Project name: C29_E18_EF_D68_EF_DIRECT
Status: done
Started: 2026-07-21 10:56:36
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVRLDDCGLTEARCKDISSALRVPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELNLRSNELGDVGVHCVLQGLQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEKLSLQNCCLTGAGCGVLSSTLRTPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELHLSDNLLGDAGLQLLCEGLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEKLQLEYCSLSAASCEPLASVLRAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELTVSNNDINEAGVRVLCQGLKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEALKLESCGVTSDNCRDLCGIVASPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELALGSNKLGDVGMAELCPGLLLFTYLRFDAEITILTTLWIWECGITAKGCGDLCRVLRALFTYLRFDAEITILTELSLAGNELGDEGARLLCETLLLFTYLRFDAEITILTSLWVKSCSFTAACCSHFSSVLAQLFTYLRFDAEITILTELQISNNRLEDAGVRELCQGLGLFTYLRFDAEITILTVLWLADCDVSDSSCSSLAATLLALFTYLRFDAEITILTELDLSNNCLGDAGILQLVESVRLFTYLRFDAEITILTQLVLYDIYWSEEMEDRLQALEKDLFTYLRFDAEITILTRVIS
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 (00:16:11)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:37:24)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:37:34)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:37:44)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:37:55)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:38:04)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:38:14)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:38:23)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:38:33)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:38:42)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:38:52)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:39:01)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:39:11)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:39:20)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:39:44)
[INFO] Main: Simulation completed successfully. (03:39:55)
|
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
- -4.0083
- Maximal score value
- 2.6047
- Average score
- -0.3184
- Total score value
- -249.956
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 | 0.1359 | |
| 2 | L | A | 0.7176 | |
| 3 | D | A | -0.8616 | |
| 4 | I | A | -0.2190 | |
| 5 | Q | A | -1.0404 | |
| 6 | S | A | -1.1194 | |
| 7 | L | A | -0.9172 | |
| 8 | D | A | -2.2456 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.4461 | |
| 11 | C | A | -1.4281 | |
| 12 | E | A | -2.4937 | |
| 13 | E | A | -3.0882 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -1.8583 | |
| 16 | D | A | -2.4672 | |
| 17 | A | A | -1.5463 | |
| 18 | R | A | -1.9387 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4355 | |
| 21 | E | A | -2.0558 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.5166 | |
| 24 | P | A | -0.0697 | |
| 25 | L | A | 0.5812 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | 0.1704 | |
| 28 | P | A | 1.0432 | |
| 29 | V | A | 2.0405 | |
| 30 | L | A | 1.7763 | |
| 31 | T | A | 0.4939 | |
| 32 | H | A | -0.2494 | |
| 33 | Q | A | -0.0707 | |
| 34 | I | A | 1.4947 | |
| 35 | M | A | 1.7601 | |
| 36 | Y | A | 1.4213 | |
| 37 | V | A | 1.2894 | |
| 38 | P | A | 0.2579 | |
| 39 | P | A | -0.4213 | |
| 40 | G | A | -0.4062 | |
| 41 | G | A | 0.1801 | |
| 42 | P | A | 0.5253 | |
| 43 | I | A | 1.7185 | |
| 44 | P | A | 0.4970 | |
| 45 | A | A | -0.2056 | |
| 46 | K | A | -1.0073 | |
| 47 | V | A | 0.3197 | |
| 48 | D | A | -1.3723 | |
| 49 | S | A | -0.5309 | |
| 50 | Y | A | 0.4747 | |
| 51 | E | A | -0.7397 | |
| 52 | W | A | 0.8174 | |
| 53 | Q | A | 0.8348 | |
| 54 | T | A | 0.7441 | |
| 55 | S | A | 0.1205 | |
| 56 | T | A | -0.7468 | |
| 57 | N | A | -1.2096 | |
| 58 | P | A | -0.6156 | |
| 59 | S | A | 0.1616 | |
| 60 | V | A | 1.0224 | |
| 61 | F | A | 1.4026 | |
| 62 | W | A | 0.8616 | |
| 63 | T | A | -0.1027 | |
| 64 | E | A | -1.0135 | |
| 65 | V | A | 0.0000 | |
| 66 | R | A | -1.8632 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | 0.0000 | |
| 69 | D | A | -2.8381 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.0430 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.2365 | |
| 74 | E | A | -1.3713 | |
| 75 | A | A | -0.8304 | |
| 76 | R | A | -1.4596 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.2203 | |
| 79 | D | A | -1.6835 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -1.4004 | |
| 82 | S | A | -1.3075 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | -0.8639 | |
| 85 | R | A | -0.6175 | |
| 86 | V | A | 1.0150 | |
| 87 | P | A | 1.6377 | |
| 88 | V | A | 2.6047 | |
| 89 | L | A | 2.3169 | |
| 90 | T | A | 0.6806 | |
| 91 | H | A | 0.0647 | |
| 92 | Q | A | 0.3699 | |
| 93 | I | A | 0.9241 | |
| 94 | M | A | 0.7536 | |
| 95 | Y | A | 0.5660 | |
| 96 | V | A | 0.2351 | |
| 97 | P | A | -0.1448 | |
| 98 | P | A | -0.5364 | |
| 99 | G | A | -0.6287 | |
| 100 | G | A | -0.3205 | |
| 101 | P | A | -0.0783 | |
| 102 | I | A | 0.2975 | |
| 103 | P | A | -0.2352 | |
| 104 | A | A | -0.5783 | |
| 105 | K | A | -1.2265 | |
| 106 | V | A | 0.2728 | |
| 107 | D | A | -0.9858 | |
| 108 | S | A | -0.2261 | |
| 109 | Y | A | 0.2045 | |
| 110 | E | A | 0.0741 | |
| 111 | W | A | 0.6551 | |
| 112 | Q | A | 0.5917 | |
| 113 | T | A | 0.5062 | |
| 114 | S | A | -0.0903 | |
| 115 | T | A | -0.5981 | |
| 116 | N | A | -1.2929 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | -0.1609 | |
| 119 | V | A | 0.0000 | |
| 120 | F | A | 1.0167 | |
| 121 | W | A | 0.7651 | |
| 122 | T | A | 0.0436 | |
| 123 | E | A | -0.6191 | |
| 124 | E | A | -0.8979 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.3839 | |
| 129 | S | A | -2.0392 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.6015 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.5331 | |
| 134 | D | A | 0.0740 | |
| 135 | V | A | 1.0752 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.3226 | |
| 139 | C | A | -0.7003 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.1725 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.1357 | |
| 145 | Q | A | -0.1211 | |
| 146 | P | A | 1.1180 | |
| 147 | V | A | 2.5154 | |
| 148 | L | A | 2.4603 | |
| 149 | T | A | 1.1746 | |
| 150 | H | A | 0.1211 | |
| 151 | Q | A | -0.1237 | |
| 152 | I | A | 0.9602 | |
| 153 | M | A | 0.8615 | |
| 154 | Y | A | 0.7582 | |
| 155 | V | A | 0.5906 | |
| 156 | P | A | 0.1216 | |
| 157 | P | A | -0.4795 | |
| 158 | G | A | -0.4270 | |
| 159 | G | A | 0.0735 | |
| 160 | P | A | 0.5432 | |
| 161 | I | A | 1.4589 | |
| 162 | P | A | 0.3525 | |
| 163 | A | A | -0.2754 | |
| 164 | K | A | -1.1339 | |
| 165 | V | A | 0.0269 | |
| 166 | D | A | -1.6553 | |
| 167 | S | A | -0.4758 | |
| 168 | Y | A | -0.2284 | |
| 169 | E | A | -0.0605 | |
| 170 | W | A | 0.7114 | |
| 171 | Q | A | 0.0000 | |
| 172 | T | A | 0.4764 | |
| 173 | S | A | -0.0278 | |
| 174 | T | A | -0.5474 | |
| 175 | N | A | -1.0039 | |
| 176 | P | A | -0.4078 | |
| 177 | S | A | -0.0550 | |
| 178 | V | A | 0.5734 | |
| 179 | F | A | 0.6288 | |
| 180 | W | A | 0.4256 | |
| 181 | T | A | -0.1960 | |
| 182 | E | A | -1.0181 | |
| 183 | K | A | -1.2904 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | -0.9694 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.7033 | |
| 188 | N | A | -2.0135 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.6402 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.4529 | |
| 193 | G | A | 0.1634 | |
| 194 | A | A | 0.3494 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.1556 | |
| 198 | V | A | 0.0845 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.3630 | |
| 202 | T | A | -0.4705 | |
| 203 | L | A | -0.1814 | |
| 204 | R | A | -0.1617 | |
| 205 | T | A | 1.0340 | |
| 206 | P | A | 1.3424 | |
| 207 | V | A | 2.4109 | |
| 208 | L | A | 2.1030 | |
| 209 | T | A | 1.1020 | |
| 210 | H | A | 0.3795 | |
| 211 | Q | A | 0.5514 | |
| 212 | I | A | 0.7694 | |
| 213 | M | A | 0.7077 | |
| 214 | Y | A | 0.9025 | |
| 215 | V | A | 0.4367 | |
| 216 | P | A | 0.0208 | |
| 217 | P | A | -0.5769 | |
| 218 | G | A | -0.5062 | |
| 219 | G | A | -0.0919 | |
| 220 | P | A | 0.3273 | |
| 221 | I | A | 1.0824 | |
| 222 | P | A | 0.0000 | |
| 223 | A | A | -0.3576 | |
| 224 | K | A | -1.1276 | |
| 225 | V | A | 0.1314 | |
| 226 | D | A | -1.2681 | |
| 227 | S | A | -0.2647 | |
| 228 | Y | A | 0.0361 | |
| 229 | E | A | 0.2273 | |
| 230 | W | A | 0.8543 | |
| 231 | Q | A | 0.0000 | |
| 232 | T | A | 0.4077 | |
| 233 | S | A | 0.0138 | |
| 234 | T | A | -0.4278 | |
| 235 | N | A | -0.6962 | |
| 236 | P | A | -0.3495 | |
| 237 | S | A | 0.0723 | |
| 238 | V | A | 0.7209 | |
| 239 | F | A | 0.7100 | |
| 240 | W | A | 0.4356 | |
| 241 | T | A | 0.0000 | |
| 242 | E | A | -1.0267 | |
| 243 | E | A | -1.1950 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -1.0087 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.7373 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.3854 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0727 | |
| 253 | D | A | -0.5148 | |
| 254 | A | A | -0.2851 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.9265 | |
| 258 | L | A | -0.0180 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -0.6802 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.4088 | |
| 264 | L | A | 0.7942 | |
| 265 | P | A | 1.3152 | |
| 266 | V | A | 2.4231 | |
| 267 | L | A | 2.0196 | |
| 268 | T | A | 1.1353 | |
| 269 | H | A | -0.0288 | |
| 270 | Q | A | -0.4770 | |
| 271 | I | A | 0.1251 | |
| 272 | M | A | 0.4634 | |
| 273 | Y | A | 0.7030 | |
| 274 | V | A | 0.4784 | |
| 275 | P | A | 0.0536 | |
| 276 | P | A | -0.5663 | |
| 277 | G | A | -0.4740 | |
| 278 | G | A | 0.0097 | |
| 279 | P | A | 0.2913 | |
| 280 | I | A | 1.0441 | |
| 281 | P | A | 0.0000 | |
| 282 | A | A | -0.3587 | |
| 283 | K | A | -1.1869 | |
| 284 | V | A | -0.0356 | |
| 285 | D | A | -1.7646 | |
| 286 | S | A | -0.7367 | |
| 287 | Y | A | -0.6449 | |
| 288 | E | A | -0.8269 | |
| 289 | W | A | 0.3015 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.3020 | |
| 292 | S | A | -0.0901 | |
| 293 | T | A | -0.4436 | |
| 294 | N | A | -0.7939 | |
| 295 | P | A | -0.3336 | |
| 296 | S | A | 0.0474 | |
| 297 | V | A | 0.6413 | |
| 298 | F | A | 0.8413 | |
| 299 | W | A | 0.4832 | |
| 300 | T | A | -0.2721 | |
| 301 | E | A | -0.9716 | |
| 302 | K | A | -1.1694 | |
| 303 | L | A | 0.0000 | |
| 304 | Q | A | -0.6205 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.3657 | |
| 307 | Y | A | 0.5573 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.0985 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -1.0122 | |
| 312 | A | A | -1.2103 | |
| 313 | A | A | -0.6522 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.0485 | |
| 317 | P | A | -1.1081 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -0.4955 | |
| 321 | V | A | -0.0272 | |
| 322 | L | A | -0.1462 | |
| 323 | R | A | -0.0986 | |
| 324 | A | A | 0.8738 | |
| 325 | P | A | 1.3665 | |
| 326 | V | A | 2.2213 | |
| 327 | L | A | 1.5904 | |
| 328 | T | A | 0.5316 | |
| 329 | H | A | -0.0776 | |
| 330 | Q | A | 0.1961 | |
| 331 | I | A | 0.3044 | |
| 332 | M | A | 0.5103 | |
| 333 | Y | A | 0.6154 | |
| 334 | V | A | 0.4442 | |
| 335 | P | A | 0.0082 | |
| 336 | P | A | -0.4867 | |
| 337 | G | A | -0.4947 | |
| 338 | G | A | -0.0469 | |
| 339 | P | A | 0.2738 | |
| 340 | I | A | 0.8514 | |
| 341 | P | A | 0.0000 | |
| 342 | A | A | -0.5059 | |
| 343 | K | A | -1.3817 | |
| 344 | V | A | -0.2068 | |
| 345 | D | A | -1.4030 | |
| 346 | S | A | -0.6715 | |
| 347 | Y | A | -0.3137 | |
| 348 | E | A | 0.1536 | |
| 349 | W | A | 0.8292 | |
| 350 | Q | A | 0.0000 | |
| 351 | T | A | 0.4158 | |
| 352 | S | A | -0.1397 | |
| 353 | T | A | -0.5132 | |
| 354 | N | A | -0.8810 | |
| 355 | P | A | 0.0000 | |
| 356 | S | A | 0.0890 | |
| 357 | V | A | 0.5086 | |
| 358 | F | A | 0.6679 | |
| 359 | W | A | 0.3077 | |
| 360 | T | A | -0.2908 | |
| 361 | E | A | -0.9193 | |
| 362 | E | A | -0.9329 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.6543 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.1439 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.9579 | |
| 372 | E | A | -2.2390 | |
| 373 | A | A | -1.2640 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.6776 | |
| 377 | V | A | -1.4387 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -1.9583 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | K | A | -0.9520 | |
| 384 | D | A | -0.2649 | |
| 385 | P | A | 0.4152 | |
| 386 | V | A | 1.6221 | |
| 387 | L | A | 1.4049 | |
| 388 | T | A | 1.0416 | |
| 389 | H | A | 0.4249 | |
| 390 | Q | A | 0.0521 | |
| 391 | I | A | 0.2089 | |
| 392 | M | A | 0.7079 | |
| 393 | Y | A | 0.6866 | |
| 394 | V | A | 0.8106 | |
| 395 | P | A | 0.1834 | |
| 396 | P | A | -0.4536 | |
| 397 | G | A | -0.3866 | |
| 398 | G | A | 0.1386 | |
| 399 | P | A | 0.5816 | |
| 400 | I | A | 1.5010 | |
| 401 | P | A | 0.3724 | |
| 402 | A | A | -0.2526 | |
| 403 | K | A | -1.1275 | |
| 404 | V | A | -0.1046 | |
| 405 | D | A | -1.4711 | |
| 406 | S | A | -0.4748 | |
| 407 | Y | A | -0.1394 | |
| 408 | E | A | -0.2753 | |
| 409 | W | A | 0.6623 | |
| 410 | Q | A | 0.0000 | |
| 411 | T | A | 0.3665 | |
| 412 | S | A | -0.2081 | |
| 413 | T | A | -0.5408 | |
| 414 | N | A | -0.9194 | |
| 415 | P | A | 0.0000 | |
| 416 | S | A | 0.0445 | |
| 417 | V | A | 0.5577 | |
| 418 | F | A | 0.7946 | |
| 419 | W | A | 0.4737 | |
| 420 | T | A | 0.0000 | |
| 421 | E | A | -0.7383 | |
| 422 | A | A | -0.6543 | |
| 423 | L | A | 0.0000 | |
| 424 | K | A | -0.4979 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.6539 | |
| 427 | S | A | -1.2204 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.6171 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.5897 | |
| 432 | S | A | -1.4225 | |
| 433 | D | A | -2.5809 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.8200 | |
| 437 | D | A | -2.1178 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.7547 | |
| 440 | G | A | -0.7294 | |
| 441 | I | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | A | A | 0.4642 | |
| 444 | S | A | 0.8673 | |
| 445 | P | A | 1.1176 | |
| 446 | V | A | 2.1556 | |
| 447 | L | A | 1.9842 | |
| 448 | T | A | 1.0859 | |
| 449 | H | A | 0.4823 | |
| 450 | Q | A | 0.2938 | |
| 451 | I | A | -0.0291 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 0.6612 | |
| 454 | V | A | 0.4306 | |
| 455 | P | A | 0.0245 | |
| 456 | P | A | -0.4922 | |
| 457 | G | A | -0.5570 | |
| 458 | G | A | -0.0258 | |
| 459 | P | A | 0.1062 | |
| 460 | I | A | 0.6020 | |
| 461 | P | A | -0.1304 | |
| 462 | A | A | -0.5742 | |
| 463 | K | A | -1.2346 | |
| 464 | V | A | 0.1179 | |
| 465 | D | A | -1.4150 | |
| 466 | S | A | -0.5746 | |
| 467 | Y | A | 0.1512 | |
| 468 | E | A | -1.0493 | |
| 469 | W | A | 0.5382 | |
| 470 | Q | A | 0.1995 | |
| 471 | T | A | -0.0281 | |
| 472 | S | A | -0.4224 | |
| 473 | T | A | -0.6540 | |
| 474 | N | A | -1.0642 | |
| 475 | P | A | -0.6389 | |
| 476 | S | A | 0.1535 | |
| 477 | V | A | 0.7304 | |
| 478 | F | A | 0.7306 | |
| 479 | W | A | 0.5364 | |
| 480 | T | A | 0.0000 | |
| 481 | E | A | -0.5448 | |
| 482 | E | A | -0.5880 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.2858 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.0875 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.7931 | |
| 492 | D | A | -0.4172 | |
| 493 | V | A | 0.7669 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.2776 | |
| 497 | E | A | -1.0688 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.3755 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | L | A | 0.3894 | |
| 504 | L | A | 1.1654 | |
| 505 | F | A | 1.1039 | |
| 506 | T | A | 0.0000 | |
| 507 | Y | A | 1.8637 | |
| 508 | L | A | 1.1005 | |
| 509 | R | A | -1.2292 | |
| 510 | F | A | -1.3914 | |
| 511 | D | A | -2.8931 | |
| 512 | A | A | -2.2100 | |
| 513 | E | A | -2.8367 | |
| 514 | I | A | 0.0000 | |
| 515 | T | A | -0.5403 | |
| 516 | I | A | 0.1530 | |
| 517 | L | A | 0.0000 | |
| 518 | T | A | -0.3045 | |
| 519 | T | A | 0.0000 | |
| 520 | L | A | 0.0000 | |
| 521 | W | A | -0.0504 | |
| 522 | I | A | 0.0000 | |
| 523 | W | A | -0.7089 | |
| 524 | E | A | -2.4492 | |
| 525 | C | A | 0.0000 | |
| 526 | G | A | -1.9756 | |
| 527 | I | A | 0.0000 | |
| 528 | T | A | -1.6255 | |
| 529 | A | A | -1.7790 | |
| 530 | K | A | -1.8555 | |
| 531 | G | A | 0.0000 | |
| 532 | C | A | 0.0000 | |
| 533 | G | A | -1.6121 | |
| 534 | D | A | -1.4453 | |
| 535 | L | A | 0.0000 | |
| 536 | C | A | 0.0000 | |
| 537 | R | A | -2.1583 | |
| 538 | V | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | R | A | -1.1235 | |
| 541 | A | A | -0.3682 | |
| 542 | L | A | 0.0000 | |
| 543 | F | A | 0.0000 | |
| 544 | T | A | 0.2494 | |
| 545 | Y | A | 0.9376 | |
| 546 | L | A | 0.0000 | |
| 547 | R | A | -2.7202 | |
| 548 | F | A | 0.0000 | |
| 549 | D | A | -3.5831 | |
| 550 | A | A | 0.0000 | |
| 551 | E | A | -3.3142 | |
| 552 | I | A | 0.0000 | |
| 553 | T | A | -0.7596 | |
| 554 | I | A | 0.0000 | |
| 555 | L | A | 0.0000 | |
| 556 | T | A | -0.1563 | |
| 557 | E | A | -0.3012 | |
| 558 | L | A | 0.0000 | |
| 559 | S | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | A | A | -0.9092 | |
| 562 | G | A | -1.5984 | |
| 563 | N | A | 0.0000 | |
| 564 | E | A | -2.3837 | |
| 565 | L | A | 0.0000 | |
| 566 | G | A | -1.4086 | |
| 567 | D | A | -1.4937 | |
| 568 | E | A | -1.8028 | |
| 569 | G | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | R | A | -1.5603 | |
| 572 | L | A | -1.4631 | |
| 573 | L | A | 0.0000 | |
| 574 | C | A | 0.0000 | |
| 575 | E | A | -1.5445 | |
| 576 | T | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | L | A | 0.0256 | |
| 579 | L | A | 0.4114 | |
| 580 | F | A | 0.0000 | |
| 581 | T | A | 0.0000 | |
| 582 | Y | A | 1.3029 | |
| 583 | L | A | -0.0435 | |
| 584 | R | A | -2.2929 | |
| 585 | F | A | 0.0000 | |
| 586 | D | A | -3.7720 | |
| 587 | A | A | 0.0000 | |
| 588 | E | A | -3.0316 | |
| 589 | I | A | 0.0000 | |
| 590 | T | A | -0.5222 | |
| 591 | I | A | 0.0000 | |
| 592 | L | A | 0.0000 | |
| 593 | T | A | -0.1169 | |
| 594 | S | A | 0.0000 | |
| 595 | L | A | 0.0000 | |
| 596 | W | A | 0.1187 | |
| 597 | V | A | 0.0000 | |
| 598 | K | A | -0.8474 | |
| 599 | S | A | -1.6841 | |
| 600 | C | A | 0.0000 | |
| 601 | S | A | -1.5504 | |
| 602 | F | A | 0.0000 | |
| 603 | T | A | -1.0606 | |
| 604 | A | A | -1.1378 | |
| 605 | A | A | -0.7843 | |
| 606 | C | A | 0.0000 | |
| 607 | C | A | 0.0000 | |
| 608 | S | A | -0.9686 | |
| 609 | H | A | -0.9693 | |
| 610 | F | A | 0.0000 | |
| 611 | S | A | -0.8893 | |
| 612 | S | A | -0.7373 | |
| 613 | V | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | A | A | -0.0724 | |
| 616 | Q | A | 0.2258 | |
| 617 | L | A | 0.0000 | |
| 618 | F | A | 0.0000 | |
| 619 | T | A | 0.4928 | |
| 620 | Y | A | 0.5056 | |
| 621 | L | A | -0.7391 | |
| 622 | R | A | -2.4285 | |
| 623 | F | A | -2.4904 | |
| 624 | D | A | -3.2431 | |
| 625 | A | A | -2.8692 | |
| 626 | E | A | -2.3881 | |
| 627 | I | A | -0.8636 | |
| 628 | T | A | -0.3699 | |
| 629 | I | A | 0.2363 | |
| 630 | L | A | 0.0000 | |
| 631 | T | A | -0.0518 | |
| 632 | E | A | -0.1583 | |
| 633 | L | A | 0.0000 | |
| 634 | Q | A | 0.0000 | |
| 635 | I | A | 0.0000 | |
| 636 | S | A | 0.0000 | |
| 637 | N | A | -2.5099 | |
| 638 | N | A | 0.0000 | |
| 639 | R | A | -3.1745 | |
| 640 | L | A | 0.0000 | |
| 641 | E | A | -2.7802 | |
| 642 | D | A | -1.9855 | |
| 643 | A | A | -1.3145 | |
| 644 | G | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | R | A | -2.2827 | |
| 647 | E | A | -2.2427 | |
| 648 | L | A | 0.0000 | |
| 649 | C | A | 0.0000 | |
| 650 | Q | A | -1.7592 | |
| 651 | G | A | 0.0000 | |
| 652 | L | A | 0.0000 | |
| 653 | G | A | -0.0222 | |
| 654 | L | A | 0.7854 | |
| 655 | F | A | 0.0000 | |
| 656 | T | A | 0.0000 | |
| 657 | Y | A | 1.2641 | |
| 658 | L | A | -0.1140 | |
| 659 | R | A | -2.5954 | |
| 660 | F | A | 0.0000 | |
| 661 | D | A | -3.6297 | |
| 662 | A | A | -3.1236 | |
| 663 | E | A | -3.1130 | |
| 664 | I | A | -1.3400 | |
| 665 | T | A | -0.5931 | |
| 666 | I | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | T | A | -0.0549 | |
| 669 | V | A | 0.0364 | |
| 670 | L | A | 0.0000 | |
| 671 | W | A | -0.1034 | |
| 672 | L | A | 0.0000 | |
| 673 | A | A | -1.5222 | |
| 674 | D | A | -3.0720 | |
| 675 | C | A | 0.0000 | |
| 676 | D | A | -3.2895 | |
| 677 | V | A | 0.0000 | |
| 678 | S | A | -0.8523 | |
| 679 | D | A | -0.8787 | |
| 680 | S | A | -0.8876 | |
| 681 | S | A | 0.0000 | |
| 682 | C | A | 0.0000 | |
| 683 | S | A | -0.5755 | |
| 684 | S | A | -0.9147 | |
| 685 | L | A | 0.0000 | |
| 686 | A | A | 0.0000 | |
| 687 | A | A | -0.0796 | |
| 688 | T | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | L | A | 0.4445 | |
| 691 | A | A | 0.5626 | |
| 692 | L | A | 0.0000 | |
| 693 | F | A | 0.0000 | |
| 694 | T | A | 0.4338 | |
| 695 | Y | A | 1.0334 | |
| 696 | L | A | 0.0000 | |
| 697 | R | A | -2.5988 | |
| 698 | F | A | 0.0000 | |
| 699 | D | A | -4.0083 | |
| 700 | A | A | 0.0000 | |
| 701 | E | A | -3.4335 | |
| 702 | I | A | 0.0000 | |
| 703 | T | A | -0.7460 | |
| 704 | I | A | 0.0000 | |
| 705 | L | A | 0.0000 | |
| 706 | T | A | -0.1207 | |
| 707 | E | A | -0.4791 | |
| 708 | L | A | 0.0000 | |
| 709 | D | A | -0.2198 | |
| 710 | L | A | 0.0000 | |
| 711 | S | A | 0.0000 | |
| 712 | N | A | -2.0941 | |
| 713 | N | A | 0.0000 | |
| 714 | C | A | -0.3177 | |
| 715 | L | A | 0.0000 | |
| 716 | G | A | -0.0805 | |
| 717 | D | A | -1.2212 | |
| 718 | A | A | -0.5583 | |
| 719 | G | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | L | A | -0.6087 | |
| 722 | Q | A | -1.0038 | |
| 723 | L | A | 0.0000 | |
| 724 | V | A | 0.0000 | |
| 725 | E | A | -1.5029 | |
| 726 | S | A | 0.0000 | |
| 727 | V | A | 0.0000 | |
| 728 | R | A | -0.9399 | |
| 729 | L | A | 0.6104 | |
| 730 | F | A | 0.0000 | |
| 731 | T | A | 1.0646 | |
| 732 | Y | A | 1.3761 | |
| 733 | L | A | 0.4810 | |
| 734 | R | A | -2.1009 | |
| 735 | F | A | -2.7041 | |
| 736 | D | A | -3.7778 | |
| 737 | A | A | 0.0000 | |
| 738 | E | A | -3.3204 | |
| 739 | I | A | 0.0000 | |
| 740 | T | A | -0.6714 | |
| 741 | I | A | 0.0000 | |
| 742 | L | A | 0.0000 | |
| 743 | T | A | -0.5704 | |
| 744 | Q | A | -0.8489 | |
| 745 | L | A | 0.0000 | |
| 746 | V | A | 0.0000 | |
| 747 | L | A | 0.0000 | |
| 748 | Y | A | 0.0428 | |
| 749 | D | A | -1.4213 | |
| 750 | I | A | 0.0000 | |
| 751 | Y | A | 0.6242 | |
| 752 | W | A | -0.5180 | |
| 753 | S | A | -1.9191 | |
| 754 | E | A | -3.4953 | |
| 755 | E | A | -3.8757 | |
| 756 | M | A | 0.0000 | |
| 757 | E | A | -3.3296 | |
| 758 | D | A | -3.9894 | |
| 759 | R | A | -3.0543 | |
| 760 | L | A | 0.0000 | |
| 761 | Q | A | -2.7906 | |
| 762 | A | A | -2.3902 | |
| 763 | L | A | 0.0000 | |
| 764 | E | A | -2.3452 | |
| 765 | K | A | -2.2571 | |
| 766 | D | A | -1.3404 | |
| 767 | L | A | 0.0000 | |
| 768 | F | A | 1.7309 | |
| 769 | T | A | 1.0516 | |
| 770 | Y | A | 2.1100 | |
| 771 | L | A | 1.2920 | |
| 772 | R | A | -1.3624 | |
| 773 | F | A | -1.8001 | |
| 774 | D | A | -2.9318 | |
| 775 | A | A | -2.7343 | |
| 776 | E | A | -2.8213 | |
| 777 | I | A | -1.0896 | |
| 778 | T | A | -0.4361 | |
| 779 | I | A | 0.0860 | |
| 780 | L | A | 0.0000 | |
| 781 | T | A | -0.8296 | |
| 782 | R | A | -1.8565 | |
| 783 | V | A | -0.7617 | |
| 784 | I | A | 0.0299 | |
| 785 | S | A | 0.0117 |
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, -0.3184 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 | -0.3184 | View | CSV | PDB |
| model_10 | -0.4245 | View | CSV | PDB |
| model_8 | -0.4254 | View | CSV | PDB |
| model_6 | -0.4441 | View | CSV | PDB |
| model_2 | -0.4664 | View | CSV | PDB |
| model_11 | -0.4704 | View | CSV | PDB |
| CABS_average | -0.4743 | View | CSV | PDB |
| model_7 | -0.4757 | View | CSV | PDB |
| model_4 | -0.4832 | View | CSV | PDB |
| model_9 | -0.484 | View | CSV | PDB |
| model_0 | -0.4859 | View | CSV | PDB |
| model_3 | -0.4881 | View | CSV | PDB |
| model_1 | -0.4977 | View | CSV | PDB |
| model_5 | -0.5456 | 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