELGDEGARLLCETLLGSGLFTYLRFDAEITILTGSGSLWVKSCSFTAACCSHFSSVLAQGSGLFTYLRFDAEITILTGSGELQISNNRLEDAGVRELCQGLGGSGLFTYLRFDAEITILTGSGVLWLADCDVSDSSCSSLAATLLAGSGLFTYLRFDAEITILTGSGELDLSNNCLGDAGILQLVESVRGSGLFTYLRFDAEITILTGSGQLVLYDIYWSEEMEDRLQALEKDGSGLFTYLRFDAEITILTGSGRVIS
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 (00:10:06)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:31:25)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:31:31)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:31:36)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:31:41)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:31:46)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:31:51)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:31:56)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:32:01)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:32:07)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:32:12)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:32:18)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:32:23)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:32:28)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:32:41)
[INFO] Main: Simulation completed successfully. (02:32:46)
|
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
- -4.2701
- Maximal score value
- 2.802
- Average score
- -0.6619
- Total score value
- -493.1437
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 | 0.5467 | |
| 2 | L | A | 1.8097 | |
| 3 | D | A | 0.0000 | |
| 4 | I | A | 2.3165 | |
| 5 | Q | A | 0.0000 | |
| 6 | S | A | -0.2569 | |
| 7 | L | A | -0.8503 | |
| 8 | D | A | -2.2475 | |
| 9 | I | A | -1.5790 | |
| 10 | Q | A | -2.0921 | |
| 11 | C | A | -0.9047 | |
| 12 | E | A | 0.0000 | |
| 13 | E | A | -2.4052 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.0295 | |
| 16 | D | A | -2.7040 | |
| 17 | A | A | -1.7874 | |
| 18 | R | A | -2.5750 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.7706 | |
| 21 | E | A | -2.2979 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -0.9693 | |
| 25 | L | A | -0.2769 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.6468 | |
| 28 | G | A | -1.2184 | |
| 29 | S | A | -0.2330 | |
| 30 | G | A | -0.7142 | |
| 31 | E | A | -2.3851 | |
| 32 | A | A | 0.0000 | |
| 33 | E | A | -1.3835 | |
| 34 | M | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | C | A | -0.2702 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | -0.3666 | |
| 39 | L | A | -1.4502 | |
| 40 | D | A | -2.8076 | |
| 41 | N | A | -2.7072 | |
| 42 | T | A | -1.6426 | |
| 43 | P | A | -1.2888 | |
| 44 | S | A | -0.8492 | |
| 45 | S | A | -1.0453 | |
| 46 | A | A | 0.0000 | |
| 47 | E | A | -1.9763 | |
| 48 | L | A | 0.0000 | |
| 49 | L | A | 0.7573 | |
| 50 | G | A | 0.0000 | |
| 51 | G | A | 1.0116 | |
| 52 | S | A | 0.0000 | |
| 53 | G | A | -0.4385 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -2.2710 | |
| 56 | L | A | 0.0000 | |
| 57 | D | A | -2.7220 | |
| 58 | D | A | -2.4580 | |
| 59 | C | A | 0.0000 | |
| 60 | G | A | -1.6606 | |
| 61 | L | A | 0.0000 | |
| 62 | T | A | -1.7373 | |
| 63 | E | A | -2.3823 | |
| 64 | A | A | -1.8691 | |
| 65 | R | A | -1.9785 | |
| 66 | C | A | 0.0000 | |
| 67 | K | A | -2.5692 | |
| 68 | D | A | -2.3597 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | 0.0000 | |
| 71 | S | A | -1.6987 | |
| 72 | A | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | R | A | -2.8757 | |
| 75 | V | A | -1.9686 | |
| 76 | G | A | -1.6579 | |
| 77 | S | A | -1.8740 | |
| 78 | G | A | -1.8840 | |
| 79 | E | A | -2.5088 | |
| 80 | A | A | 0.0000 | |
| 81 | E | A | -1.0049 | |
| 82 | M | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | T | A | -0.5700 | |
| 87 | L | A | 0.0000 | |
| 88 | D | A | -2.5027 | |
| 89 | N | A | -2.7427 | |
| 90 | T | A | 0.0000 | |
| 91 | P | A | -1.4731 | |
| 92 | S | A | -0.6774 | |
| 93 | S | A | -1.0541 | |
| 94 | A | A | 0.0000 | |
| 95 | E | A | -1.4856 | |
| 96 | L | A | 0.0000 | |
| 97 | L | A | -0.0081 | |
| 98 | G | A | 0.0000 | |
| 99 | G | A | 0.2685 | |
| 100 | S | A | -0.0348 | |
| 101 | G | A | 0.0000 | |
| 102 | E | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | N | A | -1.3609 | |
| 105 | L | A | 0.0000 | |
| 106 | R | A | -2.8126 | |
| 107 | S | A | -2.1030 | |
| 108 | N | A | 0.0000 | |
| 109 | E | A | -2.6001 | |
| 110 | L | A | -1.2131 | |
| 111 | G | A | -0.6405 | |
| 112 | D | A | -0.1242 | |
| 113 | V | A | 0.5713 | |
| 114 | G | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | H | A | -0.7227 | |
| 117 | C | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | Q | A | -1.7564 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | Q | A | -1.8649 | |
| 124 | G | A | -1.6456 | |
| 125 | S | A | -2.0782 | |
| 126 | G | A | -1.7795 | |
| 127 | E | A | -1.5917 | |
| 128 | A | A | 0.0000 | |
| 129 | E | A | 0.0000 | |
| 130 | M | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | C | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | T | A | -0.6051 | |
| 135 | L | A | 0.0000 | |
| 136 | D | A | -2.5655 | |
| 137 | N | A | -2.7628 | |
| 138 | T | A | 0.0000 | |
| 139 | P | A | 0.0000 | |
| 140 | S | A | -0.6342 | |
| 141 | S | A | -0.8379 | |
| 142 | A | A | 0.0000 | |
| 143 | E | A | -1.6191 | |
| 144 | L | A | 0.0000 | |
| 145 | L | A | 0.1412 | |
| 146 | G | A | 0.0000 | |
| 147 | G | A | 0.0094 | |
| 148 | S | A | -0.2110 | |
| 149 | G | A | 0.0000 | |
| 150 | K | A | -0.2934 | |
| 151 | L | A | -0.3111 | |
| 152 | S | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.5809 | |
| 155 | N | A | -1.4547 | |
| 156 | C | A | 0.0000 | |
| 157 | C | A | -0.3338 | |
| 158 | L | A | 0.0000 | |
| 159 | T | A | 0.3034 | |
| 160 | G | A | -0.0859 | |
| 161 | A | A | 0.0232 | |
| 162 | G | A | 0.0000 | |
| 163 | C | A | 0.0000 | |
| 164 | G | A | -0.3368 | |
| 165 | V | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | S | A | -0.8360 | |
| 168 | S | A | -1.2087 | |
| 169 | T | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | R | A | -2.4242 | |
| 172 | T | A | -1.5258 | |
| 173 | G | A | -1.3606 | |
| 174 | S | A | -1.0846 | |
| 175 | G | A | -1.3414 | |
| 176 | E | A | -1.2214 | |
| 177 | A | A | 0.0000 | |
| 178 | E | A | -0.5478 | |
| 179 | M | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | C | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | T | A | -0.6914 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | -2.8790 | |
| 186 | N | A | -2.1727 | |
| 187 | T | A | -1.3365 | |
| 188 | P | A | -0.6587 | |
| 189 | S | A | 0.0000 | |
| 190 | S | A | -0.8953 | |
| 191 | A | A | 0.0000 | |
| 192 | E | A | -1.3959 | |
| 193 | L | A | 0.0000 | |
| 194 | L | A | 0.0798 | |
| 195 | G | A | 0.0000 | |
| 196 | G | A | -0.0409 | |
| 197 | S | A | 0.0000 | |
| 198 | G | A | 0.0000 | |
| 199 | E | A | -0.4308 | |
| 200 | L | A | -0.1428 | |
| 201 | H | A | -0.5874 | |
| 202 | L | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | D | A | -0.2923 | |
| 205 | N | A | 0.2630 | |
| 206 | L | A | 1.1821 | |
| 207 | L | A | 0.0000 | |
| 208 | G | A | -0.4487 | |
| 209 | D | A | -1.3525 | |
| 210 | A | A | -0.7391 | |
| 211 | G | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | Q | A | -1.1921 | |
| 214 | L | A | -0.4202 | |
| 215 | L | A | 0.0000 | |
| 216 | C | A | 0.0000 | |
| 217 | E | A | -1.6300 | |
| 218 | G | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | L | A | -0.5312 | |
| 221 | G | A | -1.0387 | |
| 222 | S | A | -1.3752 | |
| 223 | G | A | -1.0149 | |
| 224 | E | A | -1.1136 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | 0.0000 | |
| 227 | M | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | C | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | T | A | -0.9518 | |
| 232 | L | A | 0.0000 | |
| 233 | D | A | -2.9444 | |
| 234 | N | A | 0.0000 | |
| 235 | T | A | -1.1004 | |
| 236 | P | A | -0.7627 | |
| 237 | S | A | -1.0740 | |
| 238 | S | A | -0.8479 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | -1.4833 | |
| 241 | L | A | 0.0000 | |
| 242 | L | A | 0.1599 | |
| 243 | G | A | 0.0000 | |
| 244 | G | A | 0.0000 | |
| 245 | S | A | -0.3398 | |
| 246 | G | A | 0.0000 | |
| 247 | K | A | -0.5894 | |
| 248 | L | A | -0.1860 | |
| 249 | Q | A | -0.5149 | |
| 250 | L | A | 0.1119 | |
| 251 | E | A | -0.3231 | |
| 252 | Y | A | 0.3645 | |
| 253 | C | A | 0.0000 | |
| 254 | S | A | -1.2456 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | -1.5972 | |
| 257 | A | A | -1.3527 | |
| 258 | A | A | -0.8156 | |
| 259 | S | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.4963 | |
| 262 | P | A | -0.9762 | |
| 263 | L | A | -0.5271 | |
| 264 | A | A | 0.0000 | |
| 265 | S | A | -1.1333 | |
| 266 | V | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | R | A | -2.4049 | |
| 269 | A | A | -1.1792 | |
| 270 | G | A | -1.6255 | |
| 271 | S | A | -1.1791 | |
| 272 | G | A | -1.0857 | |
| 273 | E | A | -1.3999 | |
| 274 | A | A | 0.0000 | |
| 275 | E | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | G | A | 0.0000 | |
| 278 | C | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | T | A | -1.0896 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | -3.0362 | |
| 283 | N | A | -2.0511 | |
| 284 | T | A | -1.2043 | |
| 285 | P | A | -0.6995 | |
| 286 | S | A | 0.0000 | |
| 287 | S | A | -0.7022 | |
| 288 | A | A | 0.0000 | |
| 289 | E | A | -1.1513 | |
| 290 | L | A | 0.0000 | |
| 291 | L | A | 0.1827 | |
| 292 | G | A | 0.0858 | |
| 293 | G | A | -0.0809 | |
| 294 | S | A | -0.4326 | |
| 295 | G | A | 0.0000 | |
| 296 | E | A | -0.7182 | |
| 297 | L | A | -0.2544 | |
| 298 | T | A | 0.0000 | |
| 299 | V | A | -0.4977 | |
| 300 | S | A | 0.0000 | |
| 301 | N | A | -1.4055 | |
| 302 | N | A | -2.1824 | |
| 303 | D | A | -2.8766 | |
| 304 | I | A | 0.0000 | |
| 305 | N | A | -2.8026 | |
| 306 | E | A | -2.6247 | |
| 307 | A | A | -1.6522 | |
| 308 | G | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | R | A | -2.6622 | |
| 311 | V | A | -1.3861 | |
| 312 | L | A | -1.0982 | |
| 313 | C | A | 0.0000 | |
| 314 | Q | A | -2.2325 | |
| 315 | G | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | K | A | -1.9686 | |
| 318 | D | A | -2.1782 | |
| 319 | G | A | -1.5019 | |
| 320 | S | A | -1.2411 | |
| 321 | G | A | -1.7441 | |
| 322 | E | A | -2.0072 | |
| 323 | A | A | 0.0000 | |
| 324 | E | A | 0.0000 | |
| 325 | M | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | -0.5881 | |
| 330 | L | A | 0.0000 | |
| 331 | D | A | -2.2045 | |
| 332 | N | A | -1.7152 | |
| 333 | T | A | -1.1521 | |
| 334 | P | A | 0.0000 | |
| 335 | S | A | -0.7151 | |
| 336 | S | A | -0.9282 | |
| 337 | A | A | 0.0000 | |
| 338 | E | A | -0.4972 | |
| 339 | L | A | 0.0000 | |
| 340 | L | A | 0.3982 | |
| 341 | G | A | 0.1153 | |
| 342 | G | A | -0.3653 | |
| 343 | S | A | -0.6398 | |
| 344 | G | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | K | A | -0.9013 | |
| 348 | L | A | 0.0000 | |
| 349 | E | A | -1.1788 | |
| 350 | S | A | -1.6813 | |
| 351 | C | A | 0.0000 | |
| 352 | G | A | -2.0966 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | S | A | -1.3979 | |
| 356 | D | A | -1.8769 | |
| 357 | N | A | 0.0000 | |
| 358 | C | A | 0.0000 | |
| 359 | R | A | -2.4740 | |
| 360 | D | A | -1.9580 | |
| 361 | L | A | 0.0000 | |
| 362 | C | A | -0.7768 | |
| 363 | G | A | -0.8577 | |
| 364 | I | A | 0.0000 | |
| 365 | V | A | -0.1326 | |
| 366 | A | A | -0.2095 | |
| 367 | S | A | -0.4956 | |
| 368 | G | A | -0.5712 | |
| 369 | S | A | -0.5806 | |
| 370 | G | A | -0.9075 | |
| 371 | E | A | -1.5544 | |
| 372 | A | A | 0.0000 | |
| 373 | E | A | 0.0000 | |
| 374 | M | A | 0.0000 | |
| 375 | G | A | -0.5471 | |
| 376 | C | A | -0.0705 | |
| 377 | A | A | 0.4779 | |
| 378 | T | A | 0.1926 | |
| 379 | L | A | 0.5196 | |
| 380 | D | A | 0.0000 | |
| 381 | N | A | -1.3853 | |
| 382 | T | A | -0.9926 | |
| 383 | P | A | -0.7389 | |
| 384 | S | A | -0.7707 | |
| 385 | S | A | -0.7323 | |
| 386 | A | A | -0.5326 | |
| 387 | E | A | -0.1651 | |
| 388 | L | A | 1.3732 | |
| 389 | L | A | 0.8664 | |
| 390 | G | A | 0.1539 | |
| 391 | G | A | -0.5328 | |
| 392 | S | A | -0.6970 | |
| 393 | G | A | -0.5759 | |
| 394 | E | A | -0.7084 | |
| 395 | L | A | -0.1185 | |
| 396 | A | A | -0.0493 | |
| 397 | L | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | N | A | -2.5503 | |
| 401 | K | A | -2.3387 | |
| 402 | L | A | 0.0000 | |
| 403 | G | A | -1.0074 | |
| 404 | D | A | -0.7411 | |
| 405 | V | A | 0.7920 | |
| 406 | G | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | A | A | -0.4017 | |
| 409 | E | A | -0.9032 | |
| 410 | L | A | -0.2384 | |
| 411 | C | A | 0.0000 | |
| 412 | P | A | -0.4091 | |
| 413 | G | A | 0.0000 | |
| 414 | L | A | 0.1732 | |
| 415 | L | A | 0.2691 | |
| 416 | G | A | 0.0612 | |
| 417 | S | A | 0.3692 | |
| 418 | G | A | 0.6535 | |
| 419 | L | A | 2.3725 | |
| 420 | F | A | 2.8020 | |
| 421 | T | A | 1.8242 | |
| 422 | Y | A | 1.6034 | |
| 423 | L | A | 0.0000 | |
| 424 | R | A | -2.3288 | |
| 425 | F | A | -2.1729 | |
| 426 | D | A | -3.6204 | |
| 427 | A | A | -2.5711 | |
| 428 | E | A | -2.6787 | |
| 429 | I | A | -0.9014 | |
| 430 | T | A | -0.1864 | |
| 431 | I | A | 0.7724 | |
| 432 | L | A | 1.1681 | |
| 433 | T | A | 0.2464 | |
| 434 | G | A | -0.2920 | |
| 435 | S | A | -0.7485 | |
| 436 | G | A | -0.7699 | |
| 437 | T | A | -0.5876 | |
| 438 | L | A | 0.0925 | |
| 439 | W | A | 0.2041 | |
| 440 | I | A | 0.0000 | |
| 441 | W | A | -0.9083 | |
| 442 | E | A | -2.5102 | |
| 443 | C | A | 0.0000 | |
| 444 | G | A | -2.0301 | |
| 445 | I | A | 0.0000 | |
| 446 | T | A | -1.5643 | |
| 447 | A | A | -1.7353 | |
| 448 | K | A | -1.9095 | |
| 449 | G | A | 0.0000 | |
| 450 | C | A | 0.0000 | |
| 451 | G | A | -1.5704 | |
| 452 | D | A | -1.6332 | |
| 453 | L | A | 0.0000 | |
| 454 | C | A | 0.0000 | |
| 455 | R | A | -2.3305 | |
| 456 | V | A | 0.0000 | |
| 457 | L | A | -1.4209 | |
| 458 | R | A | -2.6598 | |
| 459 | A | A | -0.8312 | |
| 460 | G | A | -0.2742 | |
| 461 | S | A | 0.3083 | |
| 462 | G | A | 1.0789 | |
| 463 | L | A | 1.5053 | |
| 464 | F | A | 0.0000 | |
| 465 | T | A | 0.7705 | |
| 466 | Y | A | 0.4549 | |
| 467 | L | A | 0.0000 | |
| 468 | R | A | -2.1707 | |
| 469 | F | A | 0.0000 | |
| 470 | D | A | -4.2291 | |
| 471 | A | A | 0.0000 | |
| 472 | E | A | -3.4182 | |
| 473 | I | A | 0.0000 | |
| 474 | T | A | -0.5173 | |
| 475 | I | A | 0.0000 | |
| 476 | L | A | 0.8859 | |
| 477 | T | A | 0.3515 | |
| 478 | G | A | -0.3770 | |
| 479 | S | A | -0.9048 | |
| 480 | G | A | -1.0881 | |
| 481 | E | A | -1.4275 | |
| 482 | L | A | 0.0000 | |
| 483 | S | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | A | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | N | A | -2.6981 | |
| 488 | E | A | -2.7115 | |
| 489 | L | A | -1.6370 | |
| 490 | G | A | -1.6632 | |
| 491 | D | A | -1.7283 | |
| 492 | E | A | -2.5716 | |
| 493 | G | A | 0.0000 | |
| 494 | A | A | 0.0000 | |
| 495 | R | A | -2.1458 | |
| 496 | L | A | -1.4261 | |
| 497 | L | A | 0.0000 | |
| 498 | C | A | 0.0000 | |
| 499 | E | A | -1.5503 | |
| 500 | T | A | -1.4175 | |
| 501 | L | A | 0.0000 | |
| 502 | L | A | -0.3703 | |
| 503 | G | A | -0.8133 | |
| 504 | S | A | -0.7826 | |
| 505 | G | A | -0.5164 | |
| 506 | L | A | 0.2812 | |
| 507 | F | A | 0.0000 | |
| 508 | T | A | 0.8537 | |
| 509 | Y | A | 0.6735 | |
| 510 | L | A | 0.0000 | |
| 511 | R | A | -1.6786 | |
| 512 | F | A | -2.6258 | |
| 513 | D | A | -4.0613 | |
| 514 | A | A | 0.0000 | |
| 515 | E | A | -3.7323 | |
| 516 | I | A | 0.0000 | |
| 517 | T | A | -0.5606 | |
| 518 | I | A | 0.0000 | |
| 519 | L | A | 0.8857 | |
| 520 | T | A | 0.0000 | |
| 521 | G | A | -0.0367 | |
| 522 | S | A | -0.7902 | |
| 523 | G | A | -0.9676 | |
| 524 | S | A | -0.8518 | |
| 525 | L | A | -0.3734 | |
| 526 | W | A | -0.0183 | |
| 527 | V | A | 0.0000 | |
| 528 | K | A | -0.9567 | |
| 529 | S | A | -1.4902 | |
| 530 | C | A | 0.0000 | |
| 531 | S | A | -1.4190 | |
| 532 | F | A | 0.0000 | |
| 533 | T | A | -1.4642 | |
| 534 | A | A | -1.4302 | |
| 535 | A | A | -1.0710 | |
| 536 | C | A | -0.9836 | |
| 537 | C | A | 0.0000 | |
| 538 | S | A | -1.0698 | |
| 539 | H | A | -0.8524 | |
| 540 | F | A | 0.0000 | |
| 541 | S | A | 0.0000 | |
| 542 | S | A | -0.7813 | |
| 543 | V | A | 0.0000 | |
| 544 | L | A | -0.2896 | |
| 545 | A | A | -0.6395 | |
| 546 | Q | A | -0.4350 | |
| 547 | G | A | 0.0000 | |
| 548 | S | A | -0.0300 | |
| 549 | G | A | -0.0707 | |
| 550 | L | A | 0.3769 | |
| 551 | F | A | 0.8446 | |
| 552 | T | A | 0.6485 | |
| 553 | Y | A | 0.6406 | |
| 554 | L | A | 0.0000 | |
| 555 | R | A | -1.1179 | |
| 556 | F | A | 0.0000 | |
| 557 | D | A | -3.4594 | |
| 558 | A | A | 0.0000 | |
| 559 | E | A | -3.8637 | |
| 560 | I | A | 0.0000 | |
| 561 | T | A | -0.4513 | |
| 562 | I | A | 0.0000 | |
| 563 | L | A | 1.6663 | |
| 564 | T | A | 0.0000 | |
| 565 | G | A | 0.0344 | |
| 566 | S | A | -0.3887 | |
| 567 | G | A | -0.7750 | |
| 568 | E | A | -0.8338 | |
| 569 | L | A | 0.0614 | |
| 570 | Q | A | 0.0000 | |
| 571 | I | A | 0.0000 | |
| 572 | S | A | 0.0000 | |
| 573 | N | A | -1.5292 | |
| 574 | N | A | -1.9396 | |
| 575 | R | A | -2.9914 | |
| 576 | L | A | 0.0000 | |
| 577 | E | A | -3.0134 | |
| 578 | D | A | -2.6705 | |
| 579 | A | A | -1.7631 | |
| 580 | G | A | 0.0000 | |
| 581 | V | A | 0.0000 | |
| 582 | R | A | -2.9470 | |
| 583 | E | A | -2.3965 | |
| 584 | L | A | 0.0000 | |
| 585 | C | A | -1.4738 | |
| 586 | Q | A | -2.0456 | |
| 587 | G | A | 0.0000 | |
| 588 | L | A | -0.7953 | |
| 589 | G | A | -0.7388 | |
| 590 | G | A | -0.9068 | |
| 591 | S | A | -0.5565 | |
| 592 | G | A | 0.3227 | |
| 593 | L | A | 0.3735 | |
| 594 | F | A | 0.0000 | |
| 595 | T | A | 0.9494 | |
| 596 | Y | A | 1.6295 | |
| 597 | L | A | 0.6304 | |
| 598 | R | A | -1.0646 | |
| 599 | F | A | -2.0434 | |
| 600 | D | A | -3.6562 | |
| 601 | A | A | 0.0000 | |
| 602 | E | A | -3.6283 | |
| 603 | I | A | 0.0000 | |
| 604 | T | A | -0.5092 | |
| 605 | I | A | 0.7967 | |
| 606 | L | A | 1.4460 | |
| 607 | T | A | 0.0000 | |
| 608 | G | A | 0.0399 | |
| 609 | S | A | -0.4491 | |
| 610 | G | A | -0.4659 | |
| 611 | V | A | -0.2194 | |
| 612 | L | A | 0.1593 | |
| 613 | W | A | 0.3504 | |
| 614 | L | A | -0.1849 | |
| 615 | A | A | -1.0085 | |
| 616 | D | A | -1.8064 | |
| 617 | C | A | 0.0000 | |
| 618 | D | A | -2.2557 | |
| 619 | V | A | 0.0000 | |
| 620 | S | A | -1.6247 | |
| 621 | D | A | -2.0726 | |
| 622 | S | A | -1.5123 | |
| 623 | S | A | 0.0000 | |
| 624 | C | A | 0.0000 | |
| 625 | S | A | -0.9489 | |
| 626 | S | A | -0.9003 | |
| 627 | L | A | -0.2035 | |
| 628 | A | A | 0.0000 | |
| 629 | A | A | 0.2124 | |
| 630 | T | A | 0.0000 | |
| 631 | L | A | 0.4982 | |
| 632 | L | A | 0.7156 | |
| 633 | A | A | 0.5776 | |
| 634 | G | A | 0.1639 | |
| 635 | S | A | 0.0319 | |
| 636 | G | A | -0.2764 | |
| 637 | L | A | 0.0000 | |
| 638 | F | A | 1.0507 | |
| 639 | T | A | 1.1151 | |
| 640 | Y | A | 1.5443 | |
| 641 | L | A | 0.0000 | |
| 642 | R | A | -1.6418 | |
| 643 | F | A | 0.0000 | |
| 644 | D | A | -4.0428 | |
| 645 | A | A | 0.0000 | |
| 646 | E | A | -3.8309 | |
| 647 | I | A | 0.0000 | |
| 648 | T | A | -0.5442 | |
| 649 | I | A | 0.0000 | |
| 650 | L | A | 1.0324 | |
| 651 | T | A | 0.0000 | |
| 652 | G | A | -0.0620 | |
| 653 | S | A | -0.4508 | |
| 654 | G | A | -0.5730 | |
| 655 | E | A | -0.6532 | |
| 656 | L | A | 0.0319 | |
| 657 | D | A | 0.0000 | |
| 658 | L | A | 0.0000 | |
| 659 | S | A | 0.0000 | |
| 660 | N | A | -1.7453 | |
| 661 | N | A | -1.5960 | |
| 662 | C | A | -0.8667 | |
| 663 | L | A | 0.0000 | |
| 664 | G | A | -0.4595 | |
| 665 | D | A | -0.4142 | |
| 666 | A | A | -0.5416 | |
| 667 | G | A | 0.0000 | |
| 668 | I | A | 0.0000 | |
| 669 | L | A | -0.6629 | |
| 670 | Q | A | -1.1870 | |
| 671 | L | A | 0.0000 | |
| 672 | V | A | 0.0000 | |
| 673 | E | A | -1.8269 | |
| 674 | S | A | 0.0000 | |
| 675 | V | A | 0.0000 | |
| 676 | R | A | -1.5139 | |
| 677 | G | A | -0.7365 | |
| 678 | S | A | -0.1448 | |
| 679 | G | A | 0.0000 | |
| 680 | L | A | 0.0000 | |
| 681 | F | A | 0.0000 | |
| 682 | T | A | 0.9643 | |
| 683 | Y | A | 1.0727 | |
| 684 | L | A | 0.0000 | |
| 685 | R | A | -2.5417 | |
| 686 | F | A | 0.0000 | |
| 687 | D | A | -3.9712 | |
| 688 | A | A | -3.4925 | |
| 689 | E | A | -3.3258 | |
| 690 | I | A | 0.0000 | |
| 691 | T | A | -0.4649 | |
| 692 | I | A | 0.0000 | |
| 693 | L | A | 1.1171 | |
| 694 | T | A | 0.0000 | |
| 695 | G | A | -0.1206 | |
| 696 | S | A | 0.0000 | |
| 697 | G | A | -0.7094 | |
| 698 | Q | A | -0.7063 | |
| 699 | L | A | 0.0000 | |
| 700 | V | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | Y | A | -0.0040 | |
| 703 | D | A | -1.4714 | |
| 704 | I | A | 0.0997 | |
| 705 | Y | A | 1.0691 | |
| 706 | W | A | 0.0339 | |
| 707 | S | A | -1.4894 | |
| 708 | E | A | -3.3940 | |
| 709 | E | A | -3.7419 | |
| 710 | M | A | -2.3540 | |
| 711 | E | A | -2.9852 | |
| 712 | D | A | -3.9640 | |
| 713 | R | A | -3.3784 | |
| 714 | L | A | -2.7719 | |
| 715 | Q | A | -3.6375 | |
| 716 | A | A | -3.0237 | |
| 717 | L | A | 0.0000 | |
| 718 | E | A | -4.2701 | |
| 719 | K | A | -3.8871 | |
| 720 | D | A | -3.7339 | |
| 721 | G | A | -2.9887 | |
| 722 | S | A | 0.0000 | |
| 723 | G | A | -1.4415 | |
| 724 | L | A | 0.0000 | |
| 725 | F | A | 0.0000 | |
| 726 | T | A | -0.1633 | |
| 727 | Y | A | 0.2215 | |
| 728 | L | A | 0.0000 | |
| 729 | R | A | -2.2968 | |
| 730 | F | A | -2.4153 | |
| 731 | D | A | -3.1361 | |
| 732 | A | A | 0.0000 | |
| 733 | E | A | -3.3210 | |
| 734 | I | A | -2.0405 | |
| 735 | T | A | -0.4438 | |
| 736 | I | A | 0.7422 | |
| 737 | L | A | 1.0299 | |
| 738 | T | A | 0.1720 | |
| 739 | G | A | -1.1115 | |
| 740 | S | A | -1.2848 | |
| 741 | G | A | -1.8356 | |
| 742 | R | A | -1.5244 | |
| 743 | V | A | -0.1680 | |
| 744 | I | A | 1.1703 | |
| 745 | S | A | 0.4880 |
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, -0.6619 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_10 | -0.6619 | View | CSV | PDB |
| input | -0.6854 | View | CSV | PDB |
| model_11 | -0.6894 | View | CSV | PDB |
| model_3 | -0.6962 | View | CSV | PDB |
| model_4 | -0.6969 | View | CSV | PDB |
| model_8 | -0.7029 | View | CSV | PDB |
| model_7 | -0.712 | View | CSV | PDB |
| CABS_average | -0.7141 | View | CSV | PDB |
| model_2 | -0.7181 | View | CSV | PDB |
| model_9 | -0.722 | View | CSV | PDB |
| model_5 | -0.7222 | View | CSV | PDB |
| model_0 | -0.7346 | View | CSV | PDB |
| model_6 | -0.7437 | View | CSV | PDB |
| model_1 | -0.7694 | 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