Project name: C41_A4_EF_DIRECT
Status: done
Started: 2026-07-21 11:00:00
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQSERSKPNNPAQYPAFSVTNPGVRLDDCGLTEARCKDISSALRVSERSKPNNPAQYPAFSVTNPGELNLRSNELGDVGVHCVLQGLQSERSKPNNPAQYPAFSVTNPGKLSLQNCCLTGAGCGVLSSTLRTSERSKPNNPAQYPAFSVTNPGELHLSDNLLGDAGLQLLCEGLLSERSKPNNPAQYPAFSVTNPGKLQLEYCSLSAASCEPLASVLRASERSKPNNPAQYPAFSVTNPGELTVSNNDINEAGVRVLCQGLKDSERSKPNNPAQYPAFSVTNPGALKLESCGVTSDNCRDLCGIVASSERSKPNNPAQYPAFSVTNPGELALGSNKLGDVGMAELCPGLLSERSKPNNPAQYPAFSVTNPGTLWIWECGITAKGCGDLCRVLRASERSKPNNPAQYPAFSVTNPGELSLAGNELGDEGARLLCETLLSERSKPNNPAQYPAFSVTNPGSLWVKSCSFTAACCSHFSSVLAQSERSKPNNPAQYPAFSVTNPGELQISNNRLEDAGVRELCQGLGSERSKPNNPAQYPAFSVTNPGVLWLADCDVSDSSCSSLAATLLASERSKPNNPAQYPAFSVTNPGELDLSNNCLGDAGILQLVESVRSERSKPNNPAQYPAFSVTNPGQLVLYDIYWSEEMEDRLQALEKDSERSKPNNPAQYPAFSVTNPGRVIS
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 (00:10:40)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:40:46)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:40:52)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:40:58)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:41:05)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:41:12)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:41:19)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:41:27)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:41:34)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:41:40)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:41:46)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:41:52)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:42:00)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:42:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:42:21)
[INFO] Main: Simulation completed successfully. (02:42:27)
|
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
- -3.6783
- Maximal score value
- 2.1635
- Average score
- -0.6718
- Total score value
- -473.6202
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 | -0.2181 | |
| 2 | L | A | -0.3359 | |
| 3 | D | A | -1.2510 | |
| 4 | I | A | 0.3777 | |
| 5 | Q | A | -0.5070 | |
| 6 | S | A | -0.5450 | |
| 7 | L | A | -0.8486 | |
| 8 | D | A | -2.2534 | |
| 9 | I | A | -1.6495 | |
| 10 | Q | A | -2.7808 | |
| 11 | C | A | -2.5615 | |
| 12 | E | A | -3.1053 | |
| 13 | E | A | -2.8616 | |
| 14 | L | A | -1.6451 | |
| 15 | S | A | -1.7862 | |
| 16 | D | A | -2.4166 | |
| 17 | A | A | -2.0284 | |
| 18 | R | A | -3.0481 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.7251 | |
| 21 | E | A | -2.3444 | |
| 22 | L | A | -1.2316 | |
| 23 | L | A | -0.4387 | |
| 24 | P | A | -0.4859 | |
| 25 | L | A | 0.1760 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.4637 | |
| 28 | S | A | -0.2076 | |
| 29 | E | A | -0.6585 | |
| 30 | R | A | -1.1351 | |
| 31 | S | A | -1.3383 | |
| 32 | K | A | -2.0694 | |
| 33 | P | A | -1.4806 | |
| 34 | N | A | -2.3246 | |
| 35 | N | A | -1.8539 | |
| 36 | P | A | 0.0000 | |
| 37 | A | A | -0.8584 | |
| 38 | Q | A | -0.9857 | |
| 39 | Y | A | 0.3051 | |
| 40 | P | A | 0.0068 | |
| 41 | A | A | 0.6094 | |
| 42 | F | A | 0.3970 | |
| 43 | S | A | -0.0061 | |
| 44 | V | A | 0.0000 | |
| 45 | T | A | -0.2420 | |
| 46 | N | A | 0.0000 | |
| 47 | P | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -1.8212 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -2.5589 | |
| 53 | D | A | -2.8845 | |
| 54 | C | A | -2.2876 | |
| 55 | G | A | -1.6466 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -1.3989 | |
| 58 | E | A | -2.2310 | |
| 59 | A | A | -1.6994 | |
| 60 | R | A | -1.5556 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -1.9000 | |
| 63 | D | A | -1.2958 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | S | A | -0.6493 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | R | A | -0.8373 | |
| 70 | V | A | 0.1402 | |
| 71 | S | A | 0.0000 | |
| 72 | E | A | 0.0000 | |
| 73 | R | A | -1.9710 | |
| 74 | S | A | -1.7898 | |
| 75 | K | A | -2.1772 | |
| 76 | P | A | -1.7170 | |
| 77 | N | A | 0.0000 | |
| 78 | N | A | -1.3425 | |
| 79 | P | A | -0.5961 | |
| 80 | A | A | -0.6145 | |
| 81 | Q | A | -1.0760 | |
| 82 | Y | A | 0.0000 | |
| 83 | P | A | 0.1023 | |
| 84 | A | A | 0.4221 | |
| 85 | F | A | 0.0000 | |
| 86 | S | A | -0.0031 | |
| 87 | V | A | 0.0000 | |
| 88 | T | A | -0.1755 | |
| 89 | N | A | 0.0000 | |
| 90 | P | A | 0.0000 | |
| 91 | G | A | -0.5634 | |
| 92 | E | A | -1.0422 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -2.4181 | |
| 97 | S | A | -2.0995 | |
| 98 | N | A | -2.2079 | |
| 99 | E | A | -2.4098 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -1.6154 | |
| 102 | D | A | -1.6946 | |
| 103 | V | A | 0.0611 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.7098 | |
| 107 | C | A | -0.8575 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -0.8548 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | Q | A | -1.0036 | |
| 114 | S | A | -1.4483 | |
| 115 | E | A | -2.2944 | |
| 116 | R | A | 0.0000 | |
| 117 | S | A | -1.5588 | |
| 118 | K | A | 0.0000 | |
| 119 | P | A | 0.0000 | |
| 120 | N | A | -2.4314 | |
| 121 | N | A | -1.9204 | |
| 122 | P | A | 0.0000 | |
| 123 | A | A | -0.9919 | |
| 124 | Q | A | -0.9588 | |
| 125 | Y | A | 0.2285 | |
| 126 | P | A | 0.0000 | |
| 127 | A | A | -0.1181 | |
| 128 | F | A | 0.0000 | |
| 129 | S | A | -0.1871 | |
| 130 | V | A | 0.0000 | |
| 131 | T | A | -0.1611 | |
| 132 | N | A | 0.0000 | |
| 133 | P | A | 0.0000 | |
| 134 | G | A | -0.7804 | |
| 135 | K | A | -1.1401 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.3590 | |
| 140 | N | A | -1.9034 | |
| 141 | C | A | 0.0000 | |
| 142 | C | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | -0.7707 | |
| 145 | G | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | G | A | -0.1143 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.2610 | |
| 150 | V | A | -0.0919 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | -0.5706 | |
| 153 | S | A | -0.7594 | |
| 154 | T | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -2.2567 | |
| 157 | T | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | E | A | -2.1709 | |
| 160 | R | A | -2.8275 | |
| 161 | S | A | -2.0387 | |
| 162 | K | A | 0.0000 | |
| 163 | P | A | -1.5729 | |
| 164 | N | A | -1.5654 | |
| 165 | N | A | -1.7873 | |
| 166 | P | A | -1.2615 | |
| 167 | A | A | -1.3870 | |
| 168 | Q | A | -1.3547 | |
| 169 | Y | A | 0.0000 | |
| 170 | P | A | -0.0327 | |
| 171 | A | A | -0.1354 | |
| 172 | F | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | T | A | -0.2524 | |
| 176 | N | A | 0.0000 | |
| 177 | P | A | -0.6138 | |
| 178 | G | A | -0.9332 | |
| 179 | E | A | -1.0406 | |
| 180 | L | A | 0.0000 | |
| 181 | H | A | -0.7535 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | D | A | -0.8215 | |
| 185 | N | A | -1.1390 | |
| 186 | L | A | -0.3374 | |
| 187 | L | A | -0.3047 | |
| 188 | G | A | -1.0245 | |
| 189 | D | A | -1.4490 | |
| 190 | A | A | -0.6586 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -0.9522 | |
| 194 | L | A | -0.1760 | |
| 195 | L | A | -0.2046 | |
| 196 | C | A | -0.5838 | |
| 197 | E | A | -1.6795 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | -0.7112 | |
| 200 | L | A | -1.0458 | |
| 201 | S | A | -2.0461 | |
| 202 | E | A | -2.7519 | |
| 203 | R | A | -2.1917 | |
| 204 | S | A | -1.5590 | |
| 205 | K | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | N | A | -1.1029 | |
| 208 | N | A | -1.0727 | |
| 209 | P | A | -0.6659 | |
| 210 | A | A | -0.1897 | |
| 211 | Q | A | 0.0000 | |
| 212 | Y | A | -0.0046 | |
| 213 | P | A | 0.0190 | |
| 214 | A | A | 0.0934 | |
| 215 | F | A | 0.0000 | |
| 216 | S | A | -0.0905 | |
| 217 | V | A | 0.0000 | |
| 218 | T | A | -0.2039 | |
| 219 | N | A | -0.3012 | |
| 220 | P | A | -0.4337 | |
| 221 | G | A | -0.8285 | |
| 222 | K | A | -1.0094 | |
| 223 | L | A | -0.4395 | |
| 224 | Q | A | -0.3755 | |
| 225 | L | A | 0.0557 | |
| 226 | E | A | -0.1730 | |
| 227 | Y | A | 0.2401 | |
| 228 | C | A | 0.0000 | |
| 229 | S | A | -1.2486 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.4443 | |
| 232 | A | A | -1.3369 | |
| 233 | A | A | -0.9479 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -1.7521 | |
| 237 | P | A | -1.0806 | |
| 238 | L | A | -0.5227 | |
| 239 | A | A | 0.0000 | |
| 240 | S | A | -1.1076 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | -1.6988 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | -1.0770 | |
| 246 | E | A | 0.0000 | |
| 247 | R | A | -2.5516 | |
| 248 | S | A | 0.0000 | |
| 249 | K | A | 0.0000 | |
| 250 | P | A | -1.2362 | |
| 251 | N | A | -1.0874 | |
| 252 | N | A | 0.0000 | |
| 253 | P | A | -0.4859 | |
| 254 | A | A | -0.2634 | |
| 255 | Q | A | 0.0000 | |
| 256 | Y | A | 0.2063 | |
| 257 | P | A | 0.0447 | |
| 258 | A | A | 0.0181 | |
| 259 | F | A | 0.0000 | |
| 260 | S | A | -0.1081 | |
| 261 | V | A | 0.0000 | |
| 262 | T | A | -0.1690 | |
| 263 | N | A | 0.0000 | |
| 264 | P | A | 0.0000 | |
| 265 | G | A | -0.6798 | |
| 266 | E | A | -0.9286 | |
| 267 | L | A | -0.4157 | |
| 268 | T | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | -0.8834 | |
| 271 | N | A | -1.4872 | |
| 272 | N | A | 0.0000 | |
| 273 | D | A | -2.7057 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -2.7025 | |
| 276 | E | A | -2.9524 | |
| 277 | A | A | -2.0719 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -3.2082 | |
| 281 | V | A | -1.7520 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.1379 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -1.7079 | |
| 288 | D | A | -2.0231 | |
| 289 | S | A | 0.0000 | |
| 290 | E | A | 0.0000 | |
| 291 | R | A | -2.0721 | |
| 292 | S | A | -1.6555 | |
| 293 | K | A | 0.0000 | |
| 294 | P | A | -1.1209 | |
| 295 | N | A | 0.0000 | |
| 296 | N | A | -0.9712 | |
| 297 | P | A | -0.8379 | |
| 298 | A | A | -0.2949 | |
| 299 | Q | A | -0.3829 | |
| 300 | Y | A | 0.0000 | |
| 301 | P | A | -0.1459 | |
| 302 | A | A | 0.2752 | |
| 303 | F | A | 0.0000 | |
| 304 | S | A | 0.2421 | |
| 305 | V | A | 0.0000 | |
| 306 | T | A | -0.0286 | |
| 307 | N | A | 0.0000 | |
| 308 | P | A | 0.0000 | |
| 309 | G | A | -0.4457 | |
| 310 | A | A | -0.5548 | |
| 311 | L | A | 0.0000 | |
| 312 | K | A | -0.4773 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -1.1418 | |
| 315 | S | A | -1.6809 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -2.0236 | |
| 318 | V | A | -1.8308 | |
| 319 | T | A | -1.5572 | |
| 320 | S | A | -1.4277 | |
| 321 | D | A | -2.8984 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.7941 | |
| 325 | D | A | -2.2915 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | -0.9640 | |
| 328 | G | A | -0.8785 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | A | A | -0.7110 | |
| 332 | S | A | 0.0000 | |
| 333 | S | A | 0.0000 | |
| 334 | E | A | 0.0000 | |
| 335 | R | A | -2.1350 | |
| 336 | S | A | 0.0000 | |
| 337 | K | A | 0.0000 | |
| 338 | P | A | -1.2747 | |
| 339 | N | A | -1.6072 | |
| 340 | N | A | 0.0000 | |
| 341 | P | A | -0.7491 | |
| 342 | A | A | -0.3791 | |
| 343 | Q | A | -0.4044 | |
| 344 | Y | A | 0.3586 | |
| 345 | P | A | 0.4936 | |
| 346 | A | A | 1.0354 | |
| 347 | F | A | 2.1635 | |
| 348 | S | A | 1.2175 | |
| 349 | V | A | 0.7678 | |
| 350 | T | A | -0.0827 | |
| 351 | N | A | 0.0000 | |
| 352 | P | A | 0.0000 | |
| 353 | G | A | -0.4517 | |
| 354 | E | A | -0.4646 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | -1.5798 | |
| 360 | N | A | -2.4428 | |
| 361 | K | A | -2.8514 | |
| 362 | L | A | 0.0000 | |
| 363 | G | A | -0.6600 | |
| 364 | D | A | -0.4540 | |
| 365 | V | A | 0.6204 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.2522 | |
| 369 | E | A | -1.0282 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.4536 | |
| 373 | G | A | -0.5000 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | -0.2826 | |
| 376 | S | A | -0.4546 | |
| 377 | E | A | 0.0000 | |
| 378 | R | A | -2.3929 | |
| 379 | S | A | 0.0000 | |
| 380 | K | A | 0.0000 | |
| 381 | P | A | 0.0000 | |
| 382 | N | A | -2.0066 | |
| 383 | N | A | 0.0000 | |
| 384 | P | A | -0.5361 | |
| 385 | A | A | -0.4979 | |
| 386 | Q | A | -0.7799 | |
| 387 | Y | A | 0.3233 | |
| 388 | P | A | 0.1655 | |
| 389 | A | A | 0.6654 | |
| 390 | F | A | 2.0702 | |
| 391 | S | A | 0.0000 | |
| 392 | V | A | 0.8340 | |
| 393 | T | A | 0.0000 | |
| 394 | N | A | -0.5981 | |
| 395 | P | A | -0.4331 | |
| 396 | G | A | -0.5117 | |
| 397 | T | A | -0.2708 | |
| 398 | L | A | 0.2024 | |
| 399 | W | A | 0.4026 | |
| 400 | I | A | 0.0000 | |
| 401 | W | A | -0.2283 | |
| 402 | E | A | -1.7857 | |
| 403 | C | A | 0.0000 | |
| 404 | G | A | -1.2947 | |
| 405 | I | A | 0.0000 | |
| 406 | T | A | -1.5305 | |
| 407 | A | A | -1.9051 | |
| 408 | K | A | -1.8076 | |
| 409 | G | A | 0.0000 | |
| 410 | C | A | 0.0000 | |
| 411 | G | A | -1.2090 | |
| 412 | D | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | C | A | -1.2120 | |
| 415 | R | A | -1.3267 | |
| 416 | V | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | R | A | -3.0808 | |
| 419 | A | A | -1.9529 | |
| 420 | S | A | 0.0000 | |
| 421 | E | A | 0.0000 | |
| 422 | R | A | -2.8562 | |
| 423 | S | A | -1.7488 | |
| 424 | K | A | 0.0000 | |
| 425 | P | A | -1.1408 | |
| 426 | N | A | -1.6885 | |
| 427 | N | A | -1.3489 | |
| 428 | P | A | -0.7788 | |
| 429 | A | A | -0.6166 | |
| 430 | Q | A | -0.4356 | |
| 431 | Y | A | 0.0000 | |
| 432 | P | A | 0.1131 | |
| 433 | A | A | 0.6814 | |
| 434 | F | A | 0.0000 | |
| 435 | S | A | 0.3447 | |
| 436 | V | A | 0.0000 | |
| 437 | T | A | -0.1971 | |
| 438 | N | A | 0.0000 | |
| 439 | P | A | 0.0000 | |
| 440 | G | A | -0.4639 | |
| 441 | E | A | -0.3665 | |
| 442 | L | A | 0.0000 | |
| 443 | S | A | 0.2156 | |
| 444 | L | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | G | A | -1.5188 | |
| 447 | N | A | -1.9532 | |
| 448 | E | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | G | A | -2.1373 | |
| 451 | D | A | -3.0918 | |
| 452 | E | A | -3.3642 | |
| 453 | G | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | R | A | -3.0510 | |
| 456 | L | A | -2.0402 | |
| 457 | L | A | 0.0000 | |
| 458 | C | A | 0.0000 | |
| 459 | E | A | -2.5609 | |
| 460 | T | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | L | A | -0.8852 | |
| 463 | S | A | -2.0631 | |
| 464 | E | A | -3.0714 | |
| 465 | R | A | -2.4762 | |
| 466 | S | A | 0.0000 | |
| 467 | K | A | -1.2398 | |
| 468 | P | A | 0.0000 | |
| 469 | N | A | -1.3130 | |
| 470 | N | A | 0.0000 | |
| 471 | P | A | -0.6450 | |
| 472 | A | A | -0.2101 | |
| 473 | Q | A | -0.3516 | |
| 474 | Y | A | 0.1190 | |
| 475 | P | A | 0.0000 | |
| 476 | A | A | 0.0920 | |
| 477 | F | A | 0.0000 | |
| 478 | S | A | -0.2112 | |
| 479 | V | A | 0.0000 | |
| 480 | T | A | -0.2183 | |
| 481 | N | A | 0.0000 | |
| 482 | P | A | 0.0000 | |
| 483 | G | A | -0.4235 | |
| 484 | S | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | W | A | -0.0089 | |
| 487 | V | A | 0.0000 | |
| 488 | K | A | -1.3394 | |
| 489 | S | A | -1.7070 | |
| 490 | C | A | 0.0000 | |
| 491 | S | A | -1.7928 | |
| 492 | F | A | 0.0000 | |
| 493 | T | A | -1.8809 | |
| 494 | A | A | -1.4887 | |
| 495 | A | A | -0.9600 | |
| 496 | C | A | 0.0000 | |
| 497 | C | A | 0.0000 | |
| 498 | S | A | -1.1068 | |
| 499 | H | A | -1.2708 | |
| 500 | F | A | 0.0000 | |
| 501 | S | A | -0.8390 | |
| 502 | S | A | -0.6580 | |
| 503 | V | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | A | A | -0.3198 | |
| 506 | Q | A | 0.0000 | |
| 507 | S | A | -0.4915 | |
| 508 | E | A | -0.9296 | |
| 509 | R | A | 0.0000 | |
| 510 | S | A | -1.1149 | |
| 511 | K | A | -1.8862 | |
| 512 | P | A | -1.5165 | |
| 513 | N | A | -1.7524 | |
| 514 | N | A | -2.0285 | |
| 515 | P | A | 0.0000 | |
| 516 | A | A | -0.8866 | |
| 517 | Q | A | -1.2873 | |
| 518 | Y | A | 0.0000 | |
| 519 | P | A | 0.0000 | |
| 520 | A | A | 0.0302 | |
| 521 | F | A | 0.0000 | |
| 522 | S | A | -0.2107 | |
| 523 | V | A | 0.0000 | |
| 524 | T | A | -0.2404 | |
| 525 | N | A | 0.0000 | |
| 526 | P | A | 0.0000 | |
| 527 | G | A | -0.4559 | |
| 528 | E | A | -0.5421 | |
| 529 | L | A | 0.0000 | |
| 530 | Q | A | -0.2427 | |
| 531 | I | A | 0.0000 | |
| 532 | S | A | -1.2737 | |
| 533 | N | A | -2.1746 | |
| 534 | N | A | -2.4543 | |
| 535 | R | A | -3.0016 | |
| 536 | L | A | 0.0000 | |
| 537 | E | A | -3.2264 | |
| 538 | D | A | -2.5918 | |
| 539 | A | A | -1.7441 | |
| 540 | G | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | R | A | -2.8515 | |
| 543 | E | A | -2.1544 | |
| 544 | L | A | 0.0000 | |
| 545 | C | A | 0.0000 | |
| 546 | Q | A | -1.9180 | |
| 547 | G | A | -1.2008 | |
| 548 | L | A | 0.0000 | |
| 549 | G | A | -0.4532 | |
| 550 | S | A | -0.4311 | |
| 551 | E | A | 0.0000 | |
| 552 | R | A | -0.4541 | |
| 553 | S | A | 0.0000 | |
| 554 | K | A | -1.0317 | |
| 555 | P | A | 0.0000 | |
| 556 | N | A | 0.0000 | |
| 557 | N | A | -1.0720 | |
| 558 | P | A | -0.9118 | |
| 559 | A | A | -0.7444 | |
| 560 | Q | A | -1.5196 | |
| 561 | Y | A | 0.0000 | |
| 562 | P | A | -0.3479 | |
| 563 | A | A | -0.0752 | |
| 564 | F | A | 0.0000 | |
| 565 | S | A | -0.2764 | |
| 566 | V | A | 0.0000 | |
| 567 | T | A | -0.2122 | |
| 568 | N | A | 0.0000 | |
| 569 | P | A | 0.0000 | |
| 570 | G | A | -0.3840 | |
| 571 | V | A | -0.3418 | |
| 572 | L | A | 0.0000 | |
| 573 | W | A | -0.0076 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | 0.0000 | |
| 576 | D | A | -1.9473 | |
| 577 | C | A | 0.0000 | |
| 578 | D | A | -1.9176 | |
| 579 | V | A | 0.0000 | |
| 580 | S | A | -1.1510 | |
| 581 | D | A | -1.6431 | |
| 582 | S | A | -1.4284 | |
| 583 | S | A | 0.0000 | |
| 584 | C | A | 0.0000 | |
| 585 | S | A | -0.9092 | |
| 586 | S | A | -1.0296 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | 0.0000 | |
| 589 | A | A | 0.3347 | |
| 590 | T | A | 0.0000 | |
| 591 | L | A | 0.0000 | |
| 592 | L | A | 1.1770 | |
| 593 | A | A | 0.5241 | |
| 594 | S | A | 0.0000 | |
| 595 | E | A | 0.0000 | |
| 596 | R | A | -0.9813 | |
| 597 | S | A | -0.3997 | |
| 598 | K | A | -0.6634 | |
| 599 | P | A | -0.6992 | |
| 600 | N | A | -0.7965 | |
| 601 | N | A | -0.9234 | |
| 602 | P | A | -0.8156 | |
| 603 | A | A | -0.7151 | |
| 604 | Q | A | -0.7756 | |
| 605 | Y | A | 0.0000 | |
| 606 | P | A | -0.5082 | |
| 607 | A | A | -0.1089 | |
| 608 | F | A | 0.0000 | |
| 609 | S | A | -0.1908 | |
| 610 | V | A | 0.0000 | |
| 611 | T | A | -0.1939 | |
| 612 | N | A | 0.0000 | |
| 613 | P | A | 0.0000 | |
| 614 | G | A | -0.5397 | |
| 615 | E | A | -0.8620 | |
| 616 | L | A | 0.0000 | |
| 617 | D | A | 0.0000 | |
| 618 | L | A | 0.0000 | |
| 619 | S | A | 0.0000 | |
| 620 | N | A | -0.6362 | |
| 621 | N | A | -0.9973 | |
| 622 | C | A | 0.0000 | |
| 623 | L | A | 1.0406 | |
| 624 | G | A | 0.2919 | |
| 625 | D | A | 0.1518 | |
| 626 | A | A | -0.1127 | |
| 627 | G | A | 0.0000 | |
| 628 | I | A | 0.0000 | |
| 629 | L | A | -1.0680 | |
| 630 | Q | A | -1.3741 | |
| 631 | L | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | E | A | -2.3256 | |
| 634 | S | A | 0.0000 | |
| 635 | V | A | 0.0000 | |
| 636 | R | A | -2.8958 | |
| 637 | S | A | 0.0000 | |
| 638 | E | A | -2.9761 | |
| 639 | R | A | -2.7515 | |
| 640 | S | A | 0.0000 | |
| 641 | K | A | 0.0000 | |
| 642 | P | A | -1.4119 | |
| 643 | N | A | -1.2655 | |
| 644 | N | A | 0.0000 | |
| 645 | P | A | -1.0413 | |
| 646 | A | A | -1.1217 | |
| 647 | Q | A | -1.6532 | |
| 648 | Y | A | 0.0000 | |
| 649 | P | A | -0.5983 | |
| 650 | A | A | -0.2088 | |
| 651 | F | A | 0.0000 | |
| 652 | S | A | -0.1915 | |
| 653 | V | A | 0.0000 | |
| 654 | T | A | -0.2247 | |
| 655 | N | A | 0.0000 | |
| 656 | P | A | 0.0000 | |
| 657 | G | A | -0.9105 | |
| 658 | Q | A | -0.9312 | |
| 659 | L | A | 0.0000 | |
| 660 | V | A | 0.0000 | |
| 661 | L | A | 0.0000 | |
| 662 | Y | A | 0.5856 | |
| 663 | D | A | -0.7426 | |
| 664 | I | A | 0.9171 | |
| 665 | Y | A | 1.8187 | |
| 666 | W | A | 0.4248 | |
| 667 | S | A | -1.4137 | |
| 668 | E | A | -3.2264 | |
| 669 | E | A | -3.2931 | |
| 670 | M | A | 0.0000 | |
| 671 | E | A | -3.2648 | |
| 672 | D | A | -3.5042 | |
| 673 | R | A | -3.2695 | |
| 674 | L | A | 0.0000 | |
| 675 | Q | A | -2.7952 | |
| 676 | A | A | -2.3358 | |
| 677 | L | A | 0.0000 | |
| 678 | E | A | -3.4053 | |
| 679 | K | A | -3.6719 | |
| 680 | D | A | -3.1924 | |
| 681 | S | A | -3.5036 | |
| 682 | E | A | -3.6783 | |
| 683 | R | A | -3.6575 | |
| 684 | S | A | -1.9661 | |
| 685 | K | A | -1.9862 | |
| 686 | P | A | -1.1758 | |
| 687 | N | A | -1.3138 | |
| 688 | N | A | -1.3189 | |
| 689 | P | A | -0.9790 | |
| 690 | A | A | -1.0482 | |
| 691 | Q | A | -1.7651 | |
| 692 | Y | A | 0.0000 | |
| 693 | P | A | -0.7013 | |
| 694 | A | A | -0.6225 | |
| 695 | F | A | 0.0000 | |
| 696 | S | A | -0.5819 | |
| 697 | V | A | 0.0000 | |
| 698 | T | A | -0.9339 | |
| 699 | N | A | 0.0000 | |
| 700 | P | A | 0.0000 | |
| 701 | G | A | -2.1308 | |
| 702 | R | A | -1.8873 | |
| 703 | V | A | -0.6543 | |
| 704 | I | A | 0.7418 | |
| 705 | S | A | 0.1882 |
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, -0.6718 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_6 | -0.6718 | View | CSV | PDB |
| model_5 | -0.701 | View | CSV | PDB |
| model_8 | -0.7431 | View | CSV | PDB |
| model_1 | -0.7456 | View | CSV | PDB |
| model_0 | -0.7489 | View | CSV | PDB |
| CABS_average | -0.7507 | View | CSV | PDB |
| model_2 | -0.7524 | View | CSV | PDB |
| model_11 | -0.7535 | View | CSV | PDB |
| model_10 | -0.7564 | View | CSV | PDB |
| model_3 | -0.7565 | View | CSV | PDB |
| model_9 | -0.7721 | View | CSV | PDB |
| model_4 | -0.7973 | View | CSV | PDB |
| model_7 | -0.81 | View | CSV | PDB |
| input | -0.8945 | 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