Project name: C27_E11_EF_D68_EF_GSG
Status: done
Started: 2026-07-21 11:07:06
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGVRLDDCGLTEARCKDISSALRVGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELNLRSNELGDVGVHCVLQGLQGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGKLSLQNCCLTGAGCGVLSSTLRTGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELHLSDNLLGDAGLQLLCEGLLGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGKLQLEYCSLSAASCEPLASVLRAGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELTVSNNDINEAGVRVLCQGLKDGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGALKLESCGVTSDNCRDLCGIVASGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELALGSNKLGDVGMAELCPGLLGSGLFTYLRFDAEITILTGSGTLWIWECGITAKGCGDLCRVLRAGSGLFTYLRFDAEITILTGSGELSLAGNELGDEGARLLCETLLGSGLFTYLRFDAEITILTGSGSLWVKSCSFTAACCSHFSSVLAQGSGLFTYLRFDAEITILTGSGELQISNNRLEDAGVRELCQGLGGSGLFTYLRFDAEITILTGSGVLWLADCDVSDSSCSSLAATLLAGSGLFTYLRFDAEITILTGSGELDLSNNCLGDAGILQLVESVRGSGLFTYLRFDAEITILTGSGQLVLYDIYWSEEMEDRLQALEKDGSGLFTYLRFDAEITILTGSGRVIS
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 (00:00:01)
[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 (00:11:36)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:04:56)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:05:03)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:05:10)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:05:17)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:05:24)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:05:31)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:05:38)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:05:45)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:05:52)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:05:59)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:06:06)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:06:13)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:06:20)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:06:37)
[INFO] Main: Simulation completed successfully. (03:06:44)
|
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
- -4.4269
- Maximal score value
- 2.3889
- Average score
- -0.5146
- Total score value
- -453.3321
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 | 0.5647 | |
| 2 | L | A | 1.5356 | |
| 3 | D | A | 0.5886 | |
| 4 | I | A | 0.6261 | |
| 5 | Q | A | -0.1026 | |
| 6 | S | A | -0.2854 | |
| 7 | L | A | -0.2465 | |
| 8 | D | A | -1.4072 | |
| 9 | I | A | -0.9274 | |
| 10 | Q | A | -1.8703 | |
| 11 | C | A | -1.1498 | |
| 12 | E | A | -2.0718 | |
| 13 | E | A | -2.5678 | |
| 14 | L | A | -1.8658 | |
| 15 | S | A | -1.9053 | |
| 16 | D | A | -2.6167 | |
| 17 | A | A | -2.1646 | |
| 18 | R | A | -3.2717 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -2.0165 | |
| 21 | E | A | -2.5707 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.7904 | |
| 24 | P | A | -0.5669 | |
| 25 | L | A | -0.0834 | |
| 26 | L | A | 0.2292 | |
| 27 | Q | A | -0.4234 | |
| 28 | G | A | -0.1943 | |
| 29 | S | A | -0.2803 | |
| 30 | G | A | 0.0000 | |
| 31 | P | A | -0.1516 | |
| 32 | P | A | 0.0000 | |
| 33 | L | A | 0.7459 | |
| 34 | T | A | 0.4032 | |
| 35 | H | A | -0.0605 | |
| 36 | Q | A | 0.7764 | |
| 37 | V | A | 2.1630 | |
| 38 | M | A | 0.0000 | |
| 39 | Y | A | 2.2206 | |
| 40 | I | A | 2.3889 | |
| 41 | P | A | 0.8109 | |
| 42 | P | A | 0.5532 | |
| 43 | G | A | 0.3279 | |
| 44 | G | A | 0.6130 | |
| 45 | P | A | 0.1349 | |
| 46 | I | A | 0.6692 | |
| 47 | P | A | 0.3275 | |
| 48 | K | A | 0.0000 | |
| 49 | S | A | -0.3999 | |
| 50 | T | A | -0.5815 | |
| 51 | T | A | -0.6941 | |
| 52 | D | A | -1.2561 | |
| 53 | Y | A | 0.3936 | |
| 54 | A | A | 0.3487 | |
| 55 | W | A | 0.2099 | |
| 56 | Q | A | 0.0000 | |
| 57 | T | A | -0.2250 | |
| 58 | S | A | -0.2778 | |
| 59 | T | A | 0.1158 | |
| 60 | N | A | 0.3308 | |
| 61 | P | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | I | A | 1.2449 | |
| 64 | F | A | 0.0000 | |
| 65 | W | A | 0.8008 | |
| 66 | T | A | 0.0000 | |
| 67 | E | A | -1.6021 | |
| 68 | G | A | -1.0297 | |
| 69 | S | A | -0.6759 | |
| 70 | G | A | 0.0000 | |
| 71 | V | A | 0.0000 | |
| 72 | R | A | -1.2674 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | 0.0000 | |
| 75 | D | A | -2.5658 | |
| 76 | C | A | 0.0000 | |
| 77 | G | A | -2.1605 | |
| 78 | L | A | 0.0000 | |
| 79 | T | A | -1.8116 | |
| 80 | E | A | -1.8930 | |
| 81 | A | A | -1.7045 | |
| 82 | R | A | 0.0000 | |
| 83 | C | A | 0.0000 | |
| 84 | K | A | -2.3027 | |
| 85 | D | A | -2.1816 | |
| 86 | I | A | 0.0000 | |
| 87 | S | A | -1.4287 | |
| 88 | S | A | -1.0987 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | -0.9429 | |
| 91 | R | A | -1.4958 | |
| 92 | V | A | 0.5908 | |
| 93 | G | A | -0.2663 | |
| 94 | S | A | -0.4511 | |
| 95 | G | A | -0.5234 | |
| 96 | P | A | 0.0000 | |
| 97 | P | A | -0.2391 | |
| 98 | L | A | 0.0000 | |
| 99 | T | A | 0.0000 | |
| 100 | H | A | 0.0000 | |
| 101 | Q | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | M | A | 0.0000 | |
| 104 | Y | A | 0.0210 | |
| 105 | I | A | 0.0000 | |
| 106 | P | A | -0.4495 | |
| 107 | P | A | -0.4548 | |
| 108 | G | A | -0.0675 | |
| 109 | G | A | -0.5512 | |
| 110 | P | A | -0.5807 | |
| 111 | I | A | 0.0000 | |
| 112 | P | A | -0.5028 | |
| 113 | K | A | 0.0000 | |
| 114 | S | A | -0.6369 | |
| 115 | T | A | -0.7431 | |
| 116 | T | A | -1.2412 | |
| 117 | D | A | -2.1247 | |
| 118 | Y | A | 0.0000 | |
| 119 | A | A | -0.8794 | |
| 120 | W | A | 0.0000 | |
| 121 | Q | A | -0.4715 | |
| 122 | T | A | -0.1156 | |
| 123 | S | A | -0.2058 | |
| 124 | T | A | -0.1785 | |
| 125 | N | A | 0.0000 | |
| 126 | P | A | 0.1754 | |
| 127 | S | A | 0.0000 | |
| 128 | I | A | 0.9565 | |
| 129 | F | A | 0.0000 | |
| 130 | W | A | 0.5974 | |
| 131 | T | A | 0.0000 | |
| 132 | E | A | -0.8150 | |
| 133 | G | A | -0.9767 | |
| 134 | S | A | -0.8758 | |
| 135 | G | A | -0.6621 | |
| 136 | E | A | -0.6147 | |
| 137 | L | A | -0.1137 | |
| 138 | N | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -1.7259 | |
| 141 | S | A | -1.6306 | |
| 142 | N | A | -1.9500 | |
| 143 | E | A | -2.3259 | |
| 144 | L | A | -1.2322 | |
| 145 | G | A | -0.5711 | |
| 146 | D | A | 0.0098 | |
| 147 | V | A | 0.8968 | |
| 148 | G | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | H | A | -0.3662 | |
| 151 | C | A | -0.8371 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.6839 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | -1.0274 | |
| 157 | Q | A | -1.6565 | |
| 158 | G | A | -1.2724 | |
| 159 | S | A | -1.0612 | |
| 160 | G | A | -0.8520 | |
| 161 | P | A | -0.5990 | |
| 162 | P | A | -0.3864 | |
| 163 | L | A | 0.0386 | |
| 164 | T | A | 0.0000 | |
| 165 | H | A | 0.0000 | |
| 166 | Q | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | M | A | 0.5003 | |
| 169 | Y | A | 0.0000 | |
| 170 | I | A | 0.1993 | |
| 171 | P | A | 0.0000 | |
| 172 | P | A | -0.6263 | |
| 173 | G | A | -0.9984 | |
| 174 | G | A | -1.2626 | |
| 175 | P | A | -0.8762 | |
| 176 | I | A | 0.0000 | |
| 177 | P | A | -0.8024 | |
| 178 | K | A | 0.0000 | |
| 179 | S | A | -0.4426 | |
| 180 | T | A | -0.0983 | |
| 181 | T | A | 0.0000 | |
| 182 | D | A | 0.0484 | |
| 183 | Y | A | 0.3452 | |
| 184 | A | A | -0.0165 | |
| 185 | W | A | 0.0000 | |
| 186 | Q | A | 0.0000 | |
| 187 | T | A | -0.3939 | |
| 188 | S | A | -0.3887 | |
| 189 | T | A | -0.4913 | |
| 190 | N | A | -0.4492 | |
| 191 | P | A | 0.0053 | |
| 192 | S | A | 0.0000 | |
| 193 | I | A | 0.9538 | |
| 194 | F | A | 0.0000 | |
| 195 | W | A | 0.4744 | |
| 196 | T | A | 0.0000 | |
| 197 | E | A | -0.5397 | |
| 198 | G | A | -0.7016 | |
| 199 | S | A | -0.7782 | |
| 200 | G | A | -0.6032 | |
| 201 | K | A | -0.5509 | |
| 202 | L | A | 0.1189 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | -0.1244 | |
| 205 | Q | A | -0.7920 | |
| 206 | N | A | -1.0086 | |
| 207 | C | A | -0.4133 | |
| 208 | C | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | -0.0132 | |
| 211 | G | A | -0.2350 | |
| 212 | A | A | 0.0926 | |
| 213 | G | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | G | A | -0.1430 | |
| 216 | V | A | -0.1860 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | -0.7994 | |
| 219 | S | A | -1.0296 | |
| 220 | T | A | 0.0000 | |
| 221 | L | A | -1.3235 | |
| 222 | R | A | -2.2430 | |
| 223 | T | A | -1.3669 | |
| 224 | G | A | -1.3007 | |
| 225 | S | A | -1.1493 | |
| 226 | G | A | -0.9116 | |
| 227 | P | A | -0.7867 | |
| 228 | P | A | -0.7464 | |
| 229 | L | A | 0.0000 | |
| 230 | T | A | -0.3591 | |
| 231 | H | A | 0.0582 | |
| 232 | Q | A | 0.0000 | |
| 233 | V | A | 0.7003 | |
| 234 | M | A | 0.0000 | |
| 235 | Y | A | 0.0000 | |
| 236 | I | A | 0.2703 | |
| 237 | P | A | -0.2063 | |
| 238 | P | A | -0.2360 | |
| 239 | G | A | -0.0176 | |
| 240 | G | A | 0.0000 | |
| 241 | P | A | 0.4315 | |
| 242 | I | A | 0.7328 | |
| 243 | P | A | 0.0776 | |
| 244 | K | A | -0.3438 | |
| 245 | S | A | -0.2528 | |
| 246 | T | A | 0.2286 | |
| 247 | T | A | 0.0000 | |
| 248 | D | A | 0.0000 | |
| 249 | Y | A | 0.8707 | |
| 250 | A | A | 0.3347 | |
| 251 | W | A | 0.3553 | |
| 252 | Q | A | -0.2329 | |
| 253 | T | A | -0.2800 | |
| 254 | S | A | -0.3424 | |
| 255 | T | A | -0.2536 | |
| 256 | N | A | 0.0000 | |
| 257 | P | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | I | A | 0.5041 | |
| 260 | F | A | 0.0000 | |
| 261 | W | A | 0.0213 | |
| 262 | T | A | -0.3800 | |
| 263 | E | A | -0.6337 | |
| 264 | G | A | -0.7502 | |
| 265 | S | A | -0.8712 | |
| 266 | G | A | -0.8852 | |
| 267 | E | A | -1.0228 | |
| 268 | L | A | -0.3211 | |
| 269 | H | A | -0.5399 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | -0.5095 | |
| 272 | D | A | -0.4539 | |
| 273 | N | A | -0.5808 | |
| 274 | L | A | 0.8547 | |
| 275 | L | A | 0.0000 | |
| 276 | G | A | -0.3853 | |
| 277 | D | A | -1.0119 | |
| 278 | A | A | -0.4971 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | Q | A | -1.6442 | |
| 282 | L | A | -0.1995 | |
| 283 | L | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | E | A | -1.9770 | |
| 286 | G | A | -1.4965 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | -0.7688 | |
| 289 | G | A | -1.2798 | |
| 290 | S | A | -1.1042 | |
| 291 | G | A | -0.8482 | |
| 292 | P | A | -0.7317 | |
| 293 | P | A | -0.5563 | |
| 294 | L | A | -0.2877 | |
| 295 | T | A | -0.3900 | |
| 296 | H | A | -0.1790 | |
| 297 | Q | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | M | A | 0.0000 | |
| 300 | Y | A | 0.1243 | |
| 301 | I | A | 0.0250 | |
| 302 | P | A | -0.1841 | |
| 303 | P | A | -0.3584 | |
| 304 | G | A | -0.2601 | |
| 305 | G | A | 0.0917 | |
| 306 | P | A | 0.4830 | |
| 307 | I | A | 1.0335 | |
| 308 | P | A | 0.3107 | |
| 309 | K | A | -0.9157 | |
| 310 | S | A | -0.2854 | |
| 311 | T | A | -0.1532 | |
| 312 | T | A | -0.0941 | |
| 313 | D | A | 0.0000 | |
| 314 | Y | A | 1.3302 | |
| 315 | A | A | 1.1101 | |
| 316 | W | A | 1.3259 | |
| 317 | Q | A | 0.0000 | |
| 318 | T | A | -0.0990 | |
| 319 | S | A | -0.3040 | |
| 320 | T | A | -0.7254 | |
| 321 | N | A | -0.9800 | |
| 322 | P | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | I | A | 0.8764 | |
| 325 | F | A | 0.0000 | |
| 326 | W | A | 0.3084 | |
| 327 | T | A | -0.2283 | |
| 328 | E | A | -0.7028 | |
| 329 | G | A | -0.8002 | |
| 330 | S | A | -0.9950 | |
| 331 | G | A | -1.2073 | |
| 332 | K | A | -1.6978 | |
| 333 | L | A | -0.8933 | |
| 334 | Q | A | -0.7966 | |
| 335 | L | A | 0.0000 | |
| 336 | E | A | -0.9139 | |
| 337 | Y | A | -0.2519 | |
| 338 | C | A | 0.0000 | |
| 339 | S | A | -1.0190 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -1.4520 | |
| 342 | A | A | -1.3976 | |
| 343 | A | A | -0.9855 | |
| 344 | S | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | E | A | -2.1554 | |
| 347 | P | A | -1.7261 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | S | A | -1.5973 | |
| 351 | V | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | R | A | -2.7505 | |
| 354 | A | A | -1.3317 | |
| 355 | G | A | -1.4030 | |
| 356 | S | A | -1.5893 | |
| 357 | G | A | -1.0354 | |
| 358 | P | A | -0.7685 | |
| 359 | P | A | -0.4768 | |
| 360 | L | A | -0.0241 | |
| 361 | T | A | -0.0598 | |
| 362 | H | A | 0.3455 | |
| 363 | Q | A | 0.0000 | |
| 364 | V | A | 0.9348 | |
| 365 | M | A | 0.0000 | |
| 366 | Y | A | 0.5785 | |
| 367 | I | A | 0.5100 | |
| 368 | P | A | -0.0890 | |
| 369 | P | A | -0.2808 | |
| 370 | G | A | -0.3021 | |
| 371 | G | A | 0.1906 | |
| 372 | P | A | 0.5233 | |
| 373 | I | A | 0.3244 | |
| 374 | P | A | -0.3728 | |
| 375 | K | A | -0.9963 | |
| 376 | S | A | -0.7536 | |
| 377 | T | A | -0.3402 | |
| 378 | T | A | 0.0000 | |
| 379 | D | A | 0.0000 | |
| 380 | Y | A | 0.5770 | |
| 381 | A | A | 0.5126 | |
| 382 | W | A | 0.5664 | |
| 383 | Q | A | 0.2458 | |
| 384 | T | A | 0.0546 | |
| 385 | S | A | -0.1826 | |
| 386 | T | A | -0.0777 | |
| 387 | N | A | 0.0000 | |
| 388 | P | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | I | A | 0.9901 | |
| 391 | F | A | 0.0000 | |
| 392 | W | A | 0.7702 | |
| 393 | T | A | 0.0000 | |
| 394 | E | A | -0.8979 | |
| 395 | G | A | 0.0000 | |
| 396 | S | A | -1.0288 | |
| 397 | G | A | -1.0765 | |
| 398 | E | A | -1.4167 | |
| 399 | L | A | 0.0000 | |
| 400 | T | A | -0.5638 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | -1.0096 | |
| 403 | N | A | -1.6196 | |
| 404 | N | A | 0.0000 | |
| 405 | D | A | -2.4928 | |
| 406 | I | A | -2.1069 | |
| 407 | N | A | -2.5917 | |
| 408 | E | A | -2.9934 | |
| 409 | A | A | -1.6789 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | R | A | -2.2422 | |
| 413 | V | A | -1.5261 | |
| 414 | L | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | Q | A | -2.5879 | |
| 417 | G | A | 0.0000 | |
| 418 | L | A | -2.1255 | |
| 419 | K | A | -3.1699 | |
| 420 | D | A | -3.3774 | |
| 421 | G | A | 0.0000 | |
| 422 | S | A | -2.0165 | |
| 423 | G | A | -1.3296 | |
| 424 | P | A | -0.7841 | |
| 425 | P | A | -0.6338 | |
| 426 | L | A | 0.0000 | |
| 427 | T | A | 0.1586 | |
| 428 | H | A | 0.0000 | |
| 429 | Q | A | 0.0000 | |
| 430 | V | A | 0.8410 | |
| 431 | M | A | 0.0000 | |
| 432 | Y | A | 0.2248 | |
| 433 | I | A | -0.1548 | |
| 434 | P | A | -0.4408 | |
| 435 | P | A | -0.3981 | |
| 436 | G | A | -0.2707 | |
| 437 | G | A | 0.0000 | |
| 438 | P | A | 0.0000 | |
| 439 | I | A | -0.5643 | |
| 440 | P | A | -0.9780 | |
| 441 | K | A | -1.5939 | |
| 442 | S | A | -1.0279 | |
| 443 | T | A | -1.0392 | |
| 444 | T | A | -1.3678 | |
| 445 | D | A | -1.8694 | |
| 446 | Y | A | -1.0150 | |
| 447 | A | A | -0.5394 | |
| 448 | W | A | 0.0000 | |
| 449 | Q | A | -0.4227 | |
| 450 | T | A | 0.0000 | |
| 451 | S | A | -0.5637 | |
| 452 | T | A | -0.5334 | |
| 453 | N | A | -0.5190 | |
| 454 | P | A | 0.0236 | |
| 455 | S | A | 0.0000 | |
| 456 | I | A | 0.8258 | |
| 457 | F | A | 0.6008 | |
| 458 | W | A | 0.6397 | |
| 459 | T | A | 0.0000 | |
| 460 | E | A | -0.6778 | |
| 461 | G | A | -0.8295 | |
| 462 | S | A | -0.8354 | |
| 463 | G | A | -0.7934 | |
| 464 | A | A | -0.8063 | |
| 465 | L | A | 0.0000 | |
| 466 | K | A | -0.5770 | |
| 467 | L | A | 0.0000 | |
| 468 | E | A | -1.0155 | |
| 469 | S | A | -1.8037 | |
| 470 | C | A | 0.0000 | |
| 471 | G | A | -2.1888 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.8283 | |
| 474 | S | A | -1.4243 | |
| 475 | D | A | -2.7989 | |
| 476 | N | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | R | A | -2.8680 | |
| 479 | D | A | -2.2778 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | -1.2620 | |
| 482 | G | A | -1.1540 | |
| 483 | I | A | -1.1110 | |
| 484 | V | A | -0.3569 | |
| 485 | A | A | -0.2288 | |
| 486 | S | A | -0.6326 | |
| 487 | G | A | -0.6442 | |
| 488 | S | A | -0.4112 | |
| 489 | G | A | -0.4038 | |
| 490 | P | A | -0.2590 | |
| 491 | P | A | -0.1625 | |
| 492 | L | A | 0.1147 | |
| 493 | T | A | 0.0576 | |
| 494 | H | A | 0.0000 | |
| 495 | Q | A | 0.0000 | |
| 496 | V | A | 0.5859 | |
| 497 | M | A | 0.0000 | |
| 498 | Y | A | -0.2605 | |
| 499 | I | A | -0.4527 | |
| 500 | P | A | -0.5208 | |
| 501 | P | A | -0.6314 | |
| 502 | G | A | -0.7916 | |
| 503 | G | A | -0.6824 | |
| 504 | P | A | 0.0000 | |
| 505 | I | A | -0.3980 | |
| 506 | P | A | -0.7452 | |
| 507 | K | A | -1.7165 | |
| 508 | S | A | -1.0035 | |
| 509 | T | A | -0.5410 | |
| 510 | T | A | -0.0384 | |
| 511 | D | A | 0.0000 | |
| 512 | Y | A | -0.1305 | |
| 513 | A | A | -0.0307 | |
| 514 | W | A | 0.0220 | |
| 515 | Q | A | -1.1264 | |
| 516 | T | A | 0.0000 | |
| 517 | S | A | -0.7396 | |
| 518 | T | A | -0.8725 | |
| 519 | N | A | -1.5317 | |
| 520 | P | A | -1.1817 | |
| 521 | S | A | 0.0000 | |
| 522 | I | A | 0.1692 | |
| 523 | F | A | 0.0000 | |
| 524 | W | A | 0.5982 | |
| 525 | T | A | 0.0000 | |
| 526 | E | A | 0.0000 | |
| 527 | G | A | 0.0000 | |
| 528 | S | A | -0.6242 | |
| 529 | G | A | -0.6307 | |
| 530 | E | A | -0.8337 | |
| 531 | L | A | -0.0789 | |
| 532 | A | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | S | A | 0.0000 | |
| 536 | N | A | -2.6672 | |
| 537 | K | A | -2.8208 | |
| 538 | L | A | 0.0000 | |
| 539 | G | A | -0.5943 | |
| 540 | D | A | -0.3686 | |
| 541 | V | A | 1.0959 | |
| 542 | G | A | 0.0000 | |
| 543 | M | A | 0.0000 | |
| 544 | A | A | -0.4982 | |
| 545 | E | A | -1.0575 | |
| 546 | L | A | 0.0000 | |
| 547 | C | A | 0.0000 | |
| 548 | P | A | -0.6490 | |
| 549 | G | A | -0.3154 | |
| 550 | L | A | 0.0471 | |
| 551 | L | A | -0.0205 | |
| 552 | G | A | -0.0518 | |
| 553 | S | A | -0.0964 | |
| 554 | G | A | 0.0114 | |
| 555 | L | A | 0.4214 | |
| 556 | F | A | 0.7366 | |
| 557 | T | A | 0.3056 | |
| 558 | Y | A | 0.0000 | |
| 559 | L | A | -0.4278 | |
| 560 | R | A | -1.7857 | |
| 561 | F | A | 0.0000 | |
| 562 | D | A | -3.3408 | |
| 563 | A | A | -2.7509 | |
| 564 | E | A | -2.7936 | |
| 565 | I | A | 0.0000 | |
| 566 | T | A | -0.3188 | |
| 567 | I | A | 0.0000 | |
| 568 | L | A | 0.6215 | |
| 569 | T | A | 0.2221 | |
| 570 | G | A | -0.2146 | |
| 571 | S | A | -0.7217 | |
| 572 | G | A | -0.8373 | |
| 573 | T | A | -0.6018 | |
| 574 | L | A | -0.0557 | |
| 575 | W | A | 0.2551 | |
| 576 | I | A | 0.0000 | |
| 577 | W | A | -1.1595 | |
| 578 | E | A | -2.5870 | |
| 579 | C | A | -2.0366 | |
| 580 | G | A | -1.5662 | |
| 581 | I | A | 0.0000 | |
| 582 | T | A | -1.3958 | |
| 583 | A | A | -1.6464 | |
| 584 | K | A | -1.8374 | |
| 585 | G | A | 0.0000 | |
| 586 | C | A | 0.0000 | |
| 587 | G | A | -1.4503 | |
| 588 | D | A | -1.2786 | |
| 589 | L | A | 0.0000 | |
| 590 | C | A | 0.0000 | |
| 591 | R | A | -1.9498 | |
| 592 | V | A | 0.0000 | |
| 593 | L | A | -0.8766 | |
| 594 | R | A | -1.5921 | |
| 595 | A | A | -0.7628 | |
| 596 | G | A | -0.8445 | |
| 597 | S | A | -0.6328 | |
| 598 | G | A | 0.0591 | |
| 599 | L | A | 0.6136 | |
| 600 | F | A | 0.7228 | |
| 601 | T | A | 0.4585 | |
| 602 | Y | A | 0.3014 | |
| 603 | L | A | 0.0000 | |
| 604 | R | A | -2.3774 | |
| 605 | F | A | 0.0000 | |
| 606 | D | A | -4.0934 | |
| 607 | A | A | -3.1675 | |
| 608 | E | A | -2.7694 | |
| 609 | I | A | 0.0000 | |
| 610 | T | A | -0.3470 | |
| 611 | I | A | 0.0000 | |
| 612 | L | A | 0.7540 | |
| 613 | T | A | 0.5806 | |
| 614 | G | A | -0.1047 | |
| 615 | S | A | -0.5797 | |
| 616 | G | A | -0.9829 | |
| 617 | E | A | -1.3084 | |
| 618 | L | A | 0.0000 | |
| 619 | S | A | 0.0000 | |
| 620 | L | A | 0.0000 | |
| 621 | A | A | 0.0000 | |
| 622 | G | A | -1.4228 | |
| 623 | N | A | 0.0000 | |
| 624 | E | A | -2.1372 | |
| 625 | L | A | 0.0000 | |
| 626 | G | A | 0.0000 | |
| 627 | D | A | -2.2309 | |
| 628 | E | A | -2.9415 | |
| 629 | G | A | 0.0000 | |
| 630 | A | A | 0.0000 | |
| 631 | R | A | -2.9135 | |
| 632 | L | A | -1.8632 | |
| 633 | L | A | 0.0000 | |
| 634 | C | A | 0.0000 | |
| 635 | E | A | -2.2388 | |
| 636 | T | A | 0.0000 | |
| 637 | L | A | -0.7381 | |
| 638 | L | A | -0.7154 | |
| 639 | G | A | -0.9522 | |
| 640 | S | A | -0.6873 | |
| 641 | G | A | 0.0000 | |
| 642 | L | A | 0.0000 | |
| 643 | F | A | 0.0000 | |
| 644 | T | A | 0.4514 | |
| 645 | Y | A | 0.3087 | |
| 646 | L | A | 0.0000 | |
| 647 | R | A | -2.0827 | |
| 648 | F | A | 0.0000 | |
| 649 | D | A | -3.7689 | |
| 650 | A | A | -3.1440 | |
| 651 | E | A | -2.8338 | |
| 652 | I | A | 0.0000 | |
| 653 | T | A | -0.2883 | |
| 654 | I | A | 0.0000 | |
| 655 | L | A | 1.2880 | |
| 656 | T | A | 0.6777 | |
| 657 | G | A | 0.1083 | |
| 658 | S | A | 0.0000 | |
| 659 | G | A | -0.7065 | |
| 660 | S | A | -0.7713 | |
| 661 | L | A | 0.0000 | |
| 662 | W | A | -0.1399 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -0.9622 | |
| 665 | S | A | -1.7288 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.6835 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.2233 | |
| 670 | A | A | -1.2374 | |
| 671 | A | A | -0.7756 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.9999 | |
| 675 | H | A | -1.1791 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.8999 | |
| 678 | S | A | -1.0287 | |
| 679 | V | A | 0.0000 | |
| 680 | L | A | -0.6218 | |
| 681 | A | A | -0.9174 | |
| 682 | Q | A | -1.3824 | |
| 683 | G | A | -0.9190 | |
| 684 | S | A | -0.4609 | |
| 685 | G | A | -0.4339 | |
| 686 | L | A | 0.0000 | |
| 687 | F | A | 0.0000 | |
| 688 | T | A | 0.0751 | |
| 689 | Y | A | 0.0861 | |
| 690 | L | A | 0.0000 | |
| 691 | R | A | -1.8691 | |
| 692 | F | A | 0.0000 | |
| 693 | D | A | -3.2557 | |
| 694 | A | A | 0.0000 | |
| 695 | E | A | -3.3951 | |
| 696 | I | A | 0.0000 | |
| 697 | T | A | -0.4122 | |
| 698 | I | A | 0.0000 | |
| 699 | L | A | 1.6853 | |
| 700 | T | A | 0.0000 | |
| 701 | G | A | 0.2177 | |
| 702 | S | A | -0.5134 | |
| 703 | G | A | -0.6385 | |
| 704 | E | A | -0.9189 | |
| 705 | L | A | -0.1095 | |
| 706 | Q | A | -0.1924 | |
| 707 | I | A | 0.0000 | |
| 708 | S | A | 0.0000 | |
| 709 | N | A | -2.2211 | |
| 710 | N | A | -2.9479 | |
| 711 | R | A | -3.2856 | |
| 712 | L | A | 0.0000 | |
| 713 | E | A | -3.4046 | |
| 714 | D | A | -2.9495 | |
| 715 | A | A | -1.7623 | |
| 716 | G | A | 0.0000 | |
| 717 | V | A | 0.0000 | |
| 718 | R | A | -2.6720 | |
| 719 | E | A | -2.1151 | |
| 720 | L | A | 0.0000 | |
| 721 | C | A | 0.0000 | |
| 722 | Q | A | -1.9011 | |
| 723 | G | A | 0.0000 | |
| 724 | L | A | -0.7124 | |
| 725 | G | A | -0.5427 | |
| 726 | G | A | -0.8800 | |
| 727 | S | A | -0.3688 | |
| 728 | G | A | -0.0912 | |
| 729 | L | A | 0.3775 | |
| 730 | F | A | 0.0000 | |
| 731 | T | A | 0.3227 | |
| 732 | Y | A | 0.1110 | |
| 733 | L | A | 0.0000 | |
| 734 | R | A | -1.7164 | |
| 735 | F | A | 0.0000 | |
| 736 | D | A | -3.1767 | |
| 737 | A | A | 0.0000 | |
| 738 | E | A | -3.1973 | |
| 739 | I | A | 0.0000 | |
| 740 | T | A | -0.4041 | |
| 741 | I | A | 0.0000 | |
| 742 | L | A | 1.1328 | |
| 743 | T | A | 0.6770 | |
| 744 | G | A | 0.1541 | |
| 745 | S | A | -0.5940 | |
| 746 | G | A | -0.6100 | |
| 747 | V | A | 0.0000 | |
| 748 | L | A | -0.0663 | |
| 749 | W | A | 0.2168 | |
| 750 | L | A | 0.0000 | |
| 751 | A | A | 0.0000 | |
| 752 | D | A | -2.6600 | |
| 753 | C | A | 0.0000 | |
| 754 | D | A | -3.0711 | |
| 755 | V | A | 0.0000 | |
| 756 | S | A | -2.2079 | |
| 757 | D | A | -2.2134 | |
| 758 | S | A | -1.5995 | |
| 759 | S | A | 0.0000 | |
| 760 | C | A | 0.0000 | |
| 761 | S | A | -0.8177 | |
| 762 | S | A | -0.9402 | |
| 763 | L | A | 0.0000 | |
| 764 | A | A | 0.1641 | |
| 765 | A | A | 0.2436 | |
| 766 | T | A | 0.0885 | |
| 767 | L | A | 0.9902 | |
| 768 | L | A | 1.1560 | |
| 769 | A | A | 0.7030 | |
| 770 | G | A | 0.1288 | |
| 771 | S | A | 0.2022 | |
| 772 | G | A | 0.0000 | |
| 773 | L | A | 0.0000 | |
| 774 | F | A | 0.0000 | |
| 775 | T | A | 0.3312 | |
| 776 | Y | A | 0.2473 | |
| 777 | L | A | 0.0000 | |
| 778 | R | A | -2.0304 | |
| 779 | F | A | 0.0000 | |
| 780 | D | A | -3.4231 | |
| 781 | A | A | -2.7155 | |
| 782 | E | A | -2.6175 | |
| 783 | I | A | 0.0000 | |
| 784 | T | A | -0.2602 | |
| 785 | I | A | 0.0000 | |
| 786 | L | A | 1.3102 | |
| 787 | T | A | 0.3458 | |
| 788 | G | A | -0.2339 | |
| 789 | S | A | -0.8331 | |
| 790 | G | A | -1.0139 | |
| 791 | E | A | -1.1547 | |
| 792 | L | A | 0.0000 | |
| 793 | D | A | 0.0000 | |
| 794 | L | A | 0.0000 | |
| 795 | S | A | 0.0000 | |
| 796 | N | A | -1.0300 | |
| 797 | N | A | -1.5788 | |
| 798 | C | A | 0.0000 | |
| 799 | L | A | -0.3764 | |
| 800 | G | A | -0.8267 | |
| 801 | D | A | -1.2614 | |
| 802 | A | A | -0.6684 | |
| 803 | G | A | 0.0000 | |
| 804 | I | A | 0.0000 | |
| 805 | L | A | -0.5658 | |
| 806 | Q | A | -1.1680 | |
| 807 | L | A | 0.0000 | |
| 808 | V | A | 0.0000 | |
| 809 | E | A | -2.3666 | |
| 810 | S | A | 0.0000 | |
| 811 | V | A | -1.4625 | |
| 812 | R | A | -3.0979 | |
| 813 | G | A | -1.4255 | |
| 814 | S | A | -0.6681 | |
| 815 | G | A | 0.1210 | |
| 816 | L | A | 0.0000 | |
| 817 | F | A | 0.0000 | |
| 818 | T | A | 0.6185 | |
| 819 | Y | A | 0.6830 | |
| 820 | L | A | 0.0000 | |
| 821 | R | A | -1.2762 | |
| 822 | F | A | 0.0000 | |
| 823 | D | A | -3.3326 | |
| 824 | A | A | -2.6050 | |
| 825 | E | A | -2.3796 | |
| 826 | I | A | 0.0000 | |
| 827 | T | A | -0.0754 | |
| 828 | I | A | 0.0000 | |
| 829 | L | A | 1.5294 | |
| 830 | T | A | 0.8637 | |
| 831 | G | A | -0.0602 | |
| 832 | S | A | 0.0000 | |
| 833 | G | A | -1.4007 | |
| 834 | Q | A | -1.2206 | |
| 835 | L | A | 0.0000 | |
| 836 | V | A | 0.4153 | |
| 837 | L | A | 0.0000 | |
| 838 | Y | A | 0.5862 | |
| 839 | D | A | -0.6536 | |
| 840 | I | A | 0.3642 | |
| 841 | Y | A | 0.5808 | |
| 842 | W | A | -0.7600 | |
| 843 | S | A | -2.0452 | |
| 844 | E | A | -4.0175 | |
| 845 | E | A | -4.2668 | |
| 846 | M | A | 0.0000 | |
| 847 | E | A | -4.4197 | |
| 848 | D | A | -4.4269 | |
| 849 | R | A | -3.8705 | |
| 850 | L | A | -3.4172 | |
| 851 | Q | A | -4.0784 | |
| 852 | A | A | -3.3094 | |
| 853 | L | A | 0.0000 | |
| 854 | E | A | -3.9761 | |
| 855 | K | A | -3.5472 | |
| 856 | D | A | -3.2881 | |
| 857 | G | A | -2.2422 | |
| 858 | S | A | -0.9746 | |
| 859 | G | A | 0.3530 | |
| 860 | L | A | 1.9934 | |
| 861 | F | A | 0.0000 | |
| 862 | T | A | 1.1987 | |
| 863 | Y | A | 1.5756 | |
| 864 | L | A | 1.1595 | |
| 865 | R | A | -0.1493 | |
| 866 | F | A | -0.2968 | |
| 867 | D | A | -2.1066 | |
| 868 | A | A | -1.7905 | |
| 869 | E | A | -1.9494 | |
| 870 | I | A | 0.0000 | |
| 871 | T | A | 0.5157 | |
| 872 | I | A | 1.5818 | |
| 873 | L | A | 2.2341 | |
| 874 | T | A | 1.1688 | |
| 875 | G | A | -0.1751 | |
| 876 | S | A | 0.0000 | |
| 877 | G | A | 0.0000 | |
| 878 | R | A | -2.6935 | |
| 879 | V | A | 0.0000 | |
| 880 | I | A | 0.0188 | |
| 881 | S | A | -0.0896 |
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, -0.5146 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_3 | -0.5146 | View | CSV | PDB |
| model_9 | -0.5312 | View | CSV | PDB |
| model_11 | -0.5331 | View | CSV | PDB |
| model_1 | -0.5434 | View | CSV | PDB |
| input | -0.5495 | View | CSV | PDB |
| model_4 | -0.5556 | View | CSV | PDB |
| model_0 | -0.5556 | View | CSV | PDB |
| CABS_average | -0.5558 | View | CSV | PDB |
| model_6 | -0.5628 | View | CSV | PDB |
| model_10 | -0.5664 | View | CSV | PDB |
| model_5 | -0.5696 | View | CSV | PDB |
| model_7 | -0.5728 | View | CSV | PDB |
| model_2 | -0.5771 | View | CSV | PDB |
| model_8 | -0.5878 | 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