Project name: Q91WS2
Status: done
Started: 2025-03-15 18:45:30
| Chain sequence(s) |
A: MDAAGASCSSVDAVARELLMATLEELSQEQLKRFRHKLRDAPLDGRSIPWGRLERSDAVDLVDKLIEFYEPVPAVEMTRQVLKRSDIRDVASRLKQQQLQKLGPTSVLLSVSAFKKKYREHVLRQHAKVKERNARSVKINKRFTKLLIAPGTGAVEDELLGPLGEPEPERARRSDTHTFNRLFRGNDEESSQPLTVVLQGPAGIGKTMAAKKILYDWAAGKLYHSQVDFAFFMPCGELLERPGKRSLADLVLDQCPDRAWPVKRILAQPNRLLFILDGADELPTLPSSEATPCKDPLEATSGLRVLSGLLSQELLPGARLLVTTRHAATGRLQGRLCSPQCAEIRGFSDKDKKKYFFKFFRDERKAERAYRFVKENETLFALCFVPFVCWIVCTVLQQQLELGRDLSRTSKTTTSVYLLFITSMLKSAGTNGPRVQGELRTLCRLAREGILDHHKAQFSEEDLEKLKLRGSQVQTIFLNKKEIPGVLKTEVTYQFIDQSFQEFLAALSYLLEAERTPGTPAGGVQKLLNSDAELRGHLALTTRFLFGLLNTEGLRDIGNHFGCVVPDHVKKDTLRWVQGQSHPKGPPVGAKKTAELEDIEDAEEEEEEEEDLNFGLELLYCLYETQEEDFVRQALSSLPEIVLERVRLTRMDLEVLNYCVQCCPDGQALRLVSCGLVAAKEKKKKKKSLVKRLKGSQSTKKQPPVSLLRPLCETMTTPKCHLSVLILSHCRLPDAVCRDLSEALKVAPALRELGLLQSRLTNTGLRLLCEGLAWPKCQVKTLRMQLPDLQEVINYLVIVLQQSPVLTTLDLSGCQLPGVIVEPLCAALKHPKCSLKTLSLTSVELSENSLRDLQAVKTSKPDLSIIYSK
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. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] CABS: Running CABS flex simulation (00:15:33)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:40:12)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:40:19)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:40:26)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:40:33)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:40:40)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:40:47)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:40:54)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:41:01)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:41:08)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:41:15)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:41:22)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:41:29)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:41:36)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:41:52)
[INFO] Main: Simulation completed successfully. (02:41:58)
|
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
- -4.6817
- Maximal score value
- 1.8962
- Average score
- -0.8777
- Total score value
- -762.6799
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 | -1.1308 | |
| 2 | D | A | -1.9178 | |
| 3 | A | A | -1.1051 | |
| 4 | A | A | -0.6265 | |
| 5 | G | A | -0.3891 | |
| 6 | A | A | 0.0000 | |
| 7 | S | A | -0.0930 | |
| 8 | C | A | 0.1974 | |
| 9 | S | A | -0.0209 | |
| 10 | S | A | -0.0718 | |
| 11 | V | A | -0.1046 | |
| 12 | D | A | -0.5372 | |
| 13 | A | A | -0.6401 | |
| 14 | V | A | -0.5954 | |
| 15 | A | A | 0.0000 | |
| 16 | R | A | -1.4524 | |
| 17 | E | A | -1.8276 | |
| 18 | L | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | M | A | -0.7654 | |
| 21 | A | A | -1.2134 | |
| 22 | T | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | E | A | -2.4080 | |
| 25 | E | A | -3.0366 | |
| 26 | L | A | -2.3419 | |
| 27 | S | A | -2.3463 | |
| 28 | Q | A | -3.0904 | |
| 29 | E | A | -3.3537 | |
| 30 | Q | A | -2.9103 | |
| 31 | L | A | -2.9668 | |
| 32 | K | A | -3.4006 | |
| 33 | R | A | -3.3942 | |
| 34 | F | A | 0.0000 | |
| 35 | R | A | -3.0462 | |
| 36 | H | A | -2.6738 | |
| 37 | K | A | -2.6476 | |
| 38 | L | A | 0.0000 | |
| 39 | R | A | -2.9733 | |
| 40 | D | A | -2.3352 | |
| 41 | A | A | -1.8406 | |
| 42 | P | A | -1.5120 | |
| 43 | L | A | 0.0000 | |
| 44 | D | A | -2.5516 | |
| 45 | G | A | -1.8493 | |
| 46 | R | A | -1.9332 | |
| 47 | S | A | -1.2474 | |
| 48 | I | A | 0.0000 | |
| 49 | P | A | -0.5377 | |
| 50 | W | A | -1.0122 | |
| 51 | G | A | -2.0684 | |
| 52 | R | A | -3.3251 | |
| 53 | L | A | 0.0000 | |
| 54 | E | A | -3.7723 | |
| 55 | R | A | -3.2238 | |
| 56 | S | A | -2.4834 | |
| 57 | D | A | -2.5181 | |
| 58 | A | A | -1.1285 | |
| 59 | V | A | 0.1408 | |
| 60 | D | A | -1.5028 | |
| 61 | L | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | D | A | -1.3071 | |
| 64 | K | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | I | A | -1.0193 | |
| 67 | E | A | -1.7937 | |
| 68 | F | A | -0.6209 | |
| 69 | Y | A | -0.4992 | |
| 70 | E | A | -0.6327 | |
| 71 | P | A | -0.6091 | |
| 72 | V | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | E | A | 0.0000 | |
| 77 | M | A | 0.0000 | |
| 78 | T | A | 0.0000 | |
| 79 | R | A | -1.6581 | |
| 80 | Q | A | -2.3330 | |
| 81 | V | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | K | A | -4.1225 | |
| 84 | R | A | -3.4508 | |
| 85 | S | A | 0.0000 | |
| 86 | D | A | -4.0771 | |
| 87 | I | A | 0.0000 | |
| 88 | R | A | -4.4129 | |
| 89 | D | A | -3.8496 | |
| 90 | V | A | 0.0000 | |
| 91 | A | A | 0.0000 | |
| 92 | S | A | -2.6869 | |
| 93 | R | A | -2.5911 | |
| 94 | L | A | 0.0000 | |
| 95 | K | A | -2.0762 | |
| 96 | Q | A | -1.9835 | |
| 97 | Q | A | -1.4150 | |
| 98 | Q | A | 0.0000 | |
| 99 | L | A | -0.0810 | |
| 100 | Q | A | -1.2262 | |
| 101 | K | A | -0.9947 | |
| 102 | L | A | -0.0759 | |
| 103 | G | A | -0.2043 | |
| 104 | P | A | -0.1887 | |
| 105 | T | A | 0.0000 | |
| 106 | S | A | 0.0943 | |
| 107 | V | A | 0.7027 | |
| 108 | L | A | 0.5389 | |
| 109 | L | A | 0.4681 | |
| 110 | S | A | 0.1498 | |
| 111 | V | A | -0.3031 | |
| 112 | S | A | -1.2079 | |
| 113 | A | A | -0.8031 | |
| 114 | F | A | 0.0000 | |
| 115 | K | A | -2.2878 | |
| 116 | K | A | -2.8742 | |
| 117 | K | A | -2.6072 | |
| 118 | Y | A | 0.0000 | |
| 119 | R | A | -3.1931 | |
| 120 | E | A | -3.1625 | |
| 121 | H | A | -2.7809 | |
| 122 | V | A | 0.0000 | |
| 123 | L | A | -2.0398 | |
| 124 | R | A | -3.0786 | |
| 125 | Q | A | -2.5097 | |
| 126 | H | A | -1.7392 | |
| 127 | A | A | -2.1951 | |
| 128 | K | A | -2.9732 | |
| 129 | V | A | 0.0000 | |
| 130 | K | A | -3.4587 | |
| 131 | E | A | 0.0000 | |
| 132 | R | A | -3.3772 | |
| 133 | N | A | -2.1031 | |
| 134 | A | A | -2.2144 | |
| 135 | R | A | -3.6853 | |
| 136 | S | A | -2.8947 | |
| 137 | V | A | 0.0000 | |
| 138 | K | A | -2.6059 | |
| 139 | I | A | 0.0000 | |
| 140 | N | A | -1.6117 | |
| 141 | K | A | -2.1833 | |
| 142 | R | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | T | A | -1.0196 | |
| 145 | K | A | -1.2727 | |
| 146 | L | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | P | A | -0.6372 | |
| 151 | G | A | -0.6350 | |
| 152 | T | A | -0.3473 | |
| 153 | G | A | -0.4195 | |
| 154 | A | A | -0.0161 | |
| 155 | V | A | 0.2860 | |
| 156 | E | A | -1.3313 | |
| 157 | D | A | 0.0000 | |
| 158 | E | A | -0.1889 | |
| 159 | L | A | 1.1598 | |
| 160 | L | A | 0.9434 | |
| 161 | G | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | L | A | 0.2959 | |
| 164 | G | A | 0.0000 | |
| 165 | E | A | -0.6711 | |
| 166 | P | A | -0.4864 | |
| 167 | E | A | -1.3560 | |
| 168 | P | A | -1.8512 | |
| 169 | E | A | -2.9864 | |
| 170 | R | A | -3.2120 | |
| 171 | A | A | -2.1032 | |
| 172 | R | A | -2.2736 | |
| 173 | R | A | -2.6369 | |
| 174 | S | A | 0.0000 | |
| 175 | D | A | -1.8204 | |
| 176 | T | A | -0.7912 | |
| 177 | H | A | -1.0739 | |
| 178 | T | A | 0.0000 | |
| 179 | F | A | 0.0000 | |
| 180 | N | A | 0.0000 | |
| 181 | R | A | -2.4777 | |
| 182 | L | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | R | A | -2.2926 | |
| 185 | G | A | -2.1943 | |
| 186 | N | A | -2.7085 | |
| 187 | D | A | -2.9022 | |
| 188 | E | A | -3.4925 | |
| 189 | E | A | -3.2378 | |
| 190 | S | A | -1.6949 | |
| 191 | S | A | -1.6715 | |
| 192 | Q | A | -2.2033 | |
| 193 | P | A | -1.8498 | |
| 194 | L | A | 0.0000 | |
| 195 | T | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | Q | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | P | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | G | A | -0.3830 | |
| 204 | I | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | K | A | 0.0000 | |
| 207 | T | A | -0.4323 | |
| 208 | M | A | 0.0000 | |
| 209 | A | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | K | A | -0.5922 | |
| 212 | K | A | -0.7902 | |
| 213 | I | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | Y | A | -0.8183 | |
| 216 | D | A | -0.2559 | |
| 217 | W | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | A | A | -0.5598 | |
| 220 | G | A | -0.0075 | |
| 221 | K | A | 0.0000 | |
| 222 | L | A | 1.8962 | |
| 223 | Y | A | 1.5864 | |
| 224 | H | A | 0.7360 | |
| 225 | S | A | 0.1115 | |
| 226 | Q | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | D | A | 0.0000 | |
| 229 | F | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | F | A | 0.0188 | |
| 233 | M | A | 0.0000 | |
| 234 | P | A | -0.6240 | |
| 235 | C | A | -0.7518 | |
| 236 | G | A | -1.4932 | |
| 237 | E | A | -2.3170 | |
| 238 | L | A | 0.0000 | |
| 239 | L | A | -1.4757 | |
| 240 | E | A | -3.1368 | |
| 241 | R | A | -3.1196 | |
| 242 | P | A | -2.3652 | |
| 243 | G | A | -2.2762 | |
| 244 | K | A | -3.1638 | |
| 245 | R | A | -2.1356 | |
| 246 | S | A | -1.4433 | |
| 247 | L | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | D | A | -1.1063 | |
| 250 | L | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | L | A | -0.8177 | |
| 253 | D | A | -1.8321 | |
| 254 | Q | A | -0.9638 | |
| 255 | C | A | 0.0000 | |
| 256 | P | A | -1.1117 | |
| 257 | D | A | -1.1214 | |
| 258 | R | A | 0.0000 | |
| 259 | A | A | 0.0993 | |
| 260 | W | A | 0.1021 | |
| 261 | P | A | -0.4859 | |
| 262 | V | A | 0.0000 | |
| 263 | K | A | -1.2030 | |
| 264 | R | A | -1.0526 | |
| 265 | I | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | A | A | -1.0182 | |
| 268 | Q | A | -0.8598 | |
| 269 | P | A | -0.8737 | |
| 270 | N | A | -1.3079 | |
| 271 | R | A | -1.1397 | |
| 272 | L | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | F | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | D | A | -0.4572 | |
| 278 | G | A | -0.4562 | |
| 279 | A | A | 0.0000 | |
| 280 | D | A | 0.0000 | |
| 281 | E | A | -0.8212 | |
| 282 | L | A | 0.0000 | |
| 283 | P | A | 0.0000 | |
| 284 | T | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | P | A | 0.0000 | |
| 287 | S | A | -0.4748 | |
| 288 | S | A | -0.9464 | |
| 289 | E | A | -1.9722 | |
| 290 | A | A | -0.9601 | |
| 291 | T | A | -1.2649 | |
| 292 | P | A | -1.4717 | |
| 293 | C | A | 0.0000 | |
| 294 | K | A | -2.2139 | |
| 295 | D | A | -2.3217 | |
| 296 | P | A | -1.6209 | |
| 297 | L | A | -1.2982 | |
| 298 | E | A | -2.5023 | |
| 299 | A | A | -1.8799 | |
| 300 | T | A | 0.0000 | |
| 301 | S | A | -1.3410 | |
| 302 | G | A | 0.0000 | |
| 303 | L | A | -0.1672 | |
| 304 | R | A | -0.9178 | |
| 305 | V | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | S | A | 0.0000 | |
| 308 | G | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.4496 | |
| 312 | Q | A | 0.0000 | |
| 313 | E | A | -2.0797 | |
| 314 | L | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | P | A | -1.0882 | |
| 317 | G | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | R | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | R | A | -0.3735 | |
| 326 | H | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | -0.7423 | |
| 331 | R | A | -0.9533 | |
| 332 | L | A | 0.0000 | |
| 333 | Q | A | -0.7476 | |
| 334 | G | A | -0.7234 | |
| 335 | R | A | -0.3163 | |
| 336 | L | A | 0.4521 | |
| 337 | C | A | 0.0000 | |
| 338 | S | A | -1.2355 | |
| 339 | P | A | -0.8805 | |
| 340 | Q | A | -0.9940 | |
| 341 | C | A | -0.3278 | |
| 342 | A | A | 0.0000 | |
| 343 | E | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | R | A | 0.0000 | |
| 346 | G | A | 0.0000 | |
| 347 | F | A | -1.3306 | |
| 348 | S | A | -1.6513 | |
| 349 | D | A | -1.0015 | |
| 350 | K | A | -1.1016 | |
| 351 | D | A | 0.0000 | |
| 352 | K | A | 0.0000 | |
| 353 | K | A | -0.6901 | |
| 354 | K | A | -1.0289 | |
| 355 | Y | A | 0.0000 | |
| 356 | F | A | 0.0000 | |
| 357 | F | A | -1.5738 | |
| 358 | K | A | -1.7477 | |
| 359 | F | A | -1.0501 | |
| 360 | F | A | 0.0000 | |
| 361 | R | A | -3.3971 | |
| 362 | D | A | -3.3965 | |
| 363 | E | A | -3.9568 | |
| 364 | R | A | -3.9288 | |
| 365 | K | A | -3.3030 | |
| 366 | A | A | 0.0000 | |
| 367 | E | A | -3.0881 | |
| 368 | R | A | -2.7808 | |
| 369 | A | A | 0.0000 | |
| 370 | Y | A | 0.0000 | |
| 371 | R | A | -1.4849 | |
| 372 | F | A | -1.1028 | |
| 373 | V | A | 0.0000 | |
| 374 | K | A | 0.0000 | |
| 375 | E | A | 0.0000 | |
| 376 | N | A | 0.0000 | |
| 377 | E | A | -0.5245 | |
| 378 | T | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | F | A | 0.0000 | |
| 381 | A | A | -0.0085 | |
| 382 | L | A | 0.0000 | |
| 383 | C | A | 0.0000 | |
| 384 | F | A | 0.2183 | |
| 385 | V | A | 0.0000 | |
| 386 | P | A | 0.0000 | |
| 387 | F | A | 0.2295 | |
| 388 | V | A | 0.0000 | |
| 389 | C | A | 0.0000 | |
| 390 | W | A | 0.0000 | |
| 391 | I | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | C | A | 0.0000 | |
| 394 | T | A | -0.5871 | |
| 395 | V | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | Q | A | -1.0316 | |
| 398 | Q | A | -1.1011 | |
| 399 | Q | A | 0.0000 | |
| 400 | L | A | -0.9519 | |
| 401 | E | A | -1.4544 | |
| 402 | L | A | 0.2076 | |
| 403 | G | A | -0.6667 | |
| 404 | R | A | -1.0866 | |
| 405 | D | A | -1.5477 | |
| 406 | L | A | 0.0000 | |
| 407 | S | A | -1.3013 | |
| 408 | R | A | -2.2258 | |
| 409 | T | A | 0.0000 | |
| 410 | S | A | -0.8350 | |
| 411 | K | A | 0.0000 | |
| 412 | T | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | T | A | 0.0000 | |
| 415 | S | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | Y | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | F | A | 0.0000 | |
| 421 | I | A | 0.0000 | |
| 422 | T | A | -0.7544 | |
| 423 | S | A | -0.7640 | |
| 424 | M | A | -0.8161 | |
| 425 | L | A | 0.0000 | |
| 426 | K | A | -2.2047 | |
| 427 | S | A | -1.3120 | |
| 428 | A | A | -1.0991 | |
| 429 | G | A | -1.4691 | |
| 430 | T | A | 0.0000 | |
| 431 | N | A | -2.3480 | |
| 432 | G | A | -1.9231 | |
| 433 | P | A | -1.8196 | |
| 434 | R | A | -2.7265 | |
| 435 | V | A | 0.0000 | |
| 436 | Q | A | -1.8655 | |
| 437 | G | A | -1.7698 | |
| 438 | E | A | -2.1318 | |
| 439 | L | A | 0.0000 | |
| 440 | R | A | -1.1876 | |
| 441 | T | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | C | A | 0.0000 | |
| 444 | R | A | -0.8369 | |
| 445 | L | A | 0.0000 | |
| 446 | A | A | 0.0000 | |
| 447 | R | A | 0.0000 | |
| 448 | E | A | -1.2652 | |
| 449 | G | A | 0.0000 | |
| 450 | I | A | -0.7542 | |
| 451 | L | A | -0.9125 | |
| 452 | D | A | -1.7318 | |
| 453 | H | A | -1.5796 | |
| 454 | H | A | -1.4642 | |
| 455 | K | A | -0.9070 | |
| 456 | A | A | 0.0000 | |
| 457 | Q | A | -0.5896 | |
| 458 | F | A | 0.0000 | |
| 459 | S | A | -1.4357 | |
| 460 | E | A | -3.0273 | |
| 461 | E | A | -3.7043 | |
| 462 | D | A | -3.0951 | |
| 463 | L | A | -3.1316 | |
| 464 | E | A | -4.6017 | |
| 465 | K | A | -4.1079 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -3.5849 | |
| 468 | L | A | 0.0000 | |
| 469 | R | A | -3.1985 | |
| 470 | G | A | -1.8454 | |
| 471 | S | A | 0.0000 | |
| 472 | Q | A | -1.2564 | |
| 473 | V | A | 0.0000 | |
| 474 | Q | A | 0.0000 | |
| 475 | T | A | -0.4912 | |
| 476 | I | A | 0.4129 | |
| 477 | F | A | 0.0000 | |
| 478 | L | A | 0.1675 | |
| 479 | N | A | -0.5066 | |
| 480 | K | A | -1.0192 | |
| 481 | K | A | 0.0000 | |
| 482 | E | A | -0.8294 | |
| 483 | I | A | 0.0000 | |
| 484 | P | A | -0.0633 | |
| 485 | G | A | 0.0000 | |
| 486 | V | A | 1.2271 | |
| 487 | L | A | 1.1305 | |
| 488 | K | A | -0.6132 | |
| 489 | T | A | -0.7592 | |
| 490 | E | A | -0.7502 | |
| 491 | V | A | -0.9493 | |
| 492 | T | A | 0.0000 | |
| 493 | Y | A | 0.0000 | |
| 494 | Q | A | 0.0000 | |
| 495 | F | A | 0.0000 | |
| 496 | I | A | 0.3136 | |
| 497 | D | A | 0.0000 | |
| 498 | Q | A | -0.2027 | |
| 499 | S | A | 0.0000 | |
| 500 | F | A | 0.0000 | |
| 501 | Q | A | 0.0000 | |
| 502 | E | A | 0.0000 | |
| 503 | F | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | A | A | 0.0000 | |
| 506 | A | A | 0.0000 | |
| 507 | L | A | 0.0000 | |
| 508 | S | A | 0.0000 | |
| 509 | Y | A | 0.0000 | |
| 510 | L | A | 0.0000 | |
| 511 | L | A | 0.0000 | |
| 512 | E | A | -1.6626 | |
| 513 | A | A | -0.7792 | |
| 514 | E | A | 0.0000 | |
| 515 | R | A | -1.1724 | |
| 516 | T | A | -0.9342 | |
| 517 | P | A | -0.5014 | |
| 518 | G | A | -0.7975 | |
| 519 | T | A | -0.9154 | |
| 520 | P | A | -0.6445 | |
| 521 | A | A | 0.0000 | |
| 522 | G | A | -0.9641 | |
| 523 | G | A | -1.1037 | |
| 524 | V | A | 0.0000 | |
| 525 | Q | A | -2.2629 | |
| 526 | K | A | -2.5151 | |
| 527 | L | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | N | A | -2.4675 | |
| 530 | S | A | 0.0000 | |
| 531 | D | A | -2.1995 | |
| 532 | A | A | -1.8915 | |
| 533 | E | A | -2.2115 | |
| 534 | L | A | -0.6489 | |
| 535 | R | A | 0.0000 | |
| 536 | G | A | -0.8567 | |
| 537 | H | A | -0.8084 | |
| 538 | L | A | -0.2794 | |
| 539 | A | A | 0.0000 | |
| 540 | L | A | 0.0374 | |
| 541 | T | A | 0.0000 | |
| 542 | T | A | 0.0000 | |
| 543 | R | A | 0.0000 | |
| 544 | F | A | 0.0000 | |
| 545 | L | A | 0.0000 | |
| 546 | F | A | 0.0000 | |
| 547 | G | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | N | A | 0.0000 | |
| 551 | T | A | -0.6896 | |
| 552 | E | A | -0.7561 | |
| 553 | G | A | 0.0000 | |
| 554 | L | A | -0.4401 | |
| 555 | R | A | -1.3691 | |
| 556 | D | A | 0.0000 | |
| 557 | I | A | 0.0000 | |
| 558 | G | A | -0.9290 | |
| 559 | N | A | -1.7708 | |
| 560 | H | A | -1.5318 | |
| 561 | F | A | 0.0000 | |
| 562 | G | A | -0.3909 | |
| 563 | C | A | 0.0000 | |
| 564 | V | A | 0.8306 | |
| 565 | V | A | 0.0000 | |
| 566 | P | A | -1.1842 | |
| 567 | D | A | -2.5418 | |
| 568 | H | A | -2.9657 | |
| 569 | V | A | 0.0000 | |
| 570 | K | A | 0.0000 | |
| 571 | K | A | -3.0692 | |
| 572 | D | A | -2.6449 | |
| 573 | T | A | 0.0000 | |
| 574 | L | A | 0.0000 | |
| 575 | R | A | -3.2235 | |
| 576 | W | A | -2.0469 | |
| 577 | V | A | 0.0000 | |
| 578 | Q | A | -2.4992 | |
| 579 | G | A | -1.9656 | |
| 580 | Q | A | -2.2564 | |
| 581 | S | A | -1.8329 | |
| 582 | H | A | 0.0000 | |
| 583 | P | A | 0.0000 | |
| 584 | K | A | -1.8592 | |
| 585 | G | A | -0.8537 | |
| 586 | P | A | -0.1465 | |
| 587 | P | A | 0.3322 | |
| 588 | V | A | 1.5492 | |
| 589 | G | A | 0.4200 | |
| 590 | A | A | -0.4381 | |
| 591 | K | A | -1.2396 | |
| 592 | K | A | -2.2664 | |
| 593 | T | A | -1.5133 | |
| 594 | A | A | -1.6548 | |
| 595 | E | A | -2.1486 | |
| 596 | L | A | 0.0000 | |
| 597 | E | A | -2.2976 | |
| 598 | D | A | -2.2024 | |
| 599 | I | A | -0.0679 | |
| 600 | E | A | -1.9250 | |
| 601 | D | A | -1.9809 | |
| 602 | A | A | -1.3388 | |
| 603 | E | A | 0.0000 | |
| 604 | E | A | -3.5241 | |
| 605 | E | A | -4.1568 | |
| 606 | E | A | -4.6817 | |
| 607 | E | A | -4.3409 | |
| 608 | E | A | -3.8828 | |
| 609 | E | A | -3.6383 | |
| 610 | E | A | -2.4214 | |
| 611 | D | A | 0.0000 | |
| 612 | L | A | -0.9773 | |
| 613 | N | A | 0.0000 | |
| 614 | F | A | -0.1669 | |
| 615 | G | A | 0.0000 | |
| 616 | L | A | 0.0000 | |
| 617 | E | A | 0.0000 | |
| 618 | L | A | 0.0000 | |
| 619 | L | A | 0.0000 | |
| 620 | Y | A | 0.0000 | |
| 621 | C | A | 0.0000 | |
| 622 | L | A | 0.0000 | |
| 623 | Y | A | -0.1850 | |
| 624 | E | A | 0.0000 | |
| 625 | T | A | 0.0000 | |
| 626 | Q | A | -1.9560 | |
| 627 | E | A | -2.6700 | |
| 628 | E | A | -3.0435 | |
| 629 | D | A | -3.3295 | |
| 630 | F | A | 0.0000 | |
| 631 | V | A | 0.0000 | |
| 632 | R | A | -2.8330 | |
| 633 | Q | A | -2.5254 | |
| 634 | A | A | 0.0000 | |
| 635 | L | A | 0.0000 | |
| 636 | S | A | -1.5963 | |
| 637 | S | A | -1.1165 | |
| 638 | L | A | 0.0000 | |
| 639 | P | A | -0.8233 | |
| 640 | E | A | -0.8950 | |
| 641 | I | A | 0.0000 | |
| 642 | V | A | 0.0000 | |
| 643 | L | A | 0.0000 | |
| 644 | E | A | 0.0000 | |
| 645 | R | A | 0.0000 | |
| 646 | V | A | 0.0000 | |
| 647 | R | A | -1.4857 | |
| 648 | L | A | 0.0000 | |
| 649 | T | A | -0.8094 | |
| 650 | R | A | -1.0155 | |
| 651 | M | A | 0.0000 | |
| 652 | D | A | 0.0000 | |
| 653 | L | A | 0.0000 | |
| 654 | E | A | -0.4360 | |
| 655 | V | A | 0.0000 | |
| 656 | L | A | 0.0000 | |
| 657 | N | A | 0.0000 | |
| 658 | Y | A | 0.7522 | |
| 659 | C | A | 0.0000 | |
| 660 | V | A | 0.0000 | |
| 661 | Q | A | -0.7021 | |
| 662 | C | A | 0.0000 | |
| 663 | C | A | 0.0000 | |
| 664 | P | A | -1.3256 | |
| 665 | D | A | -2.6026 | |
| 666 | G | A | 0.0000 | |
| 667 | Q | A | -1.4733 | |
| 668 | A | A | 0.0000 | |
| 669 | L | A | 0.0000 | |
| 670 | R | A | -0.2377 | |
| 671 | L | A | 0.0000 | |
| 672 | V | A | 0.0000 | |
| 673 | S | A | 0.0000 | |
| 674 | C | A | 0.0000 | |
| 675 | G | A | 0.0000 | |
| 676 | L | A | 0.0000 | |
| 677 | V | A | -0.0408 | |
| 678 | A | A | -0.0748 | |
| 679 | A | A | -0.9454 | |
| 680 | K | A | -2.4893 | |
| 681 | E | A | -3.9303 | |
| 682 | K | A | -4.1102 | |
| 683 | K | A | -4.4430 | |
| 684 | K | A | -4.2657 | |
| 685 | K | A | -4.3449 | |
| 686 | K | A | -3.8802 | |
| 687 | K | A | -3.0434 | |
| 688 | S | A | -2.5717 | |
| 689 | L | A | 0.0000 | |
| 690 | V | A | -2.9417 | |
| 691 | K | A | -3.9206 | |
| 692 | R | A | -3.6370 | |
| 693 | L | A | -3.3077 | |
| 694 | K | A | -3.2139 | |
| 695 | G | A | -2.3087 | |
| 696 | S | A | -2.8070 | |
| 697 | Q | A | -2.7252 | |
| 698 | S | A | -1.6501 | |
| 699 | T | A | -2.2025 | |
| 700 | K | A | -1.6418 | |
| 701 | K | A | -1.6923 | |
| 702 | Q | A | -1.8431 | |
| 703 | P | A | -1.3269 | |
| 704 | P | A | -1.3361 | |
| 705 | V | A | 0.0000 | |
| 706 | S | A | 0.0000 | |
| 707 | L | A | 0.0000 | |
| 708 | L | A | 0.0000 | |
| 709 | R | A | -1.8743 | |
| 710 | P | A | -1.1405 | |
| 711 | L | A | -0.8092 | |
| 712 | C | A | 0.0000 | |
| 713 | E | A | -2.3521 | |
| 714 | T | A | 0.0000 | |
| 715 | M | A | 0.0000 | |
| 716 | T | A | -0.7735 | |
| 717 | T | A | -0.9684 | |
| 718 | P | A | 0.0000 | |
| 719 | K | A | -1.9758 | |
| 720 | C | A | -1.0874 | |
| 721 | H | A | -2.1196 | |
| 722 | L | A | 0.0000 | |
| 723 | S | A | 0.0000 | |
| 724 | V | A | 0.0000 | |
| 725 | L | A | 0.0000 | |
| 726 | I | A | 0.1247 | |
| 727 | L | A | 0.0000 | |
| 728 | S | A | 0.0000 | |
| 729 | H | A | 0.0000 | |
| 730 | C | A | 0.0000 | |
| 731 | R | A | 0.0000 | |
| 732 | L | A | 0.0000 | |
| 733 | P | A | -0.9205 | |
| 734 | D | A | -1.4710 | |
| 735 | A | A | -1.2687 | |
| 736 | V | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | R | A | -2.3173 | |
| 739 | D | A | -2.0962 | |
| 740 | L | A | 0.0000 | |
| 741 | S | A | 0.0000 | |
| 742 | E | A | -1.9548 | |
| 743 | A | A | 0.0000 | |
| 744 | L | A | 0.0000 | |
| 745 | K | A | -0.2527 | |
| 746 | V | A | 1.2145 | |
| 747 | A | A | 0.0000 | |
| 748 | P | A | -0.5585 | |
| 749 | A | A | -1.1247 | |
| 750 | L | A | 0.0000 | |
| 751 | R | A | -1.6303 | |
| 752 | E | A | -1.0743 | |
| 753 | L | A | 0.0000 | |
| 754 | G | A | 0.0000 | |
| 755 | L | A | 0.0000 | |
| 756 | L | A | -0.1572 | |
| 757 | Q | A | -0.7751 | |
| 758 | S | A | 0.0000 | |
| 759 | R | A | -1.6388 | |
| 760 | L | A | 0.0000 | |
| 761 | T | A | -1.5180 | |
| 762 | N | A | -1.9980 | |
| 763 | T | A | -1.1273 | |
| 764 | G | A | 0.0000 | |
| 765 | L | A | 0.0000 | |
| 766 | R | A | -1.2023 | |
| 767 | L | A | -0.6416 | |
| 768 | L | A | 0.0000 | |
| 769 | C | A | 0.0000 | |
| 770 | E | A | -0.7130 | |
| 771 | G | A | 0.0000 | |
| 772 | L | A | 0.0000 | |
| 773 | A | A | 0.0000 | |
| 774 | W | A | -0.5273 | |
| 775 | P | A | -1.0426 | |
| 776 | K | A | -2.0894 | |
| 777 | C | A | -1.1473 | |
| 778 | Q | A | -1.4342 | |
| 779 | V | A | 0.0000 | |
| 780 | K | A | -0.9136 | |
| 781 | T | A | 0.0000 | |
| 782 | L | A | 0.0000 | |
| 783 | R | A | -0.8429 | |
| 784 | M | A | 0.0000 | |
| 785 | Q | A | -0.8844 | |
| 786 | L | A | 0.0000 | |
| 787 | P | A | -1.5256 | |
| 788 | D | A | -2.6635 | |
| 789 | L | A | -2.2167 | |
| 790 | Q | A | -2.4441 | |
| 791 | E | A | -2.8798 | |
| 792 | V | A | 0.0000 | |
| 793 | I | A | 0.0000 | |
| 794 | N | A | -1.5114 | |
| 795 | Y | A | -0.4683 | |
| 796 | L | A | 0.0000 | |
| 797 | V | A | -0.1596 | |
| 798 | I | A | 0.1101 | |
| 799 | V | A | 0.0000 | |
| 800 | L | A | 0.0000 | |
| 801 | Q | A | -0.9184 | |
| 802 | Q | A | -0.9428 | |
| 803 | S | A | 0.0000 | |
| 804 | P | A | -0.2342 | |
| 805 | V | A | 0.9138 | |
| 806 | L | A | 0.0000 | |
| 807 | T | A | -0.5426 | |
| 808 | T | A | -0.6369 | |
| 809 | L | A | 0.0000 | |
| 810 | D | A | -0.3579 | |
| 811 | L | A | 0.0000 | |
| 812 | S | A | -0.6399 | |
| 813 | G | A | -1.0152 | |
| 814 | C | A | 0.0000 | |
| 815 | Q | A | -1.3661 | |
| 816 | L | A | 0.0000 | |
| 817 | P | A | -0.7088 | |
| 818 | G | A | -0.7195 | |
| 819 | V | A | 0.6598 | |
| 820 | I | A | 0.0000 | |
| 821 | V | A | 0.0000 | |
| 822 | E | A | -1.6151 | |
| 823 | P | A | -0.9405 | |
| 824 | L | A | 0.0000 | |
| 825 | C | A | -1.1774 | |
| 826 | A | A | -1.1062 | |
| 827 | A | A | 0.0000 | |
| 828 | L | A | 0.0000 | |
| 829 | K | A | -2.1550 | |
| 830 | H | A | -1.9303 | |
| 831 | P | A | -1.5423 | |
| 832 | K | A | -2.0058 | |
| 833 | C | A | -0.4738 | |
| 834 | S | A | -1.0750 | |
| 835 | L | A | 0.0000 | |
| 836 | K | A | -1.9569 | |
| 837 | T | A | -0.7962 | |
| 838 | L | A | 0.0000 | |
| 839 | S | A | 0.3291 | |
| 840 | L | A | 0.0000 | |
| 841 | T | A | -0.6125 | |
| 842 | S | A | -1.2880 | |
| 843 | V | A | -1.3944 | |
| 844 | E | A | -2.1062 | |
| 845 | L | A | -1.2096 | |
| 846 | S | A | -1.7111 | |
| 847 | E | A | -2.6389 | |
| 848 | N | A | -3.0619 | |
| 849 | S | A | 0.0000 | |
| 850 | L | A | -1.7284 | |
| 851 | R | A | -3.1890 | |
| 852 | D | A | -2.4520 | |
| 853 | L | A | -1.3494 | |
| 854 | Q | A | -2.0063 | |
| 855 | A | A | -1.7220 | |
| 856 | V | A | 0.0000 | |
| 857 | K | A | -2.2654 | |
| 858 | T | A | -1.7375 | |
| 859 | S | A | -2.1443 | |
| 860 | K | A | -3.1307 | |
| 861 | P | A | -2.3899 | |
| 862 | D | A | -3.1076 | |
| 863 | L | A | 0.0000 | |
| 864 | S | A | -1.3338 | |
| 865 | I | A | 0.0035 | |
| 866 | I | A | 1.5031 | |
| 867 | Y | A | 0.9015 | |
| 868 | S | A | -0.4515 | |
| 869 | K | A | -1.9132 |
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, -0.8777 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_1 | -0.8777 | View | CSV | PDB |
| model_2 | -0.889 | View | CSV | PDB |
| model_0 | -0.8996 | View | CSV | PDB |
| model_4 | -0.9121 | View | CSV | PDB |
| model_8 | -0.9171 | View | CSV | PDB |
| model_5 | -0.93 | View | CSV | PDB |
| CABS_average | -0.9328 | View | CSV | PDB |
| model_3 | -0.9394 | View | CSV | PDB |
| model_7 | -0.9409 | View | CSV | PDB |
| model_9 | -0.9488 | View | CSV | PDB |
| model_6 | -0.9717 | View | CSV | PDB |
| model_10 | -0.9746 | View | CSV | PDB |
| model_11 | -0.9926 | View | CSV | PDB |
| input | -1.0903 | 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