Project name: C21_B3_EF_E11_EF_GSG
Status: done
Started: 2026-07-21 11:05:54
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGEAEMGCATLDNTPSSAELLGGSGVRLDDCGLTEARCKDISSALRVGSGEAEMGCATLDNTPSSAELLGGSGELNLRSNELGDVGVHCVLQGLQGSGEAEMGCATLDNTPSSAELLGGSGKLSLQNCCLTGAGCGVLSSTLRTGSGEAEMGCATLDNTPSSAELLGGSGELHLSDNLLGDAGLQLLCEGLLGSGEAEMGCATLDNTPSSAELLGGSGKLQLEYCSLSAASCEPLASVLRAGSGEAEMGCATLDNTPSSAELLGGSGELTVSNNDINEAGVRVLCQGLKDGSGEAEMGCATLDNTPSSAELLGGSGALKLESCGVTSDNCRDLCGIVASGSGEAEMGCATLDNTPSSAELLGGSGELALGSNKLGDVGMAELCPGLLGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGTLWIWECGITAKGCGDLCRVLRAGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELSLAGNELGDEGARLLCETLLGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGSLWVKSCSFTAACCSHFSSVLAQGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELQISNNRLEDAGVRELCQGLGGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGVLWLADCDVSDSSCSSLAATLLAGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELDLSNNCLGDAGILQLVESVRGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGQLVLYDIYWSEEMEDRLQALEKDGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGRVIS
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:11:24)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:17:33)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:17:41)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:17:48)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:17:56)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:18:03)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:18:11)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:18:18)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:18:26)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:18:33)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:18:40)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:18:48)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:18:55)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:19:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:19:21)
[INFO] Main: Simulation completed successfully. (03:19:28)
|
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
- -4.8741
- Maximal score value
- 2.2412
- Average score
- -0.537
- Total score value
- -494.5762
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 | -0.3153 | |
| 2 | L | A | -0.4799 | |
| 3 | D | A | -1.0396 | |
| 4 | I | A | 0.7458 | |
| 5 | Q | A | -0.2045 | |
| 6 | S | A | -0.7223 | |
| 7 | L | A | -0.7870 | |
| 8 | D | A | -2.4014 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.8044 | |
| 11 | C | A | -2.7774 | |
| 12 | E | A | -3.1791 | |
| 13 | E | A | -3.0896 | |
| 14 | L | A | -2.4302 | |
| 15 | S | A | -2.3092 | |
| 16 | D | A | -2.6827 | |
| 17 | A | A | -1.7995 | |
| 18 | R | A | -2.4590 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5390 | |
| 21 | E | A | -2.2903 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.7896 | |
| 24 | P | A | -0.8317 | |
| 25 | L | A | 0.0436 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.1810 | |
| 28 | G | A | -0.4766 | |
| 29 | S | A | -0.1225 | |
| 30 | G | A | -0.5731 | |
| 31 | E | A | -0.5821 | |
| 32 | A | A | -1.2255 | |
| 33 | E | A | -1.9673 | |
| 34 | M | A | 0.0000 | |
| 35 | G | A | -0.8893 | |
| 36 | C | A | -0.5989 | |
| 37 | A | A | -0.1871 | |
| 38 | T | A | -0.4664 | |
| 39 | L | A | -0.4292 | |
| 40 | D | A | -1.9928 | |
| 41 | N | A | -1.8746 | |
| 42 | T | A | 0.0000 | |
| 43 | P | A | 0.0000 | |
| 44 | S | A | -1.1519 | |
| 45 | S | A | -1.0356 | |
| 46 | A | A | 0.0000 | |
| 47 | E | A | -2.0004 | |
| 48 | L | A | 0.0000 | |
| 49 | L | A | 0.3076 | |
| 50 | G | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | S | A | -0.3045 | |
| 53 | G | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -2.0908 | |
| 56 | L | A | 0.0000 | |
| 57 | D | A | -2.9151 | |
| 58 | D | A | -3.4444 | |
| 59 | C | A | 0.0000 | |
| 60 | G | A | -2.1595 | |
| 61 | L | A | 0.0000 | |
| 62 | T | A | -1.8037 | |
| 63 | E | A | -2.3300 | |
| 64 | A | A | -1.6137 | |
| 65 | R | A | 0.0000 | |
| 66 | C | A | 0.0000 | |
| 67 | K | A | -2.5758 | |
| 68 | D | A | -2.0396 | |
| 69 | I | A | 0.0000 | |
| 70 | S | A | 0.0000 | |
| 71 | S | A | -1.1971 | |
| 72 | A | A | 0.0000 | |
| 73 | L | A | -0.8131 | |
| 74 | R | A | -1.5078 | |
| 75 | V | A | 0.3546 | |
| 76 | G | A | -0.4345 | |
| 77 | S | A | -0.7576 | |
| 78 | G | A | -1.4492 | |
| 79 | E | A | -1.5155 | |
| 80 | A | A | -2.0484 | |
| 81 | E | A | -2.6796 | |
| 82 | M | A | -1.3069 | |
| 83 | G | A | -0.8850 | |
| 84 | C | A | -0.3652 | |
| 85 | A | A | -0.4111 | |
| 86 | T | A | -0.8214 | |
| 87 | L | A | 0.0000 | |
| 88 | D | A | -1.9619 | |
| 89 | N | A | -2.2778 | |
| 90 | T | A | 0.0000 | |
| 91 | P | A | -0.9187 | |
| 92 | S | A | -0.7128 | |
| 93 | S | A | -1.1469 | |
| 94 | A | A | 0.0000 | |
| 95 | E | A | -1.7572 | |
| 96 | L | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | G | A | -0.6061 | |
| 102 | E | A | -0.9586 | |
| 103 | L | A | 0.0000 | |
| 104 | N | A | -0.9962 | |
| 105 | L | A | 0.0000 | |
| 106 | R | A | -2.1647 | |
| 107 | S | A | 0.0000 | |
| 108 | N | A | -2.9355 | |
| 109 | E | A | -3.1407 | |
| 110 | L | A | 0.0000 | |
| 111 | G | A | -0.8690 | |
| 112 | D | A | -0.0321 | |
| 113 | V | A | 0.9834 | |
| 114 | G | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | H | A | -0.5747 | |
| 117 | C | A | -1.0267 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | Q | A | -1.6423 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | -1.1976 | |
| 123 | Q | A | -1.9247 | |
| 124 | G | A | -1.8009 | |
| 125 | S | A | -1.2480 | |
| 126 | G | A | -1.8415 | |
| 127 | E | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | E | A | -2.8115 | |
| 130 | M | A | -1.4712 | |
| 131 | G | A | -0.8140 | |
| 132 | C | A | 0.1094 | |
| 133 | A | A | -0.1012 | |
| 134 | T | A | -0.7028 | |
| 135 | L | A | 0.0000 | |
| 136 | D | A | -2.0945 | |
| 137 | N | A | 0.0000 | |
| 138 | T | A | -1.1924 | |
| 139 | P | A | -0.6278 | |
| 140 | S | A | 0.0000 | |
| 141 | S | A | -0.7326 | |
| 142 | A | A | 0.0000 | |
| 143 | E | A | -1.1834 | |
| 144 | L | A | 0.0000 | |
| 145 | L | A | 0.0232 | |
| 146 | G | A | 0.0078 | |
| 147 | G | A | -0.1881 | |
| 148 | S | A | -0.6381 | |
| 149 | G | A | -0.7211 | |
| 150 | K | A | -0.6771 | |
| 151 | L | A | -0.1351 | |
| 152 | S | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.0067 | |
| 155 | N | A | -1.2713 | |
| 156 | C | A | -0.2654 | |
| 157 | C | A | 0.5864 | |
| 158 | L | A | 0.0000 | |
| 159 | T | A | 0.1096 | |
| 160 | G | A | -0.3281 | |
| 161 | A | A | 0.1602 | |
| 162 | G | A | 0.0000 | |
| 163 | C | A | 0.0000 | |
| 164 | G | A | -0.4488 | |
| 165 | V | A | -0.2406 | |
| 166 | L | A | -0.1522 | |
| 167 | S | A | -0.6934 | |
| 168 | S | A | -1.0300 | |
| 169 | T | A | 0.0000 | |
| 170 | L | A | -1.1114 | |
| 171 | R | A | -2.0760 | |
| 172 | T | A | -1.4288 | |
| 173 | G | A | -1.4205 | |
| 174 | S | A | -1.5085 | |
| 175 | G | A | -1.5246 | |
| 176 | E | A | -1.4761 | |
| 177 | A | A | -1.1933 | |
| 178 | E | A | -0.7586 | |
| 179 | M | A | -0.2412 | |
| 180 | G | A | 0.0000 | |
| 181 | C | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | T | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | -2.1372 | |
| 186 | N | A | -2.2892 | |
| 187 | T | A | 0.0000 | |
| 188 | P | A | -1.0991 | |
| 189 | S | A | 0.0000 | |
| 190 | S | A | -0.7500 | |
| 191 | A | A | 0.0000 | |
| 192 | E | A | -0.9611 | |
| 193 | L | A | 0.0000 | |
| 194 | L | A | 0.2891 | |
| 195 | G | A | -0.1066 | |
| 196 | G | A | -0.1816 | |
| 197 | S | A | -0.6240 | |
| 198 | G | A | -0.8149 | |
| 199 | E | A | -0.8010 | |
| 200 | L | A | 0.0000 | |
| 201 | H | A | -0.5886 | |
| 202 | L | A | 0.0000 | |
| 203 | S | A | -0.5164 | |
| 204 | D | A | -0.4845 | |
| 205 | N | A | 0.0000 | |
| 206 | L | A | 1.1721 | |
| 207 | L | A | 0.0000 | |
| 208 | G | A | -0.2470 | |
| 209 | D | A | -0.9515 | |
| 210 | A | A | -0.4922 | |
| 211 | G | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | Q | A | -1.0981 | |
| 214 | L | A | -0.3233 | |
| 215 | L | A | 0.0000 | |
| 216 | C | A | 0.0000 | |
| 217 | E | A | -1.9264 | |
| 218 | G | A | 0.0000 | |
| 219 | L | A | -0.4448 | |
| 220 | L | A | 0.0000 | |
| 221 | G | A | -0.3499 | |
| 222 | S | A | -0.4260 | |
| 223 | G | A | 0.0000 | |
| 224 | E | A | -1.7049 | |
| 225 | A | A | 0.0000 | |
| 226 | E | A | -2.6872 | |
| 227 | M | A | 0.0000 | |
| 228 | G | A | -0.7302 | |
| 229 | C | A | 0.3848 | |
| 230 | A | A | 0.1311 | |
| 231 | T | A | -0.2661 | |
| 232 | L | A | -0.8522 | |
| 233 | D | A | -2.2058 | |
| 234 | N | A | 0.0000 | |
| 235 | T | A | -1.0988 | |
| 236 | P | A | -0.8322 | |
| 237 | S | A | 0.0000 | |
| 238 | S | A | -0.6731 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | -0.8423 | |
| 241 | L | A | 0.0000 | |
| 242 | L | A | 0.6840 | |
| 243 | G | A | 0.1475 | |
| 244 | G | A | -0.3010 | |
| 245 | S | A | -0.7819 | |
| 246 | G | A | -0.9125 | |
| 247 | K | A | -0.9679 | |
| 248 | L | A | 0.0000 | |
| 249 | Q | A | -0.7153 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -0.6288 | |
| 252 | Y | A | -0.2258 | |
| 253 | C | A | 0.0000 | |
| 254 | S | A | -0.6236 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | -1.4018 | |
| 257 | A | A | -1.3394 | |
| 258 | A | A | -0.9462 | |
| 259 | S | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.9341 | |
| 262 | P | A | -1.4583 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | S | A | -1.6437 | |
| 266 | V | A | 0.0000 | |
| 267 | L | A | -1.5479 | |
| 268 | R | A | -2.6784 | |
| 269 | A | A | -1.1902 | |
| 270 | G | A | -0.7576 | |
| 271 | S | A | -1.0566 | |
| 272 | G | A | -1.1578 | |
| 273 | E | A | -1.8705 | |
| 274 | A | A | 0.0000 | |
| 275 | E | A | -3.3927 | |
| 276 | M | A | 0.0000 | |
| 277 | G | A | -1.0627 | |
| 278 | C | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | T | A | -0.1110 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | -0.8929 | |
| 283 | N | A | -1.0289 | |
| 284 | T | A | 0.0000 | |
| 285 | P | A | -0.5143 | |
| 286 | S | A | 0.0139 | |
| 287 | S | A | -0.4342 | |
| 288 | A | A | 0.0000 | |
| 289 | E | A | -0.1910 | |
| 290 | L | A | 0.0000 | |
| 291 | L | A | 0.4001 | |
| 292 | G | A | 0.0000 | |
| 293 | G | A | -0.2860 | |
| 294 | S | A | -0.6174 | |
| 295 | G | A | -0.8125 | |
| 296 | E | A | -0.8230 | |
| 297 | L | A | 0.0000 | |
| 298 | T | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | N | A | -1.2451 | |
| 302 | N | A | -1.5168 | |
| 303 | D | A | -2.5382 | |
| 304 | I | A | 0.0000 | |
| 305 | N | A | -2.1844 | |
| 306 | E | A | -2.1851 | |
| 307 | A | A | -1.4191 | |
| 308 | G | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | R | A | -2.1460 | |
| 311 | V | A | -1.4410 | |
| 312 | L | A | 0.0000 | |
| 313 | C | A | 0.0000 | |
| 314 | Q | A | -2.2184 | |
| 315 | G | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | K | A | -2.2942 | |
| 318 | D | A | -2.9021 | |
| 319 | G | A | -2.3734 | |
| 320 | S | A | -1.6396 | |
| 321 | G | A | -1.4832 | |
| 322 | E | A | -1.8869 | |
| 323 | A | A | -1.7845 | |
| 324 | E | A | -2.6163 | |
| 325 | M | A | 0.0000 | |
| 326 | G | A | -0.9754 | |
| 327 | C | A | 0.0094 | |
| 328 | A | A | -0.0708 | |
| 329 | T | A | -0.4055 | |
| 330 | L | A | -0.6644 | |
| 331 | D | A | -1.6098 | |
| 332 | N | A | 0.0000 | |
| 333 | T | A | -0.7293 | |
| 334 | P | A | -0.1290 | |
| 335 | S | A | 0.0000 | |
| 336 | S | A | 0.0000 | |
| 337 | A | A | 0.0881 | |
| 338 | E | A | 0.0000 | |
| 339 | L | A | 0.6893 | |
| 340 | L | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | G | A | -0.4841 | |
| 343 | S | A | -0.7093 | |
| 344 | G | A | -0.7581 | |
| 345 | A | A | -0.6715 | |
| 346 | L | A | 0.0000 | |
| 347 | K | A | -0.7198 | |
| 348 | L | A | 0.0000 | |
| 349 | E | A | 0.0000 | |
| 350 | S | A | -1.5647 | |
| 351 | C | A | 0.0000 | |
| 352 | G | A | -1.6111 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | -1.0421 | |
| 355 | S | A | -0.9043 | |
| 356 | D | A | -1.7233 | |
| 357 | N | A | 0.0000 | |
| 358 | C | A | 0.0000 | |
| 359 | R | A | -2.4398 | |
| 360 | D | A | -1.7790 | |
| 361 | L | A | 0.0000 | |
| 362 | C | A | -0.8413 | |
| 363 | G | A | -0.9027 | |
| 364 | I | A | -0.7570 | |
| 365 | V | A | 0.0000 | |
| 366 | A | A | -0.2528 | |
| 367 | S | A | -0.7082 | |
| 368 | G | A | -0.6816 | |
| 369 | S | A | -0.8167 | |
| 370 | G | A | -0.5136 | |
| 371 | E | A | -0.5099 | |
| 372 | A | A | 0.0699 | |
| 373 | E | A | 0.0000 | |
| 374 | M | A | 0.5485 | |
| 375 | G | A | -0.2626 | |
| 376 | C | A | 0.3282 | |
| 377 | A | A | 0.0580 | |
| 378 | T | A | -0.0837 | |
| 379 | L | A | -0.3653 | |
| 380 | D | A | -1.9451 | |
| 381 | N | A | -1.3799 | |
| 382 | T | A | -1.1504 | |
| 383 | P | A | -1.1077 | |
| 384 | S | A | 0.0000 | |
| 385 | S | A | 0.0000 | |
| 386 | A | A | -0.0355 | |
| 387 | E | A | 0.3072 | |
| 388 | L | A | 1.3476 | |
| 389 | L | A | 0.0000 | |
| 390 | G | A | -0.2518 | |
| 391 | G | A | -0.6756 | |
| 392 | S | A | -0.7113 | |
| 393 | G | A | -0.6959 | |
| 394 | E | A | -0.8225 | |
| 395 | L | A | -0.1817 | |
| 396 | A | A | -0.0494 | |
| 397 | L | A | 0.0000 | |
| 398 | G | A | -0.7713 | |
| 399 | S | A | -1.1969 | |
| 400 | N | A | 0.0000 | |
| 401 | K | A | -1.9173 | |
| 402 | L | A | -0.6755 | |
| 403 | G | A | -0.4995 | |
| 404 | D | A | -0.5858 | |
| 405 | V | A | 0.9185 | |
| 406 | G | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | A | A | -0.5122 | |
| 409 | E | A | -0.7703 | |
| 410 | L | A | 0.0000 | |
| 411 | C | A | 0.0000 | |
| 412 | P | A | -0.3618 | |
| 413 | G | A | 0.0000 | |
| 414 | L | A | 0.2030 | |
| 415 | L | A | -0.0006 | |
| 416 | G | A | -0.2742 | |
| 417 | S | A | -0.3013 | |
| 418 | G | A | -0.4893 | |
| 419 | P | A | -0.6442 | |
| 420 | P | A | -0.4154 | |
| 421 | L | A | 0.0000 | |
| 422 | T | A | -0.0388 | |
| 423 | H | A | 0.1387 | |
| 424 | Q | A | 0.0000 | |
| 425 | V | A | 1.4409 | |
| 426 | M | A | 1.4832 | |
| 427 | Y | A | 1.9959 | |
| 428 | I | A | 2.2412 | |
| 429 | P | A | 0.9078 | |
| 430 | P | A | 0.0429 | |
| 431 | G | A | -0.3225 | |
| 432 | G | A | -0.0587 | |
| 433 | P | A | 0.0000 | |
| 434 | I | A | 0.0000 | |
| 435 | P | A | -0.9005 | |
| 436 | K | A | -1.7644 | |
| 437 | S | A | -1.0773 | |
| 438 | T | A | -0.9599 | |
| 439 | T | A | -1.4991 | |
| 440 | D | A | -1.9499 | |
| 441 | Y | A | -1.0074 | |
| 442 | A | A | -0.4093 | |
| 443 | W | A | -0.1666 | |
| 444 | Q | A | 0.0000 | |
| 445 | T | A | -0.3175 | |
| 446 | S | A | -0.1460 | |
| 447 | T | A | 0.3722 | |
| 448 | N | A | 0.0000 | |
| 449 | P | A | 0.4248 | |
| 450 | S | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | F | A | 0.0000 | |
| 453 | W | A | 0.0305 | |
| 454 | T | A | -0.5045 | |
| 455 | E | A | -0.6522 | |
| 456 | G | A | -0.6304 | |
| 457 | S | A | -0.8363 | |
| 458 | G | A | -0.6704 | |
| 459 | T | A | -0.4476 | |
| 460 | L | A | 0.1569 | |
| 461 | W | A | 0.1160 | |
| 462 | I | A | 0.0000 | |
| 463 | W | A | 0.0000 | |
| 464 | E | A | -2.2015 | |
| 465 | C | A | -1.3272 | |
| 466 | G | A | -1.3871 | |
| 467 | I | A | 0.0000 | |
| 468 | T | A | -1.5150 | |
| 469 | A | A | -2.1564 | |
| 470 | K | A | -2.2547 | |
| 471 | G | A | 0.0000 | |
| 472 | C | A | 0.0000 | |
| 473 | G | A | -1.8143 | |
| 474 | D | A | -1.3578 | |
| 475 | L | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | R | A | -2.2223 | |
| 478 | V | A | 0.0000 | |
| 479 | L | A | -1.1365 | |
| 480 | R | A | -2.4825 | |
| 481 | A | A | -1.2479 | |
| 482 | G | A | -1.0949 | |
| 483 | S | A | -1.0125 | |
| 484 | G | A | -0.9318 | |
| 485 | P | A | -0.8685 | |
| 486 | P | A | -0.5736 | |
| 487 | L | A | -0.2729 | |
| 488 | T | A | -0.2862 | |
| 489 | H | A | -0.0218 | |
| 490 | Q | A | 0.0000 | |
| 491 | V | A | 0.0000 | |
| 492 | M | A | 0.0000 | |
| 493 | Y | A | 0.3171 | |
| 494 | I | A | 0.0000 | |
| 495 | P | A | -0.3842 | |
| 496 | P | A | -0.5153 | |
| 497 | G | A | -0.3143 | |
| 498 | G | A | -0.0590 | |
| 499 | P | A | 0.1279 | |
| 500 | I | A | 0.4150 | |
| 501 | P | A | 0.0000 | |
| 502 | K | A | -1.4429 | |
| 503 | S | A | -0.7720 | |
| 504 | T | A | -0.0372 | |
| 505 | T | A | 0.2898 | |
| 506 | D | A | 0.0000 | |
| 507 | Y | A | 1.5252 | |
| 508 | A | A | 1.0064 | |
| 509 | W | A | 1.4867 | |
| 510 | Q | A | 0.0000 | |
| 511 | T | A | 0.0538 | |
| 512 | S | A | -0.3974 | |
| 513 | T | A | -0.4076 | |
| 514 | N | A | -0.3381 | |
| 515 | P | A | 0.0417 | |
| 516 | S | A | 0.0000 | |
| 517 | I | A | 0.7193 | |
| 518 | F | A | 0.7622 | |
| 519 | W | A | 0.6149 | |
| 520 | T | A | -0.0290 | |
| 521 | E | A | -0.8346 | |
| 522 | G | A | -0.6254 | |
| 523 | S | A | -0.8900 | |
| 524 | G | A | -0.8849 | |
| 525 | E | A | -1.0625 | |
| 526 | L | A | 0.0000 | |
| 527 | S | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | A | A | 0.0000 | |
| 530 | G | A | -1.5287 | |
| 531 | N | A | 0.0000 | |
| 532 | E | A | -2.4173 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | -2.0299 | |
| 535 | D | A | -1.9827 | |
| 536 | E | A | -2.7006 | |
| 537 | G | A | 0.0000 | |
| 538 | A | A | 0.0000 | |
| 539 | R | A | -2.3394 | |
| 540 | L | A | -1.9938 | |
| 541 | L | A | 0.0000 | |
| 542 | C | A | 0.0000 | |
| 543 | E | A | -2.3702 | |
| 544 | T | A | -1.5337 | |
| 545 | L | A | -0.7246 | |
| 546 | L | A | -0.5615 | |
| 547 | G | A | 0.0000 | |
| 548 | S | A | -0.5138 | |
| 549 | G | A | -0.4934 | |
| 550 | P | A | -0.4061 | |
| 551 | P | A | -0.0897 | |
| 552 | L | A | 0.8355 | |
| 553 | T | A | 0.4852 | |
| 554 | H | A | 0.0000 | |
| 555 | Q | A | 0.4299 | |
| 556 | V | A | 0.0000 | |
| 557 | M | A | 0.0000 | |
| 558 | Y | A | 0.1567 | |
| 559 | I | A | 0.0000 | |
| 560 | P | A | -0.3875 | |
| 561 | P | A | -0.3204 | |
| 562 | G | A | 0.0131 | |
| 563 | G | A | 0.2426 | |
| 564 | P | A | 0.0192 | |
| 565 | I | A | 0.0000 | |
| 566 | P | A | -0.4495 | |
| 567 | K | A | 0.0000 | |
| 568 | S | A | -0.3842 | |
| 569 | T | A | -0.5399 | |
| 570 | T | A | 0.0000 | |
| 571 | D | A | -1.9413 | |
| 572 | Y | A | -0.6060 | |
| 573 | A | A | -0.1011 | |
| 574 | W | A | 0.2221 | |
| 575 | Q | A | 0.0000 | |
| 576 | T | A | -0.2266 | |
| 577 | S | A | -0.4589 | |
| 578 | T | A | -0.3077 | |
| 579 | N | A | -0.1921 | |
| 580 | P | A | 0.0980 | |
| 581 | S | A | 0.0000 | |
| 582 | I | A | 0.5912 | |
| 583 | F | A | 0.0000 | |
| 584 | W | A | 0.4932 | |
| 585 | T | A | 0.0000 | |
| 586 | E | A | -0.5143 | |
| 587 | G | A | -0.6409 | |
| 588 | S | A | -0.8902 | |
| 589 | G | A | -0.6569 | |
| 590 | S | A | 0.0000 | |
| 591 | L | A | 0.0000 | |
| 592 | W | A | -0.0540 | |
| 593 | V | A | 0.0000 | |
| 594 | K | A | -1.4445 | |
| 595 | S | A | -1.7706 | |
| 596 | C | A | 0.0000 | |
| 597 | S | A | -1.7576 | |
| 598 | F | A | 0.0000 | |
| 599 | T | A | -1.2854 | |
| 600 | A | A | -1.1562 | |
| 601 | A | A | -0.6562 | |
| 602 | C | A | 0.0000 | |
| 603 | C | A | 0.0000 | |
| 604 | S | A | -0.8430 | |
| 605 | H | A | -0.9879 | |
| 606 | F | A | 0.0000 | |
| 607 | S | A | -0.8281 | |
| 608 | S | A | -0.7400 | |
| 609 | V | A | 0.0000 | |
| 610 | L | A | 0.0000 | |
| 611 | A | A | -0.6823 | |
| 612 | Q | A | -0.9093 | |
| 613 | G | A | -0.7817 | |
| 614 | S | A | -0.7397 | |
| 615 | G | A | -0.5740 | |
| 616 | P | A | 0.0000 | |
| 617 | P | A | -0.3091 | |
| 618 | L | A | 0.1818 | |
| 619 | T | A | 0.0000 | |
| 620 | H | A | 0.0000 | |
| 621 | Q | A | 0.0000 | |
| 622 | V | A | 0.0000 | |
| 623 | M | A | 0.0000 | |
| 624 | Y | A | 0.1290 | |
| 625 | I | A | 0.0000 | |
| 626 | P | A | -0.4760 | |
| 627 | P | A | -0.4543 | |
| 628 | G | A | -0.4162 | |
| 629 | G | A | -0.3369 | |
| 630 | P | A | -0.6042 | |
| 631 | I | A | -1.0613 | |
| 632 | P | A | -1.4296 | |
| 633 | K | A | -2.2735 | |
| 634 | S | A | -1.2236 | |
| 635 | T | A | -1.0468 | |
| 636 | T | A | -1.1640 | |
| 637 | D | A | -1.2375 | |
| 638 | Y | A | -0.5018 | |
| 639 | A | A | 0.0000 | |
| 640 | W | A | 0.0186 | |
| 641 | Q | A | 0.0000 | |
| 642 | T | A | -0.2155 | |
| 643 | S | A | -0.3013 | |
| 644 | T | A | -0.1971 | |
| 645 | N | A | -0.1465 | |
| 646 | P | A | 0.1954 | |
| 647 | S | A | 0.0000 | |
| 648 | I | A | 0.8737 | |
| 649 | F | A | 0.0000 | |
| 650 | W | A | 0.7094 | |
| 651 | T | A | 0.0000 | |
| 652 | E | A | -0.6794 | |
| 653 | G | A | -0.6043 | |
| 654 | S | A | -0.6598 | |
| 655 | G | A | -0.6161 | |
| 656 | E | A | -0.5595 | |
| 657 | L | A | 0.0305 | |
| 658 | Q | A | -0.0999 | |
| 659 | I | A | 0.0000 | |
| 660 | S | A | 0.0000 | |
| 661 | N | A | -1.9340 | |
| 662 | N | A | -2.6391 | |
| 663 | R | A | -3.2380 | |
| 664 | L | A | 0.0000 | |
| 665 | E | A | -3.3266 | |
| 666 | D | A | -3.2539 | |
| 667 | A | A | -1.8787 | |
| 668 | G | A | 0.0000 | |
| 669 | V | A | 0.0000 | |
| 670 | R | A | -2.8629 | |
| 671 | E | A | -2.1254 | |
| 672 | L | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | Q | A | -1.6057 | |
| 675 | G | A | -1.1236 | |
| 676 | L | A | -0.7533 | |
| 677 | G | A | -0.6182 | |
| 678 | G | A | -0.8284 | |
| 679 | S | A | -0.6941 | |
| 680 | G | A | -0.2583 | |
| 681 | P | A | -0.2830 | |
| 682 | P | A | -0.3237 | |
| 683 | L | A | 0.0583 | |
| 684 | T | A | 0.1858 | |
| 685 | H | A | 0.0000 | |
| 686 | Q | A | 0.0000 | |
| 687 | V | A | 0.7028 | |
| 688 | M | A | 0.0000 | |
| 689 | Y | A | 0.1957 | |
| 690 | I | A | 0.0000 | |
| 691 | P | A | -0.4040 | |
| 692 | P | A | -0.3788 | |
| 693 | G | A | -0.3748 | |
| 694 | G | A | -0.2328 | |
| 695 | P | A | -0.1052 | |
| 696 | I | A | -0.1246 | |
| 697 | P | A | -0.2241 | |
| 698 | K | A | 0.0000 | |
| 699 | S | A | -0.5947 | |
| 700 | T | A | -0.7135 | |
| 701 | T | A | 0.0000 | |
| 702 | D | A | -1.9150 | |
| 703 | Y | A | 0.0000 | |
| 704 | A | A | -0.7699 | |
| 705 | W | A | 0.0000 | |
| 706 | Q | A | -1.2706 | |
| 707 | T | A | -0.7311 | |
| 708 | S | A | -0.4581 | |
| 709 | T | A | -0.3210 | |
| 710 | N | A | 0.0000 | |
| 711 | P | A | 0.0478 | |
| 712 | S | A | 0.0000 | |
| 713 | I | A | 0.6850 | |
| 714 | F | A | 0.0000 | |
| 715 | W | A | 0.5011 | |
| 716 | T | A | 0.0000 | |
| 717 | E | A | -0.5378 | |
| 718 | G | A | 0.0000 | |
| 719 | S | A | -0.6669 | |
| 720 | G | A | -0.5236 | |
| 721 | V | A | -0.2595 | |
| 722 | L | A | 0.0962 | |
| 723 | W | A | 0.2633 | |
| 724 | L | A | 0.0000 | |
| 725 | A | A | 0.0000 | |
| 726 | D | A | -2.2112 | |
| 727 | C | A | 0.0000 | |
| 728 | D | A | -2.6528 | |
| 729 | V | A | 0.0000 | |
| 730 | S | A | -1.7353 | |
| 731 | D | A | -1.8761 | |
| 732 | S | A | -1.5118 | |
| 733 | S | A | 0.0000 | |
| 734 | C | A | 0.0000 | |
| 735 | S | A | -0.8262 | |
| 736 | S | A | -1.0358 | |
| 737 | L | A | 0.0000 | |
| 738 | A | A | 0.0000 | |
| 739 | A | A | 0.4244 | |
| 740 | T | A | 0.0000 | |
| 741 | L | A | 0.7474 | |
| 742 | L | A | 1.3439 | |
| 743 | A | A | 0.5176 | |
| 744 | G | A | 0.1613 | |
| 745 | S | A | 0.0262 | |
| 746 | G | A | 0.0000 | |
| 747 | P | A | 0.0000 | |
| 748 | P | A | -0.1952 | |
| 749 | L | A | 0.3369 | |
| 750 | T | A | 0.2900 | |
| 751 | H | A | 0.0000 | |
| 752 | Q | A | 0.0000 | |
| 753 | V | A | 0.0000 | |
| 754 | M | A | 0.0000 | |
| 755 | Y | A | 0.1807 | |
| 756 | I | A | -0.0497 | |
| 757 | P | A | -0.3230 | |
| 758 | P | A | -0.9717 | |
| 759 | G | A | -1.0413 | |
| 760 | G | A | -1.0093 | |
| 761 | P | A | -1.0627 | |
| 762 | I | A | -0.5515 | |
| 763 | P | A | -0.8554 | |
| 764 | K | A | 0.0000 | |
| 765 | S | A | -0.9540 | |
| 766 | T | A | -0.6190 | |
| 767 | T | A | -0.9898 | |
| 768 | D | A | -1.6416 | |
| 769 | Y | A | -0.4495 | |
| 770 | A | A | 0.2119 | |
| 771 | W | A | 0.9757 | |
| 772 | Q | A | 0.0000 | |
| 773 | T | A | 0.1184 | |
| 774 | S | A | 0.0196 | |
| 775 | T | A | -0.1222 | |
| 776 | N | A | 0.0862 | |
| 777 | P | A | 0.0000 | |
| 778 | S | A | 0.0000 | |
| 779 | I | A | 1.0898 | |
| 780 | F | A | 0.0000 | |
| 781 | W | A | 0.6150 | |
| 782 | T | A | 0.0000 | |
| 783 | E | A | -0.9256 | |
| 784 | G | A | 0.0000 | |
| 785 | S | A | -0.8974 | |
| 786 | G | A | 0.0000 | |
| 787 | E | A | -1.2187 | |
| 788 | L | A | 0.0000 | |
| 789 | D | A | -0.2377 | |
| 790 | L | A | 0.0000 | |
| 791 | S | A | -1.1225 | |
| 792 | N | A | -1.9674 | |
| 793 | N | A | 0.0000 | |
| 794 | C | A | -0.3449 | |
| 795 | L | A | 0.0000 | |
| 796 | G | A | -0.5133 | |
| 797 | D | A | -0.5657 | |
| 798 | A | A | -0.4089 | |
| 799 | G | A | 0.0000 | |
| 800 | I | A | 0.0000 | |
| 801 | L | A | -0.7853 | |
| 802 | Q | A | -1.1199 | |
| 803 | L | A | 0.0000 | |
| 804 | V | A | 0.0000 | |
| 805 | E | A | -1.9193 | |
| 806 | S | A | -0.9221 | |
| 807 | V | A | 0.0000 | |
| 808 | R | A | -2.7454 | |
| 809 | G | A | -1.3468 | |
| 810 | S | A | -0.7719 | |
| 811 | G | A | 0.0000 | |
| 812 | P | A | 0.0000 | |
| 813 | P | A | -0.5510 | |
| 814 | L | A | 0.0000 | |
| 815 | T | A | -0.2862 | |
| 816 | H | A | 0.4686 | |
| 817 | Q | A | 0.0000 | |
| 818 | V | A | 1.1507 | |
| 819 | M | A | 0.0000 | |
| 820 | Y | A | 0.9342 | |
| 821 | I | A | 0.0000 | |
| 822 | P | A | 0.0000 | |
| 823 | P | A | -0.4658 | |
| 824 | G | A | -0.5423 | |
| 825 | G | A | -0.1219 | |
| 826 | P | A | -0.1094 | |
| 827 | I | A | 0.0000 | |
| 828 | P | A | -0.4180 | |
| 829 | K | A | 0.0000 | |
| 830 | S | A | -0.1417 | |
| 831 | T | A | -0.5664 | |
| 832 | T | A | -0.9730 | |
| 833 | D | A | -1.8397 | |
| 834 | Y | A | -0.8501 | |
| 835 | A | A | 0.0000 | |
| 836 | W | A | 0.6178 | |
| 837 | Q | A | 0.0000 | |
| 838 | T | A | -0.0705 | |
| 839 | S | A | -0.2889 | |
| 840 | T | A | -0.1154 | |
| 841 | N | A | 0.0580 | |
| 842 | P | A | 0.5061 | |
| 843 | S | A | 0.0000 | |
| 844 | I | A | 1.4775 | |
| 845 | F | A | 0.0000 | |
| 846 | W | A | 0.5859 | |
| 847 | T | A | 0.0000 | |
| 848 | E | A | -1.4928 | |
| 849 | G | A | -1.0349 | |
| 850 | S | A | -0.9580 | |
| 851 | G | A | -0.7921 | |
| 852 | Q | A | -0.8150 | |
| 853 | L | A | 0.0000 | |
| 854 | V | A | 0.5242 | |
| 855 | L | A | 0.0000 | |
| 856 | Y | A | -0.1664 | |
| 857 | D | A | -1.4734 | |
| 858 | I | A | 0.0000 | |
| 859 | Y | A | 0.8273 | |
| 860 | W | A | -0.8195 | |
| 861 | S | A | -1.9890 | |
| 862 | E | A | -3.8476 | |
| 863 | E | A | -4.3717 | |
| 864 | M | A | 0.0000 | |
| 865 | E | A | -4.5574 | |
| 866 | D | A | -4.8741 | |
| 867 | R | A | -4.7637 | |
| 868 | L | A | 0.0000 | |
| 869 | Q | A | -3.7478 | |
| 870 | A | A | -3.3528 | |
| 871 | L | A | 0.0000 | |
| 872 | E | A | -2.8837 | |
| 873 | K | A | -3.2356 | |
| 874 | D | A | -2.8121 | |
| 875 | G | A | 0.0000 | |
| 876 | S | A | -1.7535 | |
| 877 | G | A | -1.5200 | |
| 878 | P | A | 0.0000 | |
| 879 | P | A | 0.0000 | |
| 880 | L | A | -0.5735 | |
| 881 | T | A | 0.0000 | |
| 882 | H | A | 0.5947 | |
| 883 | Q | A | 0.0000 | |
| 884 | V | A | 1.6879 | |
| 885 | M | A | 0.0000 | |
| 886 | Y | A | 0.5690 | |
| 887 | I | A | 0.0000 | |
| 888 | P | A | -0.3611 | |
| 889 | P | A | -0.5771 | |
| 890 | G | A | -0.2116 | |
| 891 | G | A | 0.0879 | |
| 892 | P | A | -0.2776 | |
| 893 | I | A | -0.3857 | |
| 894 | P | A | -0.5502 | |
| 895 | K | A | -0.9846 | |
| 896 | S | A | -0.7834 | |
| 897 | T | A | -0.6028 | |
| 898 | T | A | 0.0000 | |
| 899 | D | A | -0.4900 | |
| 900 | Y | A | 1.1374 | |
| 901 | A | A | 1.0906 | |
| 902 | W | A | 0.6672 | |
| 903 | Q | A | -0.5776 | |
| 904 | T | A | -0.6689 | |
| 905 | S | A | -0.5957 | |
| 906 | T | A | -0.5000 | |
| 907 | N | A | 0.0000 | |
| 908 | P | A | 0.2227 | |
| 909 | S | A | 0.0000 | |
| 910 | I | A | 1.9776 | |
| 911 | F | A | 1.5417 | |
| 912 | W | A | 0.9892 | |
| 913 | T | A | -0.4564 | |
| 914 | E | A | -1.1484 | |
| 915 | G | A | -1.1690 | |
| 916 | S | A | -1.2132 | |
| 917 | G | A | -1.0082 | |
| 918 | R | A | 0.0000 | |
| 919 | V | A | 0.0000 | |
| 920 | I | A | 1.3510 | |
| 921 | S | A | 0.0035 |
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, -0.537 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_0 | -0.537 | View | CSV | PDB |
| model_5 | -0.5377 | View | CSV | PDB |
| model_9 | -0.5541 | View | CSV | PDB |
| model_2 | -0.5592 | View | CSV | PDB |
| model_1 | -0.5607 | View | CSV | PDB |
| model_8 | -0.5674 | View | CSV | PDB |
| CABS_average | -0.5853 | View | CSV | PDB |
| model_3 | -0.5881 | View | CSV | PDB |
| model_10 | -0.6008 | View | CSV | PDB |
| model_4 | -0.6081 | View | CSV | PDB |
| model_7 | -0.6204 | View | CSV | PDB |
| model_6 | -0.6204 | View | CSV | PDB |
| model_11 | -0.6701 | View | CSV | PDB |
| input | -0.6712 | 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