Project name: C30_E30_EF_D68_EF_DIRECT
Status: done
Started: 2026-07-21 10:56:48
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEALKLESCGVTSDNCRDLCGIVASPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELALGSNKLGDVGMAELCPGLLLFTYLRFDAEITILTTLWIWECGITAKGCGDLCRVLRALFTYLRFDAEITILTELSLAGNELGDEGARLLCETLLLFTYLRFDAEITILTSLWVKSCSFTAACCSHFSSVLAQLFTYLRFDAEITILTELQISNNRLEDAGVRELCQGLGLFTYLRFDAEITILTVLWLADCDVSDSSCSSLAATLLALFTYLRFDAEITILTELDLSNNCLGDAGILQLVESVRLFTYLRFDAEITILTQLVLYDIYWSEEMEDRLQALEKDLFTYLRFDAEITILTRVIS
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 (00:14:35)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:39:15)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:39:26)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:39:35)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:39:45)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:39:55)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:40:04)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:40:13)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:40:24)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:40:33)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:40:42)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:40:52)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:41:02)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:41:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:41:34)
[INFO] Main: Simulation completed successfully. (03:41:43)
|
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
- -5.0241
- Maximal score value
- 2.862
- Average score
- -0.4576
- Total score value
- -359.252
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 | -0.2860 | |
| 2 | L | A | -0.2232 | |
| 3 | D | A | -1.0758 | |
| 4 | I | A | 0.0000 | |
| 5 | Q | A | -1.5263 | |
| 6 | S | A | -1.6713 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.6218 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.7009 | |
| 11 | C | A | -2.5836 | |
| 12 | E | A | -3.0214 | |
| 13 | E | A | -3.0937 | |
| 14 | L | A | -2.6971 | |
| 15 | S | A | -2.5276 | |
| 16 | D | A | -2.6229 | |
| 17 | A | A | -2.2314 | |
| 18 | R | A | -3.2019 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.9886 | |
| 21 | E | A | -2.3323 | |
| 22 | L | A | -1.1465 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -0.6107 | |
| 25 | L | A | 0.7089 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.8629 | |
| 28 | P | A | 0.0000 | |
| 29 | P | A | -0.1263 | |
| 30 | L | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | H | A | -0.4353 | |
| 33 | Q | A | 0.5562 | |
| 34 | V | A | 2.1652 | |
| 35 | M | A | 2.3467 | |
| 36 | Y | A | 2.6216 | |
| 37 | V | A | 1.8386 | |
| 38 | P | A | 0.8707 | |
| 39 | P | A | 0.0924 | |
| 40 | G | A | -0.0876 | |
| 41 | G | A | 0.2175 | |
| 42 | P | A | 0.0000 | |
| 43 | I | A | 1.0805 | |
| 44 | P | A | -0.0514 | |
| 45 | K | A | -1.2729 | |
| 46 | S | A | -0.6106 | |
| 47 | Y | A | 0.3769 | |
| 48 | E | A | -0.5522 | |
| 49 | D | A | -1.1600 | |
| 50 | F | A | 1.0595 | |
| 51 | A | A | 0.0000 | |
| 52 | W | A | 0.1747 | |
| 53 | Q | A | -0.5522 | |
| 54 | T | A | 0.6659 | |
| 55 | S | A | 0.0000 | |
| 56 | T | A | 0.0000 | |
| 57 | N | A | 0.3939 | |
| 58 | P | A | 0.1947 | |
| 59 | S | A | 0.0000 | |
| 60 | V | A | 0.4754 | |
| 61 | F | A | 0.0000 | |
| 62 | W | A | -0.0169 | |
| 63 | T | A | 0.0000 | |
| 64 | E | A | -1.3137 | |
| 65 | V | A | 0.0000 | |
| 66 | R | A | -2.5817 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -2.7824 | |
| 69 | D | A | -2.9124 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.2793 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.7248 | |
| 74 | E | A | -1.7916 | |
| 75 | A | A | -1.5823 | |
| 76 | R | A | -2.2814 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.7558 | |
| 79 | D | A | -2.8581 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -2.1093 | |
| 82 | S | A | -2.1021 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | R | A | -2.1215 | |
| 86 | V | A | 0.0000 | |
| 87 | P | A | -0.4754 | |
| 88 | P | A | -0.1763 | |
| 89 | L | A | 0.5160 | |
| 90 | T | A | 0.0672 | |
| 91 | H | A | -0.4543 | |
| 92 | Q | A | -0.1220 | |
| 93 | V | A | 0.2492 | |
| 94 | M | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | V | A | 0.7388 | |
| 97 | P | A | -0.2641 | |
| 98 | P | A | -0.2435 | |
| 99 | G | A | -0.3081 | |
| 100 | G | A | 0.0559 | |
| 101 | P | A | 0.5887 | |
| 102 | I | A | 1.0066 | |
| 103 | P | A | 0.0668 | |
| 104 | K | A | -1.1566 | |
| 105 | S | A | -0.3943 | |
| 106 | Y | A | -0.0571 | |
| 107 | E | A | -0.6544 | |
| 108 | D | A | -0.0221 | |
| 109 | F | A | 0.1891 | |
| 110 | A | A | -0.0765 | |
| 111 | W | A | 0.7384 | |
| 112 | Q | A | 0.0000 | |
| 113 | T | A | 0.1696 | |
| 114 | S | A | 0.3515 | |
| 115 | T | A | 0.1127 | |
| 116 | N | A | 0.0000 | |
| 117 | P | A | -0.0367 | |
| 118 | S | A | 0.2246 | |
| 119 | V | A | 0.9726 | |
| 120 | F | A | 1.1280 | |
| 121 | W | A | 0.9292 | |
| 122 | T | A | 0.0000 | |
| 123 | E | A | -0.6505 | |
| 124 | E | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.3868 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -3.0741 | |
| 129 | S | A | 0.0000 | |
| 130 | N | A | -2.9429 | |
| 131 | E | A | -3.0618 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.7000 | |
| 134 | D | A | -0.2084 | |
| 135 | V | A | 0.5288 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.3455 | |
| 139 | C | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | -0.4296 | |
| 142 | Q | A | -1.5143 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | Q | A | -1.0138 | |
| 146 | P | A | 0.0000 | |
| 147 | P | A | -0.2172 | |
| 148 | L | A | -0.2550 | |
| 149 | T | A | 0.4080 | |
| 150 | H | A | 0.3814 | |
| 151 | Q | A | 0.0000 | |
| 152 | V | A | 1.7406 | |
| 153 | M | A | 1.2156 | |
| 154 | Y | A | 0.8519 | |
| 155 | V | A | 0.0000 | |
| 156 | P | A | -0.3117 | |
| 157 | P | A | -0.3102 | |
| 158 | G | A | -0.5662 | |
| 159 | G | A | 0.1180 | |
| 160 | P | A | 0.2353 | |
| 161 | I | A | 1.1139 | |
| 162 | P | A | -0.6067 | |
| 163 | K | A | -1.8270 | |
| 164 | S | A | -1.6265 | |
| 165 | Y | A | 0.0000 | |
| 166 | E | A | -1.6950 | |
| 167 | D | A | -2.5584 | |
| 168 | F | A | -1.4652 | |
| 169 | A | A | -1.0212 | |
| 170 | W | A | 0.0000 | |
| 171 | Q | A | -0.9089 | |
| 172 | T | A | -0.1798 | |
| 173 | S | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | N | A | 0.0000 | |
| 176 | P | A | -0.1518 | |
| 177 | S | A | 0.0000 | |
| 178 | V | A | 1.0618 | |
| 179 | F | A | 0.0000 | |
| 180 | W | A | 0.7974 | |
| 181 | T | A | 0.0000 | |
| 182 | E | A | -0.6404 | |
| 183 | K | A | -0.8123 | |
| 184 | L | A | -0.2889 | |
| 185 | S | A | -0.7526 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.2678 | |
| 188 | N | A | -1.2863 | |
| 189 | C | A | -0.3138 | |
| 190 | C | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.4893 | |
| 193 | G | A | -0.0493 | |
| 194 | A | A | 0.0777 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.0696 | |
| 198 | V | A | 0.0905 | |
| 199 | L | A | -0.1623 | |
| 200 | S | A | -0.3933 | |
| 201 | S | A | -0.6426 | |
| 202 | T | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | R | A | -0.9787 | |
| 205 | T | A | -0.4769 | |
| 206 | P | A | -0.3027 | |
| 207 | P | A | -0.2266 | |
| 208 | L | A | 0.1087 | |
| 209 | T | A | 0.0000 | |
| 210 | H | A | -0.6236 | |
| 211 | Q | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | M | A | 0.0000 | |
| 214 | Y | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | -0.5342 | |
| 217 | P | A | -0.4976 | |
| 218 | G | A | -0.6596 | |
| 219 | G | A | -0.5122 | |
| 220 | P | A | -0.2731 | |
| 221 | I | A | -0.2359 | |
| 222 | P | A | -0.9483 | |
| 223 | K | A | -1.4607 | |
| 224 | S | A | -1.6854 | |
| 225 | Y | A | 0.0000 | |
| 226 | E | A | -3.2621 | |
| 227 | D | A | -3.1322 | |
| 228 | F | A | 0.0000 | |
| 229 | A | A | -1.2963 | |
| 230 | W | A | 0.0000 | |
| 231 | Q | A | -1.0187 | |
| 232 | T | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | T | A | -0.4256 | |
| 235 | N | A | -0.5003 | |
| 236 | P | A | -0.1405 | |
| 237 | S | A | 0.2833 | |
| 238 | V | A | 1.0347 | |
| 239 | F | A | 0.8826 | |
| 240 | W | A | 0.7687 | |
| 241 | T | A | -0.1493 | |
| 242 | E | A | -0.7003 | |
| 243 | E | A | -1.0411 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -0.6580 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.4113 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4480 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | -0.3746 | |
| 253 | D | A | -0.8371 | |
| 254 | A | A | -0.4660 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.8842 | |
| 258 | L | A | -0.0259 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.1079 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | L | A | 0.0100 | |
| 265 | P | A | -0.1358 | |
| 266 | P | A | 0.1589 | |
| 267 | L | A | 0.5450 | |
| 268 | T | A | 0.0000 | |
| 269 | H | A | -0.4529 | |
| 270 | Q | A | 0.0000 | |
| 271 | V | A | 0.4308 | |
| 272 | M | A | 0.5897 | |
| 273 | Y | A | 0.1310 | |
| 274 | V | A | 0.0000 | |
| 275 | P | A | 0.0000 | |
| 276 | P | A | -1.1029 | |
| 277 | G | A | -1.3035 | |
| 278 | G | A | -0.5242 | |
| 279 | P | A | -1.0445 | |
| 280 | I | A | -0.2879 | |
| 281 | P | A | -0.7051 | |
| 282 | K | A | -2.1197 | |
| 283 | S | A | 0.0000 | |
| 284 | Y | A | -1.3194 | |
| 285 | E | A | -2.8746 | |
| 286 | D | A | -1.8556 | |
| 287 | F | A | 0.4985 | |
| 288 | A | A | -0.4181 | |
| 289 | W | A | 0.0000 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | S | A | 0.0011 | |
| 293 | T | A | 0.0000 | |
| 294 | N | A | -0.4672 | |
| 295 | P | A | -0.2005 | |
| 296 | S | A | 0.4586 | |
| 297 | V | A | 1.5397 | |
| 298 | F | A | 1.2839 | |
| 299 | W | A | 0.6349 | |
| 300 | T | A | -0.2430 | |
| 301 | E | A | -0.5630 | |
| 302 | K | A | -0.9545 | |
| 303 | L | A | -0.5247 | |
| 304 | Q | A | -0.5778 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.9031 | |
| 307 | Y | A | 0.0000 | |
| 308 | C | A | 0.4250 | |
| 309 | S | A | -0.7148 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -1.1972 | |
| 312 | A | A | -1.2488 | |
| 313 | A | A | -0.8320 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -1.9111 | |
| 317 | P | A | -1.2415 | |
| 318 | L | A | -0.7297 | |
| 319 | A | A | -1.3260 | |
| 320 | S | A | -1.2142 | |
| 321 | V | A | -0.5110 | |
| 322 | L | A | 0.0000 | |
| 323 | R | A | -2.0281 | |
| 324 | A | A | -1.0960 | |
| 325 | P | A | -0.4003 | |
| 326 | P | A | -0.0767 | |
| 327 | L | A | 0.2968 | |
| 328 | T | A | -0.3138 | |
| 329 | H | A | -0.5291 | |
| 330 | Q | A | -0.9957 | |
| 331 | V | A | 0.0000 | |
| 332 | M | A | 0.1551 | |
| 333 | Y | A | 0.6321 | |
| 334 | V | A | 0.7413 | |
| 335 | P | A | 0.4299 | |
| 336 | P | A | -0.0877 | |
| 337 | G | A | -0.5449 | |
| 338 | G | A | -0.2623 | |
| 339 | P | A | 0.0000 | |
| 340 | I | A | 1.3544 | |
| 341 | P | A | -0.4325 | |
| 342 | K | A | -1.6123 | |
| 343 | S | A | -1.4373 | |
| 344 | Y | A | -1.8969 | |
| 345 | E | A | -3.1569 | |
| 346 | D | A | -3.0677 | |
| 347 | F | A | -1.5569 | |
| 348 | A | A | -0.8531 | |
| 349 | W | A | 0.0000 | |
| 350 | Q | A | 0.0000 | |
| 351 | T | A | -0.0275 | |
| 352 | S | A | -0.2166 | |
| 353 | T | A | -0.3379 | |
| 354 | N | A | -0.5055 | |
| 355 | P | A | -0.0862 | |
| 356 | S | A | 0.5381 | |
| 357 | V | A | 1.4779 | |
| 358 | F | A | 1.2223 | |
| 359 | W | A | 0.9947 | |
| 360 | T | A | 0.0000 | |
| 361 | E | A | -0.5085 | |
| 362 | E | A | -0.6965 | |
| 363 | L | A | -0.2846 | |
| 364 | T | A | -0.5517 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | -1.5073 | |
| 367 | N | A | -2.1108 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.7116 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -2.2382 | |
| 372 | E | A | -2.3921 | |
| 373 | A | A | -1.3469 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -1.7136 | |
| 377 | V | A | -1.1551 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.0836 | |
| 381 | G | A | -1.8379 | |
| 382 | L | A | 0.0000 | |
| 383 | K | A | -1.6752 | |
| 384 | D | A | -0.9750 | |
| 385 | P | A | -0.0911 | |
| 386 | P | A | 0.2840 | |
| 387 | L | A | 0.6460 | |
| 388 | T | A | 0.0000 | |
| 389 | H | A | -0.0261 | |
| 390 | Q | A | 0.0000 | |
| 391 | V | A | 0.1324 | |
| 392 | M | A | 0.0000 | |
| 393 | Y | A | 0.3827 | |
| 394 | V | A | 0.0000 | |
| 395 | P | A | 0.0656 | |
| 396 | P | A | -0.2849 | |
| 397 | G | A | -0.2409 | |
| 398 | G | A | 0.0000 | |
| 399 | P | A | -0.3938 | |
| 400 | I | A | 0.4760 | |
| 401 | P | A | 0.0000 | |
| 402 | K | A | -2.0039 | |
| 403 | S | A | -1.6233 | |
| 404 | Y | A | -1.4761 | |
| 405 | E | A | -2.9997 | |
| 406 | D | A | -2.7023 | |
| 407 | F | A | -1.3093 | |
| 408 | A | A | -0.5997 | |
| 409 | W | A | 0.0000 | |
| 410 | Q | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | S | A | -0.1188 | |
| 413 | T | A | -0.3043 | |
| 414 | N | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | S | A | 0.0000 | |
| 417 | V | A | 1.7257 | |
| 418 | F | A | 0.0000 | |
| 419 | W | A | 1.5197 | |
| 420 | T | A | 0.0000 | |
| 421 | E | A | -0.5641 | |
| 422 | A | A | -0.5649 | |
| 423 | L | A | 0.0000 | |
| 424 | K | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -1.7616 | |
| 427 | S | A | -1.9355 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -2.3377 | |
| 430 | V | A | -2.0814 | |
| 431 | T | A | 0.0000 | |
| 432 | S | A | -1.5795 | |
| 433 | D | A | -2.0357 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.3514 | |
| 437 | D | A | 0.0000 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | 0.0000 | |
| 440 | G | A | -1.0898 | |
| 441 | I | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | A | A | 0.5678 | |
| 444 | S | A | 0.1808 | |
| 445 | P | A | 0.0000 | |
| 446 | P | A | 0.4501 | |
| 447 | L | A | 0.3400 | |
| 448 | T | A | 0.1019 | |
| 449 | H | A | -0.1904 | |
| 450 | Q | A | 0.0000 | |
| 451 | V | A | 0.0000 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 1.1572 | |
| 454 | V | A | 1.7214 | |
| 455 | P | A | 0.6155 | |
| 456 | P | A | 0.0426 | |
| 457 | G | A | -0.1639 | |
| 458 | G | A | 0.4370 | |
| 459 | P | A | 1.0366 | |
| 460 | I | A | 1.6742 | |
| 461 | P | A | 0.0000 | |
| 462 | K | A | -2.2043 | |
| 463 | S | A | -1.6805 | |
| 464 | Y | A | -0.5474 | |
| 465 | E | A | -2.3130 | |
| 466 | D | A | -2.4862 | |
| 467 | F | A | 0.0000 | |
| 468 | A | A | -0.2788 | |
| 469 | W | A | -0.5380 | |
| 470 | Q | A | -1.3610 | |
| 471 | T | A | -0.3282 | |
| 472 | S | A | -0.0594 | |
| 473 | T | A | -0.0027 | |
| 474 | N | A | -0.0683 | |
| 475 | P | A | -0.0191 | |
| 476 | S | A | 0.8915 | |
| 477 | V | A | 1.8217 | |
| 478 | F | A | 0.0000 | |
| 479 | W | A | 0.5509 | |
| 480 | T | A | 0.0000 | |
| 481 | E | A | -0.6855 | |
| 482 | E | A | -0.5748 | |
| 483 | L | A | 0.0053 | |
| 484 | A | A | 0.0779 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | 0.0000 | |
| 488 | N | A | -2.8423 | |
| 489 | K | A | -2.7018 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -1.5820 | |
| 492 | D | A | -1.1908 | |
| 493 | V | A | 0.1871 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.6057 | |
| 497 | E | A | -1.0160 | |
| 498 | L | A | -0.2808 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.0245 | |
| 501 | G | A | 0.3867 | |
| 502 | L | A | 0.9690 | |
| 503 | L | A | 1.7132 | |
| 504 | L | A | 1.9677 | |
| 505 | F | A | 0.0000 | |
| 506 | T | A | 1.4201 | |
| 507 | Y | A | 1.9413 | |
| 508 | L | A | 0.5752 | |
| 509 | R | A | -0.9364 | |
| 510 | F | A | -0.7348 | |
| 511 | D | A | -2.0966 | |
| 512 | A | A | -1.8795 | |
| 513 | E | A | -1.9120 | |
| 514 | I | A | 0.0000 | |
| 515 | T | A | -0.5619 | |
| 516 | I | A | 0.0000 | |
| 517 | L | A | -0.0982 | |
| 518 | T | A | -0.3018 | |
| 519 | T | A | 0.0000 | |
| 520 | L | A | 0.3422 | |
| 521 | W | A | 0.6662 | |
| 522 | I | A | 0.0000 | |
| 523 | W | A | -1.0921 | |
| 524 | E | A | -2.9070 | |
| 525 | C | A | 0.0000 | |
| 526 | G | A | -2.4414 | |
| 527 | I | A | 0.0000 | |
| 528 | T | A | -2.1604 | |
| 529 | A | A | -2.1628 | |
| 530 | K | A | -2.1265 | |
| 531 | G | A | 0.0000 | |
| 532 | C | A | 0.0000 | |
| 533 | G | A | -1.9087 | |
| 534 | D | A | -1.6567 | |
| 535 | L | A | 0.0000 | |
| 536 | C | A | 0.0000 | |
| 537 | R | A | -1.8939 | |
| 538 | V | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | R | A | -1.2464 | |
| 541 | A | A | -0.1584 | |
| 542 | L | A | 0.0000 | |
| 543 | F | A | 0.0000 | |
| 544 | T | A | -0.3145 | |
| 545 | Y | A | 0.0989 | |
| 546 | L | A | 0.0000 | |
| 547 | R | A | -1.7275 | |
| 548 | F | A | -0.8843 | |
| 549 | D | A | -2.4389 | |
| 550 | A | A | 0.0000 | |
| 551 | E | A | -2.8923 | |
| 552 | I | A | 0.0000 | |
| 553 | T | A | -0.6028 | |
| 554 | I | A | 0.0000 | |
| 555 | L | A | 0.0000 | |
| 556 | T | A | -0.1855 | |
| 557 | E | A | -0.1830 | |
| 558 | L | A | 0.0000 | |
| 559 | S | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | A | A | -1.0316 | |
| 562 | G | A | 0.0000 | |
| 563 | N | A | -2.8794 | |
| 564 | E | A | -2.9637 | |
| 565 | L | A | 0.0000 | |
| 566 | G | A | -2.0455 | |
| 567 | D | A | -2.1151 | |
| 568 | E | A | -2.7183 | |
| 569 | G | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | R | A | -2.0772 | |
| 572 | L | A | -1.4945 | |
| 573 | L | A | -0.6757 | |
| 574 | C | A | 0.0000 | |
| 575 | E | A | -0.9973 | |
| 576 | T | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | L | A | 0.9310 | |
| 579 | L | A | 0.4752 | |
| 580 | F | A | 0.0000 | |
| 581 | T | A | -0.0424 | |
| 582 | Y | A | 0.0000 | |
| 583 | L | A | -0.0122 | |
| 584 | R | A | -0.8481 | |
| 585 | F | A | -1.0180 | |
| 586 | D | A | -2.5189 | |
| 587 | A | A | 0.0000 | |
| 588 | E | A | -2.5916 | |
| 589 | I | A | 0.0000 | |
| 590 | T | A | -0.7831 | |
| 591 | I | A | 0.0000 | |
| 592 | L | A | 0.0000 | |
| 593 | T | A | -0.2454 | |
| 594 | S | A | -0.2444 | |
| 595 | L | A | 0.0000 | |
| 596 | W | A | 0.3248 | |
| 597 | V | A | 0.0625 | |
| 598 | K | A | -0.8351 | |
| 599 | S | A | -1.4658 | |
| 600 | C | A | 0.0000 | |
| 601 | S | A | -1.4489 | |
| 602 | F | A | 0.0000 | |
| 603 | T | A | -1.0413 | |
| 604 | A | A | -0.8485 | |
| 605 | A | A | -0.7988 | |
| 606 | C | A | 0.0000 | |
| 607 | C | A | 0.0000 | |
| 608 | S | A | -0.7894 | |
| 609 | H | A | -0.7435 | |
| 610 | F | A | 0.0000 | |
| 611 | S | A | 0.0000 | |
| 612 | S | A | -0.2245 | |
| 613 | V | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | A | A | 0.3485 | |
| 616 | Q | A | 0.1842 | |
| 617 | L | A | 0.0000 | |
| 618 | F | A | 0.0000 | |
| 619 | T | A | 0.6762 | |
| 620 | Y | A | 0.0000 | |
| 621 | L | A | -0.0607 | |
| 622 | R | A | -2.4085 | |
| 623 | F | A | 0.0000 | |
| 624 | D | A | -3.2631 | |
| 625 | A | A | -2.7337 | |
| 626 | E | A | -2.8403 | |
| 627 | I | A | 0.0000 | |
| 628 | T | A | -0.7032 | |
| 629 | I | A | 0.0000 | |
| 630 | L | A | 0.0000 | |
| 631 | T | A | 0.0000 | |
| 632 | E | A | -0.5327 | |
| 633 | L | A | 0.0000 | |
| 634 | Q | A | 0.0000 | |
| 635 | I | A | 0.0000 | |
| 636 | S | A | 0.0000 | |
| 637 | N | A | -1.8444 | |
| 638 | N | A | -1.8366 | |
| 639 | R | A | -2.2729 | |
| 640 | L | A | 0.0000 | |
| 641 | E | A | -1.7463 | |
| 642 | D | A | -1.7378 | |
| 643 | A | A | -0.9957 | |
| 644 | G | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | R | A | -1.5128 | |
| 647 | E | A | -1.3452 | |
| 648 | L | A | 0.0000 | |
| 649 | C | A | 0.0000 | |
| 650 | Q | A | -1.0368 | |
| 651 | G | A | 0.0000 | |
| 652 | L | A | 0.1777 | |
| 653 | G | A | 0.4791 | |
| 654 | L | A | 1.4341 | |
| 655 | F | A | 0.0000 | |
| 656 | T | A | 1.1046 | |
| 657 | Y | A | 0.0000 | |
| 658 | L | A | 2.1472 | |
| 659 | R | A | 0.0000 | |
| 660 | F | A | -0.5235 | |
| 661 | D | A | -2.5020 | |
| 662 | A | A | 0.0000 | |
| 663 | E | A | -3.5189 | |
| 664 | I | A | 0.0000 | |
| 665 | T | A | -0.8569 | |
| 666 | I | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | T | A | -0.2248 | |
| 669 | V | A | -0.1617 | |
| 670 | L | A | 0.0000 | |
| 671 | W | A | 0.2843 | |
| 672 | L | A | 0.0000 | |
| 673 | A | A | 0.0000 | |
| 674 | D | A | -2.5795 | |
| 675 | C | A | 0.0000 | |
| 676 | D | A | -2.4463 | |
| 677 | V | A | 0.0000 | |
| 678 | S | A | -1.7936 | |
| 679 | D | A | -2.2204 | |
| 680 | S | A | -1.3286 | |
| 681 | S | A | 0.0000 | |
| 682 | C | A | 0.0000 | |
| 683 | S | A | -0.6457 | |
| 684 | S | A | -0.6152 | |
| 685 | L | A | -0.1713 | |
| 686 | A | A | -0.0181 | |
| 687 | A | A | 0.2602 | |
| 688 | T | A | 0.2236 | |
| 689 | L | A | 0.0000 | |
| 690 | L | A | 1.0015 | |
| 691 | A | A | 0.7791 | |
| 692 | L | A | 0.0000 | |
| 693 | F | A | 0.0000 | |
| 694 | T | A | 0.7556 | |
| 695 | Y | A | 1.1473 | |
| 696 | L | A | 0.0000 | |
| 697 | R | A | -2.5764 | |
| 698 | F | A | -2.0389 | |
| 699 | D | A | -3.2112 | |
| 700 | A | A | 0.0000 | |
| 701 | E | A | -3.0698 | |
| 702 | I | A | 0.0000 | |
| 703 | T | A | -0.8390 | |
| 704 | I | A | 0.0000 | |
| 705 | L | A | 0.0000 | |
| 706 | T | A | -0.3693 | |
| 707 | E | A | -0.4510 | |
| 708 | L | A | 0.0000 | |
| 709 | D | A | 0.0000 | |
| 710 | L | A | 0.0000 | |
| 711 | S | A | 0.0000 | |
| 712 | N | A | -2.1492 | |
| 713 | N | A | -2.0948 | |
| 714 | C | A | -1.4546 | |
| 715 | L | A | 0.0000 | |
| 716 | G | A | -0.4916 | |
| 717 | D | A | -0.9514 | |
| 718 | A | A | -0.4297 | |
| 719 | G | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | L | A | -0.4044 | |
| 722 | Q | A | -1.0040 | |
| 723 | L | A | 0.0000 | |
| 724 | V | A | 0.0000 | |
| 725 | E | A | -2.1089 | |
| 726 | S | A | -0.6431 | |
| 727 | V | A | 0.0000 | |
| 728 | R | A | -1.2889 | |
| 729 | L | A | 0.6714 | |
| 730 | F | A | 0.0000 | |
| 731 | T | A | 0.0000 | |
| 732 | Y | A | 1.5235 | |
| 733 | L | A | 0.4452 | |
| 734 | R | A | -1.4367 | |
| 735 | F | A | -1.6342 | |
| 736 | D | A | -3.3472 | |
| 737 | A | A | -2.9202 | |
| 738 | E | A | -2.2118 | |
| 739 | I | A | 0.0000 | |
| 740 | T | A | -0.3847 | |
| 741 | I | A | 0.0000 | |
| 742 | L | A | 0.0000 | |
| 743 | T | A | -0.7129 | |
| 744 | Q | A | -0.5967 | |
| 745 | L | A | 0.0000 | |
| 746 | V | A | 0.5519 | |
| 747 | L | A | 0.0000 | |
| 748 | Y | A | -0.4662 | |
| 749 | D | A | -1.6982 | |
| 750 | I | A | 0.0000 | |
| 751 | Y | A | 0.3222 | |
| 752 | W | A | -0.5772 | |
| 753 | S | A | 0.0000 | |
| 754 | E | A | -3.9172 | |
| 755 | E | A | -4.4174 | |
| 756 | M | A | 0.0000 | |
| 757 | E | A | -4.5406 | |
| 758 | D | A | -5.0241 | |
| 759 | R | A | -4.7269 | |
| 760 | L | A | 0.0000 | |
| 761 | Q | A | -3.8758 | |
| 762 | A | A | -2.9037 | |
| 763 | L | A | 0.0000 | |
| 764 | E | A | -1.8280 | |
| 765 | K | A | -1.8127 | |
| 766 | D | A | -0.3648 | |
| 767 | L | A | 0.0000 | |
| 768 | F | A | 2.3884 | |
| 769 | T | A | 1.4045 | |
| 770 | Y | A | 2.3353 | |
| 771 | L | A | 2.8620 | |
| 772 | R | A | 1.7739 | |
| 773 | F | A | 1.9777 | |
| 774 | D | A | -0.3977 | |
| 775 | A | A | -0.9059 | |
| 776 | E | A | -1.1927 | |
| 777 | I | A | 0.0000 | |
| 778 | T | A | 0.0000 | |
| 779 | I | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | T | A | -0.9036 | |
| 782 | R | A | -1.4968 | |
| 783 | V | A | -0.1427 | |
| 784 | I | A | 1.3404 | |
| 785 | S | A | 0.6649 |
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, -0.4576 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_0 | -0.4576 | View | CSV | PDB |
| input | -0.4579 | View | CSV | PDB |
| model_10 | -0.472 | View | CSV | PDB |
| model_9 | -0.5077 | View | CSV | PDB |
| model_7 | -0.5085 | View | CSV | PDB |
| model_1 | -0.5145 | View | CSV | PDB |
| model_3 | -0.5171 | View | CSV | PDB |
| model_5 | -0.5175 | View | CSV | PDB |
| CABS_average | -0.5189 | View | CSV | PDB |
| model_4 | -0.5248 | View | CSV | PDB |
| model_8 | -0.5406 | View | CSV | PDB |
| model_6 | -0.5465 | View | CSV | PDB |
| model_11 | -0.5482 | View | CSV | PDB |
| model_2 | -0.572 | 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