Project name: C27_E11_EF_D68_EF_DIRECT
Status: done
Started: 2026-07-21 10:56:04
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEALKLESCGVTSDNCRDLCGIVASPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELALGSNKLGDVGMAELCPGLLLFTYLRFDAEITILTTLWIWECGITAKGCGDLCRVLRALFTYLRFDAEITILTELSLAGNELGDEGARLLCETLLLFTYLRFDAEITILTSLWVKSCSFTAACCSHFSSVLAQLFTYLRFDAEITILTELQISNNRLEDAGVRELCQGLGLFTYLRFDAEITILTVLWLADCDVSDSSCSSLAATLLALFTYLRFDAEITILTELDLSNNCLGDAGILQLVESVRLFTYLRFDAEITILTQLVLYDIYWSEEMEDRLQALEKDLFTYLRFDAEITILTRVIS
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 (00:13:35)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:37:18)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:37:29)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:37:40)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:37:49)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:37:59)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:38:09)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:38:20)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:38:30)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:38:41)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:38:51)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:39:01)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:39:11)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:39:21)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:39:44)
[INFO] Main: Simulation completed successfully. (03:39:54)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -3.949
- Maximal score value
- 1.6002
- Average score
- -0.4908
- Total score value
- -385.2992
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 | 0.0427 | |
| 2 | L | A | 0.5480 | |
| 3 | D | A | -1.2905 | |
| 4 | I | A | -0.5545 | |
| 5 | Q | A | -1.1640 | |
| 6 | S | A | -1.4261 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.3048 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.2189 | |
| 11 | C | A | -1.2715 | |
| 12 | E | A | -2.3267 | |
| 13 | E | A | -3.0224 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -1.9020 | |
| 16 | D | A | -2.4983 | |
| 17 | A | A | -1.5852 | |
| 18 | R | A | -1.9901 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4533 | |
| 21 | E | A | -2.1206 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.5240 | |
| 24 | P | A | -0.5376 | |
| 25 | L | A | -0.0807 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.4883 | |
| 28 | P | A | 0.2507 | |
| 29 | P | A | 0.1180 | |
| 30 | L | A | 0.9637 | |
| 31 | T | A | -0.2228 | |
| 32 | H | A | -1.2296 | |
| 33 | Q | A | -1.0241 | |
| 34 | V | A | 0.5304 | |
| 35 | M | A | 0.9166 | |
| 36 | Y | A | 1.2548 | |
| 37 | I | A | 1.3616 | |
| 38 | P | A | 0.5045 | |
| 39 | P | A | -0.4042 | |
| 40 | G | A | -0.3582 | |
| 41 | G | A | 0.4092 | |
| 42 | P | A | 0.4482 | |
| 43 | I | A | 1.3876 | |
| 44 | P | A | -0.0994 | |
| 45 | K | A | -1.4795 | |
| 46 | S | A | -0.9550 | |
| 47 | T | A | -0.5641 | |
| 48 | T | A | -0.7804 | |
| 49 | D | A | -0.8943 | |
| 50 | Y | A | 0.0000 | |
| 51 | A | A | 0.1791 | |
| 52 | W | A | 0.6676 | |
| 53 | Q | A | 0.1308 | |
| 54 | T | A | -0.5393 | |
| 55 | S | A | -0.6047 | |
| 56 | T | A | 0.0000 | |
| 57 | N | A | -1.2075 | |
| 58 | P | A | -0.7497 | |
| 59 | S | A | -0.0896 | |
| 60 | I | A | 0.0000 | |
| 61 | F | A | 1.5372 | |
| 62 | W | A | 0.2833 | |
| 63 | T | A | -0.1900 | |
| 64 | E | A | -1.3226 | |
| 65 | V | A | 0.0000 | |
| 66 | R | A | -1.8863 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | 0.0000 | |
| 69 | D | A | -2.6544 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.0134 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.6385 | |
| 74 | E | A | -2.1867 | |
| 75 | A | A | -1.2048 | |
| 76 | R | A | -1.6415 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.2799 | |
| 79 | D | A | -1.6968 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -1.4014 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | R | A | -1.7753 | |
| 86 | V | A | -0.5137 | |
| 87 | P | A | -0.1950 | |
| 88 | P | A | 0.1482 | |
| 89 | L | A | 0.2184 | |
| 90 | T | A | 0.0009 | |
| 91 | H | A | -0.3613 | |
| 92 | Q | A | -0.3306 | |
| 93 | V | A | 0.5407 | |
| 94 | M | A | 0.0000 | |
| 95 | Y | A | 0.7689 | |
| 96 | I | A | 0.4806 | |
| 97 | P | A | -0.0461 | |
| 98 | P | A | -0.5937 | |
| 99 | G | A | -0.6438 | |
| 100 | G | A | -0.0873 | |
| 101 | P | A | -0.2581 | |
| 102 | I | A | 0.3097 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.9549 | |
| 105 | S | A | -1.2787 | |
| 106 | T | A | -0.7555 | |
| 107 | T | A | -1.1871 | |
| 108 | D | A | -1.9079 | |
| 109 | Y | A | 0.0000 | |
| 110 | A | A | -0.5328 | |
| 111 | W | A | 0.1251 | |
| 112 | Q | A | 0.0998 | |
| 113 | T | A | -0.2171 | |
| 114 | S | A | -0.1957 | |
| 115 | T | A | 0.0000 | |
| 116 | N | A | 0.0000 | |
| 117 | P | A | -0.4075 | |
| 118 | S | A | -0.0923 | |
| 119 | I | A | 0.0000 | |
| 120 | F | A | 0.9950 | |
| 121 | W | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | E | A | -0.7360 | |
| 124 | E | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.2789 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.1907 | |
| 129 | S | A | -1.9807 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.6714 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.6654 | |
| 134 | D | A | -0.0679 | |
| 135 | V | A | 0.8079 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.4716 | |
| 139 | C | A | -0.8512 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.4647 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | Q | A | -0.7535 | |
| 146 | P | A | -0.1095 | |
| 147 | P | A | 0.0000 | |
| 148 | L | A | 1.3276 | |
| 149 | T | A | 0.5667 | |
| 150 | H | A | 0.0094 | |
| 151 | Q | A | -0.2461 | |
| 152 | V | A | 0.3791 | |
| 153 | M | A | 0.0000 | |
| 154 | Y | A | 0.8959 | |
| 155 | I | A | 0.4600 | |
| 156 | P | A | 0.0000 | |
| 157 | P | A | -0.5978 | |
| 158 | G | A | -0.7855 | |
| 159 | G | A | -0.2462 | |
| 160 | P | A | -0.4628 | |
| 161 | I | A | -0.2555 | |
| 162 | P | A | 0.0000 | |
| 163 | K | A | -2.1448 | |
| 164 | S | A | -1.2098 | |
| 165 | T | A | -0.7134 | |
| 166 | T | A | -1.0547 | |
| 167 | D | A | -1.6418 | |
| 168 | Y | A | 0.0000 | |
| 169 | A | A | -0.4164 | |
| 170 | W | A | 0.2426 | |
| 171 | Q | A | 0.0000 | |
| 172 | T | A | -0.0563 | |
| 173 | S | A | 0.0344 | |
| 174 | T | A | 0.0000 | |
| 175 | N | A | 0.0000 | |
| 176 | P | A | -0.3177 | |
| 177 | S | A | -0.0216 | |
| 178 | I | A | 0.0000 | |
| 179 | F | A | 0.5248 | |
| 180 | W | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | E | A | -0.9122 | |
| 183 | K | A | -1.3610 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.3625 | |
| 188 | N | A | -1.7135 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.3737 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.4900 | |
| 193 | G | A | 0.1788 | |
| 194 | A | A | 0.3536 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.0203 | |
| 198 | V | A | -0.0255 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.7211 | |
| 202 | T | A | 0.0000 | |
| 203 | L | A | -0.7403 | |
| 204 | R | A | -1.5612 | |
| 205 | T | A | -0.9654 | |
| 206 | P | A | -0.4023 | |
| 207 | P | A | 0.0000 | |
| 208 | L | A | 0.3091 | |
| 209 | T | A | 0.0861 | |
| 210 | H | A | 0.0000 | |
| 211 | Q | A | -0.2294 | |
| 212 | V | A | 0.5224 | |
| 213 | M | A | 0.0000 | |
| 214 | Y | A | 0.8429 | |
| 215 | I | A | 0.0000 | |
| 216 | P | A | -0.1240 | |
| 217 | P | A | -0.6953 | |
| 218 | G | A | -0.7657 | |
| 219 | G | A | -0.2294 | |
| 220 | P | A | -0.3751 | |
| 221 | I | A | -0.1405 | |
| 222 | P | A | 0.0000 | |
| 223 | K | A | -2.0878 | |
| 224 | S | A | -1.3513 | |
| 225 | T | A | -0.7480 | |
| 226 | T | A | -1.1266 | |
| 227 | D | A | -1.7953 | |
| 228 | Y | A | 0.0000 | |
| 229 | A | A | -0.5143 | |
| 230 | W | A | 0.2391 | |
| 231 | Q | A | 0.0000 | |
| 232 | T | A | -0.1281 | |
| 233 | S | A | -0.1125 | |
| 234 | T | A | 0.0000 | |
| 235 | N | A | 0.0000 | |
| 236 | P | A | -0.2989 | |
| 237 | S | A | 0.0819 | |
| 238 | I | A | 0.5126 | |
| 239 | F | A | 0.6373 | |
| 240 | W | A | 0.2789 | |
| 241 | T | A | 0.0000 | |
| 242 | E | A | -0.8578 | |
| 243 | E | A | -1.1638 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -0.9751 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.6095 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4467 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0885 | |
| 253 | D | A | -0.4640 | |
| 254 | A | A | -0.2172 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.6805 | |
| 258 | L | A | 0.2469 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -0.6550 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | L | A | 0.4906 | |
| 265 | P | A | 0.3879 | |
| 266 | P | A | 0.5479 | |
| 267 | L | A | 1.2140 | |
| 268 | T | A | 0.5070 | |
| 269 | H | A | 0.0000 | |
| 270 | Q | A | -0.1883 | |
| 271 | V | A | 0.3632 | |
| 272 | M | A | 0.0000 | |
| 273 | Y | A | 0.9985 | |
| 274 | I | A | 0.4625 | |
| 275 | P | A | 0.0000 | |
| 276 | P | A | -0.5600 | |
| 277 | G | A | -0.6738 | |
| 278 | G | A | -0.1378 | |
| 279 | P | A | -0.4181 | |
| 280 | I | A | -0.2504 | |
| 281 | P | A | 0.0000 | |
| 282 | K | A | -2.1703 | |
| 283 | S | A | -1.4269 | |
| 284 | T | A | -0.7847 | |
| 285 | T | A | -0.9756 | |
| 286 | D | A | -1.9610 | |
| 287 | Y | A | 0.0000 | |
| 288 | A | A | -0.3363 | |
| 289 | W | A | 0.1874 | |
| 290 | Q | A | 0.1036 | |
| 291 | T | A | -0.1046 | |
| 292 | S | A | -0.0254 | |
| 293 | T | A | 0.0000 | |
| 294 | N | A | 0.0000 | |
| 295 | P | A | -0.3045 | |
| 296 | S | A | 0.0937 | |
| 297 | I | A | 0.5395 | |
| 298 | F | A | 0.6827 | |
| 299 | W | A | 0.3832 | |
| 300 | T | A | 0.0000 | |
| 301 | E | A | -0.6973 | |
| 302 | K | A | -1.1234 | |
| 303 | L | A | 0.0000 | |
| 304 | Q | A | -0.6011 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.3367 | |
| 307 | Y | A | 0.4954 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.1186 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9785 | |
| 312 | A | A | -1.2467 | |
| 313 | A | A | -0.8098 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.1317 | |
| 317 | P | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -1.3505 | |
| 321 | V | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | R | A | -2.7346 | |
| 324 | A | A | -1.0339 | |
| 325 | P | A | -0.6241 | |
| 326 | P | A | 0.0064 | |
| 327 | L | A | 0.4888 | |
| 328 | T | A | 0.0552 | |
| 329 | H | A | -0.2700 | |
| 330 | Q | A | -0.2833 | |
| 331 | V | A | 0.5287 | |
| 332 | M | A | 0.0000 | |
| 333 | Y | A | 0.9895 | |
| 334 | I | A | 0.5010 | |
| 335 | P | A | 0.0262 | |
| 336 | P | A | -0.4540 | |
| 337 | G | A | -0.6776 | |
| 338 | G | A | -0.1537 | |
| 339 | P | A | -0.5457 | |
| 340 | I | A | -0.3727 | |
| 341 | P | A | -1.2025 | |
| 342 | K | A | -2.1818 | |
| 343 | S | A | -1.4495 | |
| 344 | T | A | -0.7702 | |
| 345 | T | A | -1.1249 | |
| 346 | D | A | -1.8955 | |
| 347 | Y | A | 0.0000 | |
| 348 | A | A | -0.3669 | |
| 349 | W | A | 0.2405 | |
| 350 | Q | A | 0.1552 | |
| 351 | T | A | -0.1969 | |
| 352 | S | A | -0.1795 | |
| 353 | T | A | 0.0000 | |
| 354 | N | A | 0.0000 | |
| 355 | P | A | -0.3119 | |
| 356 | S | A | 0.0913 | |
| 357 | I | A | 0.5821 | |
| 358 | F | A | 0.6502 | |
| 359 | W | A | 0.0000 | |
| 360 | T | A | 0.0000 | |
| 361 | E | A | -0.4270 | |
| 362 | E | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.8819 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.1848 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.9841 | |
| 372 | E | A | -2.5072 | |
| 373 | A | A | -1.4369 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -3.0169 | |
| 377 | V | A | -1.5952 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.8146 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | K | A | -2.7521 | |
| 384 | D | A | -2.9032 | |
| 385 | P | A | -1.2636 | |
| 386 | P | A | -0.2180 | |
| 387 | L | A | 0.9325 | |
| 388 | T | A | 0.4729 | |
| 389 | H | A | 0.0727 | |
| 390 | Q | A | -0.0857 | |
| 391 | V | A | 0.6000 | |
| 392 | M | A | 0.0000 | |
| 393 | Y | A | 1.1020 | |
| 394 | I | A | 0.6740 | |
| 395 | P | A | 0.0100 | |
| 396 | P | A | -0.4757 | |
| 397 | G | A | -0.5777 | |
| 398 | G | A | -0.1624 | |
| 399 | P | A | -0.3569 | |
| 400 | I | A | -0.0271 | |
| 401 | P | A | 0.0000 | |
| 402 | K | A | -2.0042 | |
| 403 | S | A | -1.2342 | |
| 404 | T | A | -0.5719 | |
| 405 | T | A | -0.8234 | |
| 406 | D | A | -1.2135 | |
| 407 | Y | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | W | A | 0.4065 | |
| 410 | Q | A | 0.0000 | |
| 411 | T | A | -0.0081 | |
| 412 | S | A | -0.0120 | |
| 413 | T | A | 0.0000 | |
| 414 | N | A | 0.0000 | |
| 415 | P | A | -0.2981 | |
| 416 | S | A | 0.1633 | |
| 417 | I | A | 0.6810 | |
| 418 | F | A | 0.7889 | |
| 419 | W | A | 0.4845 | |
| 420 | T | A | 0.0000 | |
| 421 | E | A | -0.3756 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | K | A | -0.6392 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.7406 | |
| 427 | S | A | -1.3380 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.7735 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.8559 | |
| 432 | S | A | -1.4777 | |
| 433 | D | A | -2.6964 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.7338 | |
| 437 | D | A | -2.3388 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.9005 | |
| 440 | G | A | -1.1648 | |
| 441 | I | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | A | A | -0.1241 | |
| 444 | S | A | -0.4647 | |
| 445 | P | A | -0.0347 | |
| 446 | P | A | 0.2968 | |
| 447 | L | A | 0.2347 | |
| 448 | T | A | -0.2436 | |
| 449 | H | A | -0.4348 | |
| 450 | Q | A | -0.4950 | |
| 451 | V | A | 0.4108 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 1.3567 | |
| 454 | I | A | 0.8230 | |
| 455 | P | A | 0.0867 | |
| 456 | P | A | -0.4036 | |
| 457 | G | A | -0.6492 | |
| 458 | G | A | -0.2349 | |
| 459 | P | A | -0.5662 | |
| 460 | I | A | -0.1797 | |
| 461 | P | A | 0.0000 | |
| 462 | K | A | -2.0929 | |
| 463 | S | A | -1.3851 | |
| 464 | T | A | -0.7628 | |
| 465 | T | A | -0.9541 | |
| 466 | D | A | -1.7011 | |
| 467 | Y | A | -0.3261 | |
| 468 | A | A | 0.0305 | |
| 469 | W | A | 0.0108 | |
| 470 | Q | A | -0.7157 | |
| 471 | T | A | -0.6567 | |
| 472 | S | A | -0.4810 | |
| 473 | T | A | -0.3601 | |
| 474 | N | A | -0.2417 | |
| 475 | P | A | -0.6234 | |
| 476 | S | A | 0.0377 | |
| 477 | I | A | 0.9666 | |
| 478 | F | A | 1.3003 | |
| 479 | W | A | 0.5610 | |
| 480 | T | A | 0.0000 | |
| 481 | E | A | 0.0000 | |
| 482 | E | A | -0.7442 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.3169 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.0878 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.7009 | |
| 492 | D | A | -0.3825 | |
| 493 | V | A | 0.5202 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.3904 | |
| 497 | E | A | -1.2153 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.4843 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | L | A | 0.3161 | |
| 504 | L | A | 0.9049 | |
| 505 | F | A | 0.8987 | |
| 506 | T | A | 0.0000 | |
| 507 | Y | A | 1.6002 | |
| 508 | L | A | 0.0464 | |
| 509 | R | A | -1.9588 | |
| 510 | F | A | -2.0662 | |
| 511 | D | A | -2.8776 | |
| 512 | A | A | -2.3131 | |
| 513 | E | A | -2.6383 | |
| 514 | I | A | -0.8876 | |
| 515 | T | A | -0.1638 | |
| 516 | I | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | T | A | -0.2703 | |
| 519 | T | A | -0.2907 | |
| 520 | L | A | 0.0000 | |
| 521 | W | A | -0.0324 | |
| 522 | I | A | 0.0000 | |
| 523 | W | A | -0.7208 | |
| 524 | E | A | -2.4787 | |
| 525 | C | A | 0.0000 | |
| 526 | G | A | -1.6860 | |
| 527 | I | A | 0.0000 | |
| 528 | T | A | -1.5714 | |
| 529 | A | A | -1.7672 | |
| 530 | K | A | -1.8832 | |
| 531 | G | A | 0.0000 | |
| 532 | C | A | 0.0000 | |
| 533 | G | A | -1.7050 | |
| 534 | D | A | -1.6908 | |
| 535 | L | A | 0.0000 | |
| 536 | C | A | 0.0000 | |
| 537 | R | A | -2.2972 | |
| 538 | V | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | R | A | -1.2793 | |
| 541 | A | A | -0.2624 | |
| 542 | L | A | 0.0000 | |
| 543 | F | A | 0.0000 | |
| 544 | T | A | 0.2548 | |
| 545 | Y | A | 1.0505 | |
| 546 | L | A | -0.1502 | |
| 547 | R | A | -2.3714 | |
| 548 | F | A | -2.8930 | |
| 549 | D | A | -3.6062 | |
| 550 | A | A | -2.9161 | |
| 551 | E | A | -2.8392 | |
| 552 | I | A | 0.0000 | |
| 553 | T | A | -0.6536 | |
| 554 | I | A | 0.0000 | |
| 555 | L | A | 0.0000 | |
| 556 | T | A | -0.1514 | |
| 557 | E | A | -0.3438 | |
| 558 | L | A | 0.0000 | |
| 559 | S | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | A | A | -0.9297 | |
| 562 | G | A | -1.6452 | |
| 563 | N | A | 0.0000 | |
| 564 | E | A | -2.3789 | |
| 565 | L | A | 0.0000 | |
| 566 | G | A | -1.3594 | |
| 567 | D | A | -1.4088 | |
| 568 | E | A | -1.6705 | |
| 569 | G | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | R | A | -1.4925 | |
| 572 | L | A | -1.4123 | |
| 573 | L | A | 0.0000 | |
| 574 | C | A | 0.0000 | |
| 575 | E | A | -1.4614 | |
| 576 | T | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | L | A | 0.0255 | |
| 579 | L | A | 0.2937 | |
| 580 | F | A | 0.0000 | |
| 581 | T | A | 0.0000 | |
| 582 | Y | A | 1.4348 | |
| 583 | L | A | 0.3197 | |
| 584 | R | A | -2.2233 | |
| 585 | F | A | -2.6904 | |
| 586 | D | A | -3.5730 | |
| 587 | A | A | 0.0000 | |
| 588 | E | A | -2.7681 | |
| 589 | I | A | 0.0000 | |
| 590 | T | A | -0.5166 | |
| 591 | I | A | 0.0000 | |
| 592 | L | A | 0.0000 | |
| 593 | T | A | -0.1190 | |
| 594 | S | A | 0.0000 | |
| 595 | L | A | 0.0000 | |
| 596 | W | A | 0.0924 | |
| 597 | V | A | 0.0000 | |
| 598 | K | A | -0.8182 | |
| 599 | S | A | -1.7298 | |
| 600 | C | A | 0.0000 | |
| 601 | S | A | -1.5637 | |
| 602 | F | A | 0.0000 | |
| 603 | T | A | -1.2355 | |
| 604 | A | A | -1.3588 | |
| 605 | A | A | -0.7653 | |
| 606 | C | A | 0.0000 | |
| 607 | C | A | 0.0000 | |
| 608 | S | A | -1.0038 | |
| 609 | H | A | -0.9546 | |
| 610 | F | A | 0.0000 | |
| 611 | S | A | -0.9180 | |
| 612 | S | A | -0.6903 | |
| 613 | V | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | A | A | 0.0597 | |
| 616 | Q | A | 0.4947 | |
| 617 | L | A | 0.0000 | |
| 618 | F | A | 0.5931 | |
| 619 | T | A | 0.7874 | |
| 620 | Y | A | 1.3589 | |
| 621 | L | A | -0.0213 | |
| 622 | R | A | -1.9699 | |
| 623 | F | A | -2.1891 | |
| 624 | D | A | -3.1964 | |
| 625 | A | A | -2.6112 | |
| 626 | E | A | -2.7197 | |
| 627 | I | A | -0.9202 | |
| 628 | T | A | -0.2174 | |
| 629 | I | A | 0.2783 | |
| 630 | L | A | 0.0000 | |
| 631 | T | A | -0.0518 | |
| 632 | E | A | -0.1694 | |
| 633 | L | A | 0.0000 | |
| 634 | Q | A | 0.0000 | |
| 635 | I | A | 0.0000 | |
| 636 | S | A | 0.0000 | |
| 637 | N | A | -2.4716 | |
| 638 | N | A | 0.0000 | |
| 639 | R | A | -3.2379 | |
| 640 | L | A | 0.0000 | |
| 641 | E | A | -2.8507 | |
| 642 | D | A | -2.1901 | |
| 643 | A | A | -1.4474 | |
| 644 | G | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | R | A | -2.5422 | |
| 647 | E | A | -2.3669 | |
| 648 | L | A | 0.0000 | |
| 649 | C | A | 0.0000 | |
| 650 | Q | A | -1.8465 | |
| 651 | G | A | 0.0000 | |
| 652 | L | A | 0.0000 | |
| 653 | G | A | -0.0918 | |
| 654 | L | A | 0.7105 | |
| 655 | F | A | 0.0000 | |
| 656 | T | A | 0.0000 | |
| 657 | Y | A | 1.3024 | |
| 658 | L | A | 0.1209 | |
| 659 | R | A | -2.4376 | |
| 660 | F | A | 0.0000 | |
| 661 | D | A | -3.4614 | |
| 662 | A | A | -2.8754 | |
| 663 | E | A | -3.0232 | |
| 664 | I | A | -1.4226 | |
| 665 | T | A | -0.5908 | |
| 666 | I | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | T | A | -0.0620 | |
| 669 | V | A | 0.0236 | |
| 670 | L | A | 0.0000 | |
| 671 | W | A | -0.0962 | |
| 672 | L | A | 0.0000 | |
| 673 | A | A | -1.4775 | |
| 674 | D | A | -3.0446 | |
| 675 | C | A | 0.0000 | |
| 676 | D | A | -3.3218 | |
| 677 | V | A | 0.0000 | |
| 678 | S | A | -0.9137 | |
| 679 | D | A | -0.9157 | |
| 680 | S | A | -1.0061 | |
| 681 | S | A | 0.0000 | |
| 682 | C | A | 0.0000 | |
| 683 | S | A | -0.5467 | |
| 684 | S | A | -0.9704 | |
| 685 | L | A | 0.0000 | |
| 686 | A | A | 0.0000 | |
| 687 | A | A | -0.0836 | |
| 688 | T | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | L | A | 0.4416 | |
| 691 | A | A | 0.6824 | |
| 692 | L | A | 0.0000 | |
| 693 | F | A | 0.0000 | |
| 694 | T | A | 0.4860 | |
| 695 | Y | A | 1.3346 | |
| 696 | L | A | -0.2053 | |
| 697 | R | A | -2.2173 | |
| 698 | F | A | -3.0126 | |
| 699 | D | A | -3.8082 | |
| 700 | A | A | -3.3005 | |
| 701 | E | A | -3.0330 | |
| 702 | I | A | 0.0000 | |
| 703 | T | A | -0.7008 | |
| 704 | I | A | 0.0000 | |
| 705 | L | A | 0.0000 | |
| 706 | T | A | -0.1638 | |
| 707 | E | A | -0.4873 | |
| 708 | L | A | 0.0000 | |
| 709 | D | A | -0.2022 | |
| 710 | L | A | 0.0000 | |
| 711 | S | A | 0.0000 | |
| 712 | N | A | -2.0429 | |
| 713 | N | A | 0.0000 | |
| 714 | C | A | -0.2987 | |
| 715 | L | A | 0.0000 | |
| 716 | G | A | -0.1144 | |
| 717 | D | A | -1.2510 | |
| 718 | A | A | -0.5653 | |
| 719 | G | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | L | A | -0.5712 | |
| 722 | Q | A | -1.0551 | |
| 723 | L | A | 0.0000 | |
| 724 | V | A | 0.0000 | |
| 725 | E | A | -1.4696 | |
| 726 | S | A | 0.0000 | |
| 727 | V | A | 0.0000 | |
| 728 | R | A | -1.0632 | |
| 729 | L | A | 0.4376 | |
| 730 | F | A | 0.0000 | |
| 731 | T | A | 0.8067 | |
| 732 | Y | A | 1.1885 | |
| 733 | L | A | 0.2719 | |
| 734 | R | A | -2.0625 | |
| 735 | F | A | -2.5471 | |
| 736 | D | A | -3.5616 | |
| 737 | A | A | 0.0000 | |
| 738 | E | A | -2.9634 | |
| 739 | I | A | 0.0000 | |
| 740 | T | A | -0.7179 | |
| 741 | I | A | 0.0000 | |
| 742 | L | A | 0.0000 | |
| 743 | T | A | -0.7046 | |
| 744 | Q | A | -0.9502 | |
| 745 | L | A | 0.0000 | |
| 746 | V | A | 0.0000 | |
| 747 | L | A | 0.0000 | |
| 748 | Y | A | 0.0814 | |
| 749 | D | A | -1.3992 | |
| 750 | I | A | 0.0000 | |
| 751 | Y | A | 0.6235 | |
| 752 | W | A | -0.5385 | |
| 753 | S | A | -1.9359 | |
| 754 | E | A | -3.5029 | |
| 755 | E | A | -3.8813 | |
| 756 | M | A | 0.0000 | |
| 757 | E | A | -3.3012 | |
| 758 | D | A | -3.9490 | |
| 759 | R | A | -3.1207 | |
| 760 | L | A | 0.0000 | |
| 761 | Q | A | -2.5855 | |
| 762 | A | A | -2.1977 | |
| 763 | L | A | 0.0000 | |
| 764 | E | A | -1.9838 | |
| 765 | K | A | -1.8348 | |
| 766 | D | A | -0.8914 | |
| 767 | L | A | 0.0000 | |
| 768 | F | A | 1.3987 | |
| 769 | T | A | 0.7345 | |
| 770 | Y | A | 1.5341 | |
| 771 | L | A | 0.7607 | |
| 772 | R | A | -1.3833 | |
| 773 | F | A | -1.9636 | |
| 774 | D | A | -2.9384 | |
| 775 | A | A | -2.7346 | |
| 776 | E | A | -2.7250 | |
| 777 | I | A | -1.2737 | |
| 778 | T | A | -0.4893 | |
| 779 | I | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | T | A | -0.8238 | |
| 782 | R | A | -2.0197 | |
| 783 | V | A | 0.0000 | |
| 784 | I | A | -0.0576 | |
| 785 | S | A | -0.0207 |
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, -0.4908 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 | -0.4908 | View | CSV | PDB |
| model_8 | -0.5284 | View | CSV | PDB |
| model_7 | -0.5412 | View | CSV | PDB |
| model_6 | -0.5427 | View | CSV | PDB |
| model_4 | -0.5497 | View | CSV | PDB |
| model_0 | -0.5569 | View | CSV | PDB |
| model_2 | -0.5583 | View | CSV | PDB |
| model_5 | -0.5584 | View | CSV | PDB |
| CABS_average | -0.5626 | View | CSV | PDB |
| model_1 | -0.568 | View | CSV | PDB |
| model_9 | -0.5726 | View | CSV | PDB |
| model_11 | -0.5863 | View | CSV | PDB |
| model_3 | -0.5929 | View | CSV | PDB |
| model_10 | -0.5956 | 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