Project name: C29_E18_EF_D68_EF_GSG
Status: done
Started: 2026-07-21 11:07:29
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGVRLDDCGLTEARCKDISSALRVGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELNLRSNELGDVGVHCVLQGLQGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGKLSLQNCCLTGAGCGVLSSTLRTGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELHLSDNLLGDAGLQLLCEGLLGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGKLQLEYCSLSAASCEPLASVLRAGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELTVSNNDINEAGVRVLCQGLKDGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGALKLESCGVTSDNCRDLCGIVASGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELALGSNKLGDVGMAELCPGLLGSGLFTYLRFDAEITILTGSGTLWIWECGITAKGCGDLCRVLRAGSGLFTYLRFDAEITILTGSGELSLAGNELGDEGARLLCETLLGSGLFTYLRFDAEITILTGSGSLWVKSCSFTAACCSHFSSVLAQGSGLFTYLRFDAEITILTGSGELQISNNRLEDAGVRELCQGLGGSGLFTYLRFDAEITILTGSGVLWLADCDVSDSSCSSLAATLLAGSGLFTYLRFDAEITILTGSGELDLSNNCLGDAGILQLVESVRGSGLFTYLRFDAEITILTGSGQLVLYDIYWSEEMEDRLQALEKDGSGLFTYLRFDAEITILTGSGRVIS
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 (00:12:54)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:15:58)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:16:05)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:16:12)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:16:19)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:16:26)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:16:33)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:16:40)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:16:47)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:16:54)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:17:02)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:17:09)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:17:16)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:17:23)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:17:39)
[INFO] Main: Simulation completed successfully. (03:17:47)
|
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
- -3.9345
- Maximal score value
- 2.6942
- Average score
- -0.4639
- Total score value
- -408.7287
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 | 0.1922 | |
| 2 | L | A | 0.7282 | |
| 3 | D | A | -0.9747 | |
| 4 | I | A | -0.1797 | |
| 5 | Q | A | -1.5885 | |
| 6 | S | A | -1.3192 | |
| 7 | L | A | -0.8054 | |
| 8 | D | A | -2.0623 | |
| 9 | I | A | -1.7501 | |
| 10 | Q | A | -2.0239 | |
| 11 | C | A | -1.3785 | |
| 12 | E | A | -2.8743 | |
| 13 | E | A | -3.4181 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.3785 | |
| 16 | D | A | -2.8432 | |
| 17 | A | A | -2.1400 | |
| 18 | R | A | -3.1712 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.7514 | |
| 21 | E | A | -2.4821 | |
| 22 | L | A | -1.2823 | |
| 23 | L | A | -0.8304 | |
| 24 | P | A | -0.7580 | |
| 25 | L | A | -0.2448 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.9813 | |
| 28 | G | A | -0.7067 | |
| 29 | S | A | -0.5117 | |
| 30 | G | A | -0.2697 | |
| 31 | P | A | 0.5972 | |
| 32 | V | A | 0.8329 | |
| 33 | L | A | 1.4986 | |
| 34 | T | A | 0.0000 | |
| 35 | H | A | 0.1430 | |
| 36 | Q | A | 0.7900 | |
| 37 | I | A | 2.0476 | |
| 38 | M | A | 1.2653 | |
| 39 | Y | A | 1.2603 | |
| 40 | V | A | 0.5706 | |
| 41 | P | A | -0.0420 | |
| 42 | P | A | -0.4725 | |
| 43 | G | A | -0.4445 | |
| 44 | G | A | 0.0043 | |
| 45 | P | A | 0.3536 | |
| 46 | I | A | 1.4887 | |
| 47 | P | A | 0.0000 | |
| 48 | A | A | -0.3483 | |
| 49 | K | A | -1.2644 | |
| 50 | V | A | 0.0015 | |
| 51 | D | A | -1.6025 | |
| 52 | S | A | -1.0584 | |
| 53 | Y | A | -0.7118 | |
| 54 | E | A | -0.8660 | |
| 55 | W | A | 0.0587 | |
| 56 | Q | A | 0.0689 | |
| 57 | T | A | 0.3341 | |
| 58 | S | A | 0.2737 | |
| 59 | T | A | -0.4946 | |
| 60 | N | A | -0.8900 | |
| 61 | P | A | -0.2406 | |
| 62 | S | A | 0.8205 | |
| 63 | V | A | 1.7692 | |
| 64 | F | A | 0.0000 | |
| 65 | W | A | 0.7011 | |
| 66 | T | A | 0.0000 | |
| 67 | E | A | -1.7125 | |
| 68 | G | A | -1.5049 | |
| 69 | S | A | -1.2312 | |
| 70 | G | A | -1.4702 | |
| 71 | V | A | -1.0736 | |
| 72 | R | A | -1.8316 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | -2.0168 | |
| 75 | D | A | -2.6140 | |
| 76 | C | A | 0.0000 | |
| 77 | G | A | -2.0595 | |
| 78 | L | A | 0.0000 | |
| 79 | T | A | -1.5119 | |
| 80 | E | A | -2.2733 | |
| 81 | A | A | -1.3858 | |
| 82 | R | A | -1.7092 | |
| 83 | C | A | 0.0000 | |
| 84 | K | A | -2.2915 | |
| 85 | D | A | -1.7100 | |
| 86 | I | A | 0.0000 | |
| 87 | S | A | -1.4288 | |
| 88 | S | A | -1.2475 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | -0.9874 | |
| 91 | R | A | -1.6881 | |
| 92 | V | A | -0.2388 | |
| 93 | G | A | -0.5627 | |
| 94 | S | A | -0.6907 | |
| 95 | G | A | -0.2536 | |
| 96 | P | A | 0.5832 | |
| 97 | V | A | 1.3727 | |
| 98 | L | A | 1.6992 | |
| 99 | T | A | 0.8232 | |
| 100 | H | A | -0.5775 | |
| 101 | Q | A | -0.4992 | |
| 102 | I | A | -0.0312 | |
| 103 | M | A | -0.0903 | |
| 104 | Y | A | 0.1122 | |
| 105 | V | A | 0.1083 | |
| 106 | P | A | -0.2092 | |
| 107 | P | A | -0.5806 | |
| 108 | G | A | -0.5223 | |
| 109 | G | A | -0.1486 | |
| 110 | P | A | 0.1208 | |
| 111 | I | A | 0.7759 | |
| 112 | P | A | 0.0000 | |
| 113 | A | A | -0.5108 | |
| 114 | K | A | -1.4708 | |
| 115 | V | A | -0.5465 | |
| 116 | D | A | -1.7825 | |
| 117 | S | A | -1.2448 | |
| 118 | Y | A | -0.8006 | |
| 119 | E | A | -1.1717 | |
| 120 | W | A | 0.0000 | |
| 121 | Q | A | -0.4983 | |
| 122 | T | A | -0.2224 | |
| 123 | S | A | 0.0000 | |
| 124 | T | A | -0.2252 | |
| 125 | N | A | -0.8378 | |
| 126 | P | A | -0.4372 | |
| 127 | S | A | 0.0000 | |
| 128 | V | A | 1.3956 | |
| 129 | F | A | 0.0000 | |
| 130 | W | A | 0.6258 | |
| 131 | T | A | 0.0000 | |
| 132 | E | A | -1.0846 | |
| 133 | G | A | -1.0121 | |
| 134 | S | A | -1.5751 | |
| 135 | G | A | -1.5292 | |
| 136 | E | A | -2.0032 | |
| 137 | L | A | 0.0000 | |
| 138 | N | A | -1.3053 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -1.9430 | |
| 141 | S | A | -1.7500 | |
| 142 | N | A | 0.0000 | |
| 143 | E | A | -2.5451 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | -0.5903 | |
| 146 | D | A | -0.0034 | |
| 147 | V | A | 0.8399 | |
| 148 | G | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | H | A | -0.4308 | |
| 151 | C | A | -0.7605 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.2384 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | -0.6999 | |
| 157 | Q | A | -1.1281 | |
| 158 | G | A | -1.2931 | |
| 159 | S | A | -0.8674 | |
| 160 | G | A | -0.5959 | |
| 161 | P | A | 0.5070 | |
| 162 | V | A | 1.9402 | |
| 163 | L | A | 2.1480 | |
| 164 | T | A | 1.0243 | |
| 165 | H | A | -0.2760 | |
| 166 | Q | A | -0.3730 | |
| 167 | I | A | -0.1112 | |
| 168 | M | A | 0.0000 | |
| 169 | Y | A | 0.1683 | |
| 170 | V | A | 0.1713 | |
| 171 | P | A | -0.2051 | |
| 172 | P | A | -0.5839 | |
| 173 | G | A | -0.4725 | |
| 174 | G | A | -0.0884 | |
| 175 | P | A | 0.3445 | |
| 176 | I | A | 1.2062 | |
| 177 | P | A | 0.0000 | |
| 178 | A | A | -0.5417 | |
| 179 | K | A | -1.3782 | |
| 180 | V | A | -0.5423 | |
| 181 | D | A | -1.7510 | |
| 182 | S | A | -1.3089 | |
| 183 | Y | A | -0.6932 | |
| 184 | E | A | -0.8869 | |
| 185 | W | A | 0.0000 | |
| 186 | Q | A | -0.3428 | |
| 187 | T | A | 0.1114 | |
| 188 | S | A | 0.0000 | |
| 189 | T | A | -0.1487 | |
| 190 | N | A | -0.3831 | |
| 191 | P | A | -0.1741 | |
| 192 | S | A | 0.0000 | |
| 193 | V | A | 0.9205 | |
| 194 | F | A | 0.0000 | |
| 195 | W | A | 0.4302 | |
| 196 | T | A | 0.0000 | |
| 197 | E | A | -0.4834 | |
| 198 | G | A | -0.5566 | |
| 199 | S | A | -1.3027 | |
| 200 | G | A | -1.5648 | |
| 201 | K | A | -1.8973 | |
| 202 | L | A | -1.0006 | |
| 203 | S | A | -0.9938 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.1870 | |
| 206 | N | A | -1.5105 | |
| 207 | C | A | 0.0000 | |
| 208 | C | A | -0.0465 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | 0.5444 | |
| 211 | G | A | 0.1682 | |
| 212 | A | A | 0.3389 | |
| 213 | G | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | G | A | -0.1668 | |
| 216 | V | A | 0.0166 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | -0.4578 | |
| 219 | S | A | -0.8477 | |
| 220 | T | A | -0.8224 | |
| 221 | L | A | -0.9170 | |
| 222 | R | A | -2.0524 | |
| 223 | T | A | -1.4305 | |
| 224 | G | A | -1.3266 | |
| 225 | S | A | -1.1236 | |
| 226 | G | A | -0.5340 | |
| 227 | P | A | 0.5157 | |
| 228 | V | A | 1.8029 | |
| 229 | L | A | 2.3631 | |
| 230 | T | A | 1.2150 | |
| 231 | H | A | 0.0240 | |
| 232 | Q | A | -0.1985 | |
| 233 | I | A | -0.0142 | |
| 234 | M | A | 0.0154 | |
| 235 | Y | A | 0.2434 | |
| 236 | V | A | 0.2439 | |
| 237 | P | A | -0.1638 | |
| 238 | P | A | -0.6126 | |
| 239 | G | A | -0.4737 | |
| 240 | G | A | -0.1015 | |
| 241 | P | A | 0.3530 | |
| 242 | I | A | 1.2317 | |
| 243 | P | A | 0.0000 | |
| 244 | A | A | -0.5175 | |
| 245 | K | A | -1.5153 | |
| 246 | V | A | -0.4877 | |
| 247 | D | A | -1.5369 | |
| 248 | S | A | -1.1877 | |
| 249 | Y | A | -0.4970 | |
| 250 | E | A | -0.6512 | |
| 251 | W | A | 0.0000 | |
| 252 | Q | A | -0.2322 | |
| 253 | T | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | T | A | -0.0980 | |
| 256 | N | A | -0.3210 | |
| 257 | P | A | -0.1749 | |
| 258 | S | A | 0.0000 | |
| 259 | V | A | 0.8333 | |
| 260 | F | A | 0.0000 | |
| 261 | W | A | 0.3651 | |
| 262 | T | A | 0.0000 | |
| 263 | E | A | -0.4931 | |
| 264 | G | A | -0.4883 | |
| 265 | S | A | -1.1608 | |
| 266 | G | A | -1.2548 | |
| 267 | E | A | -1.5019 | |
| 268 | L | A | 0.0000 | |
| 269 | H | A | -0.9208 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | D | A | -0.5820 | |
| 273 | N | A | 0.0000 | |
| 274 | L | A | 1.4653 | |
| 275 | L | A | 0.0000 | |
| 276 | G | A | 0.0611 | |
| 277 | D | A | -0.5070 | |
| 278 | A | A | -0.2620 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | Q | A | -0.8876 | |
| 282 | L | A | 0.0175 | |
| 283 | L | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | E | A | -1.1480 | |
| 286 | G | A | 0.0000 | |
| 287 | L | A | -0.1656 | |
| 288 | L | A | -0.1456 | |
| 289 | G | A | -1.0112 | |
| 290 | S | A | -0.9142 | |
| 291 | G | A | -0.3878 | |
| 292 | P | A | 0.7384 | |
| 293 | V | A | 2.3744 | |
| 294 | L | A | 2.6942 | |
| 295 | T | A | 1.5326 | |
| 296 | H | A | 0.3007 | |
| 297 | Q | A | -0.2351 | |
| 298 | I | A | 0.0203 | |
| 299 | M | A | 0.0000 | |
| 300 | Y | A | 0.1962 | |
| 301 | V | A | 0.2126 | |
| 302 | P | A | -0.1805 | |
| 303 | P | A | -0.6220 | |
| 304 | G | A | -0.5131 | |
| 305 | G | A | -0.1859 | |
| 306 | P | A | 0.2830 | |
| 307 | I | A | 1.1757 | |
| 308 | P | A | 0.0000 | |
| 309 | A | A | -0.4810 | |
| 310 | K | A | -1.4155 | |
| 311 | V | A | -0.4647 | |
| 312 | D | A | -1.4737 | |
| 313 | S | A | -1.1202 | |
| 314 | Y | A | -0.5618 | |
| 315 | E | A | -0.6048 | |
| 316 | W | A | 0.0000 | |
| 317 | Q | A | -0.3034 | |
| 318 | T | A | -0.0411 | |
| 319 | S | A | 0.0000 | |
| 320 | T | A | -0.1474 | |
| 321 | N | A | -0.4267 | |
| 322 | P | A | -0.2122 | |
| 323 | S | A | 0.0000 | |
| 324 | V | A | 0.8532 | |
| 325 | F | A | 0.0000 | |
| 326 | W | A | 0.4027 | |
| 327 | T | A | 0.4646 | |
| 328 | E | A | -0.4887 | |
| 329 | G | A | -0.4930 | |
| 330 | S | A | -1.1487 | |
| 331 | G | A | -1.3208 | |
| 332 | K | A | -1.5484 | |
| 333 | L | A | -0.7750 | |
| 334 | Q | A | -0.6336 | |
| 335 | L | A | 0.0000 | |
| 336 | E | A | -0.1984 | |
| 337 | Y | A | 0.5908 | |
| 338 | C | A | 0.0000 | |
| 339 | S | A | -0.1056 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -0.9655 | |
| 342 | A | A | -1.1745 | |
| 343 | A | A | -0.5656 | |
| 344 | S | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | E | A | -1.8463 | |
| 347 | P | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | S | A | -0.8564 | |
| 351 | V | A | -0.2101 | |
| 352 | L | A | -0.8179 | |
| 353 | R | A | -1.5103 | |
| 354 | A | A | -0.6887 | |
| 355 | G | A | -0.7511 | |
| 356 | S | A | -0.9570 | |
| 357 | G | A | -0.3237 | |
| 358 | P | A | 0.7398 | |
| 359 | V | A | 2.1052 | |
| 360 | L | A | 2.4618 | |
| 361 | T | A | 1.2232 | |
| 362 | H | A | -0.0079 | |
| 363 | Q | A | -0.2410 | |
| 364 | I | A | -0.0315 | |
| 365 | M | A | 0.0000 | |
| 366 | Y | A | 0.2048 | |
| 367 | V | A | 0.2029 | |
| 368 | P | A | -0.2408 | |
| 369 | P | A | -0.6465 | |
| 370 | G | A | -0.4770 | |
| 371 | G | A | -0.0579 | |
| 372 | P | A | 0.3759 | |
| 373 | I | A | 1.3119 | |
| 374 | P | A | 0.0000 | |
| 375 | A | A | -0.5112 | |
| 376 | K | A | -1.5655 | |
| 377 | V | A | -0.8183 | |
| 378 | D | A | -1.5852 | |
| 379 | S | A | -1.1467 | |
| 380 | Y | A | -0.4690 | |
| 381 | E | A | -0.5598 | |
| 382 | W | A | 0.0000 | |
| 383 | Q | A | -0.1971 | |
| 384 | T | A | 0.1602 | |
| 385 | S | A | -0.0404 | |
| 386 | T | A | -0.2392 | |
| 387 | N | A | -0.5101 | |
| 388 | P | A | -0.3269 | |
| 389 | S | A | 0.0000 | |
| 390 | V | A | 1.0420 | |
| 391 | F | A | 0.7666 | |
| 392 | W | A | 0.5044 | |
| 393 | T | A | 0.4415 | |
| 394 | E | A | -0.4958 | |
| 395 | G | A | -0.4915 | |
| 396 | S | A | -1.1143 | |
| 397 | G | A | -1.2232 | |
| 398 | E | A | -1.4153 | |
| 399 | L | A | 0.0000 | |
| 400 | T | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | N | A | -0.6937 | |
| 404 | N | A | 0.0000 | |
| 405 | D | A | -2.1871 | |
| 406 | I | A | 0.0000 | |
| 407 | N | A | -2.0512 | |
| 408 | E | A | -2.6735 | |
| 409 | A | A | -1.4120 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | R | A | -2.6609 | |
| 413 | V | A | -1.3179 | |
| 414 | L | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | Q | A | -2.4544 | |
| 417 | G | A | 0.0000 | |
| 418 | L | A | -1.3195 | |
| 419 | K | A | -2.4140 | |
| 420 | D | A | -2.8162 | |
| 421 | G | A | 0.0000 | |
| 422 | S | A | -1.2734 | |
| 423 | G | A | -0.6656 | |
| 424 | P | A | 0.6178 | |
| 425 | V | A | 2.3528 | |
| 426 | L | A | 1.9793 | |
| 427 | T | A | 1.2297 | |
| 428 | H | A | 0.2108 | |
| 429 | Q | A | -0.2964 | |
| 430 | I | A | 0.0660 | |
| 431 | M | A | 0.0000 | |
| 432 | Y | A | 0.1784 | |
| 433 | V | A | 0.2659 | |
| 434 | P | A | -0.1582 | |
| 435 | P | A | -0.5914 | |
| 436 | G | A | -0.4610 | |
| 437 | G | A | -0.0388 | |
| 438 | P | A | 0.3523 | |
| 439 | I | A | 1.2693 | |
| 440 | P | A | 0.0000 | |
| 441 | A | A | -0.4414 | |
| 442 | K | A | -1.3460 | |
| 443 | V | A | -0.3176 | |
| 444 | D | A | -1.5559 | |
| 445 | S | A | -1.0717 | |
| 446 | Y | A | -0.5023 | |
| 447 | E | A | -0.7378 | |
| 448 | W | A | 0.0000 | |
| 449 | Q | A | -0.3655 | |
| 450 | T | A | 0.0837 | |
| 451 | S | A | -0.0478 | |
| 452 | T | A | -0.4439 | |
| 453 | N | A | -0.8514 | |
| 454 | P | A | -0.5962 | |
| 455 | S | A | 0.0000 | |
| 456 | V | A | 1.0994 | |
| 457 | F | A | 0.9751 | |
| 458 | W | A | 0.6008 | |
| 459 | T | A | 0.3057 | |
| 460 | E | A | -0.4766 | |
| 461 | G | A | -0.5432 | |
| 462 | S | A | -1.1629 | |
| 463 | G | A | -1.1980 | |
| 464 | A | A | -1.1193 | |
| 465 | L | A | -0.6237 | |
| 466 | K | A | -0.7601 | |
| 467 | L | A | 0.0000 | |
| 468 | E | A | -0.6384 | |
| 469 | S | A | -1.1458 | |
| 470 | C | A | 0.0000 | |
| 471 | G | A | -1.8536 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.7398 | |
| 474 | S | A | -1.4670 | |
| 475 | D | A | -2.6445 | |
| 476 | N | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | R | A | -2.7711 | |
| 479 | D | A | -2.1183 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | -0.6845 | |
| 482 | G | A | -0.8599 | |
| 483 | I | A | -0.8101 | |
| 484 | V | A | -0.0860 | |
| 485 | A | A | -0.1902 | |
| 486 | S | A | -0.7157 | |
| 487 | G | A | -0.8758 | |
| 488 | S | A | -0.5031 | |
| 489 | G | A | -0.2756 | |
| 490 | P | A | 0.3615 | |
| 491 | V | A | 1.3011 | |
| 492 | L | A | 1.8131 | |
| 493 | T | A | 0.6849 | |
| 494 | H | A | -0.1549 | |
| 495 | Q | A | -0.9790 | |
| 496 | I | A | -0.5514 | |
| 497 | M | A | 0.0000 | |
| 498 | Y | A | -0.3074 | |
| 499 | V | A | 0.0322 | |
| 500 | P | A | -0.1780 | |
| 501 | P | A | -0.5772 | |
| 502 | G | A | -0.4800 | |
| 503 | G | A | -0.0757 | |
| 504 | P | A | 0.1927 | |
| 505 | I | A | 0.9379 | |
| 506 | P | A | 0.0000 | |
| 507 | A | A | -0.5553 | |
| 508 | K | A | -1.3119 | |
| 509 | V | A | -0.0218 | |
| 510 | D | A | -1.5027 | |
| 511 | S | A | -1.0745 | |
| 512 | Y | A | -0.3710 | |
| 513 | E | A | -1.5657 | |
| 514 | W | A | 0.0000 | |
| 515 | Q | A | -1.6853 | |
| 516 | T | A | -1.0505 | |
| 517 | S | A | -0.8024 | |
| 518 | T | A | -0.6331 | |
| 519 | N | A | -1.3944 | |
| 520 | P | A | -0.9911 | |
| 521 | S | A | -0.3115 | |
| 522 | V | A | 0.7578 | |
| 523 | F | A | 0.9485 | |
| 524 | W | A | 0.7269 | |
| 525 | T | A | 0.2999 | |
| 526 | E | A | -0.4871 | |
| 527 | G | A | -0.5175 | |
| 528 | S | A | -0.9084 | |
| 529 | G | A | -1.1149 | |
| 530 | E | A | -1.4487 | |
| 531 | L | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | S | A | -1.2353 | |
| 536 | N | A | 0.0000 | |
| 537 | K | A | -2.0444 | |
| 538 | L | A | 0.0000 | |
| 539 | G | A | -0.6711 | |
| 540 | D | A | -0.3640 | |
| 541 | V | A | 0.7868 | |
| 542 | G | A | 0.0000 | |
| 543 | M | A | 0.0000 | |
| 544 | A | A | -0.2773 | |
| 545 | E | A | -0.9752 | |
| 546 | L | A | 0.0000 | |
| 547 | C | A | 0.0000 | |
| 548 | P | A | -0.6775 | |
| 549 | G | A | 0.0000 | |
| 550 | L | A | 0.1094 | |
| 551 | L | A | -0.3919 | |
| 552 | G | A | -0.4763 | |
| 553 | S | A | -0.4436 | |
| 554 | G | A | -0.2224 | |
| 555 | L | A | 0.6248 | |
| 556 | F | A | 1.2532 | |
| 557 | T | A | 1.0512 | |
| 558 | Y | A | 1.3509 | |
| 559 | L | A | 0.2503 | |
| 560 | R | A | -1.7427 | |
| 561 | F | A | -1.6698 | |
| 562 | D | A | -2.6752 | |
| 563 | A | A | -1.8057 | |
| 564 | E | A | -2.3492 | |
| 565 | I | A | -0.3041 | |
| 566 | T | A | 0.0000 | |
| 567 | I | A | 0.0000 | |
| 568 | L | A | 0.2599 | |
| 569 | T | A | -0.0770 | |
| 570 | G | A | 0.0000 | |
| 571 | S | A | -0.6711 | |
| 572 | G | A | -0.8348 | |
| 573 | T | A | -0.6688 | |
| 574 | L | A | -0.1107 | |
| 575 | W | A | 0.0132 | |
| 576 | I | A | 0.0000 | |
| 577 | W | A | -0.6047 | |
| 578 | E | A | -2.2904 | |
| 579 | C | A | 0.0000 | |
| 580 | G | A | -1.7382 | |
| 581 | I | A | 0.0000 | |
| 582 | T | A | -1.5412 | |
| 583 | A | A | -1.7702 | |
| 584 | K | A | -1.8583 | |
| 585 | G | A | 0.0000 | |
| 586 | C | A | 0.0000 | |
| 587 | G | A | -1.5289 | |
| 588 | D | A | -1.4080 | |
| 589 | L | A | 0.0000 | |
| 590 | C | A | 0.0000 | |
| 591 | R | A | -2.3708 | |
| 592 | V | A | 0.0000 | |
| 593 | L | A | -1.0207 | |
| 594 | R | A | -2.0809 | |
| 595 | A | A | -1.1926 | |
| 596 | G | A | -0.7398 | |
| 597 | S | A | -0.7223 | |
| 598 | G | A | -0.0875 | |
| 599 | L | A | 0.4633 | |
| 600 | F | A | 0.0000 | |
| 601 | T | A | 0.6884 | |
| 602 | Y | A | 0.4963 | |
| 603 | L | A | 0.0000 | |
| 604 | R | A | -1.7245 | |
| 605 | F | A | 0.0000 | |
| 606 | D | A | -2.9294 | |
| 607 | A | A | 0.0000 | |
| 608 | E | A | -2.9112 | |
| 609 | I | A | -0.7676 | |
| 610 | T | A | 0.0000 | |
| 611 | I | A | 0.9682 | |
| 612 | L | A | 0.0000 | |
| 613 | T | A | 0.1072 | |
| 614 | G | A | 0.0000 | |
| 615 | S | A | -0.3752 | |
| 616 | G | A | -0.4201 | |
| 617 | E | A | -0.5594 | |
| 618 | L | A | 0.1511 | |
| 619 | S | A | 0.0000 | |
| 620 | L | A | 0.0000 | |
| 621 | A | A | -0.8564 | |
| 622 | G | A | -1.5541 | |
| 623 | N | A | 0.0000 | |
| 624 | E | A | -2.3310 | |
| 625 | L | A | 0.0000 | |
| 626 | G | A | -1.4246 | |
| 627 | D | A | -1.5070 | |
| 628 | E | A | -1.8224 | |
| 629 | G | A | 0.0000 | |
| 630 | A | A | 0.0000 | |
| 631 | R | A | -1.5642 | |
| 632 | L | A | -1.4657 | |
| 633 | L | A | 0.0000 | |
| 634 | C | A | 0.0000 | |
| 635 | E | A | -1.8341 | |
| 636 | T | A | 0.0000 | |
| 637 | L | A | -0.3297 | |
| 638 | L | A | -0.3236 | |
| 639 | G | A | -0.7745 | |
| 640 | S | A | -0.5332 | |
| 641 | G | A | -0.0735 | |
| 642 | L | A | 0.0501 | |
| 643 | F | A | 0.0000 | |
| 644 | T | A | 0.1525 | |
| 645 | Y | A | 0.1196 | |
| 646 | L | A | 0.0000 | |
| 647 | R | A | -1.9261 | |
| 648 | F | A | 0.0000 | |
| 649 | D | A | -3.3513 | |
| 650 | A | A | 0.0000 | |
| 651 | E | A | -3.1824 | |
| 652 | I | A | -0.5788 | |
| 653 | T | A | 0.0000 | |
| 654 | I | A | 1.2022 | |
| 655 | L | A | 0.0000 | |
| 656 | T | A | 0.1828 | |
| 657 | G | A | 0.0000 | |
| 658 | S | A | -0.3990 | |
| 659 | G | A | -0.4224 | |
| 660 | S | A | -0.2660 | |
| 661 | L | A | 0.0498 | |
| 662 | W | A | 0.2017 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -0.8542 | |
| 665 | S | A | -1.7214 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5585 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.0825 | |
| 670 | A | A | -1.1355 | |
| 671 | A | A | -0.7969 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.9183 | |
| 675 | H | A | -0.8995 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -1.0023 | |
| 678 | S | A | -0.7658 | |
| 679 | V | A | -0.2666 | |
| 680 | L | A | -0.1984 | |
| 681 | A | A | -0.7677 | |
| 682 | Q | A | -1.0223 | |
| 683 | G | A | 0.0000 | |
| 684 | S | A | -0.1982 | |
| 685 | G | A | -0.2757 | |
| 686 | L | A | 0.0000 | |
| 687 | F | A | 0.0000 | |
| 688 | T | A | 0.1084 | |
| 689 | Y | A | 0.2969 | |
| 690 | L | A | 0.0000 | |
| 691 | R | A | -1.2899 | |
| 692 | F | A | 0.0000 | |
| 693 | D | A | -2.7146 | |
| 694 | A | A | 0.0000 | |
| 695 | E | A | -2.5876 | |
| 696 | I | A | -0.2771 | |
| 697 | T | A | 0.0000 | |
| 698 | I | A | 1.3551 | |
| 699 | L | A | 0.0000 | |
| 700 | T | A | 0.2048 | |
| 701 | G | A | 0.0000 | |
| 702 | S | A | -0.2889 | |
| 703 | G | A | -0.3253 | |
| 704 | E | A | -0.2928 | |
| 705 | L | A | 0.1912 | |
| 706 | Q | A | 0.0000 | |
| 707 | I | A | 0.0000 | |
| 708 | S | A | 0.0000 | |
| 709 | N | A | -2.6619 | |
| 710 | N | A | 0.0000 | |
| 711 | R | A | -3.2554 | |
| 712 | L | A | 0.0000 | |
| 713 | E | A | -2.7919 | |
| 714 | D | A | -1.9709 | |
| 715 | A | A | -1.2572 | |
| 716 | G | A | 0.0000 | |
| 717 | V | A | 0.0000 | |
| 718 | R | A | -2.0773 | |
| 719 | E | A | -2.2339 | |
| 720 | L | A | 0.0000 | |
| 721 | C | A | 0.0000 | |
| 722 | Q | A | -2.0130 | |
| 723 | G | A | 0.0000 | |
| 724 | L | A | -0.7972 | |
| 725 | G | A | -0.8806 | |
| 726 | G | A | -1.0020 | |
| 727 | S | A | 0.0000 | |
| 728 | G | A | 0.0000 | |
| 729 | L | A | -0.0598 | |
| 730 | F | A | 0.0000 | |
| 731 | T | A | 0.1558 | |
| 732 | Y | A | 0.5001 | |
| 733 | L | A | 0.0000 | |
| 734 | R | A | -0.9624 | |
| 735 | F | A | 0.0000 | |
| 736 | D | A | -1.8079 | |
| 737 | A | A | 0.0000 | |
| 738 | E | A | -2.4108 | |
| 739 | I | A | -0.1575 | |
| 740 | T | A | 0.0000 | |
| 741 | I | A | 1.2247 | |
| 742 | L | A | 0.0000 | |
| 743 | T | A | 0.1829 | |
| 744 | G | A | 0.0000 | |
| 745 | S | A | -0.3195 | |
| 746 | G | A | -0.2573 | |
| 747 | V | A | 0.0186 | |
| 748 | L | A | 0.2085 | |
| 749 | W | A | -0.0135 | |
| 750 | L | A | 0.0000 | |
| 751 | A | A | -1.6583 | |
| 752 | D | A | -3.1431 | |
| 753 | C | A | 0.0000 | |
| 754 | D | A | -3.3662 | |
| 755 | V | A | 0.0000 | |
| 756 | S | A | -0.9096 | |
| 757 | D | A | -0.9954 | |
| 758 | S | A | -0.9161 | |
| 759 | S | A | 0.0000 | |
| 760 | C | A | 0.0000 | |
| 761 | S | A | -0.5582 | |
| 762 | S | A | -0.8489 | |
| 763 | L | A | 0.0000 | |
| 764 | A | A | 0.0000 | |
| 765 | A | A | 0.1242 | |
| 766 | T | A | 0.0000 | |
| 767 | L | A | 0.3915 | |
| 768 | L | A | 0.3727 | |
| 769 | A | A | 0.3016 | |
| 770 | G | A | 0.0000 | |
| 771 | S | A | -0.1152 | |
| 772 | G | A | -0.2527 | |
| 773 | L | A | 0.0000 | |
| 774 | F | A | 0.0000 | |
| 775 | T | A | 0.2501 | |
| 776 | Y | A | 0.4749 | |
| 777 | L | A | 0.0000 | |
| 778 | R | A | -0.9755 | |
| 779 | F | A | 0.0000 | |
| 780 | D | A | -2.1224 | |
| 781 | A | A | 0.0000 | |
| 782 | E | A | -2.5351 | |
| 783 | I | A | -0.3025 | |
| 784 | T | A | 0.0000 | |
| 785 | I | A | 1.2380 | |
| 786 | L | A | 0.0000 | |
| 787 | T | A | 0.1132 | |
| 788 | G | A | 0.0000 | |
| 789 | S | A | -0.4809 | |
| 790 | G | A | -0.4908 | |
| 791 | E | A | -0.7108 | |
| 792 | L | A | 0.0000 | |
| 793 | D | A | -0.2203 | |
| 794 | L | A | 0.0000 | |
| 795 | S | A | 0.0000 | |
| 796 | N | A | -2.2749 | |
| 797 | N | A | 0.0000 | |
| 798 | C | A | -0.3472 | |
| 799 | L | A | 0.0000 | |
| 800 | G | A | -0.1681 | |
| 801 | D | A | -1.2945 | |
| 802 | A | A | -0.6345 | |
| 803 | G | A | 0.0000 | |
| 804 | I | A | 0.0000 | |
| 805 | L | A | -0.7833 | |
| 806 | Q | A | -1.3452 | |
| 807 | L | A | 0.0000 | |
| 808 | V | A | 0.0000 | |
| 809 | E | A | -2.5223 | |
| 810 | S | A | 0.0000 | |
| 811 | V | A | -1.3970 | |
| 812 | R | A | -2.8324 | |
| 813 | G | A | -1.3509 | |
| 814 | S | A | -0.4168 | |
| 815 | G | A | 0.0000 | |
| 816 | L | A | 0.0000 | |
| 817 | F | A | 0.0000 | |
| 818 | T | A | 0.6789 | |
| 819 | Y | A | 0.5326 | |
| 820 | L | A | 0.0000 | |
| 821 | R | A | -1.5738 | |
| 822 | F | A | 0.0000 | |
| 823 | D | A | -3.2363 | |
| 824 | A | A | 0.0000 | |
| 825 | E | A | -2.8949 | |
| 826 | I | A | -0.4723 | |
| 827 | T | A | 0.0000 | |
| 828 | I | A | 1.6641 | |
| 829 | L | A | 0.0000 | |
| 830 | T | A | 0.3959 | |
| 831 | G | A | 0.0000 | |
| 832 | S | A | -0.8995 | |
| 833 | G | A | -1.1299 | |
| 834 | Q | A | -1.1311 | |
| 835 | L | A | 0.0000 | |
| 836 | V | A | 0.0000 | |
| 837 | L | A | 0.0000 | |
| 838 | Y | A | -0.1680 | |
| 839 | D | A | -1.4200 | |
| 840 | I | A | 0.0000 | |
| 841 | Y | A | 0.6020 | |
| 842 | W | A | -0.5075 | |
| 843 | S | A | -1.8699 | |
| 844 | E | A | -3.4339 | |
| 845 | E | A | -3.8125 | |
| 846 | M | A | 0.0000 | |
| 847 | E | A | -3.2576 | |
| 848 | D | A | -3.9345 | |
| 849 | R | A | -3.3785 | |
| 850 | L | A | 0.0000 | |
| 851 | Q | A | -3.3772 | |
| 852 | A | A | -2.8055 | |
| 853 | L | A | 0.0000 | |
| 854 | E | A | -3.7683 | |
| 855 | K | A | -3.8223 | |
| 856 | D | A | -3.5151 | |
| 857 | G | A | -2.7003 | |
| 858 | S | A | -1.8869 | |
| 859 | G | A | -1.3717 | |
| 860 | L | A | 0.0041 | |
| 861 | F | A | 0.7023 | |
| 862 | T | A | 0.7937 | |
| 863 | Y | A | 0.7865 | |
| 864 | L | A | -0.1141 | |
| 865 | R | A | -1.8434 | |
| 866 | F | A | -1.9511 | |
| 867 | D | A | -3.0171 | |
| 868 | A | A | -2.5673 | |
| 869 | E | A | -2.4198 | |
| 870 | I | A | 0.0907 | |
| 871 | T | A | 0.6911 | |
| 872 | I | A | 2.0330 | |
| 873 | L | A | 1.5763 | |
| 874 | T | A | 0.4923 | |
| 875 | G | A | -0.3130 | |
| 876 | S | A | -1.6711 | |
| 877 | G | A | -2.4331 | |
| 878 | R | A | -2.6945 | |
| 879 | V | A | -1.1483 | |
| 880 | I | A | -0.0844 | |
| 881 | S | A | -0.1017 |
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, -0.4639 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 |
|||
| input | -0.4639 | View | CSV | PDB |
| model_9 | -0.4699 | View | CSV | PDB |
| model_3 | -0.4858 | View | CSV | PDB |
| model_4 | -0.5041 | View | CSV | PDB |
| model_1 | -0.5063 | View | CSV | PDB |
| model_5 | -0.5064 | View | CSV | PDB |
| CABS_average | -0.5083 | View | CSV | PDB |
| model_2 | -0.5105 | View | CSV | PDB |
| model_0 | -0.5111 | View | CSV | PDB |
| model_6 | -0.5115 | View | CSV | PDB |
| model_10 | -0.516 | View | CSV | PDB |
| model_8 | -0.5209 | View | CSV | PDB |
| model_7 | -0.5215 | View | CSV | PDB |
| model_11 | -0.5355 | 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