Project name: C18_A6_GH_A16_EF_GSG
Status: done
Started: 2026-07-21 11:05:15
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGYPTFGEHKQATNLQYGQCGSGVRLDDCGLTEARCKDISSALRVGSGYPTFGEHKQATNLQYGQCGSGELNLRSNELGDVGVHCVLQGLQGSGYPTFGEHKQATNLQYGQCGSGKLSLQNCCLTGAGCGVLSSTLRTGSGYPTFGEHKQATNLQYGQCGSGELHLSDNLLGDAGLQLLCEGLLGSGYPTFGEHKQATNLQYGQCGSGKLQLEYCSLSAASCEPLASVLRAGSGYPTFGEHKQATNLQYGQCGSGELTVSNNDINEAGVRVLCQGLKDGSGYPTFGEHKQATNLQYGQCGSGALKLESCGVTSDNCRDLCGIVASGSGYPTFGEHKQATNLQYGQCGSGELALGSNKLGDVGMAELCPGLLGSGTGNENSHPPYATTGSGTLWIWECGITAKGCGDLCRVLRAGSGTGNENSHPPYATTGSGELSLAGNELGDEGARLLCETLLGSGTGNENSHPPYATTGSGSLWVKSCSFTAACCSHFSSVLAQGSGTGNENSHPPYATTGSGELQISNNRLEDAGVRELCQGLGGSGTGNENSHPPYATTGSGVLWLADCDVSDSSCSSLAATLLAGSGTGNENSHPPYATTGSGELDLSNNCLGDAGILQLVESVRGSGTGNENSHPPYATTGSGQLVLYDIYWSEEMEDRLQALEKDGSGTGNENSHPPYATTGSGRVIS
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 (00:00:00)
[INFO] CABS: Running CABS flex simulation (00:09:31)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:23:07)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:23:13)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:23:18)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:23:23)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:23:29)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:23:34)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:23:39)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:23:45)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:23:50)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:23:55)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:24:00)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:24:05)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:24:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:24:23)
[INFO] Main: Simulation completed successfully. (02:24:28)
|
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
- -4.117
- Maximal score value
- 1.5802
- Average score
- -0.6505
- Total score value
- -463.8416
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 | -0.3112 | |
| 2 | L | A | 0.2134 | |
| 3 | D | A | -0.2143 | |
| 4 | I | A | 0.3353 | |
| 5 | Q | A | 0.0000 | |
| 6 | S | A | -0.5280 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.5082 | |
| 9 | I | A | -2.3703 | |
| 10 | Q | A | -3.1798 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.4215 | |
| 13 | E | A | -2.6013 | |
| 14 | L | A | -1.0146 | |
| 15 | S | A | -1.7045 | |
| 16 | D | A | -2.5367 | |
| 17 | A | A | -1.6432 | |
| 18 | R | A | -2.4970 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5927 | |
| 21 | E | A | -2.2554 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.7597 | |
| 24 | P | A | -0.7823 | |
| 25 | L | A | -0.3447 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.1556 | |
| 28 | G | A | -0.7973 | |
| 29 | S | A | -0.2573 | |
| 30 | G | A | 0.0392 | |
| 31 | Y | A | 0.9383 | |
| 32 | P | A | 0.0000 | |
| 33 | T | A | 0.0000 | |
| 34 | F | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | E | A | 0.0000 | |
| 37 | H | A | -0.7343 | |
| 38 | K | A | -1.5687 | |
| 39 | Q | A | -2.1085 | |
| 40 | A | A | 0.0000 | |
| 41 | T | A | -1.4416 | |
| 42 | N | A | -2.0122 | |
| 43 | L | A | -1.3657 | |
| 44 | Q | A | -1.1724 | |
| 45 | Y | A | 0.1890 | |
| 46 | G | A | -0.3645 | |
| 47 | Q | A | -0.7944 | |
| 48 | C | A | -0.4196 | |
| 49 | G | A | -0.3696 | |
| 50 | S | A | -0.1902 | |
| 51 | G | A | 0.0000 | |
| 52 | V | A | 0.0000 | |
| 53 | R | A | -2.6721 | |
| 54 | L | A | 0.0000 | |
| 55 | D | A | -3.0818 | |
| 56 | D | A | -3.5035 | |
| 57 | C | A | 0.0000 | |
| 58 | G | A | -2.5844 | |
| 59 | L | A | 0.0000 | |
| 60 | T | A | -1.8999 | |
| 61 | E | A | -2.3261 | |
| 62 | A | A | -1.7699 | |
| 63 | R | A | -1.9233 | |
| 64 | C | A | 0.0000 | |
| 65 | K | A | -2.5517 | |
| 66 | D | A | -1.9001 | |
| 67 | I | A | 0.0000 | |
| 68 | S | A | 0.0000 | |
| 69 | S | A | -1.1473 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | R | A | -1.5220 | |
| 73 | V | A | 0.6050 | |
| 74 | G | A | 0.4419 | |
| 75 | S | A | 0.1918 | |
| 76 | G | A | 0.0000 | |
| 77 | Y | A | 1.5802 | |
| 78 | P | A | 0.0000 | |
| 79 | T | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | E | A | 0.0000 | |
| 83 | H | A | -0.7845 | |
| 84 | K | A | 0.0000 | |
| 85 | Q | A | -1.9967 | |
| 86 | A | A | 0.0000 | |
| 87 | T | A | -1.2663 | |
| 88 | N | A | -1.7191 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | -1.2346 | |
| 91 | Y | A | -0.3424 | |
| 92 | G | A | 0.0000 | |
| 93 | Q | A | -0.5320 | |
| 94 | C | A | 0.0000 | |
| 95 | G | A | -0.4775 | |
| 96 | S | A | 0.0000 | |
| 97 | G | A | -0.5287 | |
| 98 | E | A | -1.0698 | |
| 99 | L | A | 0.0000 | |
| 100 | N | A | -1.6648 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -2.6830 | |
| 103 | S | A | -2.4662 | |
| 104 | N | A | -2.7640 | |
| 105 | E | A | -3.0828 | |
| 106 | L | A | 0.0000 | |
| 107 | G | A | -0.9919 | |
| 108 | D | A | -0.2880 | |
| 109 | V | A | 0.6961 | |
| 110 | G | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | H | A | -0.4253 | |
| 113 | C | A | -1.0775 | |
| 114 | V | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | -1.1023 | |
| 117 | G | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | Q | A | -0.6101 | |
| 120 | G | A | 0.0000 | |
| 121 | S | A | -0.5600 | |
| 122 | G | A | 0.1874 | |
| 123 | Y | A | 0.9067 | |
| 124 | P | A | 0.0000 | |
| 125 | T | A | 0.0000 | |
| 126 | F | A | 0.0000 | |
| 127 | G | A | 0.0000 | |
| 128 | E | A | 0.0000 | |
| 129 | H | A | -0.6098 | |
| 130 | K | A | 0.0000 | |
| 131 | Q | A | -1.7606 | |
| 132 | A | A | 0.0000 | |
| 133 | T | A | -0.8590 | |
| 134 | N | A | -1.1784 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -0.6757 | |
| 137 | Y | A | 0.1613 | |
| 138 | G | A | 0.0000 | |
| 139 | Q | A | -0.4775 | |
| 140 | C | A | -0.4100 | |
| 141 | G | A | -0.4631 | |
| 142 | S | A | 0.0000 | |
| 143 | G | A | 0.0000 | |
| 144 | K | A | -1.1541 | |
| 145 | L | A | 0.0000 | |
| 146 | S | A | -0.8718 | |
| 147 | L | A | 0.0000 | |
| 148 | Q | A | -1.4382 | |
| 149 | N | A | -1.8598 | |
| 150 | C | A | 0.0000 | |
| 151 | C | A | -0.9724 | |
| 152 | L | A | 0.0000 | |
| 153 | T | A | -0.4504 | |
| 154 | G | A | -0.4047 | |
| 155 | A | A | 0.1298 | |
| 156 | G | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | G | A | -0.2025 | |
| 159 | V | A | -0.0648 | |
| 160 | L | A | 0.0000 | |
| 161 | S | A | 0.0000 | |
| 162 | S | A | -0.7076 | |
| 163 | T | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | R | A | -1.0898 | |
| 166 | T | A | -0.3778 | |
| 167 | G | A | -0.6593 | |
| 168 | S | A | -0.2437 | |
| 169 | G | A | 0.5984 | |
| 170 | Y | A | 1.3814 | |
| 171 | P | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | E | A | 0.0000 | |
| 176 | H | A | -0.5723 | |
| 177 | K | A | 0.0000 | |
| 178 | Q | A | -1.0775 | |
| 179 | A | A | 0.0000 | |
| 180 | T | A | -0.8070 | |
| 181 | N | A | -1.1157 | |
| 182 | L | A | 0.0000 | |
| 183 | Q | A | -0.7135 | |
| 184 | Y | A | 0.0103 | |
| 185 | G | A | 0.0000 | |
| 186 | Q | A | -0.5533 | |
| 187 | C | A | -0.3953 | |
| 188 | G | A | -0.4143 | |
| 189 | S | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | E | A | -0.9650 | |
| 192 | L | A | 0.0000 | |
| 193 | H | A | -0.6722 | |
| 194 | L | A | -0.4027 | |
| 195 | S | A | 0.0000 | |
| 196 | D | A | -1.3640 | |
| 197 | N | A | -1.4513 | |
| 198 | L | A | 0.0000 | |
| 199 | L | A | -0.6908 | |
| 200 | G | A | -0.8947 | |
| 201 | D | A | -1.1366 | |
| 202 | A | A | -0.6853 | |
| 203 | G | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.5356 | |
| 206 | L | A | -0.5806 | |
| 207 | L | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | E | A | -1.4075 | |
| 210 | G | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | L | A | 0.0983 | |
| 213 | G | A | -0.3220 | |
| 214 | S | A | 0.0000 | |
| 215 | G | A | 0.1102 | |
| 216 | Y | A | 0.7023 | |
| 217 | P | A | 0.4806 | |
| 218 | T | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | E | A | 0.0000 | |
| 222 | H | A | -0.4522 | |
| 223 | K | A | 0.0000 | |
| 224 | Q | A | -0.9528 | |
| 225 | A | A | 0.0000 | |
| 226 | T | A | -0.8374 | |
| 227 | N | A | -1.4576 | |
| 228 | L | A | 0.0000 | |
| 229 | Q | A | -1.3388 | |
| 230 | Y | A | -0.2848 | |
| 231 | G | A | 0.0000 | |
| 232 | Q | A | -0.3565 | |
| 233 | C | A | -0.3376 | |
| 234 | G | A | -0.2999 | |
| 235 | S | A | -0.3625 | |
| 236 | G | A | 0.0000 | |
| 237 | K | A | -0.7979 | |
| 238 | L | A | 0.0000 | |
| 239 | Q | A | -0.4429 | |
| 240 | L | A | 0.0000 | |
| 241 | E | A | -0.6012 | |
| 242 | Y | A | 0.0524 | |
| 243 | C | A | 0.0000 | |
| 244 | S | A | -1.0274 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -1.2153 | |
| 247 | A | A | -1.1566 | |
| 248 | A | A | -0.7828 | |
| 249 | S | A | 0.0000 | |
| 250 | C | A | 0.0000 | |
| 251 | E | A | -1.7155 | |
| 252 | P | A | -1.3070 | |
| 253 | L | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | S | A | -1.2688 | |
| 256 | V | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | R | A | -2.1724 | |
| 259 | A | A | -0.7338 | |
| 260 | G | A | -0.3778 | |
| 261 | S | A | -0.3019 | |
| 262 | G | A | 0.0000 | |
| 263 | Y | A | 0.8642 | |
| 264 | P | A | 0.0000 | |
| 265 | T | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | E | A | 0.0000 | |
| 269 | H | A | -0.5953 | |
| 270 | K | A | 0.0000 | |
| 271 | Q | A | -1.2459 | |
| 272 | A | A | 0.0000 | |
| 273 | T | A | -1.0207 | |
| 274 | N | A | -1.6648 | |
| 275 | L | A | 0.0000 | |
| 276 | Q | A | -0.8566 | |
| 277 | Y | A | 0.1165 | |
| 278 | G | A | 0.0000 | |
| 279 | Q | A | -0.2765 | |
| 280 | C | A | 0.0000 | |
| 281 | G | A | -0.2975 | |
| 282 | S | A | -0.2966 | |
| 283 | G | A | 0.0000 | |
| 284 | E | A | -0.6134 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | N | A | 0.0000 | |
| 290 | N | A | -1.8079 | |
| 291 | D | A | -2.1258 | |
| 292 | I | A | 0.0000 | |
| 293 | N | A | -1.8914 | |
| 294 | E | A | -2.9266 | |
| 295 | A | A | -1.8185 | |
| 296 | G | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | R | A | -2.7268 | |
| 299 | V | A | -1.6152 | |
| 300 | L | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | Q | A | -2.2682 | |
| 303 | G | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -2.8415 | |
| 306 | D | A | -2.9668 | |
| 307 | G | A | -1.8609 | |
| 308 | S | A | -1.4918 | |
| 309 | G | A | -0.4757 | |
| 310 | Y | A | -0.1108 | |
| 311 | P | A | -0.0478 | |
| 312 | T | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | E | A | 0.0000 | |
| 316 | H | A | -0.7544 | |
| 317 | K | A | 0.0000 | |
| 318 | Q | A | -1.7851 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | -1.1913 | |
| 321 | N | A | -1.6278 | |
| 322 | L | A | 0.0000 | |
| 323 | Q | A | -0.6299 | |
| 324 | Y | A | 0.5230 | |
| 325 | G | A | 0.0000 | |
| 326 | Q | A | -0.0601 | |
| 327 | C | A | 0.0000 | |
| 328 | G | A | -0.4068 | |
| 329 | S | A | -0.2982 | |
| 330 | G | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | L | A | -0.1609 | |
| 333 | K | A | -0.5911 | |
| 334 | L | A | 0.0000 | |
| 335 | E | A | -1.8029 | |
| 336 | S | A | -1.8722 | |
| 337 | C | A | 0.0000 | |
| 338 | G | A | -2.0812 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | -1.7050 | |
| 341 | S | A | -1.5544 | |
| 342 | D | A | -3.0863 | |
| 343 | N | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | R | A | -2.6667 | |
| 346 | D | A | -2.3706 | |
| 347 | L | A | -1.3168 | |
| 348 | C | A | -0.9755 | |
| 349 | G | A | -1.0506 | |
| 350 | I | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | A | A | -0.4218 | |
| 353 | S | A | -0.6033 | |
| 354 | G | A | -0.6821 | |
| 355 | S | A | 0.0000 | |
| 356 | G | A | 0.0000 | |
| 357 | Y | A | -0.0969 | |
| 358 | P | A | 0.0000 | |
| 359 | T | A | 0.0000 | |
| 360 | F | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | E | A | 0.0000 | |
| 363 | H | A | -0.7074 | |
| 364 | K | A | 0.0000 | |
| 365 | Q | A | -1.8474 | |
| 366 | A | A | -1.5002 | |
| 367 | T | A | -1.0225 | |
| 368 | N | A | -1.5650 | |
| 369 | L | A | -0.4533 | |
| 370 | Q | A | -0.6210 | |
| 371 | Y | A | 0.7685 | |
| 372 | G | A | 0.0000 | |
| 373 | Q | A | 0.0610 | |
| 374 | C | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | S | A | 0.0000 | |
| 377 | G | A | -0.3117 | |
| 378 | E | A | -0.3865 | |
| 379 | L | A | 0.3265 | |
| 380 | A | A | 0.0459 | |
| 381 | L | A | 0.0000 | |
| 382 | G | A | -1.3809 | |
| 383 | S | A | 0.0000 | |
| 384 | N | A | -2.8410 | |
| 385 | K | A | -2.8727 | |
| 386 | L | A | 0.0000 | |
| 387 | G | A | -0.8231 | |
| 388 | D | A | -1.0405 | |
| 389 | V | A | 0.5380 | |
| 390 | G | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | A | A | -0.7052 | |
| 393 | E | A | -1.1987 | |
| 394 | L | A | -0.4145 | |
| 395 | C | A | 0.0000 | |
| 396 | P | A | -0.7077 | |
| 397 | G | A | 0.0000 | |
| 398 | L | A | -0.0073 | |
| 399 | L | A | -0.2550 | |
| 400 | G | A | -0.3336 | |
| 401 | S | A | -0.3287 | |
| 402 | G | A | -0.6799 | |
| 403 | T | A | -0.3858 | |
| 404 | G | A | 0.0000 | |
| 405 | N | A | 0.0000 | |
| 406 | E | A | -1.1349 | |
| 407 | N | A | -1.6970 | |
| 408 | S | A | -1.0552 | |
| 409 | H | A | 0.0000 | |
| 410 | P | A | -0.4714 | |
| 411 | P | A | -0.3699 | |
| 412 | Y | A | 0.1738 | |
| 413 | A | A | 0.3028 | |
| 414 | T | A | -0.1293 | |
| 415 | T | A | -0.4349 | |
| 416 | G | A | -0.7457 | |
| 417 | S | A | -0.9374 | |
| 418 | G | A | -0.9499 | |
| 419 | T | A | -0.7134 | |
| 420 | L | A | 0.0438 | |
| 421 | W | A | 0.1321 | |
| 422 | I | A | 0.0000 | |
| 423 | W | A | 0.0000 | |
| 424 | E | A | -2.5751 | |
| 425 | C | A | 0.0000 | |
| 426 | G | A | -1.7480 | |
| 427 | I | A | 0.0000 | |
| 428 | T | A | -1.0733 | |
| 429 | A | A | 0.0000 | |
| 430 | K | A | -2.1377 | |
| 431 | G | A | 0.0000 | |
| 432 | C | A | 0.0000 | |
| 433 | G | A | -1.9268 | |
| 434 | D | A | -2.0901 | |
| 435 | L | A | 0.0000 | |
| 436 | C | A | 0.0000 | |
| 437 | R | A | -2.5853 | |
| 438 | V | A | 0.0000 | |
| 439 | L | A | -1.4005 | |
| 440 | R | A | -2.6685 | |
| 441 | A | A | -1.6579 | |
| 442 | G | A | -1.3999 | |
| 443 | S | A | -1.1156 | |
| 444 | G | A | -1.3464 | |
| 445 | T | A | -0.7423 | |
| 446 | G | A | -0.7708 | |
| 447 | N | A | 0.0000 | |
| 448 | E | A | -1.4767 | |
| 449 | N | A | -2.2667 | |
| 450 | S | A | -1.4557 | |
| 451 | H | A | -1.4832 | |
| 452 | P | A | -0.7977 | |
| 453 | P | A | -0.3325 | |
| 454 | Y | A | 0.7343 | |
| 455 | A | A | 0.2483 | |
| 456 | T | A | 0.0000 | |
| 457 | T | A | -0.3654 | |
| 458 | G | A | -0.5536 | |
| 459 | S | A | -0.9046 | |
| 460 | G | A | -1.2295 | |
| 461 | E | A | -1.7296 | |
| 462 | L | A | -0.3544 | |
| 463 | S | A | 0.0000 | |
| 464 | L | A | 0.0000 | |
| 465 | A | A | 0.0000 | |
| 466 | G | A | 0.0000 | |
| 467 | N | A | -2.0343 | |
| 468 | E | A | -1.6971 | |
| 469 | L | A | -0.9663 | |
| 470 | G | A | -1.1558 | |
| 471 | D | A | -1.6337 | |
| 472 | E | A | -2.2989 | |
| 473 | G | A | 0.0000 | |
| 474 | A | A | 0.0000 | |
| 475 | R | A | -2.2547 | |
| 476 | L | A | -1.7802 | |
| 477 | L | A | 0.0000 | |
| 478 | C | A | 0.0000 | |
| 479 | E | A | -1.7166 | |
| 480 | T | A | -1.2305 | |
| 481 | L | A | -0.1306 | |
| 482 | L | A | -0.0210 | |
| 483 | G | A | -0.7588 | |
| 484 | S | A | 0.0000 | |
| 485 | G | A | -1.0221 | |
| 486 | T | A | -0.8202 | |
| 487 | G | A | -1.1794 | |
| 488 | N | A | -0.9108 | |
| 489 | E | A | 0.0000 | |
| 490 | N | A | -1.4679 | |
| 491 | S | A | -1.0091 | |
| 492 | H | A | -1.3942 | |
| 493 | P | A | 0.0000 | |
| 494 | P | A | -0.4755 | |
| 495 | Y | A | -0.1697 | |
| 496 | A | A | 0.0626 | |
| 497 | T | A | 0.0000 | |
| 498 | T | A | 0.0000 | |
| 499 | G | A | -0.5768 | |
| 500 | S | A | -1.0224 | |
| 501 | G | A | -0.9978 | |
| 502 | S | A | -0.8711 | |
| 503 | L | A | -0.3878 | |
| 504 | W | A | -0.1784 | |
| 505 | V | A | 0.0000 | |
| 506 | K | A | -1.2903 | |
| 507 | S | A | -1.5420 | |
| 508 | C | A | 0.0000 | |
| 509 | S | A | -1.1451 | |
| 510 | F | A | 0.0000 | |
| 511 | T | A | -0.8589 | |
| 512 | A | A | -0.8500 | |
| 513 | A | A | -0.7625 | |
| 514 | C | A | 0.0000 | |
| 515 | C | A | 0.0000 | |
| 516 | S | A | -0.9551 | |
| 517 | H | A | -0.9241 | |
| 518 | F | A | 0.0000 | |
| 519 | S | A | 0.0000 | |
| 520 | S | A | -0.5420 | |
| 521 | V | A | 0.0000 | |
| 522 | L | A | 0.1008 | |
| 523 | A | A | -0.2797 | |
| 524 | Q | A | -0.3302 | |
| 525 | G | A | 0.0000 | |
| 526 | S | A | -0.1483 | |
| 527 | G | A | -0.3310 | |
| 528 | T | A | -0.6428 | |
| 529 | G | A | -1.5769 | |
| 530 | N | A | -2.8939 | |
| 531 | E | A | -3.3423 | |
| 532 | N | A | 0.0000 | |
| 533 | S | A | -1.2335 | |
| 534 | H | A | -1.1290 | |
| 535 | P | A | -0.9453 | |
| 536 | P | A | -0.7972 | |
| 537 | Y | A | 0.0000 | |
| 538 | A | A | 0.0000 | |
| 539 | T | A | -0.1247 | |
| 540 | T | A | -0.3092 | |
| 541 | G | A | -0.5847 | |
| 542 | S | A | -0.8219 | |
| 543 | G | A | -0.7892 | |
| 544 | E | A | -0.8037 | |
| 545 | L | A | 0.0242 | |
| 546 | Q | A | -0.1125 | |
| 547 | I | A | 0.0000 | |
| 548 | S | A | 0.0000 | |
| 549 | N | A | -1.7291 | |
| 550 | N | A | -2.0100 | |
| 551 | R | A | 0.0000 | |
| 552 | L | A | -1.7309 | |
| 553 | E | A | -2.3398 | |
| 554 | D | A | -2.8761 | |
| 555 | A | A | -1.8129 | |
| 556 | G | A | 0.0000 | |
| 557 | V | A | 0.0000 | |
| 558 | R | A | -2.8893 | |
| 559 | E | A | -2.1813 | |
| 560 | L | A | 0.0000 | |
| 561 | C | A | 0.0000 | |
| 562 | Q | A | -1.7339 | |
| 563 | G | A | 0.0000 | |
| 564 | L | A | -0.2155 | |
| 565 | G | A | -0.2439 | |
| 566 | G | A | -0.6153 | |
| 567 | S | A | -0.8162 | |
| 568 | G | A | -1.1635 | |
| 569 | T | A | 0.0000 | |
| 570 | G | A | -2.3227 | |
| 571 | N | A | 0.0000 | |
| 572 | E | A | -3.3888 | |
| 573 | N | A | 0.0000 | |
| 574 | S | A | -1.6094 | |
| 575 | H | A | -1.6365 | |
| 576 | P | A | 0.0000 | |
| 577 | P | A | -0.5507 | |
| 578 | Y | A | 0.0000 | |
| 579 | A | A | 0.0000 | |
| 580 | T | A | -0.2522 | |
| 581 | T | A | 0.0000 | |
| 582 | G | A | -0.5551 | |
| 583 | S | A | -0.6571 | |
| 584 | G | A | -0.4631 | |
| 585 | V | A | -0.2400 | |
| 586 | L | A | 0.0919 | |
| 587 | W | A | 0.1829 | |
| 588 | L | A | 0.0000 | |
| 589 | A | A | 0.0000 | |
| 590 | D | A | -1.8999 | |
| 591 | C | A | 0.0000 | |
| 592 | D | A | -2.7177 | |
| 593 | V | A | 0.0000 | |
| 594 | S | A | -1.4103 | |
| 595 | D | A | -1.5979 | |
| 596 | S | A | -1.4224 | |
| 597 | S | A | 0.0000 | |
| 598 | C | A | 0.0000 | |
| 599 | S | A | -0.8246 | |
| 600 | S | A | -1.0399 | |
| 601 | L | A | 0.0000 | |
| 602 | A | A | 0.0000 | |
| 603 | A | A | 0.1029 | |
| 604 | T | A | 0.0000 | |
| 605 | L | A | 0.5808 | |
| 606 | L | A | 0.7425 | |
| 607 | A | A | 0.3730 | |
| 608 | G | A | 0.2426 | |
| 609 | S | A | -0.0016 | |
| 610 | G | A | 0.0000 | |
| 611 | T | A | 0.0000 | |
| 612 | G | A | -1.3126 | |
| 613 | N | A | 0.0000 | |
| 614 | E | A | -2.8722 | |
| 615 | N | A | -2.5357 | |
| 616 | S | A | -1.6752 | |
| 617 | H | A | 0.0000 | |
| 618 | P | A | -0.8559 | |
| 619 | P | A | -0.5876 | |
| 620 | Y | A | 0.0000 | |
| 621 | A | A | 0.0000 | |
| 622 | T | A | -0.0965 | |
| 623 | T | A | -0.3821 | |
| 624 | G | A | -0.5584 | |
| 625 | S | A | -0.5563 | |
| 626 | G | A | -0.5679 | |
| 627 | E | A | -0.5750 | |
| 628 | L | A | 0.0000 | |
| 629 | D | A | 0.0617 | |
| 630 | L | A | 0.0000 | |
| 631 | S | A | 0.0000 | |
| 632 | N | A | -1.4499 | |
| 633 | N | A | -0.9277 | |
| 634 | C | A | -0.2907 | |
| 635 | L | A | 0.0000 | |
| 636 | G | A | -0.9943 | |
| 637 | D | A | -2.2371 | |
| 638 | A | A | -1.0993 | |
| 639 | G | A | 0.0000 | |
| 640 | I | A | 0.0000 | |
| 641 | L | A | -0.7706 | |
| 642 | Q | A | -1.3429 | |
| 643 | L | A | 0.0000 | |
| 644 | V | A | -1.2554 | |
| 645 | E | A | -2.2256 | |
| 646 | S | A | 0.0000 | |
| 647 | V | A | 0.0000 | |
| 648 | R | A | -2.6419 | |
| 649 | G | A | -1.2356 | |
| 650 | S | A | -0.6505 | |
| 651 | G | A | 0.0000 | |
| 652 | T | A | -0.4955 | |
| 653 | G | A | -0.0296 | |
| 654 | N | A | 0.0000 | |
| 655 | E | A | 0.0000 | |
| 656 | N | A | -1.4414 | |
| 657 | S | A | 0.0000 | |
| 658 | H | A | -1.4808 | |
| 659 | P | A | 0.0000 | |
| 660 | P | A | -0.2292 | |
| 661 | Y | A | 0.7429 | |
| 662 | A | A | 0.5453 | |
| 663 | T | A | 0.2230 | |
| 664 | T | A | 0.0000 | |
| 665 | G | A | -0.4760 | |
| 666 | S | A | -0.7287 | |
| 667 | G | A | -0.9776 | |
| 668 | Q | A | -0.7270 | |
| 669 | L | A | 0.0000 | |
| 670 | V | A | 0.5583 | |
| 671 | L | A | 0.0000 | |
| 672 | Y | A | 0.9106 | |
| 673 | D | A | -0.6558 | |
| 674 | I | A | 0.5716 | |
| 675 | Y | A | 0.6920 | |
| 676 | W | A | 0.0000 | |
| 677 | S | A | -2.2798 | |
| 678 | E | A | -3.5681 | |
| 679 | E | A | -4.1170 | |
| 680 | M | A | 0.0000 | |
| 681 | E | A | -3.1342 | |
| 682 | D | A | -3.6338 | |
| 683 | R | A | -3.2994 | |
| 684 | L | A | 0.0000 | |
| 685 | Q | A | -2.8849 | |
| 686 | A | A | -2.6329 | |
| 687 | L | A | -2.5424 | |
| 688 | E | A | -3.6188 | |
| 689 | K | A | -3.4531 | |
| 690 | D | A | -3.4722 | |
| 691 | G | A | -2.7510 | |
| 692 | S | A | -2.2868 | |
| 693 | G | A | -1.5443 | |
| 694 | T | A | -1.1040 | |
| 695 | G | A | -1.1430 | |
| 696 | N | A | -1.5297 | |
| 697 | E | A | 0.0000 | |
| 698 | N | A | 0.0000 | |
| 699 | S | A | -0.9905 | |
| 700 | H | A | -1.0656 | |
| 701 | P | A | -0.6938 | |
| 702 | P | A | -0.7833 | |
| 703 | Y | A | 0.0000 | |
| 704 | A | A | -0.0801 | |
| 705 | T | A | 0.0000 | |
| 706 | T | A | -0.8954 | |
| 707 | G | A | -1.5631 | |
| 708 | S | A | -1.6143 | |
| 709 | G | A | -2.1027 | |
| 710 | R | A | -1.8009 | |
| 711 | V | A | 0.0000 | |
| 712 | I | A | 0.6762 | |
| 713 | S | A | 0.1313 |
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, -0.6505 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_9 | -0.6505 | View | CSV | PDB |
| model_3 | -0.6547 | View | CSV | PDB |
| model_4 | -0.6565 | View | CSV | PDB |
| model_0 | -0.6587 | View | CSV | PDB |
| model_7 | -0.662 | View | CSV | PDB |
| model_2 | -0.6676 | View | CSV | PDB |
| CABS_average | -0.671 | View | CSV | PDB |
| model_11 | -0.6718 | View | CSV | PDB |
| model_1 | -0.6735 | View | CSV | PDB |
| model_6 | -0.6804 | View | CSV | PDB |
| model_10 | -0.6864 | View | CSV | PDB |
| model_5 | -0.6908 | View | CSV | PDB |
| model_8 | -0.6992 | View | CSV | PDB |
| input | -0.7547 | 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