Project name: C26_E11_EF_E30_EF_DIRECT
Status: done
Started: 2026-07-21 10:55:51
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEALKLESCGVTSDNCRDLCGIVASPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELALGSNKLGDVGMAELCPGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTERVIS
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 (00:18:27)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:59:11)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:59:25)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:59:37)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:59:50)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (05:00:02)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (05:00:15)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (05:00:26)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (05:00:40)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (05:00:54)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (05:01:07)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (05:01:18)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (05:01:29)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (05:01:42)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (05:02:10)
[INFO] Main: Simulation completed successfully. (05:02:24)
|
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
- -4.2056
- Maximal score value
- 3.2043
- Average score
- -0.2815
- Total score value
- -270.5144
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 | 0.1377 | |
| 2 | L | A | 0.5971 | |
| 3 | D | A | -1.1439 | |
| 4 | I | A | -0.5108 | |
| 5 | Q | A | -1.3223 | |
| 6 | S | A | -1.1519 | |
| 7 | L | A | -1.0088 | |
| 8 | D | A | -1.9316 | |
| 9 | I | A | -1.6761 | |
| 10 | Q | A | -2.1797 | |
| 11 | C | A | -1.3805 | |
| 12 | E | A | -2.6405 | |
| 13 | E | A | -3.2081 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.2845 | |
| 16 | D | A | -2.6237 | |
| 17 | A | A | -1.8423 | |
| 18 | R | A | -2.5363 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5958 | |
| 21 | E | A | -2.3281 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.6298 | |
| 24 | P | A | -0.5391 | |
| 25 | L | A | -0.0078 | |
| 26 | L | A | 0.0355 | |
| 27 | Q | A | -0.2656 | |
| 28 | P | A | 0.3791 | |
| 29 | P | A | 0.4444 | |
| 30 | L | A | 0.9836 | |
| 31 | T | A | -0.0718 | |
| 32 | H | A | -1.0208 | |
| 33 | Q | A | -0.7611 | |
| 34 | V | A | 0.8175 | |
| 35 | M | A | 1.1504 | |
| 36 | Y | A | 1.5735 | |
| 37 | I | A | 1.3068 | |
| 38 | P | A | 0.3382 | |
| 39 | P | A | -0.3492 | |
| 40 | G | A | -0.3973 | |
| 41 | G | A | 0.2005 | |
| 42 | P | A | 0.3617 | |
| 43 | I | A | 1.2614 | |
| 44 | P | A | -0.1708 | |
| 45 | K | A | -1.6310 | |
| 46 | S | A | -1.2152 | |
| 47 | T | A | -0.8627 | |
| 48 | T | A | -0.9659 | |
| 49 | D | A | -1.2281 | |
| 50 | Y | A | -0.2296 | |
| 51 | A | A | 0.6292 | |
| 52 | W | A | 0.7049 | |
| 53 | Q | A | -0.2918 | |
| 54 | T | A | -0.6426 | |
| 55 | S | A | -0.8631 | |
| 56 | T | A | -0.9421 | |
| 57 | N | A | -1.6655 | |
| 58 | P | A | -0.7670 | |
| 59 | S | A | 0.5209 | |
| 60 | I | A | 2.2925 | |
| 61 | F | A | 3.2043 | |
| 62 | W | A | 1.8729 | |
| 63 | T | A | 0.0301 | |
| 64 | E | A | -1.6901 | |
| 65 | V | A | -1.3727 | |
| 66 | R | A | -2.1834 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -1.9558 | |
| 69 | D | A | -2.6904 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.0955 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.4219 | |
| 74 | E | A | -1.6833 | |
| 75 | A | A | -1.0076 | |
| 76 | R | A | -1.5106 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.3140 | |
| 79 | D | A | -1.8845 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -1.2154 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | -0.6683 | |
| 85 | R | A | -1.3542 | |
| 86 | V | A | 0.4610 | |
| 87 | P | A | 0.4258 | |
| 88 | P | A | 0.5263 | |
| 89 | L | A | 1.4759 | |
| 90 | T | A | 0.1520 | |
| 91 | H | A | -0.6957 | |
| 92 | Q | A | -0.2965 | |
| 93 | V | A | 0.3108 | |
| 94 | M | A | 0.8564 | |
| 95 | Y | A | 1.4294 | |
| 96 | I | A | 1.1047 | |
| 97 | P | A | 0.1316 | |
| 98 | P | A | -0.3924 | |
| 99 | G | A | -0.4317 | |
| 100 | G | A | 0.1286 | |
| 101 | P | A | 0.3354 | |
| 102 | I | A | 1.4259 | |
| 103 | P | A | -0.2474 | |
| 104 | K | A | -1.5722 | |
| 105 | S | A | -1.1172 | |
| 106 | T | A | -0.9138 | |
| 107 | T | A | -0.8474 | |
| 108 | D | A | -0.9331 | |
| 109 | Y | A | -0.0382 | |
| 110 | A | A | 0.4820 | |
| 111 | W | A | 0.3997 | |
| 112 | Q | A | -0.5892 | |
| 113 | T | A | -0.8526 | |
| 114 | S | A | -0.8455 | |
| 115 | T | A | -0.7469 | |
| 116 | N | A | -1.0660 | |
| 117 | P | A | -0.5059 | |
| 118 | S | A | 0.3170 | |
| 119 | I | A | 1.8794 | |
| 120 | F | A | 2.4202 | |
| 121 | W | A | 1.4751 | |
| 122 | T | A | 0.0399 | |
| 123 | E | A | -1.2441 | |
| 124 | E | A | -1.5343 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.4235 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.0492 | |
| 129 | S | A | -1.8263 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.4940 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.5019 | |
| 134 | D | A | 0.0703 | |
| 135 | V | A | 0.9856 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.3522 | |
| 139 | C | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.3556 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.5350 | |
| 145 | Q | A | -0.8516 | |
| 146 | P | A | -0.1808 | |
| 147 | P | A | 0.1239 | |
| 148 | L | A | 1.1009 | |
| 149 | T | A | 0.1018 | |
| 150 | H | A | -0.7464 | |
| 151 | Q | A | -0.3088 | |
| 152 | V | A | 0.0576 | |
| 153 | M | A | 0.8484 | |
| 154 | Y | A | 1.1859 | |
| 155 | I | A | 1.0186 | |
| 156 | P | A | 0.1801 | |
| 157 | P | A | -0.4426 | |
| 158 | G | A | -0.4315 | |
| 159 | G | A | 0.0753 | |
| 160 | P | A | 0.2309 | |
| 161 | I | A | 1.3368 | |
| 162 | P | A | -0.1081 | |
| 163 | K | A | -1.4586 | |
| 164 | S | A | -0.9601 | |
| 165 | T | A | -0.7747 | |
| 166 | T | A | -0.7626 | |
| 167 | D | A | -0.6445 | |
| 168 | Y | A | 0.2706 | |
| 169 | A | A | 0.5054 | |
| 170 | W | A | 0.1950 | |
| 171 | Q | A | -0.8287 | |
| 172 | T | A | -0.8122 | |
| 173 | S | A | -0.7489 | |
| 174 | T | A | -0.5356 | |
| 175 | N | A | -0.8215 | |
| 176 | P | A | 0.0000 | |
| 177 | S | A | 0.4935 | |
| 178 | I | A | 1.4996 | |
| 179 | F | A | 1.5934 | |
| 180 | W | A | 0.6329 | |
| 181 | T | A | -0.6936 | |
| 182 | E | A | -1.7960 | |
| 183 | K | A | -1.7571 | |
| 184 | L | A | -0.8943 | |
| 185 | S | A | -0.8082 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.0869 | |
| 188 | N | A | -1.5233 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.1842 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.4975 | |
| 193 | G | A | 0.1568 | |
| 194 | A | A | 0.3929 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.1241 | |
| 198 | V | A | 0.0883 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | -0.4072 | |
| 201 | S | A | -0.6793 | |
| 202 | T | A | -0.7228 | |
| 203 | L | A | -0.5354 | |
| 204 | R | A | -1.5969 | |
| 205 | T | A | -0.7316 | |
| 206 | P | A | -0.0966 | |
| 207 | P | A | 0.4095 | |
| 208 | L | A | 1.2926 | |
| 209 | T | A | 0.2755 | |
| 210 | H | A | -0.4774 | |
| 211 | Q | A | -0.7343 | |
| 212 | V | A | -0.2254 | |
| 213 | M | A | 0.3894 | |
| 214 | Y | A | 0.6625 | |
| 215 | I | A | 0.4911 | |
| 216 | P | A | -0.0216 | |
| 217 | P | A | -0.5274 | |
| 218 | G | A | -0.5322 | |
| 219 | G | A | -0.1528 | |
| 220 | P | A | -0.1908 | |
| 221 | I | A | 0.4363 | |
| 222 | P | A | -0.6930 | |
| 223 | K | A | -1.8177 | |
| 224 | S | A | -1.1647 | |
| 225 | T | A | -0.8263 | |
| 226 | T | A | -0.8484 | |
| 227 | D | A | -0.8821 | |
| 228 | Y | A | -0.2492 | |
| 229 | A | A | 0.2546 | |
| 230 | W | A | 0.3665 | |
| 231 | Q | A | -0.3974 | |
| 232 | T | A | -0.5460 | |
| 233 | S | A | -0.5740 | |
| 234 | T | A | -0.5405 | |
| 235 | N | A | -0.8039 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | 0.4278 | |
| 238 | I | A | 1.3038 | |
| 239 | F | A | 1.5973 | |
| 240 | W | A | 0.7320 | |
| 241 | T | A | -0.6874 | |
| 242 | E | A | -1.9304 | |
| 243 | E | A | -1.5987 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -0.7308 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.5221 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4455 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0652 | |
| 253 | D | A | -0.6965 | |
| 254 | A | A | -0.2965 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.9141 | |
| 258 | L | A | 0.0012 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -0.9336 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.1429 | |
| 264 | L | A | 0.3673 | |
| 265 | P | A | 0.6648 | |
| 266 | P | A | 0.4757 | |
| 267 | L | A | 1.3236 | |
| 268 | T | A | 0.3592 | |
| 269 | H | A | -0.3438 | |
| 270 | Q | A | -0.1978 | |
| 271 | V | A | 0.0601 | |
| 272 | M | A | 0.6616 | |
| 273 | Y | A | 0.9624 | |
| 274 | I | A | 0.9111 | |
| 275 | P | A | 0.1250 | |
| 276 | P | A | -0.4725 | |
| 277 | G | A | -0.3919 | |
| 278 | G | A | 0.0820 | |
| 279 | P | A | 0.2513 | |
| 280 | I | A | 1.2644 | |
| 281 | P | A | -0.3026 | |
| 282 | K | A | -1.5129 | |
| 283 | S | A | -1.0344 | |
| 284 | T | A | -0.7909 | |
| 285 | T | A | -1.0610 | |
| 286 | D | A | -1.0280 | |
| 287 | Y | A | -0.2433 | |
| 288 | A | A | 0.4089 | |
| 289 | W | A | 0.3115 | |
| 290 | Q | A | -0.0757 | |
| 291 | T | A | -0.3815 | |
| 292 | S | A | -0.5088 | |
| 293 | T | A | -0.5848 | |
| 294 | N | A | -0.9041 | |
| 295 | P | A | -0.2100 | |
| 296 | S | A | 0.6434 | |
| 297 | I | A | 1.7697 | |
| 298 | F | A | 1.7422 | |
| 299 | W | A | 0.7716 | |
| 300 | T | A | -0.4229 | |
| 301 | E | A | -1.1981 | |
| 302 | K | A | -1.2943 | |
| 303 | L | A | -0.6389 | |
| 304 | Q | A | -0.4581 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.2343 | |
| 307 | Y | A | 0.5343 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.1251 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9749 | |
| 312 | A | A | -1.1241 | |
| 313 | A | A | -0.6595 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.0919 | |
| 317 | P | A | -1.2318 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -1.0468 | |
| 321 | V | A | -0.3466 | |
| 322 | L | A | -0.9221 | |
| 323 | R | A | -1.6841 | |
| 324 | A | A | -0.2960 | |
| 325 | P | A | 0.2143 | |
| 326 | P | A | 0.7284 | |
| 327 | L | A | 1.5398 | |
| 328 | T | A | 0.2580 | |
| 329 | H | A | -0.4644 | |
| 330 | Q | A | -0.3276 | |
| 331 | V | A | 0.0000 | |
| 332 | M | A | 0.6180 | |
| 333 | Y | A | 0.9898 | |
| 334 | I | A | 0.7110 | |
| 335 | P | A | 0.0524 | |
| 336 | P | A | -0.5050 | |
| 337 | G | A | -0.5117 | |
| 338 | G | A | -0.0944 | |
| 339 | P | A | -0.0899 | |
| 340 | I | A | 0.5585 | |
| 341 | P | A | -0.7091 | |
| 342 | K | A | -1.8451 | |
| 343 | S | A | -1.2590 | |
| 344 | T | A | -0.8738 | |
| 345 | T | A | -1.1092 | |
| 346 | D | A | -1.1195 | |
| 347 | Y | A | -0.2304 | |
| 348 | A | A | 0.3948 | |
| 349 | W | A | 0.2792 | |
| 350 | Q | A | 0.1253 | |
| 351 | T | A | -0.2264 | |
| 352 | S | A | -0.4965 | |
| 353 | T | A | -0.6396 | |
| 354 | N | A | -1.0003 | |
| 355 | P | A | -0.2364 | |
| 356 | S | A | 0.7387 | |
| 357 | I | A | 1.9760 | |
| 358 | F | A | 1.8153 | |
| 359 | W | A | 0.0000 | |
| 360 | T | A | -0.2669 | |
| 361 | E | A | -0.8217 | |
| 362 | E | A | -0.9593 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.6611 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.0680 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.6821 | |
| 372 | E | A | -2.0716 | |
| 373 | A | A | -1.0993 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.1922 | |
| 377 | V | A | -1.3493 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.2252 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -1.3677 | |
| 383 | K | A | -2.3283 | |
| 384 | D | A | -2.0840 | |
| 385 | P | A | -0.7848 | |
| 386 | P | A | 0.0982 | |
| 387 | L | A | 1.2025 | |
| 388 | T | A | 0.4122 | |
| 389 | H | A | -0.0956 | |
| 390 | Q | A | -0.2640 | |
| 391 | V | A | 0.0000 | |
| 392 | M | A | 0.7995 | |
| 393 | Y | A | 1.2279 | |
| 394 | I | A | 0.9198 | |
| 395 | P | A | 0.1512 | |
| 396 | P | A | -0.4516 | |
| 397 | G | A | -0.4271 | |
| 398 | G | A | 0.0832 | |
| 399 | P | A | 0.1906 | |
| 400 | I | A | 1.2064 | |
| 401 | P | A | -0.5458 | |
| 402 | K | A | -1.8038 | |
| 403 | S | A | -1.2701 | |
| 404 | T | A | -0.9776 | |
| 405 | T | A | -1.2850 | |
| 406 | D | A | -1.5062 | |
| 407 | Y | A | -0.5502 | |
| 408 | A | A | 0.4455 | |
| 409 | W | A | 0.4998 | |
| 410 | Q | A | 0.3133 | |
| 411 | T | A | -0.1876 | |
| 412 | S | A | -0.5558 | |
| 413 | T | A | -0.7312 | |
| 414 | N | A | -1.1908 | |
| 415 | P | A | -0.3659 | |
| 416 | S | A | 0.5999 | |
| 417 | I | A | 1.7757 | |
| 418 | F | A | 1.8174 | |
| 419 | W | A | 0.7669 | |
| 420 | T | A | -0.3360 | |
| 421 | E | A | -1.0151 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | -0.4832 | |
| 424 | K | A | -0.5767 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.6158 | |
| 427 | S | A | -1.0864 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.5321 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.6091 | |
| 432 | S | A | -1.5043 | |
| 433 | D | A | -2.7612 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.8241 | |
| 437 | D | A | -2.1245 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.6518 | |
| 440 | G | A | -0.9626 | |
| 441 | I | A | -0.6883 | |
| 442 | V | A | 0.0333 | |
| 443 | A | A | 0.5873 | |
| 444 | S | A | -0.0181 | |
| 445 | P | A | 0.3209 | |
| 446 | P | A | 0.5336 | |
| 447 | L | A | 1.4490 | |
| 448 | T | A | 0.4356 | |
| 449 | H | A | 0.0861 | |
| 450 | Q | A | 0.0698 | |
| 451 | V | A | 0.0000 | |
| 452 | M | A | 1.1968 | |
| 453 | Y | A | 1.4576 | |
| 454 | I | A | 1.1644 | |
| 455 | P | A | 0.2707 | |
| 456 | P | A | -0.3872 | |
| 457 | G | A | -0.4137 | |
| 458 | G | A | 0.1480 | |
| 459 | P | A | 0.2898 | |
| 460 | I | A | 1.1849 | |
| 461 | P | A | -0.2952 | |
| 462 | K | A | -1.6074 | |
| 463 | S | A | -0.9537 | |
| 464 | T | A | -0.6994 | |
| 465 | T | A | -0.6015 | |
| 466 | D | A | -0.4272 | |
| 467 | Y | A | -0.0121 | |
| 468 | A | A | 0.7439 | |
| 469 | W | A | 0.6107 | |
| 470 | Q | A | 0.1834 | |
| 471 | T | A | -0.4306 | |
| 472 | S | A | -0.6249 | |
| 473 | T | A | -0.7328 | |
| 474 | N | A | -1.0939 | |
| 475 | P | A | -0.3494 | |
| 476 | S | A | 0.5225 | |
| 477 | I | A | 1.6370 | |
| 478 | F | A | 1.6020 | |
| 479 | W | A | 0.7144 | |
| 480 | T | A | -0.3282 | |
| 481 | E | A | -1.0082 | |
| 482 | E | A | -1.1179 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.2379 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.2308 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.9610 | |
| 492 | D | A | -0.4359 | |
| 493 | V | A | 0.7441 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.3085 | |
| 497 | E | A | -1.1766 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.5039 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.5905 | |
| 503 | L | A | 0.7386 | |
| 504 | P | A | 0.9519 | |
| 505 | P | A | 1.1478 | |
| 506 | L | A | 1.6399 | |
| 507 | T | A | 0.7354 | |
| 508 | H | A | 0.2165 | |
| 509 | Q | A | 0.0604 | |
| 510 | V | A | 0.6734 | |
| 511 | M | A | 1.1014 | |
| 512 | Y | A | 1.5715 | |
| 513 | V | A | 1.1353 | |
| 514 | P | A | 0.2503 | |
| 515 | P | A | -0.4327 | |
| 516 | G | A | -0.4340 | |
| 517 | G | A | 0.1156 | |
| 518 | P | A | 0.2349 | |
| 519 | I | A | 1.4316 | |
| 520 | P | A | -0.2242 | |
| 521 | K | A | -1.4915 | |
| 522 | S | A | -0.9427 | |
| 523 | Y | A | -0.1972 | |
| 524 | E | A | -1.7483 | |
| 525 | D | A | -1.1506 | |
| 526 | F | A | -0.0981 | |
| 527 | A | A | 0.5121 | |
| 528 | W | A | 0.2738 | |
| 529 | Q | A | -0.6380 | |
| 530 | T | A | -0.7481 | |
| 531 | S | A | -0.7584 | |
| 532 | T | A | -0.7393 | |
| 533 | N | A | -0.8882 | |
| 534 | P | A | -0.2449 | |
| 535 | S | A | 0.5603 | |
| 536 | V | A | 1.6491 | |
| 537 | F | A | 1.7499 | |
| 538 | W | A | 0.8048 | |
| 539 | T | A | -0.3043 | |
| 540 | E | A | -0.9593 | |
| 541 | T | A | -0.7375 | |
| 542 | L | A | -0.1405 | |
| 543 | W | A | 0.0320 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.6204 | |
| 546 | E | A | -2.3338 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.9210 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.6399 | |
| 551 | A | A | -1.7537 | |
| 552 | K | A | -1.9982 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | -1.4045 | |
| 556 | D | A | -1.1870 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.1442 | |
| 560 | V | A | 0.0000 | |
| 561 | L | A | -0.4932 | |
| 562 | R | A | -1.6758 | |
| 563 | A | A | -0.5023 | |
| 564 | P | A | -0.0479 | |
| 565 | P | A | 0.8395 | |
| 566 | L | A | 1.5892 | |
| 567 | T | A | 0.6765 | |
| 568 | H | A | 0.5206 | |
| 569 | Q | A | 0.0583 | |
| 570 | V | A | 0.0000 | |
| 571 | M | A | 0.9175 | |
| 572 | Y | A | 1.2602 | |
| 573 | V | A | 0.9848 | |
| 574 | P | A | 0.2237 | |
| 575 | P | A | -0.4379 | |
| 576 | G | A | -0.4611 | |
| 577 | G | A | 0.0628 | |
| 578 | P | A | 0.1945 | |
| 579 | I | A | 1.1128 | |
| 580 | P | A | 0.0000 | |
| 581 | K | A | -1.9818 | |
| 582 | S | A | -1.2762 | |
| 583 | Y | A | -0.4662 | |
| 584 | E | A | -1.9043 | |
| 585 | D | A | -1.1812 | |
| 586 | F | A | -0.1874 | |
| 587 | A | A | 0.3318 | |
| 588 | W | A | 0.3524 | |
| 589 | Q | A | -0.6440 | |
| 590 | T | A | -0.7233 | |
| 591 | S | A | -0.6116 | |
| 592 | T | A | -0.6998 | |
| 593 | N | A | -0.8723 | |
| 594 | P | A | -0.2499 | |
| 595 | S | A | 0.5461 | |
| 596 | V | A | 1.6865 | |
| 597 | F | A | 1.7792 | |
| 598 | W | A | 0.9001 | |
| 599 | T | A | -0.2105 | |
| 600 | E | A | -0.9662 | |
| 601 | E | A | -0.8448 | |
| 602 | L | A | -0.0736 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.8001 | |
| 606 | G | A | -1.5144 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.5516 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4069 | |
| 611 | D | A | -1.5029 | |
| 612 | E | A | -1.8086 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.3921 | |
| 616 | L | A | -1.2252 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -1.0748 | |
| 620 | T | A | 0.0000 | |
| 621 | L | A | 0.2035 | |
| 622 | L | A | 0.3394 | |
| 623 | P | A | 0.4641 | |
| 624 | P | A | 0.4295 | |
| 625 | L | A | 1.3112 | |
| 626 | T | A | 0.3067 | |
| 627 | H | A | -0.0263 | |
| 628 | Q | A | -0.1886 | |
| 629 | V | A | 0.2113 | |
| 630 | M | A | 0.9493 | |
| 631 | Y | A | 1.4521 | |
| 632 | V | A | 1.0886 | |
| 633 | P | A | 0.2554 | |
| 634 | P | A | -0.4222 | |
| 635 | G | A | -0.4353 | |
| 636 | G | A | 0.1430 | |
| 637 | P | A | 0.1833 | |
| 638 | I | A | 1.1201 | |
| 639 | P | A | -0.6738 | |
| 640 | K | A | -1.8369 | |
| 641 | S | A | -1.2453 | |
| 642 | Y | A | -0.3410 | |
| 643 | E | A | -2.2051 | |
| 644 | D | A | -1.4199 | |
| 645 | F | A | -0.3114 | |
| 646 | A | A | 0.0948 | |
| 647 | W | A | 0.1356 | |
| 648 | Q | A | -0.7301 | |
| 649 | T | A | -0.8377 | |
| 650 | S | A | -0.6212 | |
| 651 | T | A | -0.6752 | |
| 652 | N | A | -0.8202 | |
| 653 | P | A | -0.2749 | |
| 654 | S | A | 0.4243 | |
| 655 | V | A | 1.3481 | |
| 656 | F | A | 1.7406 | |
| 657 | W | A | 0.8738 | |
| 658 | T | A | -0.2805 | |
| 659 | E | A | -1.0933 | |
| 660 | S | A | -0.8031 | |
| 661 | L | A | -0.1963 | |
| 662 | W | A | 0.2086 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -0.7250 | |
| 665 | S | A | -1.6286 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5067 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.1300 | |
| 670 | A | A | -1.2060 | |
| 671 | A | A | -0.8367 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.9527 | |
| 675 | H | A | -0.9224 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.8319 | |
| 678 | S | A | -0.5413 | |
| 679 | V | A | 0.1183 | |
| 680 | L | A | 0.0408 | |
| 681 | A | A | -0.3687 | |
| 682 | Q | A | -0.0844 | |
| 683 | P | A | 0.4062 | |
| 684 | P | A | 0.7035 | |
| 685 | L | A | 1.3608 | |
| 686 | T | A | 0.6594 | |
| 687 | H | A | 0.3118 | |
| 688 | Q | A | -0.0696 | |
| 689 | V | A | 0.1155 | |
| 690 | M | A | 0.7926 | |
| 691 | Y | A | 1.2999 | |
| 692 | V | A | 1.0533 | |
| 693 | P | A | 0.2445 | |
| 694 | P | A | -0.4090 | |
| 695 | G | A | -0.4540 | |
| 696 | G | A | 0.0765 | |
| 697 | P | A | 0.1694 | |
| 698 | I | A | 1.2774 | |
| 699 | P | A | -0.7001 | |
| 700 | K | A | -1.8622 | |
| 701 | S | A | -1.2716 | |
| 702 | Y | A | -0.3507 | |
| 703 | E | A | -2.2539 | |
| 704 | D | A | -1.5194 | |
| 705 | F | A | -0.5223 | |
| 706 | A | A | 0.0704 | |
| 707 | W | A | 0.1016 | |
| 708 | Q | A | -0.7617 | |
| 709 | T | A | -0.7421 | |
| 710 | S | A | -0.6179 | |
| 711 | T | A | -0.7018 | |
| 712 | N | A | -0.8747 | |
| 713 | P | A | -0.3474 | |
| 714 | S | A | 0.4508 | |
| 715 | V | A | 1.4884 | |
| 716 | F | A | 1.6093 | |
| 717 | W | A | 0.7388 | |
| 718 | T | A | -0.2110 | |
| 719 | E | A | -0.9588 | |
| 720 | E | A | -0.8067 | |
| 721 | L | A | 0.0000 | |
| 722 | Q | A | 0.0000 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.2789 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -3.0645 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.6260 | |
| 730 | D | A | -1.9014 | |
| 731 | A | A | -1.1531 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -2.0561 | |
| 735 | E | A | -2.1829 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.7941 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | -0.2817 | |
| 741 | G | A | -0.2118 | |
| 742 | P | A | 0.6444 | |
| 743 | P | A | 0.8535 | |
| 744 | L | A | 1.5161 | |
| 745 | T | A | 0.5930 | |
| 746 | H | A | 0.1894 | |
| 747 | Q | A | -0.1696 | |
| 748 | V | A | -0.2378 | |
| 749 | M | A | 0.8547 | |
| 750 | Y | A | 1.2042 | |
| 751 | V | A | 1.1052 | |
| 752 | P | A | 0.2094 | |
| 753 | P | A | -0.4372 | |
| 754 | G | A | -0.4300 | |
| 755 | G | A | 0.0954 | |
| 756 | P | A | 0.1870 | |
| 757 | I | A | 1.2377 | |
| 758 | P | A | -0.6924 | |
| 759 | K | A | -1.8037 | |
| 760 | S | A | -1.0368 | |
| 761 | Y | A | -0.3044 | |
| 762 | E | A | -2.0874 | |
| 763 | D | A | -1.6055 | |
| 764 | F | A | -0.4130 | |
| 765 | A | A | 0.2165 | |
| 766 | W | A | 0.2682 | |
| 767 | Q | A | -0.2644 | |
| 768 | T | A | -0.5868 | |
| 769 | S | A | -0.6683 | |
| 770 | T | A | -0.6689 | |
| 771 | N | A | -0.8848 | |
| 772 | P | A | -0.3374 | |
| 773 | S | A | 0.4444 | |
| 774 | V | A | 1.4463 | |
| 775 | F | A | 1.7420 | |
| 776 | W | A | 0.7543 | |
| 777 | T | A | -0.2418 | |
| 778 | E | A | -0.9163 | |
| 779 | V | A | -0.4616 | |
| 780 | L | A | 0.0244 | |
| 781 | W | A | 0.0971 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | -1.3905 | |
| 784 | D | A | -2.9667 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -2.6833 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.7798 | |
| 789 | D | A | -0.9624 | |
| 790 | S | A | -0.9468 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.5427 | |
| 794 | S | A | -0.7082 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | 0.3751 | |
| 798 | T | A | 0.3793 | |
| 799 | L | A | 0.7892 | |
| 800 | L | A | 1.3621 | |
| 801 | A | A | 1.0439 | |
| 802 | P | A | 0.7540 | |
| 803 | P | A | 1.0404 | |
| 804 | L | A | 1.5400 | |
| 805 | T | A | 0.5742 | |
| 806 | H | A | 0.1986 | |
| 807 | Q | A | 0.1281 | |
| 808 | V | A | 0.0187 | |
| 809 | M | A | 1.0245 | |
| 810 | Y | A | 1.5609 | |
| 811 | V | A | 1.1718 | |
| 812 | P | A | 0.3269 | |
| 813 | P | A | -0.3684 | |
| 814 | G | A | -0.3988 | |
| 815 | G | A | 0.1642 | |
| 816 | P | A | 0.1949 | |
| 817 | I | A | 1.2196 | |
| 818 | P | A | -0.8303 | |
| 819 | K | A | -2.0623 | |
| 820 | S | A | -1.3735 | |
| 821 | Y | A | -0.5854 | |
| 822 | E | A | -2.1957 | |
| 823 | D | A | -1.9821 | |
| 824 | F | A | -0.6575 | |
| 825 | A | A | 0.2165 | |
| 826 | W | A | 0.5132 | |
| 827 | Q | A | 0.0833 | |
| 828 | T | A | -0.4128 | |
| 829 | S | A | -0.4790 | |
| 830 | T | A | -0.7811 | |
| 831 | N | A | -1.1804 | |
| 832 | P | A | -0.4974 | |
| 833 | S | A | 0.3837 | |
| 834 | V | A | 1.5292 | |
| 835 | F | A | 1.6230 | |
| 836 | W | A | 0.8182 | |
| 837 | T | A | -0.1915 | |
| 838 | E | A | -0.9355 | |
| 839 | E | A | -0.8355 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -2.0778 | |
| 845 | N | A | 0.0000 | |
| 846 | C | A | -0.3151 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.1242 | |
| 849 | D | A | -1.1802 | |
| 850 | A | A | -0.5525 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.6881 | |
| 854 | Q | A | -1.0004 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | 0.0000 | |
| 857 | E | A | -1.6233 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | -0.1140 | |
| 860 | R | A | -0.5390 | |
| 861 | P | A | -0.0022 | |
| 862 | P | A | 0.4780 | |
| 863 | L | A | 0.9766 | |
| 864 | T | A | 0.0152 | |
| 865 | H | A | -0.3995 | |
| 866 | Q | A | -0.0758 | |
| 867 | V | A | 0.0228 | |
| 868 | M | A | 0.9721 | |
| 869 | Y | A | 1.6595 | |
| 870 | V | A | 1.2592 | |
| 871 | P | A | 0.3242 | |
| 872 | P | A | -0.3855 | |
| 873 | G | A | -0.4122 | |
| 874 | G | A | 0.1696 | |
| 875 | P | A | 0.1969 | |
| 876 | I | A | 1.4257 | |
| 877 | P | A | -0.3076 | |
| 878 | K | A | -1.5972 | |
| 879 | S | A | -1.0668 | |
| 880 | Y | A | -0.3827 | |
| 881 | E | A | -1.7852 | |
| 882 | D | A | -1.7421 | |
| 883 | F | A | -0.3535 | |
| 884 | A | A | 0.3763 | |
| 885 | W | A | 0.5355 | |
| 886 | Q | A | -0.3718 | |
| 887 | T | A | -0.5915 | |
| 888 | S | A | -0.8363 | |
| 889 | T | A | -1.1790 | |
| 890 | N | A | -1.7998 | |
| 891 | P | A | -0.7832 | |
| 892 | S | A | 0.3457 | |
| 893 | V | A | 1.8082 | |
| 894 | F | A | 2.3509 | |
| 895 | W | A | 1.1962 | |
| 896 | T | A | -0.5178 | |
| 897 | E | A | -1.5022 | |
| 898 | Q | A | -1.3280 | |
| 899 | L | A | 0.0000 | |
| 900 | V | A | 0.0000 | |
| 901 | L | A | 0.0000 | |
| 902 | Y | A | -0.2069 | |
| 903 | D | A | -1.5984 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.6255 | |
| 906 | W | A | -0.4990 | |
| 907 | S | A | -1.9060 | |
| 908 | E | A | -3.4762 | |
| 909 | E | A | -3.8545 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.2879 | |
| 912 | D | A | -4.2056 | |
| 913 | R | A | -3.4085 | |
| 914 | L | A | -2.7036 | |
| 915 | Q | A | -3.4053 | |
| 916 | A | A | -3.0106 | |
| 917 | L | A | -2.6370 | |
| 918 | E | A | -4.0646 | |
| 919 | K | A | -3.8021 | |
| 920 | D | A | -3.1529 | |
| 921 | P | A | -2.2253 | |
| 922 | P | A | -0.8775 | |
| 923 | L | A | -0.0634 | |
| 924 | T | A | -0.2575 | |
| 925 | H | A | -0.8331 | |
| 926 | Q | A | -0.7630 | |
| 927 | V | A | 0.7592 | |
| 928 | M | A | 1.2999 | |
| 929 | Y | A | 1.4239 | |
| 930 | V | A | 1.1880 | |
| 931 | P | A | 0.2654 | |
| 932 | P | A | -0.3938 | |
| 933 | G | A | -0.4383 | |
| 934 | G | A | 0.1426 | |
| 935 | P | A | 0.1823 | |
| 936 | I | A | 1.3866 | |
| 937 | P | A | -0.0610 | |
| 938 | K | A | -1.5100 | |
| 939 | S | A | -0.9453 | |
| 940 | Y | A | -0.1968 | |
| 941 | E | A | -1.7758 | |
| 942 | D | A | -1.4455 | |
| 943 | F | A | 0.4062 | |
| 944 | A | A | 0.4860 | |
| 945 | W | A | 0.9177 | |
| 946 | Q | A | -0.3444 | |
| 947 | T | A | -0.7078 | |
| 948 | S | A | -0.9803 | |
| 949 | T | A | -1.1656 | |
| 950 | N | A | -1.7706 | |
| 951 | P | A | -1.0714 | |
| 952 | S | A | 0.2206 | |
| 953 | V | A | 1.9705 | |
| 954 | F | A | 2.9442 | |
| 955 | W | A | 1.7016 | |
| 956 | T | A | -0.5632 | |
| 957 | E | A | -2.7348 | |
| 958 | R | A | -2.5951 | |
| 959 | V | A | -0.6736 | |
| 960 | I | A | -0.0121 | |
| 961 | S | A | -0.1723 |
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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, -0.2815 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 |
|||
| input | -0.2815 | View | CSV | PDB |
| model_3 | -0.4207 | View | CSV | PDB |
| model_4 | -0.4366 | View | CSV | PDB |
| model_8 | -0.4439 | View | CSV | PDB |
| model_0 | -0.4487 | View | CSV | PDB |
| model_9 | -0.4549 | View | CSV | PDB |
| CABS_average | -0.455 | View | CSV | PDB |
| model_1 | -0.4564 | View | CSV | PDB |
| model_11 | -0.4579 | View | CSV | PDB |
| model_6 | -0.46 | View | CSV | PDB |
| model_2 | -0.4636 | View | CSV | PDB |
| model_5 | -0.4681 | View | CSV | PDB |
| model_7 | -0.4744 | View | CSV | PDB |
| model_10 | -0.4753 | 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