Project name: C45_E30_EF_INTERFACE_SAT_corrected26
Status: done
Started: 2026-07-22 05:56:31
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEALKLESCGVTSDNCRDLCGIVASPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELALGSNKLGDVGMAELCPGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLNPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTERVIS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:16:15)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:20:29)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:20:38)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:20:47)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:20:56)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:21:04)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:21:13)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:21:22)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:21:30)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:21:39)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:21:48)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:21:56)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:22:06)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:22:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:22:34)
[INFO] Main: Simulation completed successfully. (04:22:43)
|
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
- -4.1451
- Maximal score value
- 3.0159
- Average score
- -0.3091
- Total score value
- -297.0644
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 | 0.1415 | |
| 2 | L | A | 0.6381 | |
| 3 | D | A | -1.1247 | |
| 4 | I | A | -0.2595 | |
| 5 | Q | A | -0.9913 | |
| 6 | S | A | -1.3294 | |
| 7 | L | A | -1.1945 | |
| 8 | D | A | -2.3472 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.2435 | |
| 11 | C | A | -1.2109 | |
| 12 | E | A | -2.1659 | |
| 13 | E | A | -2.9224 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -1.8565 | |
| 16 | D | A | -2.4635 | |
| 17 | A | A | -1.5478 | |
| 18 | R | A | -1.9153 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4050 | |
| 21 | E | A | -2.0508 | |
| 22 | L | A | -0.8838 | |
| 23 | L | A | -0.4771 | |
| 24 | P | A | -0.5562 | |
| 25 | L | A | -0.0663 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.4303 | |
| 28 | P | A | 0.1790 | |
| 29 | P | A | -0.0554 | |
| 30 | L | A | 1.0849 | |
| 31 | T | A | 0.1324 | |
| 32 | H | A | -0.8133 | |
| 33 | Q | A | -0.5331 | |
| 34 | V | A | 1.3825 | |
| 35 | M | A | 1.3753 | |
| 36 | Y | A | 1.7224 | |
| 37 | V | A | 1.4227 | |
| 38 | P | A | 0.3006 | |
| 39 | P | A | -0.3715 | |
| 40 | G | A | -0.3997 | |
| 41 | G | A | 0.1811 | |
| 42 | P | A | 0.3548 | |
| 43 | I | A | 1.2726 | |
| 44 | P | A | -0.3221 | |
| 45 | K | A | -1.6233 | |
| 46 | S | A | -1.1309 | |
| 47 | Y | A | -0.2741 | |
| 48 | E | A | -2.0045 | |
| 49 | D | A | -1.7815 | |
| 50 | F | A | 0.0102 | |
| 51 | A | A | 0.3050 | |
| 52 | W | A | 0.1562 | |
| 53 | Q | A | -0.0476 | |
| 54 | T | A | -0.6588 | |
| 55 | S | A | -0.8745 | |
| 56 | T | A | -0.9384 | |
| 57 | N | A | -1.3288 | |
| 58 | P | A | -0.0580 | |
| 59 | S | A | 1.0604 | |
| 60 | V | A | 2.8896 | |
| 61 | F | A | 2.8552 | |
| 62 | W | A | 1.1820 | |
| 63 | T | A | 0.0000 | |
| 64 | E | A | -1.6656 | |
| 65 | V | A | 0.0000 | |
| 66 | R | A | -1.9142 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | 0.0000 | |
| 69 | D | A | -2.5071 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -1.9304 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.4888 | |
| 74 | E | A | -1.8894 | |
| 75 | A | A | -1.0798 | |
| 76 | R | A | -1.5461 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.1537 | |
| 79 | D | A | -1.6308 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -1.0718 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | -0.8277 | |
| 85 | R | A | -1.3432 | |
| 86 | V | A | 0.2136 | |
| 87 | P | A | 0.1177 | |
| 88 | P | A | 0.5732 | |
| 89 | L | A | 1.5397 | |
| 90 | T | A | 0.2994 | |
| 91 | H | A | -0.1846 | |
| 92 | Q | A | -0.2002 | |
| 93 | V | A | 0.4637 | |
| 94 | M | A | 0.8577 | |
| 95 | Y | A | 1.4228 | |
| 96 | V | A | 1.2418 | |
| 97 | P | A | 0.2700 | |
| 98 | P | A | -0.3935 | |
| 99 | G | A | -0.4302 | |
| 100 | G | A | 0.0969 | |
| 101 | P | A | 0.1455 | |
| 102 | I | A | 1.2079 | |
| 103 | P | A | -0.4641 | |
| 104 | K | A | -1.6970 | |
| 105 | S | A | -1.2333 | |
| 106 | Y | A | -0.4049 | |
| 107 | E | A | -2.1756 | |
| 108 | D | A | -1.8999 | |
| 109 | F | A | -0.4327 | |
| 110 | A | A | 0.2680 | |
| 111 | W | A | 0.2776 | |
| 112 | Q | A | -0.0399 | |
| 113 | T | A | -0.4756 | |
| 114 | S | A | -0.7865 | |
| 115 | T | A | -0.8513 | |
| 116 | N | A | -0.9818 | |
| 117 | P | A | -0.0315 | |
| 118 | S | A | 1.2288 | |
| 119 | V | A | 3.0159 | |
| 120 | F | A | 2.4841 | |
| 121 | W | A | 1.4075 | |
| 122 | T | A | 0.0000 | |
| 123 | E | A | -1.5057 | |
| 124 | E | A | -1.6088 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.2544 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -1.9690 | |
| 129 | S | A | -1.6706 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.4896 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.4921 | |
| 134 | D | A | 0.1277 | |
| 135 | V | A | 0.9753 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.2465 | |
| 139 | C | A | -0.7031 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.5801 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | Q | A | -1.5865 | |
| 146 | P | A | -0.7492 | |
| 147 | P | A | -0.1230 | |
| 148 | L | A | 1.1314 | |
| 149 | T | A | 0.1899 | |
| 150 | H | A | -0.8421 | |
| 151 | Q | A | -0.4630 | |
| 152 | V | A | 0.2531 | |
| 153 | M | A | 0.8226 | |
| 154 | Y | A | 1.3218 | |
| 155 | V | A | 1.1761 | |
| 156 | P | A | 0.2657 | |
| 157 | P | A | -0.4181 | |
| 158 | G | A | -0.4258 | |
| 159 | G | A | 0.1060 | |
| 160 | P | A | 0.1470 | |
| 161 | I | A | 1.0308 | |
| 162 | P | A | -0.4539 | |
| 163 | K | A | -1.6882 | |
| 164 | S | A | -1.2259 | |
| 165 | Y | A | -0.3815 | |
| 166 | E | A | -2.1549 | |
| 167 | D | A | -2.0971 | |
| 168 | F | A | -0.3746 | |
| 169 | A | A | 0.2563 | |
| 170 | W | A | 0.0274 | |
| 171 | Q | A | -0.3541 | |
| 172 | T | A | -0.5833 | |
| 173 | S | A | 0.0000 | |
| 174 | T | A | -0.6938 | |
| 175 | N | A | -0.7839 | |
| 176 | P | A | 0.1482 | |
| 177 | S | A | 1.1196 | |
| 178 | V | A | 2.4004 | |
| 179 | F | A | 1.8072 | |
| 180 | W | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | E | A | -1.0967 | |
| 183 | K | A | -1.5893 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | -0.9046 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.2060 | |
| 188 | N | A | -1.5612 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.0333 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.5515 | |
| 193 | G | A | 0.1972 | |
| 194 | A | A | 0.4005 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.0502 | |
| 198 | V | A | 0.1915 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.6401 | |
| 202 | T | A | -0.8757 | |
| 203 | L | A | -0.7112 | |
| 204 | R | A | -1.5902 | |
| 205 | T | A | -0.8581 | |
| 206 | P | A | -0.2183 | |
| 207 | P | A | 0.3181 | |
| 208 | L | A | 1.2778 | |
| 209 | T | A | 0.1332 | |
| 210 | H | A | -0.8298 | |
| 211 | Q | A | -0.3314 | |
| 212 | V | A | 0.4922 | |
| 213 | M | A | 1.2174 | |
| 214 | Y | A | 1.6126 | |
| 215 | V | A | 1.3008 | |
| 216 | P | A | 0.3506 | |
| 217 | P | A | -0.3488 | |
| 218 | G | A | -0.4070 | |
| 219 | G | A | 0.1117 | |
| 220 | P | A | 0.2073 | |
| 221 | I | A | 1.2622 | |
| 222 | P | A | -0.3738 | |
| 223 | K | A | -1.6528 | |
| 224 | S | A | -1.1730 | |
| 225 | Y | A | -0.3175 | |
| 226 | E | A | -2.0668 | |
| 227 | D | A | -1.9254 | |
| 228 | F | A | -0.1609 | |
| 229 | A | A | 0.4451 | |
| 230 | W | A | 0.2563 | |
| 231 | Q | A | -0.0264 | |
| 232 | T | A | -0.5381 | |
| 233 | S | A | -0.5339 | |
| 234 | T | A | -0.6649 | |
| 235 | N | A | -0.7434 | |
| 236 | P | A | 0.0989 | |
| 237 | S | A | 1.0778 | |
| 238 | V | A | 2.5392 | |
| 239 | F | A | 1.8617 | |
| 240 | W | A | 1.0006 | |
| 241 | T | A | 0.0000 | |
| 242 | E | A | -0.7419 | |
| 243 | E | A | -1.1598 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -0.9641 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.5166 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.5025 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0847 | |
| 253 | D | A | -0.6612 | |
| 254 | A | A | -0.2394 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.8821 | |
| 258 | L | A | -0.0100 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.1681 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.0817 | |
| 264 | L | A | 0.5994 | |
| 265 | P | A | 0.5900 | |
| 266 | P | A | 0.5064 | |
| 267 | L | A | 1.5391 | |
| 268 | T | A | 0.1222 | |
| 269 | H | A | -0.9734 | |
| 270 | Q | A | -0.9328 | |
| 271 | V | A | 0.4128 | |
| 272 | M | A | 0.9571 | |
| 273 | Y | A | 1.8057 | |
| 274 | V | A | 1.2602 | |
| 275 | P | A | 0.3107 | |
| 276 | P | A | -0.4435 | |
| 277 | G | A | -0.4370 | |
| 278 | G | A | 0.1330 | |
| 279 | P | A | 0.1810 | |
| 280 | I | A | 1.2356 | |
| 281 | P | A | -0.5887 | |
| 282 | K | A | -1.6724 | |
| 283 | S | A | -1.1971 | |
| 284 | Y | A | -0.3586 | |
| 285 | E | A | -2.1690 | |
| 286 | D | A | -1.9576 | |
| 287 | F | A | -0.3596 | |
| 288 | A | A | 0.3559 | |
| 289 | W | A | 0.0274 | |
| 290 | Q | A | -0.2217 | |
| 291 | T | A | -0.8414 | |
| 292 | S | A | -0.6668 | |
| 293 | T | A | -0.7582 | |
| 294 | N | A | -1.0290 | |
| 295 | P | A | -0.1673 | |
| 296 | S | A | 0.6298 | |
| 297 | V | A | 1.7134 | |
| 298 | F | A | 1.5492 | |
| 299 | W | A | 0.8558 | |
| 300 | T | A | -0.2121 | |
| 301 | E | A | -0.7726 | |
| 302 | K | A | -1.1945 | |
| 303 | L | A | 0.0000 | |
| 304 | Q | A | -0.5762 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.3682 | |
| 307 | Y | A | 0.4520 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.1428 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9910 | |
| 312 | A | A | -1.2567 | |
| 313 | A | A | -0.6339 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.0410 | |
| 317 | P | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -0.9756 | |
| 321 | V | A | -0.3352 | |
| 322 | L | A | -0.7791 | |
| 323 | R | A | -1.7893 | |
| 324 | A | A | -0.3268 | |
| 325 | P | A | 0.1833 | |
| 326 | P | A | 0.8954 | |
| 327 | L | A | 1.4102 | |
| 328 | T | A | 0.1724 | |
| 329 | H | A | -0.9400 | |
| 330 | Q | A | -0.5166 | |
| 331 | V | A | 0.0000 | |
| 332 | M | A | 0.9767 | |
| 333 | Y | A | 1.5914 | |
| 334 | V | A | 1.2248 | |
| 335 | P | A | 0.3061 | |
| 336 | P | A | -0.4490 | |
| 337 | G | A | -0.4085 | |
| 338 | G | A | 0.0552 | |
| 339 | P | A | 0.1900 | |
| 340 | I | A | 1.0414 | |
| 341 | P | A | -0.6418 | |
| 342 | K | A | -2.0437 | |
| 343 | S | A | -1.4060 | |
| 344 | Y | A | -0.6129 | |
| 345 | E | A | -2.2149 | |
| 346 | D | A | -1.9621 | |
| 347 | F | A | -0.6058 | |
| 348 | A | A | 0.1774 | |
| 349 | W | A | -0.0845 | |
| 350 | Q | A | -0.2695 | |
| 351 | T | A | -0.6721 | |
| 352 | S | A | 0.0000 | |
| 353 | T | A | -0.8806 | |
| 354 | N | A | -1.2695 | |
| 355 | P | A | -0.4990 | |
| 356 | S | A | 0.2746 | |
| 357 | V | A | 1.2853 | |
| 358 | F | A | 1.1393 | |
| 359 | W | A | 0.5420 | |
| 360 | T | A | -0.3233 | |
| 361 | E | A | -0.7998 | |
| 362 | E | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -1.0207 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.2973 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -2.1957 | |
| 372 | E | A | -2.7727 | |
| 373 | A | A | -1.4382 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.4014 | |
| 377 | V | A | -1.2879 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.1080 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -1.2304 | |
| 383 | K | A | -2.0312 | |
| 384 | D | A | -2.2390 | |
| 385 | P | A | -0.6723 | |
| 386 | P | A | 0.0295 | |
| 387 | L | A | 1.0765 | |
| 388 | T | A | 0.1329 | |
| 389 | H | A | -0.8416 | |
| 390 | Q | A | -0.5806 | |
| 391 | V | A | 0.0000 | |
| 392 | M | A | 1.0052 | |
| 393 | Y | A | 1.5644 | |
| 394 | V | A | 1.1833 | |
| 395 | P | A | 0.2755 | |
| 396 | P | A | -0.4101 | |
| 397 | G | A | -0.4258 | |
| 398 | G | A | 0.1295 | |
| 399 | P | A | 0.1524 | |
| 400 | I | A | 0.9536 | |
| 401 | P | A | -0.9330 | |
| 402 | K | A | -2.1607 | |
| 403 | S | A | -1.4901 | |
| 404 | Y | A | -0.6662 | |
| 405 | E | A | -2.2298 | |
| 406 | D | A | -2.3639 | |
| 407 | F | A | -0.6138 | |
| 408 | A | A | 0.1840 | |
| 409 | W | A | -0.0163 | |
| 410 | Q | A | -0.1340 | |
| 411 | T | A | -0.6924 | |
| 412 | S | A | -0.7266 | |
| 413 | T | A | -0.9014 | |
| 414 | N | A | -1.3078 | |
| 415 | P | A | -0.5564 | |
| 416 | S | A | 0.1782 | |
| 417 | V | A | 1.0515 | |
| 418 | F | A | 1.0677 | |
| 419 | W | A | 0.5444 | |
| 420 | T | A | -0.4070 | |
| 421 | E | A | -1.1093 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | K | A | -0.4563 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.5819 | |
| 427 | S | A | -1.3504 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.9194 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.7551 | |
| 432 | S | A | -1.4580 | |
| 433 | D | A | -2.6801 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.5981 | |
| 437 | D | A | -2.0053 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.8408 | |
| 440 | G | A | -1.0138 | |
| 441 | I | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | A | A | -0.1382 | |
| 444 | S | A | -0.2645 | |
| 445 | P | A | 0.5606 | |
| 446 | P | A | 0.6794 | |
| 447 | L | A | 1.3068 | |
| 448 | T | A | 0.1012 | |
| 449 | H | A | -0.8799 | |
| 450 | Q | A | -0.4795 | |
| 451 | V | A | 0.0000 | |
| 452 | M | A | 1.0084 | |
| 453 | Y | A | 1.6398 | |
| 454 | V | A | 1.3552 | |
| 455 | P | A | 0.3848 | |
| 456 | P | A | -0.3508 | |
| 457 | G | A | -0.3639 | |
| 458 | G | A | 0.1985 | |
| 459 | P | A | 0.2064 | |
| 460 | I | A | 1.2426 | |
| 461 | P | A | -0.6249 | |
| 462 | K | A | -1.8911 | |
| 463 | S | A | -1.4171 | |
| 464 | Y | A | -0.4043 | |
| 465 | E | A | -2.1684 | |
| 466 | D | A | -2.1004 | |
| 467 | F | A | -0.5092 | |
| 468 | A | A | 0.2176 | |
| 469 | W | A | 0.0807 | |
| 470 | Q | A | 0.0270 | |
| 471 | T | A | -0.5143 | |
| 472 | S | A | -0.7425 | |
| 473 | T | A | -0.9657 | |
| 474 | N | A | -1.3645 | |
| 475 | P | A | -0.4633 | |
| 476 | S | A | 0.4397 | |
| 477 | V | A | 1.6534 | |
| 478 | F | A | 1.2875 | |
| 479 | W | A | 0.5794 | |
| 480 | T | A | 0.0000 | |
| 481 | E | A | -0.8427 | |
| 482 | E | A | -0.7414 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.3208 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.2732 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.9454 | |
| 492 | D | A | -0.4294 | |
| 493 | V | A | 0.5569 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.4390 | |
| 497 | E | A | -1.2058 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.7062 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | L | A | 0.3771 | |
| 504 | P | A | 0.9310 | |
| 505 | P | A | 0.9190 | |
| 506 | L | A | 1.4165 | |
| 507 | T | A | 0.1716 | |
| 508 | H | A | -0.8380 | |
| 509 | Q | A | -0.5090 | |
| 510 | V | A | 0.4483 | |
| 511 | M | A | 1.1655 | |
| 512 | Y | A | 1.6122 | |
| 513 | V | A | 1.2161 | |
| 514 | P | A | 0.2754 | |
| 515 | P | A | -0.4068 | |
| 516 | G | A | -0.4361 | |
| 517 | G | A | 0.1028 | |
| 518 | P | A | 0.1496 | |
| 519 | I | A | 1.1943 | |
| 520 | P | A | -0.6506 | |
| 521 | K | A | -1.7234 | |
| 522 | S | A | -1.2640 | |
| 523 | Y | A | -0.4273 | |
| 524 | E | A | -2.0632 | |
| 525 | D | A | -2.1780 | |
| 526 | F | A | -0.4770 | |
| 527 | A | A | 0.3008 | |
| 528 | W | A | 0.0395 | |
| 529 | Q | A | -0.0343 | |
| 530 | T | A | -0.6579 | |
| 531 | S | A | -0.7861 | |
| 532 | T | A | -0.9723 | |
| 533 | N | A | -1.3644 | |
| 534 | P | A | -0.2911 | |
| 535 | S | A | 0.7965 | |
| 536 | V | A | 2.1728 | |
| 537 | F | A | 1.7516 | |
| 538 | W | A | 0.0000 | |
| 539 | T | A | 0.0000 | |
| 540 | E | A | -0.7837 | |
| 541 | T | A | 0.0000 | |
| 542 | L | A | 0.0000 | |
| 543 | W | A | 0.0531 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.6779 | |
| 546 | E | A | -2.4377 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.9601 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.6378 | |
| 551 | A | A | -1.8137 | |
| 552 | K | A | -2.0692 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | 0.0000 | |
| 556 | D | A | -1.6594 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.2872 | |
| 560 | V | A | 0.0000 | |
| 561 | L | A | -0.7965 | |
| 562 | R | A | -1.6376 | |
| 563 | A | A | -0.6469 | |
| 564 | P | A | 0.0940 | |
| 565 | P | A | 0.9546 | |
| 566 | L | A | 1.3682 | |
| 567 | T | A | 0.1611 | |
| 568 | H | A | -0.7191 | |
| 569 | Q | A | -0.4231 | |
| 570 | V | A | 0.0000 | |
| 571 | M | A | 1.0056 | |
| 572 | Y | A | 1.5893 | |
| 573 | V | A | 1.1815 | |
| 574 | P | A | 0.2883 | |
| 575 | P | A | -0.4519 | |
| 576 | G | A | -0.3933 | |
| 577 | G | A | 0.1407 | |
| 578 | P | A | 0.1645 | |
| 579 | I | A | 0.9891 | |
| 580 | P | A | -0.7474 | |
| 581 | K | A | -1.9344 | |
| 582 | S | A | -1.4876 | |
| 583 | Y | A | -0.7171 | |
| 584 | E | A | -2.1498 | |
| 585 | D | A | -2.2430 | |
| 586 | F | A | -0.6500 | |
| 587 | A | A | 0.3211 | |
| 588 | W | A | 0.2831 | |
| 589 | Q | A | 0.0236 | |
| 590 | T | A | -0.3787 | |
| 591 | S | A | -0.7495 | |
| 592 | T | A | -0.8625 | |
| 593 | N | A | -1.0345 | |
| 594 | P | A | -0.0955 | |
| 595 | S | A | 1.0674 | |
| 596 | V | A | 2.6808 | |
| 597 | F | A | 2.0386 | |
| 598 | W | A | 1.0440 | |
| 599 | T | A | 0.0000 | |
| 600 | E | A | -1.1967 | |
| 601 | E | A | -0.8501 | |
| 602 | L | A | 0.0000 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.8215 | |
| 606 | G | A | -1.5585 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.5611 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4035 | |
| 611 | D | A | -1.5102 | |
| 612 | E | A | -1.8584 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.5660 | |
| 616 | L | A | -1.5486 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -1.6963 | |
| 620 | T | A | -1.0748 | |
| 621 | L | A | -0.0266 | |
| 622 | L | A | 0.3723 | |
| 623 | P | A | 0.6296 | |
| 624 | P | A | 0.5414 | |
| 625 | L | A | 1.2951 | |
| 626 | T | A | 0.0994 | |
| 627 | H | A | -0.7666 | |
| 628 | Q | A | -0.3820 | |
| 629 | V | A | 0.6100 | |
| 630 | M | A | 1.2738 | |
| 631 | Y | A | 1.5999 | |
| 632 | V | A | 1.2417 | |
| 633 | P | A | 0.2840 | |
| 634 | P | A | -0.4106 | |
| 635 | G | A | -0.4109 | |
| 636 | G | A | 0.1182 | |
| 637 | P | A | 0.1453 | |
| 638 | I | A | 0.9958 | |
| 639 | P | A | -0.7115 | |
| 640 | K | A | -1.9333 | |
| 641 | S | A | -1.4555 | |
| 642 | Y | A | -0.6414 | |
| 643 | E | A | -2.2280 | |
| 644 | D | A | -2.1943 | |
| 645 | F | A | -0.3181 | |
| 646 | A | A | 0.4199 | |
| 647 | W | A | 0.3023 | |
| 648 | Q | A | 0.0319 | |
| 649 | T | A | -0.4694 | |
| 650 | S | A | -0.6690 | |
| 651 | T | A | -0.7275 | |
| 652 | N | A | -0.9572 | |
| 653 | P | A | -0.2170 | |
| 654 | S | A | 0.6473 | |
| 655 | V | A | 1.8570 | |
| 656 | F | A | 1.6965 | |
| 657 | W | A | 0.9201 | |
| 658 | T | A | -0.3509 | |
| 659 | E | A | -0.8474 | |
| 660 | S | A | 0.0000 | |
| 661 | L | A | 0.0000 | |
| 662 | W | A | 0.2335 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -0.7587 | |
| 665 | S | A | -1.6765 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5483 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.1492 | |
| 670 | A | A | -1.1497 | |
| 671 | A | A | -0.8188 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.8934 | |
| 675 | H | A | -1.1398 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.8978 | |
| 678 | S | A | -0.7528 | |
| 679 | V | A | 0.0000 | |
| 680 | L | A | -0.0910 | |
| 681 | A | A | -0.3415 | |
| 682 | Q | A | 0.1138 | |
| 683 | P | A | 0.5265 | |
| 684 | P | A | 0.8693 | |
| 685 | L | A | 1.4085 | |
| 686 | T | A | 0.2027 | |
| 687 | H | A | -0.6470 | |
| 688 | Q | A | -0.2996 | |
| 689 | V | A | 0.0000 | |
| 690 | M | A | 1.1466 | |
| 691 | Y | A | 1.5278 | |
| 692 | V | A | 1.2796 | |
| 693 | P | A | 0.3779 | |
| 694 | P | A | -0.3589 | |
| 695 | G | A | -0.3997 | |
| 696 | G | A | 0.1207 | |
| 697 | P | A | 0.1384 | |
| 698 | I | A | 1.1900 | |
| 699 | P | A | -0.5349 | |
| 700 | K | A | -1.7543 | |
| 701 | S | A | -1.2917 | |
| 702 | Y | A | -0.4708 | |
| 703 | E | A | -2.3152 | |
| 704 | D | A | -2.2249 | |
| 705 | F | A | -0.6101 | |
| 706 | A | A | 0.3407 | |
| 707 | W | A | 0.1854 | |
| 708 | Q | A | 0.1478 | |
| 709 | T | A | -0.4026 | |
| 710 | S | A | -0.5747 | |
| 711 | T | A | -0.6831 | |
| 712 | N | A | -0.9254 | |
| 713 | P | A | -0.3428 | |
| 714 | S | A | 0.3003 | |
| 715 | V | A | 1.1938 | |
| 716 | F | A | 1.1688 | |
| 717 | W | A | 0.6301 | |
| 718 | T | A | 0.0000 | |
| 719 | E | A | -1.0123 | |
| 720 | E | A | -0.7746 | |
| 721 | L | A | 0.0000 | |
| 722 | Q | A | 0.0000 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.5570 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -3.1474 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.6171 | |
| 730 | D | A | -1.7886 | |
| 731 | A | A | -1.0148 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -1.7165 | |
| 735 | E | A | -1.8297 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.7970 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | -0.6004 | |
| 741 | Q | A | -0.7585 | |
| 742 | P | A | 0.0055 | |
| 743 | P | A | 0.5346 | |
| 744 | L | A | 1.2363 | |
| 745 | T | A | 0.1756 | |
| 746 | H | A | -0.7941 | |
| 747 | Q | A | -0.4331 | |
| 748 | V | A | 0.3910 | |
| 749 | M | A | 1.1190 | |
| 750 | Y | A | 1.4334 | |
| 751 | V | A | 1.1684 | |
| 752 | P | A | 0.2355 | |
| 753 | P | A | -0.5026 | |
| 754 | G | A | -0.4334 | |
| 755 | G | A | 0.0952 | |
| 756 | P | A | 0.1510 | |
| 757 | I | A | 1.0521 | |
| 758 | P | A | -0.5360 | |
| 759 | K | A | -2.0037 | |
| 760 | S | A | -1.3020 | |
| 761 | Y | A | -0.4573 | |
| 762 | E | A | -2.1840 | |
| 763 | D | A | -1.6329 | |
| 764 | F | A | -0.1433 | |
| 765 | A | A | 0.5347 | |
| 766 | W | A | 0.1974 | |
| 767 | Q | A | -0.0574 | |
| 768 | T | A | -0.6870 | |
| 769 | S | A | 0.0000 | |
| 770 | T | A | -0.7239 | |
| 771 | N | A | -1.0010 | |
| 772 | P | A | -0.4394 | |
| 773 | S | A | 0.1552 | |
| 774 | V | A | 0.9283 | |
| 775 | F | A | 0.8681 | |
| 776 | W | A | 0.3731 | |
| 777 | T | A | 0.0000 | |
| 778 | E | A | -1.1157 | |
| 779 | V | A | -0.7262 | |
| 780 | L | A | 0.0000 | |
| 781 | W | A | 0.0306 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | -1.4923 | |
| 784 | D | A | -3.1105 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -2.7485 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.7289 | |
| 789 | D | A | -0.8877 | |
| 790 | S | A | -0.8575 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.5214 | |
| 794 | S | A | -0.6961 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | -0.2506 | |
| 798 | T | A | 0.0000 | |
| 799 | L | A | 0.0092 | |
| 800 | L | A | -0.0299 | |
| 801 | N | A | -0.5660 | |
| 802 | P | A | -0.0542 | |
| 803 | P | A | 0.5104 | |
| 804 | L | A | 1.2660 | |
| 805 | T | A | 0.4380 | |
| 806 | H | A | -0.2957 | |
| 807 | Q | A | -0.0880 | |
| 808 | V | A | 0.6380 | |
| 809 | M | A | 1.2075 | |
| 810 | Y | A | 1.5281 | |
| 811 | V | A | 1.2823 | |
| 812 | P | A | 0.3454 | |
| 813 | P | A | -0.4095 | |
| 814 | G | A | -0.3782 | |
| 815 | G | A | 0.1699 | |
| 816 | P | A | 0.1523 | |
| 817 | I | A | 1.0324 | |
| 818 | P | A | -0.8502 | |
| 819 | K | A | -2.0603 | |
| 820 | S | A | -1.4478 | |
| 821 | Y | A | -0.4454 | |
| 822 | E | A | -2.2219 | |
| 823 | D | A | -1.9462 | |
| 824 | F | A | -0.4729 | |
| 825 | A | A | 0.4282 | |
| 826 | W | A | 0.3795 | |
| 827 | Q | A | 0.0545 | |
| 828 | T | A | -0.5908 | |
| 829 | S | A | -0.6263 | |
| 830 | T | A | -0.7722 | |
| 831 | N | A | -1.1012 | |
| 832 | P | A | -0.4803 | |
| 833 | S | A | 0.1558 | |
| 834 | V | A | 0.9371 | |
| 835 | F | A | 0.6818 | |
| 836 | W | A | 0.1187 | |
| 837 | T | A | 0.0000 | |
| 838 | E | A | -2.1698 | |
| 839 | E | A | -1.3035 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -2.1324 | |
| 845 | N | A | 0.0000 | |
| 846 | C | A | -0.2954 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.1130 | |
| 849 | D | A | -1.1992 | |
| 850 | A | A | -0.5587 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.4354 | |
| 854 | Q | A | -0.7285 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | 0.0000 | |
| 857 | E | A | -0.9902 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | -0.5385 | |
| 860 | R | A | -1.1820 | |
| 861 | P | A | -0.1236 | |
| 862 | P | A | 0.1577 | |
| 863 | L | A | 0.8453 | |
| 864 | T | A | -0.0258 | |
| 865 | H | A | -0.6683 | |
| 866 | Q | A | -0.5173 | |
| 867 | V | A | 0.3980 | |
| 868 | M | A | 0.6509 | |
| 869 | Y | A | 1.4688 | |
| 870 | V | A | 1.1998 | |
| 871 | P | A | 0.2459 | |
| 872 | P | A | -0.4608 | |
| 873 | G | A | -0.4280 | |
| 874 | G | A | 0.1313 | |
| 875 | P | A | 0.1592 | |
| 876 | I | A | 1.0741 | |
| 877 | P | A | -0.3122 | |
| 878 | K | A | -1.6023 | |
| 879 | S | A | -1.1018 | |
| 880 | Y | A | -0.2268 | |
| 881 | E | A | -1.9645 | |
| 882 | D | A | -1.7370 | |
| 883 | F | A | 0.0491 | |
| 884 | A | A | 0.5484 | |
| 885 | W | A | -0.0814 | |
| 886 | Q | A | -0.5147 | |
| 887 | T | A | -0.7083 | |
| 888 | S | A | -0.8365 | |
| 889 | T | A | -0.9766 | |
| 890 | N | A | -1.0914 | |
| 891 | P | A | -0.1970 | |
| 892 | S | A | 0.8321 | |
| 893 | V | A | 1.8458 | |
| 894 | F | A | 1.4590 | |
| 895 | W | A | 0.5112 | |
| 896 | T | A | 0.0000 | |
| 897 | E | A | -1.8716 | |
| 898 | Q | A | -1.8351 | |
| 899 | L | A | 0.0000 | |
| 900 | V | A | 0.0000 | |
| 901 | L | A | 0.0000 | |
| 902 | Y | A | -0.2670 | |
| 903 | D | A | -1.5943 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.6162 | |
| 906 | W | A | -0.4882 | |
| 907 | S | A | -1.7799 | |
| 908 | E | A | -3.4839 | |
| 909 | E | A | -3.8770 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.3896 | |
| 912 | D | A | -4.0282 | |
| 913 | R | A | -3.4051 | |
| 914 | L | A | 0.0000 | |
| 915 | Q | A | -3.3423 | |
| 916 | A | A | -2.8175 | |
| 917 | L | A | -2.6380 | |
| 918 | E | A | -4.1451 | |
| 919 | K | A | -3.8646 | |
| 920 | D | A | -2.9739 | |
| 921 | P | A | -1.8823 | |
| 922 | P | A | -0.5614 | |
| 923 | L | A | 0.7726 | |
| 924 | T | A | 0.2607 | |
| 925 | H | A | -0.7985 | |
| 926 | Q | A | -0.9285 | |
| 927 | V | A | 0.3819 | |
| 928 | M | A | 1.1572 | |
| 929 | Y | A | 1.3192 | |
| 930 | V | A | 1.3477 | |
| 931 | P | A | 0.3241 | |
| 932 | P | A | -0.3645 | |
| 933 | G | A | -0.4119 | |
| 934 | G | A | 0.1459 | |
| 935 | P | A | 0.1732 | |
| 936 | I | A | 1.3694 | |
| 937 | P | A | -0.1385 | |
| 938 | K | A | -1.4923 | |
| 939 | S | A | -0.9054 | |
| 940 | Y | A | -0.0308 | |
| 941 | E | A | -1.7437 | |
| 942 | D | A | -1.3382 | |
| 943 | F | A | 0.9306 | |
| 944 | A | A | 0.7523 | |
| 945 | W | A | 1.0382 | |
| 946 | Q | A | 0.1411 | |
| 947 | T | A | -0.5504 | |
| 948 | S | A | -0.7702 | |
| 949 | T | A | -1.0470 | |
| 950 | N | A | -1.4371 | |
| 951 | P | A | -0.5313 | |
| 952 | S | A | 0.7969 | |
| 953 | V | A | 2.6195 | |
| 954 | F | A | 2.5361 | |
| 955 | W | A | 0.5904 | |
| 956 | T | A | -1.7402 | |
| 957 | E | A | -3.0255 | |
| 958 | R | A | -3.0520 | |
| 959 | V | A | -1.5209 | |
| 960 | I | A | -0.3196 | |
| 961 | S | A | -0.2360 |
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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, -0.3091 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 | -0.3091 | View | CSV | PDB |
| model_3 | -0.459 | View | CSV | PDB |
| model_9 | -0.4739 | View | CSV | PDB |
| model_7 | -0.4754 | View | CSV | PDB |
| model_8 | -0.4887 | View | CSV | PDB |
| model_6 | -0.4905 | View | CSV | PDB |
| model_5 | -0.4929 | View | CSV | PDB |
| CABS_average | -0.4998 | View | CSV | PDB |
| model_11 | -0.5047 | View | CSV | PDB |
| model_1 | -0.5075 | View | CSV | PDB |
| model_4 | -0.5084 | View | CSV | PDB |
| model_10 | -0.5247 | View | CSV | PDB |
| model_2 | -0.5353 | View | CSV | PDB |
| model_0 | -0.5364 | 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