Project name: T7 RNAPWT
Status: done
Started: 2026-03-24 14:36:59
| Chain sequence(s) |
A: MNTINIAKNDFSDIELAAIPFNTLADHYGERLAREQLALEHESYEMGEARFRKMFERQLKAGEVADNAAAKPLITTLLPKMIARINDWFEEVKAKRGKRPTAFQFLQEIKPEAVAYITIKTTLACLTSADNTTVQAVASAIGRAIEDEARFGRIRDLEAKHFKKNVEEQLNKRVGHVYKKAFMQVVEADMLSKGLLGGEAWSSWHKEDSIHVGVRCIEMLIESTGMVSLHRQNAGVVGQDSETIELAPEYAEAIATRAGALAGISPMFQPCVVPPKPWTGITGGGYWANGRRPLALVRTHSKKALMRYEDVYMPEVYKAINIAQNTAWKINKKVLAVANVITKWKHCPVEDIPAIEREELPMKPEDIDMNPEALTAWKRAAAAVYRKDRARKSRRISLEFMLEQANKFANHKAIWFPYNMDWRGRVYAVSMFNPQGNDMTKGLLTLAKGKPIGKEGYYWLKIHGANCAGVDKVPFPERIKFIEENHENIMACAKSPLENTWWAEQDSPFCFLAFCFEYAGVQHHGLSYNCSLPLAFDGSCSGIQHFSAMLRDEVGGRAVNLLPSETVQDIYGIVAKKVNEILQADAINGTDNEVVTVTDENTGEISEKVKLGTKALAGQWLAHGVTRSVTKRSVMTLAYGSKEFGFRQQVLEDTIQPAIDSGKGPMFTQPNQAAGYMAKLIWESVSVTVVAAVEAMNWLKSAAKLLAAEVKDKKTGEILRKRCAVHWVTPDGFPVWQEYKKPIQTRLNLMFLGQFRLQPTINTNKDSEIDAHKQESGIAPNFVHSQDGSHLRKTVVWAHEKYGIESFALIHDSFGTIPADAANLFKAVRETMVDTYESCDVLADFYDQFADQLHESQLDKMPALPAKGNLNLRDILESDFAFA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | Used: no changes made |
| 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] PDB: Running AlphaCutter (00:00:01)
[INFO] PDB: AlphaCutter did not cut any residues. The original structure will be used
for analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] CABS: Running CABS flex simulation (00:09:04)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:58:59)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:59:06)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:59:14)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:59:21)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:59:28)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:59:36)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:59:43)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:59:51)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:59:58)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:00:06)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:00:14)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:00:21)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:00:29)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:00:47)
[INFO] Main: Simulation completed successfully. (03:00:54)
|
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
- -4.3075
- Maximal score value
- 2.1455
- Average score
- -0.752
- Total score value
- -664.0107
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 | M | A | 1.4301 | |
| 2 | N | A | 0.7959 | |
| 3 | T | A | 0.6002 | |
| 4 | I | A | 1.5683 | |
| 5 | N | A | -0.5985 | |
| 6 | I | A | 0.0000 | |
| 7 | A | A | -0.5527 | |
| 8 | K | A | -1.9161 | |
| 9 | N | A | 0.0000 | |
| 10 | D | A | -2.0101 | |
| 11 | F | A | 0.0876 | |
| 12 | S | A | -0.1686 | |
| 13 | D | A | -0.6817 | |
| 14 | I | A | 0.6786 | |
| 15 | E | A | -1.2102 | |
| 16 | L | A | 0.0000 | |
| 17 | A | A | 0.0000 | |
| 18 | A | A | -0.4080 | |
| 19 | I | A | -0.3913 | |
| 20 | P | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | N | A | -1.5575 | |
| 23 | T | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | A | A | -2.5804 | |
| 26 | D | A | -3.0585 | |
| 27 | H | A | -2.6820 | |
| 28 | Y | A | 0.0000 | |
| 29 | G | A | -2.8797 | |
| 30 | E | A | -3.4130 | |
| 31 | R | A | -3.1085 | |
| 32 | L | A | 0.0000 | |
| 33 | A | A | 0.0000 | |
| 34 | R | A | 0.0000 | |
| 35 | E | A | 0.0000 | |
| 36 | Q | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | E | A | 0.0000 | |
| 41 | H | A | 0.0000 | |
| 42 | E | A | -0.4765 | |
| 43 | S | A | 0.0000 | |
| 44 | Y | A | 0.0000 | |
| 45 | E | A | -0.8662 | |
| 46 | M | A | 0.0000 | |
| 47 | G | A | -1.4924 | |
| 48 | E | A | -2.6008 | |
| 49 | A | A | -1.8697 | |
| 50 | R | A | -1.6293 | |
| 51 | F | A | -1.5807 | |
| 52 | R | A | -2.7939 | |
| 53 | K | A | -2.3375 | |
| 54 | M | A | 0.0000 | |
| 55 | F | A | -0.1881 | |
| 56 | E | A | -1.4224 | |
| 57 | R | A | -1.3703 | |
| 58 | Q | A | 0.0000 | |
| 59 | L | A | 0.3351 | |
| 60 | K | A | -1.2935 | |
| 61 | A | A | -0.7576 | |
| 62 | G | A | -1.0043 | |
| 63 | E | A | -0.9416 | |
| 64 | V | A | -0.4416 | |
| 65 | A | A | -0.8848 | |
| 66 | D | A | -2.3486 | |
| 67 | N | A | -2.0579 | |
| 68 | A | A | -1.1149 | |
| 69 | A | A | -0.9503 | |
| 70 | A | A | -1.1014 | |
| 71 | K | A | -0.6085 | |
| 72 | P | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | T | A | 0.0608 | |
| 77 | L | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | P | A | -0.5609 | |
| 80 | K | A | -0.9143 | |
| 81 | M | A | 0.0000 | |
| 82 | I | A | -0.3879 | |
| 83 | A | A | -0.8377 | |
| 84 | R | A | -1.6881 | |
| 85 | I | A | 0.0000 | |
| 86 | N | A | -2.2425 | |
| 87 | D | A | -2.5250 | |
| 88 | W | A | -1.4409 | |
| 89 | F | A | -2.3707 | |
| 90 | E | A | -3.8460 | |
| 91 | E | A | -3.7262 | |
| 92 | V | A | -3.2415 | |
| 93 | K | A | -3.7825 | |
| 94 | A | A | -2.8211 | |
| 95 | K | A | -3.6619 | |
| 96 | R | A | -3.9038 | |
| 97 | G | A | -3.2242 | |
| 98 | K | A | -3.3055 | |
| 99 | R | A | -3.2687 | |
| 100 | P | A | -2.5288 | |
| 101 | T | A | -1.7698 | |
| 102 | A | A | -1.8444 | |
| 103 | F | A | 0.0000 | |
| 104 | Q | A | -2.1476 | |
| 105 | F | A | -1.3663 | |
| 106 | L | A | -1.2547 | |
| 107 | Q | A | -2.0691 | |
| 108 | E | A | -2.6512 | |
| 109 | I | A | 0.0000 | |
| 110 | K | A | -1.5991 | |
| 111 | P | A | -0.9532 | |
| 112 | E | A | -0.7191 | |
| 113 | A | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | T | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | K | A | 0.0000 | |
| 121 | T | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | A | A | 0.0882 | |
| 125 | C | A | 0.0333 | |
| 126 | L | A | 0.0000 | |
| 127 | T | A | -0.3465 | |
| 128 | S | A | -0.6359 | |
| 129 | A | A | -1.1507 | |
| 130 | D | A | -1.8064 | |
| 131 | N | A | -2.0039 | |
| 132 | T | A | -1.0993 | |
| 133 | T | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | Q | A | -0.4067 | |
| 136 | A | A | -0.1452 | |
| 137 | V | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | S | A | -0.2062 | |
| 140 | A | A | -0.0826 | |
| 141 | I | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | R | A | -0.5497 | |
| 144 | A | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | E | A | -0.7502 | |
| 147 | D | A | 0.0000 | |
| 148 | E | A | 0.0000 | |
| 149 | A | A | -1.2411 | |
| 150 | R | A | -1.1214 | |
| 151 | F | A | 0.0000 | |
| 152 | G | A | -1.5766 | |
| 153 | R | A | -1.8742 | |
| 154 | I | A | -0.8246 | |
| 155 | R | A | 0.0000 | |
| 156 | D | A | -1.3010 | |
| 157 | L | A | -0.6944 | |
| 158 | E | A | 0.0000 | |
| 159 | A | A | -1.3014 | |
| 160 | K | A | -2.1078 | |
| 161 | H | A | -1.3897 | |
| 162 | F | A | 0.0000 | |
| 163 | K | A | -3.0987 | |
| 164 | K | A | -3.9195 | |
| 165 | N | A | -3.3295 | |
| 166 | V | A | 0.0000 | |
| 167 | E | A | -4.1816 | |
| 168 | E | A | -3.8850 | |
| 169 | Q | A | -2.9752 | |
| 170 | L | A | -1.2404 | |
| 171 | N | A | -2.7227 | |
| 172 | K | A | -3.1077 | |
| 173 | R | A | -1.4529 | |
| 174 | V | A | -0.3586 | |
| 175 | G | A | -0.1010 | |
| 176 | H | A | -0.1077 | |
| 177 | V | A | 0.0678 | |
| 178 | Y | A | 0.0000 | |
| 179 | K | A | -2.9813 | |
| 180 | K | A | -2.6308 | |
| 181 | A | A | -0.8694 | |
| 182 | F | A | 1.3365 | |
| 183 | M | A | 0.0000 | |
| 184 | Q | A | -1.1767 | |
| 185 | V | A | -1.1177 | |
| 186 | V | A | 0.0000 | |
| 187 | E | A | -2.3670 | |
| 188 | A | A | 0.0000 | |
| 189 | D | A | -1.9284 | |
| 190 | M | A | -0.7591 | |
| 191 | L | A | 0.0000 | |
| 192 | S | A | 0.0000 | |
| 193 | K | A | -2.4525 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | G | A | -0.6090 | |
| 198 | G | A | -0.8001 | |
| 199 | E | A | -0.6749 | |
| 200 | A | A | -0.3630 | |
| 201 | W | A | 0.0000 | |
| 202 | S | A | -0.5199 | |
| 203 | S | A | -0.4596 | |
| 204 | W | A | -0.6776 | |
| 205 | H | A | -1.1373 | |
| 206 | K | A | 0.0000 | |
| 207 | E | A | -1.3151 | |
| 208 | D | A | -1.1505 | |
| 209 | S | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | H | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | R | A | -1.0207 | |
| 216 | C | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | E | A | -0.4837 | |
| 219 | M | A | -0.4327 | |
| 220 | L | A | 0.0000 | |
| 221 | I | A | 0.1062 | |
| 222 | E | A | -0.6612 | |
| 223 | S | A | -0.4605 | |
| 224 | T | A | -0.2662 | |
| 225 | G | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | S | A | -0.4687 | |
| 229 | L | A | 0.0000 | |
| 230 | H | A | -1.1842 | |
| 231 | R | A | 0.0000 | |
| 232 | Q | A | -2.8958 | |
| 233 | N | A | -2.6838 | |
| 234 | A | A | -1.1503 | |
| 235 | G | A | 0.1380 | |
| 236 | V | A | 2.1455 | |
| 237 | V | A | 1.6135 | |
| 238 | G | A | -0.5483 | |
| 239 | Q | A | -2.1350 | |
| 240 | D | A | -3.2091 | |
| 241 | S | A | -2.4114 | |
| 242 | E | A | -1.9525 | |
| 243 | T | A | -1.5173 | |
| 244 | I | A | 0.0000 | |
| 245 | E | A | -1.4542 | |
| 246 | L | A | 0.0000 | |
| 247 | A | A | -0.8066 | |
| 248 | P | A | -1.0511 | |
| 249 | E | A | -1.2851 | |
| 250 | Y | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | E | A | -1.7263 | |
| 253 | A | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | T | A | -1.4730 | |
| 257 | R | A | -1.7161 | |
| 258 | A | A | 0.0000 | |
| 259 | G | A | -0.7060 | |
| 260 | A | A | -0.6388 | |
| 261 | L | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | G | A | -0.2648 | |
| 264 | I | A | 0.0000 | |
| 265 | S | A | 0.0000 | |
| 266 | P | A | 0.0000 | |
| 267 | M | A | 0.3491 | |
| 268 | F | A | 0.6423 | |
| 269 | Q | A | 0.0000 | |
| 270 | P | A | 0.0000 | |
| 271 | C | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | P | A | 0.0000 | |
| 275 | P | A | 0.0000 | |
| 276 | K | A | 0.0000 | |
| 277 | P | A | -0.8467 | |
| 278 | W | A | -0.3417 | |
| 279 | T | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | I | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | G | A | -0.1202 | |
| 286 | Y | A | 0.0000 | |
| 287 | W | A | 0.0000 | |
| 288 | A | A | 0.0000 | |
| 289 | N | A | 0.0000 | |
| 290 | G | A | 0.0000 | |
| 291 | R | A | -0.3469 | |
| 292 | R | A | 0.0000 | |
| 293 | P | A | -0.3388 | |
| 294 | L | A | 0.0000 | |
| 295 | A | A | -0.6380 | |
| 296 | L | A | 0.0000 | |
| 297 | V | A | -0.7516 | |
| 298 | R | A | -1.6822 | |
| 299 | T | A | -1.2783 | |
| 300 | H | A | -1.5758 | |
| 301 | S | A | 0.0000 | |
| 302 | K | A | -1.9231 | |
| 303 | K | A | -1.9157 | |
| 304 | A | A | 0.0000 | |
| 305 | L | A | -0.9655 | |
| 306 | M | A | -0.2677 | |
| 307 | R | A | -1.2845 | |
| 308 | Y | A | -1.0187 | |
| 309 | E | A | -1.5655 | |
| 310 | D | A | -1.3333 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | -0.3208 | |
| 313 | M | A | -0.1541 | |
| 314 | P | A | -0.9384 | |
| 315 | E | A | -2.0110 | |
| 316 | V | A | 0.0000 | |
| 317 | Y | A | 0.0000 | |
| 318 | K | A | -1.8614 | |
| 319 | A | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | N | A | -1.0027 | |
| 322 | I | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | Q | A | 0.0000 | |
| 325 | N | A | -0.5928 | |
| 326 | T | A | 0.0000 | |
| 327 | A | A | -0.1475 | |
| 328 | W | A | 0.0000 | |
| 329 | K | A | -1.8322 | |
| 330 | I | A | 0.0000 | |
| 331 | N | A | -2.0989 | |
| 332 | K | A | -3.0621 | |
| 333 | K | A | -2.5070 | |
| 334 | V | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | A | A | -1.0573 | |
| 337 | V | A | -0.6368 | |
| 338 | A | A | 0.0000 | |
| 339 | N | A | -0.9833 | |
| 340 | V | A | -0.0997 | |
| 341 | I | A | 0.0000 | |
| 342 | T | A | 0.0000 | |
| 343 | K | A | -2.0825 | |
| 344 | W | A | -1.9564 | |
| 345 | K | A | -2.8661 | |
| 346 | H | A | -2.4032 | |
| 347 | C | A | 0.0000 | |
| 348 | P | A | -1.8677 | |
| 349 | V | A | 0.0000 | |
| 350 | E | A | -1.6486 | |
| 351 | D | A | -1.5240 | |
| 352 | I | A | 0.0000 | |
| 353 | P | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | I | A | -1.8567 | |
| 356 | E | A | 0.0000 | |
| 357 | R | A | -2.9852 | |
| 358 | E | A | -2.1046 | |
| 359 | E | A | -1.1157 | |
| 360 | L | A | -0.4147 | |
| 361 | P | A | -0.0160 | |
| 362 | M | A | -0.0295 | |
| 363 | K | A | -1.7492 | |
| 364 | P | A | -1.7143 | |
| 365 | E | A | -2.6149 | |
| 366 | D | A | -2.3083 | |
| 367 | I | A | -0.1508 | |
| 368 | D | A | -1.4529 | |
| 369 | M | A | -0.2542 | |
| 370 | N | A | -1.3191 | |
| 371 | P | A | -1.4894 | |
| 372 | E | A | -2.2408 | |
| 373 | A | A | 0.0000 | |
| 374 | L | A | -1.1467 | |
| 375 | T | A | -1.7124 | |
| 376 | A | A | 0.0000 | |
| 377 | W | A | -2.0011 | |
| 378 | K | A | -2.6657 | |
| 379 | R | A | -2.6207 | |
| 380 | A | A | 0.0000 | |
| 381 | A | A | -1.6810 | |
| 382 | A | A | -1.3905 | |
| 383 | A | A | -1.4564 | |
| 384 | V | A | -1.2130 | |
| 385 | Y | A | -0.4178 | |
| 386 | R | A | -2.3088 | |
| 387 | K | A | -1.9481 | |
| 388 | D | A | 0.0000 | |
| 389 | R | A | -1.2954 | |
| 390 | A | A | -1.4097 | |
| 391 | R | A | -1.1998 | |
| 392 | K | A | 0.0000 | |
| 393 | S | A | -0.9248 | |
| 394 | R | A | -0.9074 | |
| 395 | R | A | 0.0000 | |
| 396 | I | A | 0.0000 | |
| 397 | S | A | -0.3815 | |
| 398 | L | A | 0.0000 | |
| 399 | E | A | 0.0000 | |
| 400 | F | A | 0.0000 | |
| 401 | M | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | E | A | 0.0000 | |
| 404 | Q | A | 0.0000 | |
| 405 | A | A | 0.0000 | |
| 406 | N | A | -1.5407 | |
| 407 | K | A | -1.0267 | |
| 408 | F | A | 0.0000 | |
| 409 | A | A | -1.8332 | |
| 410 | N | A | -1.6668 | |
| 411 | H | A | 0.0000 | |
| 412 | K | A | -3.0693 | |
| 413 | A | A | -1.6031 | |
| 414 | I | A | 0.0000 | |
| 415 | W | A | 0.0000 | |
| 416 | F | A | 0.0000 | |
| 417 | P | A | 0.0923 | |
| 418 | Y | A | 0.0000 | |
| 419 | N | A | 0.0000 | |
| 420 | M | A | 0.0000 | |
| 421 | D | A | -0.9249 | |
| 422 | W | A | 0.0000 | |
| 423 | R | A | -1.0432 | |
| 424 | G | A | 0.0000 | |
| 425 | R | A | -0.4694 | |
| 426 | V | A | 0.0000 | |
| 427 | Y | A | 0.5594 | |
| 428 | A | A | 0.4193 | |
| 429 | V | A | 0.3606 | |
| 430 | S | A | 0.0000 | |
| 431 | M | A | 0.1444 | |
| 432 | F | A | 0.0000 | |
| 433 | N | A | -0.6679 | |
| 434 | P | A | -0.8151 | |
| 435 | Q | A | -1.5549 | |
| 436 | G | A | -1.2763 | |
| 437 | N | A | -1.2615 | |
| 438 | D | A | -1.3923 | |
| 439 | M | A | 0.0000 | |
| 440 | T | A | 0.0000 | |
| 441 | K | A | -1.3007 | |
| 442 | G | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | T | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | A | A | -0.9180 | |
| 448 | K | A | -1.0891 | |
| 449 | G | A | -1.1871 | |
| 450 | K | A | -1.4519 | |
| 451 | P | A | -1.0190 | |
| 452 | I | A | 0.0000 | |
| 453 | G | A | -1.2231 | |
| 454 | K | A | -2.1156 | |
| 455 | E | A | -2.3141 | |
| 456 | G | A | 0.0000 | |
| 457 | Y | A | -0.3526 | |
| 458 | Y | A | -0.2146 | |
| 459 | W | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | K | A | 0.0000 | |
| 462 | I | A | 0.0000 | |
| 463 | H | A | 0.0000 | |
| 464 | G | A | 0.0000 | |
| 465 | A | A | 0.0000 | |
| 466 | N | A | -0.3584 | |
| 467 | C | A | -0.4045 | |
| 468 | A | A | -0.5847 | |
| 469 | G | A | -1.0986 | |
| 470 | V | A | -1.0163 | |
| 471 | D | A | -2.2461 | |
| 472 | K | A | -2.6310 | |
| 473 | V | A | 0.0000 | |
| 474 | P | A | -1.2327 | |
| 475 | F | A | -0.7422 | |
| 476 | P | A | -0.9658 | |
| 477 | E | A | -2.3855 | |
| 478 | R | A | 0.0000 | |
| 479 | I | A | -1.4061 | |
| 480 | K | A | -2.8953 | |
| 481 | F | A | -1.5230 | |
| 482 | I | A | 0.0000 | |
| 483 | E | A | -3.5465 | |
| 484 | E | A | -3.6808 | |
| 485 | N | A | -2.5741 | |
| 486 | H | A | -2.4883 | |
| 487 | E | A | -2.5363 | |
| 488 | N | A | -1.0869 | |
| 489 | I | A | 0.0000 | |
| 490 | M | A | -0.1801 | |
| 491 | A | A | -0.4961 | |
| 492 | C | A | 0.0000 | |
| 493 | A | A | -0.3757 | |
| 494 | K | A | -1.4358 | |
| 495 | S | A | -1.3853 | |
| 496 | P | A | -1.0715 | |
| 497 | L | A | 0.0000 | |
| 498 | E | A | -2.4947 | |
| 499 | N | A | -2.3709 | |
| 500 | T | A | -1.4137 | |
| 501 | W | A | -0.5524 | |
| 502 | W | A | 0.0000 | |
| 503 | A | A | 0.0000 | |
| 504 | E | A | -2.3701 | |
| 505 | Q | A | -1.8456 | |
| 506 | D | A | -2.5006 | |
| 507 | S | A | -1.5844 | |
| 508 | P | A | 0.0000 | |
| 509 | F | A | 0.0000 | |
| 510 | C | A | -0.5751 | |
| 511 | F | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | A | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | C | A | 0.0000 | |
| 516 | F | A | -0.1306 | |
| 517 | E | A | -0.6533 | |
| 518 | Y | A | 0.0000 | |
| 519 | A | A | -0.8145 | |
| 520 | G | A | -0.9825 | |
| 521 | V | A | 0.0000 | |
| 522 | Q | A | -1.2781 | |
| 523 | H | A | -1.6725 | |
| 524 | H | A | -1.6060 | |
| 525 | G | A | -0.4722 | |
| 526 | L | A | 0.4067 | |
| 527 | S | A | -0.3465 | |
| 528 | Y | A | -0.8538 | |
| 529 | N | A | -1.5437 | |
| 530 | C | A | 0.0000 | |
| 531 | S | A | -0.8019 | |
| 532 | L | A | 0.0000 | |
| 533 | P | A | 0.0000 | |
| 534 | L | A | 0.0000 | |
| 535 | A | A | -0.0414 | |
| 536 | F | A | -0.1582 | |
| 537 | D | A | -0.7300 | |
| 538 | G | A | 0.0000 | |
| 539 | S | A | -0.4100 | |
| 540 | C | A | 0.0000 | |
| 541 | S | A | -0.1417 | |
| 542 | G | A | 0.1385 | |
| 543 | I | A | 0.0000 | |
| 544 | Q | A | 0.0000 | |
| 545 | H | A | 0.0000 | |
| 546 | F | A | 0.0000 | |
| 547 | S | A | 0.0000 | |
| 548 | A | A | 0.0000 | |
| 549 | M | A | 0.0000 | |
| 550 | L | A | 0.0000 | |
| 551 | R | A | -2.0985 | |
| 552 | D | A | -1.3675 | |
| 553 | E | A | -1.1479 | |
| 554 | V | A | 0.6297 | |
| 555 | G | A | 0.3047 | |
| 556 | G | A | 0.0000 | |
| 557 | R | A | -1.3872 | |
| 558 | A | A | -0.3189 | |
| 559 | V | A | 0.0000 | |
| 560 | N | A | 0.0000 | |
| 561 | L | A | -0.5266 | |
| 562 | L | A | 0.0000 | |
| 563 | P | A | 0.0000 | |
| 564 | S | A | -1.1180 | |
| 565 | E | A | -1.2284 | |
| 566 | T | A | 0.0000 | |
| 567 | V | A | -0.0501 | |
| 568 | Q | A | -1.5375 | |
| 569 | D | A | 0.0000 | |
| 570 | I | A | 0.0000 | |
| 571 | Y | A | 0.0000 | |
| 572 | G | A | -1.4668 | |
| 573 | I | A | -0.7528 | |
| 574 | V | A | 0.0000 | |
| 575 | A | A | -1.7366 | |
| 576 | K | A | -2.8135 | |
| 577 | K | A | -1.9681 | |
| 578 | V | A | 0.0000 | |
| 579 | N | A | -1.7908 | |
| 580 | E | A | -2.6184 | |
| 581 | I | A | -0.7607 | |
| 582 | L | A | 0.0000 | |
| 583 | Q | A | -1.6394 | |
| 584 | A | A | -0.7760 | |
| 585 | D | A | -1.2710 | |
| 586 | A | A | -0.6094 | |
| 587 | I | A | 0.5614 | |
| 588 | N | A | -1.3788 | |
| 589 | G | A | -1.8735 | |
| 590 | T | A | -2.0820 | |
| 591 | D | A | -2.8713 | |
| 592 | N | A | -1.9548 | |
| 593 | E | A | -1.2383 | |
| 594 | V | A | 0.8606 | |
| 595 | V | A | 0.5660 | |
| 596 | T | A | 0.2238 | |
| 597 | V | A | 0.3626 | |
| 598 | T | A | 0.0224 | |
| 599 | D | A | 0.0000 | |
| 600 | E | A | -1.1624 | |
| 601 | N | A | -1.3903 | |
| 602 | T | A | -1.1637 | |
| 603 | G | A | -0.9988 | |
| 604 | E | A | -0.5446 | |
| 605 | I | A | 0.9694 | |
| 606 | S | A | 0.1713 | |
| 607 | E | A | -0.7483 | |
| 608 | K | A | 0.2406 | |
| 609 | V | A | 0.9102 | |
| 610 | K | A | 0.0181 | |
| 611 | L | A | 0.1974 | |
| 612 | G | A | -1.3854 | |
| 613 | T | A | 0.0000 | |
| 614 | K | A | -2.1470 | |
| 615 | A | A | -0.8982 | |
| 616 | L | A | 0.0000 | |
| 617 | A | A | 0.0000 | |
| 618 | G | A | -0.2606 | |
| 619 | Q | A | 0.0957 | |
| 620 | W | A | 0.0000 | |
| 621 | L | A | 1.1342 | |
| 622 | A | A | 0.6044 | |
| 623 | H | A | 0.4564 | |
| 624 | G | A | 0.1062 | |
| 625 | V | A | -0.4691 | |
| 626 | T | A | -1.0971 | |
| 627 | R | A | -2.4120 | |
| 628 | S | A | -1.5254 | |
| 629 | V | A | 0.0000 | |
| 630 | T | A | 0.0000 | |
| 631 | K | A | -1.5419 | |
| 632 | R | A | -1.9057 | |
| 633 | S | A | 0.0000 | |
| 634 | V | A | 0.0000 | |
| 635 | M | A | 0.4419 | |
| 636 | T | A | 0.0915 | |
| 637 | L | A | 0.0000 | |
| 638 | A | A | 0.5329 | |
| 639 | Y | A | 0.6280 | |
| 640 | G | A | 0.0000 | |
| 641 | S | A | 0.0000 | |
| 642 | K | A | -0.5259 | |
| 643 | E | A | 0.0000 | |
| 644 | F | A | 0.7646 | |
| 645 | G | A | -0.3578 | |
| 646 | F | A | 0.0000 | |
| 647 | R | A | -0.9315 | |
| 648 | Q | A | -1.5496 | |
| 649 | Q | A | -1.7463 | |
| 650 | V | A | 0.0000 | |
| 651 | L | A | 0.0000 | |
| 652 | E | A | -2.5292 | |
| 653 | D | A | 0.0000 | |
| 654 | T | A | -0.7437 | |
| 655 | I | A | 0.0000 | |
| 656 | Q | A | -1.0279 | |
| 657 | P | A | -0.9737 | |
| 658 | A | A | -0.2120 | |
| 659 | I | A | 0.0000 | |
| 660 | D | A | -0.8384 | |
| 661 | S | A | -0.6551 | |
| 662 | G | A | -0.8216 | |
| 663 | K | A | -0.9321 | |
| 664 | G | A | -0.9561 | |
| 665 | P | A | -0.4600 | |
| 666 | M | A | 0.0000 | |
| 667 | F | A | 1.1424 | |
| 668 | T | A | -0.2144 | |
| 669 | Q | A | -0.6418 | |
| 670 | P | A | 0.0000 | |
| 671 | N | A | -0.9915 | |
| 672 | Q | A | -0.3215 | |
| 673 | A | A | 0.0000 | |
| 674 | A | A | 0.0000 | |
| 675 | G | A | 0.0000 | |
| 676 | Y | A | 0.0000 | |
| 677 | M | A | 0.0000 | |
| 678 | A | A | 0.0000 | |
| 679 | K | A | -0.3571 | |
| 680 | L | A | 0.0000 | |
| 681 | I | A | 0.0000 | |
| 682 | W | A | 0.0459 | |
| 683 | E | A | -0.3325 | |
| 684 | S | A | 0.0000 | |
| 685 | V | A | 0.0000 | |
| 686 | S | A | 0.9844 | |
| 687 | V | A | 2.1088 | |
| 688 | T | A | 1.2910 | |
| 689 | V | A | 0.0000 | |
| 690 | V | A | 1.9890 | |
| 691 | A | A | 0.1683 | |
| 692 | A | A | 0.0000 | |
| 693 | V | A | -0.0144 | |
| 694 | E | A | -1.4777 | |
| 695 | A | A | 0.0000 | |
| 696 | M | A | 0.0000 | |
| 697 | N | A | -1.3530 | |
| 698 | W | A | -0.7769 | |
| 699 | L | A | 0.0000 | |
| 700 | K | A | 0.0000 | |
| 701 | S | A | -0.7259 | |
| 702 | A | A | 0.0000 | |
| 703 | A | A | 0.0000 | |
| 704 | K | A | -1.6389 | |
| 705 | L | A | 0.0000 | |
| 706 | L | A | 0.0000 | |
| 707 | A | A | 0.0000 | |
| 708 | A | A | -1.7325 | |
| 709 | E | A | -2.0067 | |
| 710 | V | A | 0.0000 | |
| 711 | K | A | -1.5313 | |
| 712 | D | A | -2.8822 | |
| 713 | K | A | -3.7001 | |
| 714 | K | A | -3.8413 | |
| 715 | T | A | -2.2777 | |
| 716 | G | A | -1.6859 | |
| 717 | E | A | -1.6209 | |
| 718 | I | A | 0.3862 | |
| 719 | L | A | -0.1252 | |
| 720 | R | A | -2.4414 | |
| 721 | K | A | -3.3700 | |
| 722 | R | A | -3.0841 | |
| 723 | C | A | 0.0000 | |
| 724 | A | A | -0.3407 | |
| 725 | V | A | 0.0000 | |
| 726 | H | A | -0.1800 | |
| 727 | W | A | 0.0000 | |
| 728 | V | A | -0.3423 | |
| 729 | T | A | 0.0000 | |
| 730 | P | A | -0.4667 | |
| 731 | D | A | -0.7126 | |
| 732 | G | A | 0.0000 | |
| 733 | F | A | 0.0000 | |
| 734 | P | A | 0.0000 | |
| 735 | V | A | 0.0000 | |
| 736 | W | A | -0.4146 | |
| 737 | Q | A | 0.0000 | |
| 738 | E | A | 0.0000 | |
| 739 | Y | A | -0.9481 | |
| 740 | K | A | -2.0036 | |
| 741 | K | A | -2.7996 | |
| 742 | P | A | -2.3524 | |
| 743 | I | A | -1.8394 | |
| 744 | Q | A | -2.4448 | |
| 745 | T | A | -1.8637 | |
| 746 | R | A | -2.6940 | |
| 747 | L | A | 0.0000 | |
| 748 | N | A | -1.6596 | |
| 749 | L | A | 0.0000 | |
| 750 | M | A | 0.4193 | |
| 751 | F | A | 0.0000 | |
| 752 | L | A | 0.4919 | |
| 753 | G | A | -0.5488 | |
| 754 | Q | A | -0.7538 | |
| 755 | F | A | 0.7918 | |
| 756 | R | A | -1.2301 | |
| 757 | L | A | 0.0000 | |
| 758 | Q | A | -1.7624 | |
| 759 | P | A | 0.0000 | |
| 760 | T | A | -1.5960 | |
| 761 | I | A | 0.0000 | |
| 762 | N | A | -2.5287 | |
| 763 | T | A | 0.0000 | |
| 764 | N | A | -2.2287 | |
| 765 | K | A | -2.7481 | |
| 766 | D | A | -2.7026 | |
| 767 | S | A | -2.5516 | |
| 768 | E | A | -3.0617 | |
| 769 | I | A | -2.3936 | |
| 770 | D | A | -2.1315 | |
| 771 | A | A | -1.8322 | |
| 772 | H | A | -1.9663 | |
| 773 | K | A | -1.7733 | |
| 774 | Q | A | 0.0000 | |
| 775 | E | A | 0.0000 | |
| 776 | S | A | -1.0830 | |
| 777 | G | A | -0.5775 | |
| 778 | I | A | 0.0000 | |
| 779 | A | A | 0.0000 | |
| 780 | P | A | 0.0000 | |
| 781 | N | A | -0.6200 | |
| 782 | F | A | 0.0000 | |
| 783 | V | A | 0.0000 | |
| 784 | H | A | -0.6265 | |
| 785 | S | A | 0.0000 | |
| 786 | Q | A | 0.0000 | |
| 787 | D | A | 0.0000 | |
| 788 | G | A | 0.0000 | |
| 789 | S | A | 0.0000 | |
| 790 | H | A | 0.0000 | |
| 791 | L | A | 0.0000 | |
| 792 | R | A | 0.0000 | |
| 793 | K | A | -0.8011 | |
| 794 | T | A | 0.0000 | |
| 795 | V | A | 0.0000 | |
| 796 | V | A | -0.9979 | |
| 797 | W | A | -0.6941 | |
| 798 | A | A | 0.0000 | |
| 799 | H | A | -1.3938 | |
| 800 | E | A | -2.0075 | |
| 801 | K | A | -1.1590 | |
| 802 | Y | A | -0.2491 | |
| 803 | G | A | -0.7428 | |
| 804 | I | A | 0.0000 | |
| 805 | E | A | -1.3609 | |
| 806 | S | A | 0.0000 | |
| 807 | F | A | 0.0000 | |
| 808 | A | A | 0.1322 | |
| 809 | L | A | 0.3554 | |
| 810 | I | A | 0.4260 | |
| 811 | H | A | -0.3621 | |
| 812 | D | A | 0.0000 | |
| 813 | S | A | 0.0000 | |
| 814 | F | A | 0.0000 | |
| 815 | G | A | 0.0000 | |
| 816 | T | A | 0.0000 | |
| 817 | I | A | 0.0000 | |
| 818 | P | A | 0.0000 | |
| 819 | A | A | -0.8328 | |
| 820 | D | A | 0.0000 | |
| 821 | A | A | 0.0000 | |
| 822 | A | A | 0.0000 | |
| 823 | N | A | -0.8821 | |
| 824 | L | A | 0.0000 | |
| 825 | F | A | 0.0000 | |
| 826 | K | A | -1.2234 | |
| 827 | A | A | 0.0000 | |
| 828 | V | A | 0.0000 | |
| 829 | R | A | -1.3559 | |
| 830 | E | A | -1.2947 | |
| 831 | T | A | 0.0000 | |
| 832 | M | A | 0.0000 | |
| 833 | V | A | 0.0000 | |
| 834 | D | A | -1.8457 | |
| 835 | T | A | -1.5138 | |
| 836 | Y | A | 0.0000 | |
| 837 | E | A | -2.9813 | |
| 838 | S | A | -1.9082 | |
| 839 | C | A | -2.0051 | |
| 840 | D | A | -2.4371 | |
| 841 | V | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | A | A | -1.9478 | |
| 844 | D | A | -2.8332 | |
| 845 | F | A | 0.0000 | |
| 846 | Y | A | 0.0000 | |
| 847 | D | A | -3.1407 | |
| 848 | Q | A | -2.2352 | |
| 849 | F | A | 0.0000 | |
| 850 | A | A | 0.0000 | |
| 851 | D | A | -3.1787 | |
| 852 | Q | A | -2.4077 | |
| 853 | L | A | 0.0000 | |
| 854 | H | A | -3.2187 | |
| 855 | E | A | -4.3075 | |
| 856 | S | A | 0.0000 | |
| 857 | Q | A | -3.5266 | |
| 858 | L | A | 0.0000 | |
| 859 | D | A | -3.9242 | |
| 860 | K | A | -2.8394 | |
| 861 | M | A | -1.4303 | |
| 862 | P | A | -0.7295 | |
| 863 | A | A | -0.8252 | |
| 864 | L | A | 0.0000 | |
| 865 | P | A | -1.0719 | |
| 866 | A | A | -1.3835 | |
| 867 | K | A | -2.3720 | |
| 868 | G | A | -2.4088 | |
| 869 | N | A | -2.5768 | |
| 870 | L | A | 0.0000 | |
| 871 | N | A | -2.8939 | |
| 872 | L | A | 0.0000 | |
| 873 | R | A | -2.8109 | |
| 874 | D | A | -2.3220 | |
| 875 | I | A | 0.0000 | |
| 876 | L | A | -1.4979 | |
| 877 | E | A | -2.3689 | |
| 878 | S | A | 0.0000 | |
| 879 | D | A | -1.1161 | |
| 880 | F | A | 0.0000 | |
| 881 | A | A | 0.0000 | |
| 882 | F | A | -0.1416 | |
| 883 | A | A | 0.0000 |
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, -0.752 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_4 | -0.752 | View | CSV | PDB |
| model_2 | -0.7631 | View | CSV | PDB |
| model_0 | -0.7782 | View | CSV | PDB |
| model_1 | -0.7819 | View | CSV | PDB |
| model_6 | -0.7838 | View | CSV | PDB |
| model_11 | -0.7956 | View | CSV | PDB |
| model_8 | -0.8019 | View | CSV | PDB |
| CABS_average | -0.8026 | View | CSV | PDB |
| model_7 | -0.8082 | View | CSV | PDB |
| model_5 | -0.8243 | View | CSV | PDB |
| model_10 | -0.8388 | View | CSV | PDB |
| model_3 | -0.8446 | View | CSV | PDB |
| model_9 | -0.8594 | View | CSV | PDB |
| input | -0.9325 | 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