Project name: C44_E18_EF_INTERFACE_SAT_corrected26
Status: done
Started: 2026-07-22 05:56:03
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVRLDDCGLTEARCKDISSALRVPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELNLRSNELGDVGVHCVLQGLQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEKLSLQNCCLTGAGCGVLSSTLRTPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELHLSDNLLGDAGLQLLCEGLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEKLQLEYCSLSAASCEPLASVLRAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELTVSNNDINEAGVRVLCQGLKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEALKLESCGVTSDNCRDLCGIVASPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELALGSNKLGDVGMAELCPGLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLKPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLHPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTERVIS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:15:46)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:10:02)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:10:11)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:10:19)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:10:28)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:10:37)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:10:45)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:10:54)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:11:03)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:11:12)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:11:20)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:11:29)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:11:37)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:11:46)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:12:06)
[INFO] Main: Simulation completed successfully. (04:12:16)
|
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
- -3.9663
- Maximal score value
- 2.0651
- Average score
- -0.3568
- Total score value
- -342.8752
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 | 0.2060 | |
| 2 | L | A | 0.7584 | |
| 3 | D | A | -0.5422 | |
| 4 | I | A | 0.1714 | |
| 5 | Q | A | -0.5786 | |
| 6 | S | A | -1.0456 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -1.9521 | |
| 9 | I | A | -1.7344 | |
| 10 | Q | A | -2.2015 | |
| 11 | C | A | -1.2033 | |
| 12 | E | A | -2.0417 | |
| 13 | E | A | -2.9395 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.1900 | |
| 16 | D | A | -2.6322 | |
| 17 | A | A | -1.8019 | |
| 18 | R | A | -2.4584 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.6225 | |
| 21 | E | A | -2.3181 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.6214 | |
| 24 | P | A | -0.1786 | |
| 25 | L | A | 0.3239 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | 0.5164 | |
| 28 | P | A | 1.2778 | |
| 29 | V | A | 2.0404 | |
| 30 | L | A | 1.0868 | |
| 31 | T | A | 0.2084 | |
| 32 | H | A | -0.5103 | |
| 33 | Q | A | -0.1328 | |
| 34 | I | A | 1.7267 | |
| 35 | M | A | 1.2907 | |
| 36 | Y | A | 1.1784 | |
| 37 | V | A | 1.2689 | |
| 38 | P | A | 0.2382 | |
| 39 | P | A | -0.3928 | |
| 40 | G | A | -0.3874 | |
| 41 | G | A | 0.1474 | |
| 42 | P | A | 0.3456 | |
| 43 | I | A | 1.5898 | |
| 44 | P | A | 0.0000 | |
| 45 | A | A | -0.3816 | |
| 46 | K | A | -1.1889 | |
| 47 | V | A | 0.2763 | |
| 48 | D | A | -1.5739 | |
| 49 | S | A | -0.9101 | |
| 50 | Y | A | 0.3308 | |
| 51 | E | A | -0.9880 | |
| 52 | W | A | 0.1448 | |
| 53 | Q | A | 0.0797 | |
| 54 | T | A | 0.1015 | |
| 55 | S | A | 0.1971 | |
| 56 | T | A | -0.5073 | |
| 57 | N | A | -1.1832 | |
| 58 | P | A | -0.6555 | |
| 59 | S | A | 0.1185 | |
| 60 | V | A | 1.1437 | |
| 61 | F | A | 0.0000 | |
| 62 | W | A | 0.4799 | |
| 63 | T | A | -0.1826 | |
| 64 | E | A | -0.9759 | |
| 65 | V | A | 0.0000 | |
| 66 | R | A | -1.8259 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -2.1152 | |
| 69 | D | A | -2.6444 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.0021 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.2430 | |
| 74 | E | A | -1.3184 | |
| 75 | A | A | -0.7380 | |
| 76 | R | A | -1.3266 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -1.7777 | |
| 79 | D | A | -1.4447 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -0.8182 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | -0.1318 | |
| 85 | R | A | -0.1922 | |
| 86 | V | A | 0.9322 | |
| 87 | P | A | 0.6069 | |
| 88 | V | A | 1.0889 | |
| 89 | L | A | 0.6088 | |
| 90 | T | A | 0.0393 | |
| 91 | H | A | -0.8219 | |
| 92 | Q | A | -0.5966 | |
| 93 | I | A | 0.2900 | |
| 94 | M | A | 0.0000 | |
| 95 | Y | A | 0.0571 | |
| 96 | V | A | 0.3892 | |
| 97 | P | A | -0.1350 | |
| 98 | P | A | -0.5419 | |
| 99 | G | A | -0.4925 | |
| 100 | G | A | -0.1432 | |
| 101 | P | A | 0.1145 | |
| 102 | I | A | 1.0721 | |
| 103 | P | A | 0.0000 | |
| 104 | A | A | -0.3320 | |
| 105 | K | A | -1.1244 | |
| 106 | V | A | 0.3151 | |
| 107 | D | A | -1.6195 | |
| 108 | S | A | -1.0085 | |
| 109 | Y | A | 0.1738 | |
| 110 | E | A | -0.8941 | |
| 111 | W | A | 0.0000 | |
| 112 | Q | A | 0.0000 | |
| 113 | T | A | 0.0426 | |
| 114 | S | A | 0.0471 | |
| 115 | T | A | -0.3736 | |
| 116 | N | A | -0.7374 | |
| 117 | P | A | -0.3817 | |
| 118 | S | A | 0.1169 | |
| 119 | V | A | 0.9502 | |
| 120 | F | A | 1.0358 | |
| 121 | W | A | 0.6023 | |
| 122 | T | A | -0.1111 | |
| 123 | E | A | -0.7661 | |
| 124 | E | A | -0.9373 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.0770 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -1.9955 | |
| 129 | S | A | -1.8811 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.4672 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.4431 | |
| 134 | D | A | 0.1286 | |
| 135 | V | A | 1.1144 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.2001 | |
| 139 | C | A | -0.5084 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -0.9398 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.0473 | |
| 145 | Q | A | -0.2138 | |
| 146 | P | A | 0.5120 | |
| 147 | V | A | 1.0749 | |
| 148 | L | A | 0.7150 | |
| 149 | T | A | -0.1738 | |
| 150 | H | A | -0.7101 | |
| 151 | Q | A | -0.7655 | |
| 152 | I | A | 0.2438 | |
| 153 | M | A | 0.0000 | |
| 154 | Y | A | 0.2980 | |
| 155 | V | A | 0.1543 | |
| 156 | P | A | -0.0854 | |
| 157 | P | A | -0.5175 | |
| 158 | G | A | -0.4409 | |
| 159 | G | A | -0.1105 | |
| 160 | P | A | 0.2209 | |
| 161 | I | A | 1.0210 | |
| 162 | P | A | 0.0000 | |
| 163 | A | A | -0.2996 | |
| 164 | K | A | -1.1627 | |
| 165 | V | A | 0.1334 | |
| 166 | D | A | -1.6871 | |
| 167 | S | A | -0.8601 | |
| 168 | Y | A | -0.5554 | |
| 169 | E | A | -0.9121 | |
| 170 | W | A | 0.0000 | |
| 171 | Q | A | -0.2010 | |
| 172 | T | A | 0.2780 | |
| 173 | S | A | -0.0154 | |
| 174 | T | A | -0.1585 | |
| 175 | N | A | -0.5402 | |
| 176 | P | A | -0.3179 | |
| 177 | S | A | 0.1243 | |
| 178 | V | A | 0.7683 | |
| 179 | F | A | 0.9793 | |
| 180 | W | A | 0.5487 | |
| 181 | T | A | -0.2689 | |
| 182 | E | A | -1.0279 | |
| 183 | K | A | -1.2151 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.0978 | |
| 188 | N | A | -1.4790 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.2997 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.4963 | |
| 193 | G | A | 0.1664 | |
| 194 | A | A | 0.3740 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.1221 | |
| 198 | V | A | 0.2140 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.3522 | |
| 202 | T | A | -0.2730 | |
| 203 | L | A | 0.0316 | |
| 204 | R | A | -0.4500 | |
| 205 | T | A | -0.0891 | |
| 206 | P | A | 0.2220 | |
| 207 | V | A | 0.8670 | |
| 208 | L | A | 0.4290 | |
| 209 | T | A | -0.2740 | |
| 210 | H | A | -0.9916 | |
| 211 | Q | A | -0.3792 | |
| 212 | I | A | 0.0799 | |
| 213 | M | A | 0.0000 | |
| 214 | Y | A | 0.2467 | |
| 215 | V | A | 0.2983 | |
| 216 | P | A | -0.1216 | |
| 217 | P | A | -0.5497 | |
| 218 | G | A | -0.4888 | |
| 219 | G | A | -0.1234 | |
| 220 | P | A | 0.1807 | |
| 221 | I | A | 0.9031 | |
| 222 | P | A | 0.0000 | |
| 223 | A | A | -0.6739 | |
| 224 | K | A | -1.7064 | |
| 225 | V | A | -0.9294 | |
| 226 | D | A | -1.9989 | |
| 227 | S | A | -1.0347 | |
| 228 | Y | A | -0.5093 | |
| 229 | E | A | -0.9101 | |
| 230 | W | A | 0.0000 | |
| 231 | Q | A | 0.0000 | |
| 232 | T | A | 0.3645 | |
| 233 | S | A | 0.1018 | |
| 234 | T | A | -0.2594 | |
| 235 | N | A | -0.7121 | |
| 236 | P | A | -0.4083 | |
| 237 | S | A | 0.1172 | |
| 238 | V | A | 0.8971 | |
| 239 | F | A | 1.1781 | |
| 240 | W | A | 0.5882 | |
| 241 | T | A | -0.2676 | |
| 242 | E | A | -0.9751 | |
| 243 | E | A | -1.0461 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -0.7754 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.4796 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4552 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0609 | |
| 253 | D | A | -0.7031 | |
| 254 | A | A | -0.2961 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.9972 | |
| 258 | L | A | -0.0042 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -0.9241 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.3218 | |
| 264 | L | A | 0.5685 | |
| 265 | P | A | 0.6161 | |
| 266 | V | A | 0.5794 | |
| 267 | L | A | 0.7691 | |
| 268 | T | A | -0.2566 | |
| 269 | H | A | -0.8415 | |
| 270 | Q | A | -0.2997 | |
| 271 | I | A | 0.3399 | |
| 272 | M | A | 0.0000 | |
| 273 | Y | A | 0.2220 | |
| 274 | V | A | 0.3335 | |
| 275 | P | A | -0.1419 | |
| 276 | P | A | -0.5721 | |
| 277 | G | A | -0.4668 | |
| 278 | G | A | -0.0849 | |
| 279 | P | A | 0.2456 | |
| 280 | I | A | 1.0547 | |
| 281 | P | A | 0.0000 | |
| 282 | A | A | -0.6245 | |
| 283 | K | A | -1.6894 | |
| 284 | V | A | -0.9726 | |
| 285 | D | A | -2.0502 | |
| 286 | S | A | -1.0432 | |
| 287 | Y | A | -0.7258 | |
| 288 | E | A | -0.8916 | |
| 289 | W | A | 0.0000 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.2314 | |
| 292 | S | A | -0.0808 | |
| 293 | T | A | -0.3917 | |
| 294 | N | A | -1.1533 | |
| 295 | P | A | -0.7891 | |
| 296 | S | A | 0.0775 | |
| 297 | V | A | 1.2673 | |
| 298 | F | A | 1.1669 | |
| 299 | W | A | 0.5383 | |
| 300 | T | A | -0.2315 | |
| 301 | E | A | -0.7126 | |
| 302 | K | A | -0.8607 | |
| 303 | L | A | -0.4537 | |
| 304 | Q | A | -0.4188 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.2056 | |
| 307 | Y | A | 0.5812 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.0908 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9722 | |
| 312 | A | A | -1.1654 | |
| 313 | A | A | -0.6694 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.0981 | |
| 317 | P | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -1.1635 | |
| 321 | V | A | -0.4279 | |
| 322 | L | A | -0.9099 | |
| 323 | R | A | -2.1820 | |
| 324 | A | A | -0.5895 | |
| 325 | P | A | -0.3288 | |
| 326 | V | A | 0.5390 | |
| 327 | L | A | 0.3443 | |
| 328 | T | A | -0.3994 | |
| 329 | H | A | -1.0532 | |
| 330 | Q | A | -0.5468 | |
| 331 | I | A | -0.1715 | |
| 332 | M | A | 0.0000 | |
| 333 | Y | A | 0.1184 | |
| 334 | V | A | 0.4987 | |
| 335 | P | A | -0.0633 | |
| 336 | P | A | -0.5342 | |
| 337 | G | A | -0.4919 | |
| 338 | G | A | -0.0948 | |
| 339 | P | A | 0.1010 | |
| 340 | I | A | 0.8167 | |
| 341 | P | A | 0.0000 | |
| 342 | A | A | -0.7303 | |
| 343 | K | A | -1.7980 | |
| 344 | V | A | -1.0653 | |
| 345 | D | A | -2.1315 | |
| 346 | S | A | -1.4845 | |
| 347 | Y | A | -1.0841 | |
| 348 | E | A | -1.4616 | |
| 349 | W | A | 0.0000 | |
| 350 | Q | A | -0.2018 | |
| 351 | T | A | 0.2105 | |
| 352 | S | A | -0.0368 | |
| 353 | T | A | -0.6017 | |
| 354 | N | A | -1.6630 | |
| 355 | P | A | -0.7986 | |
| 356 | S | A | 0.2608 | |
| 357 | V | A | 2.0651 | |
| 358 | F | A | 1.8160 | |
| 359 | W | A | 1.0140 | |
| 360 | T | A | -0.0918 | |
| 361 | E | A | -0.6334 | |
| 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 | -0.6117 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.1113 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.8313 | |
| 372 | E | A | -2.2346 | |
| 373 | A | A | -1.1912 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.4364 | |
| 377 | V | A | -1.3278 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.5338 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -1.2397 | |
| 383 | K | A | -2.3347 | |
| 384 | D | A | -2.6397 | |
| 385 | P | A | -1.0909 | |
| 386 | V | A | -0.2199 | |
| 387 | L | A | -0.2218 | |
| 388 | T | A | -0.7230 | |
| 389 | H | A | -1.0649 | |
| 390 | Q | A | -0.6330 | |
| 391 | I | A | 0.3493 | |
| 392 | M | A | 0.3146 | |
| 393 | Y | A | 0.2889 | |
| 394 | V | A | 0.5804 | |
| 395 | P | A | -0.0400 | |
| 396 | P | A | -0.5022 | |
| 397 | G | A | -0.4870 | |
| 398 | G | A | -0.0816 | |
| 399 | P | A | 0.1497 | |
| 400 | I | A | 0.8060 | |
| 401 | P | A | 0.0000 | |
| 402 | A | A | -0.8047 | |
| 403 | K | A | -1.9416 | |
| 404 | V | A | -1.4397 | |
| 405 | D | A | -2.2146 | |
| 406 | S | A | -1.4930 | |
| 407 | Y | A | -1.0794 | |
| 408 | E | A | -1.3042 | |
| 409 | W | A | 0.0000 | |
| 410 | Q | A | -0.2157 | |
| 411 | T | A | 0.1233 | |
| 412 | S | A | -0.1716 | |
| 413 | T | A | -0.6462 | |
| 414 | N | A | -1.5701 | |
| 415 | P | A | -0.8161 | |
| 416 | S | A | 0.2992 | |
| 417 | V | A | 2.0375 | |
| 418 | F | A | 2.0573 | |
| 419 | W | A | 1.0481 | |
| 420 | T | A | 0.0690 | |
| 421 | E | A | -0.5649 | |
| 422 | A | A | -0.5043 | |
| 423 | L | A | -0.2459 | |
| 424 | K | A | -0.3447 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.5649 | |
| 427 | S | A | -1.1002 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.6818 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.6542 | |
| 432 | S | A | -1.4904 | |
| 433 | D | A | -2.8005 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.8316 | |
| 437 | D | A | -2.1916 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.5941 | |
| 440 | G | A | -0.8760 | |
| 441 | I | A | -0.3370 | |
| 442 | V | A | 0.4166 | |
| 443 | A | A | 0.6550 | |
| 444 | S | A | 0.2870 | |
| 445 | P | A | 0.5596 | |
| 446 | V | A | 0.7656 | |
| 447 | L | A | 0.3911 | |
| 448 | T | A | -0.1958 | |
| 449 | H | A | -0.8582 | |
| 450 | Q | A | -0.4020 | |
| 451 | I | A | 0.1348 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 0.0483 | |
| 454 | V | A | 0.4876 | |
| 455 | P | A | -0.0893 | |
| 456 | P | A | -0.5015 | |
| 457 | G | A | -0.4681 | |
| 458 | G | A | -0.0831 | |
| 459 | P | A | 0.1964 | |
| 460 | I | A | 0.8736 | |
| 461 | P | A | 0.0000 | |
| 462 | A | A | -0.7720 | |
| 463 | K | A | -1.9142 | |
| 464 | V | A | -1.3250 | |
| 465 | D | A | -2.1896 | |
| 466 | S | A | -1.5780 | |
| 467 | Y | A | -0.7974 | |
| 468 | E | A | -0.9769 | |
| 469 | W | A | 0.0000 | |
| 470 | Q | A | -0.1102 | |
| 471 | T | A | 0.0543 | |
| 472 | S | A | -0.0508 | |
| 473 | T | A | -0.5091 | |
| 474 | N | A | -1.3435 | |
| 475 | P | A | -0.7212 | |
| 476 | S | A | 0.1497 | |
| 477 | V | A | 1.2791 | |
| 478 | F | A | 1.5294 | |
| 479 | W | A | 0.7877 | |
| 480 | T | A | -0.0049 | |
| 481 | E | A | -0.7377 | |
| 482 | E | A | -0.6228 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.2025 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.1713 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | 0.0000 | |
| 492 | D | A | -0.3638 | |
| 493 | V | A | 0.7484 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.3827 | |
| 497 | E | A | -1.2045 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.4049 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.8303 | |
| 503 | L | A | 1.0042 | |
| 504 | P | A | 1.1057 | |
| 505 | V | A | 1.0532 | |
| 506 | L | A | 0.5951 | |
| 507 | T | A | -0.0468 | |
| 508 | H | A | -0.8325 | |
| 509 | Q | A | -0.5195 | |
| 510 | I | A | 0.2836 | |
| 511 | M | A | 0.2231 | |
| 512 | Y | A | 0.2433 | |
| 513 | V | A | 0.3062 | |
| 514 | P | A | -0.1319 | |
| 515 | P | A | -0.5582 | |
| 516 | G | A | -0.4927 | |
| 517 | G | A | -0.1398 | |
| 518 | P | A | 0.1096 | |
| 519 | I | A | 0.7816 | |
| 520 | P | A | 0.0000 | |
| 521 | A | A | -0.7454 | |
| 522 | K | A | -1.8069 | |
| 523 | V | A | -1.0384 | |
| 524 | D | A | -2.0912 | |
| 525 | S | A | -1.3433 | |
| 526 | Y | A | -0.6800 | |
| 527 | E | A | -1.0525 | |
| 528 | W | A | 0.0000 | |
| 529 | Q | A | -0.3202 | |
| 530 | T | A | -0.0437 | |
| 531 | S | A | 0.0072 | |
| 532 | T | A | -0.3331 | |
| 533 | N | A | -0.8072 | |
| 534 | P | A | -0.7097 | |
| 535 | S | A | -0.0806 | |
| 536 | V | A | 1.0564 | |
| 537 | F | A | 1.3038 | |
| 538 | W | A | 0.7637 | |
| 539 | T | A | -0.0669 | |
| 540 | E | A | -0.7168 | |
| 541 | T | A | -0.5214 | |
| 542 | L | A | 0.0000 | |
| 543 | W | A | 0.0641 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.5952 | |
| 546 | E | A | -2.2395 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.6712 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.5601 | |
| 551 | A | A | -1.8001 | |
| 552 | K | A | -2.0593 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | 0.0000 | |
| 556 | D | A | -1.5003 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.0055 | |
| 560 | V | A | -0.5804 | |
| 561 | L | A | 0.1190 | |
| 562 | R | A | -0.7495 | |
| 563 | A | A | -0.2070 | |
| 564 | P | A | 0.0555 | |
| 565 | V | A | 0.7364 | |
| 566 | L | A | 0.0046 | |
| 567 | T | A | -0.4123 | |
| 568 | H | A | -1.1614 | |
| 569 | Q | A | -0.7918 | |
| 570 | I | A | -0.1897 | |
| 571 | M | A | 0.0000 | |
| 572 | Y | A | 0.1519 | |
| 573 | V | A | 0.4312 | |
| 574 | P | A | -0.1035 | |
| 575 | P | A | -0.5400 | |
| 576 | G | A | -0.4867 | |
| 577 | G | A | -0.1206 | |
| 578 | P | A | 0.0977 | |
| 579 | I | A | 0.7778 | |
| 580 | P | A | 0.0000 | |
| 581 | A | A | -0.7663 | |
| 582 | K | A | -1.6769 | |
| 583 | V | A | -1.2310 | |
| 584 | D | A | -2.1493 | |
| 585 | S | A | -1.3441 | |
| 586 | Y | A | -0.3860 | |
| 587 | E | A | -1.1125 | |
| 588 | W | A | 0.0000 | |
| 589 | Q | A | -0.1250 | |
| 590 | T | A | -0.0157 | |
| 591 | S | A | -0.0701 | |
| 592 | T | A | -0.4907 | |
| 593 | N | A | -1.1793 | |
| 594 | P | A | -0.8018 | |
| 595 | S | A | -0.0161 | |
| 596 | V | A | 1.0567 | |
| 597 | F | A | 1.5252 | |
| 598 | W | A | 0.7558 | |
| 599 | T | A | 0.0486 | |
| 600 | E | A | -0.7814 | |
| 601 | E | A | -0.6308 | |
| 602 | L | A | 0.0000 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.9111 | |
| 606 | G | A | -1.5168 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.4790 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4033 | |
| 611 | D | A | -1.5185 | |
| 612 | E | A | -1.8039 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.4188 | |
| 616 | L | A | -1.2879 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -0.8357 | |
| 620 | T | A | -0.2415 | |
| 621 | L | A | 0.7010 | |
| 622 | L | A | 0.7708 | |
| 623 | P | A | 1.1217 | |
| 624 | V | A | 1.7694 | |
| 625 | L | A | 0.9630 | |
| 626 | T | A | 0.0824 | |
| 627 | H | A | -0.8104 | |
| 628 | Q | A | -0.5959 | |
| 629 | I | A | 0.1549 | |
| 630 | M | A | 0.2589 | |
| 631 | Y | A | 0.1570 | |
| 632 | V | A | 0.3802 | |
| 633 | P | A | -0.0738 | |
| 634 | P | A | -0.5489 | |
| 635 | G | A | -0.4331 | |
| 636 | G | A | -0.0282 | |
| 637 | P | A | 0.3088 | |
| 638 | I | A | 1.1850 | |
| 639 | P | A | 0.0000 | |
| 640 | A | A | -0.4402 | |
| 641 | K | A | -1.5447 | |
| 642 | V | A | -0.9838 | |
| 643 | D | A | -2.0904 | |
| 644 | S | A | -1.4892 | |
| 645 | Y | A | -0.8990 | |
| 646 | E | A | -1.0683 | |
| 647 | W | A | 0.0000 | |
| 648 | Q | A | 0.0000 | |
| 649 | T | A | 0.2240 | |
| 650 | S | A | 0.0469 | |
| 651 | T | A | -0.4884 | |
| 652 | N | A | -1.1217 | |
| 653 | P | A | -0.7564 | |
| 654 | S | A | 0.1023 | |
| 655 | V | A | 1.0934 | |
| 656 | F | A | 1.1749 | |
| 657 | W | A | 0.7132 | |
| 658 | T | A | -0.0987 | |
| 659 | E | A | -0.7506 | |
| 660 | S | A | -0.4898 | |
| 661 | L | A | 0.0000 | |
| 662 | W | A | 0.1243 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -1.0763 | |
| 665 | S | A | -1.7011 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5200 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.0793 | |
| 670 | A | A | -1.2339 | |
| 671 | A | A | -0.7956 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.9585 | |
| 675 | H | A | -0.8066 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.8861 | |
| 678 | S | A | -0.5066 | |
| 679 | V | A | 0.2437 | |
| 680 | L | A | 0.3443 | |
| 681 | A | A | -0.0055 | |
| 682 | Q | A | 0.0301 | |
| 683 | P | A | 0.2629 | |
| 684 | V | A | 0.6918 | |
| 685 | L | A | -0.1001 | |
| 686 | T | A | -0.2798 | |
| 687 | H | A | -0.9581 | |
| 688 | Q | A | -0.5120 | |
| 689 | I | A | -0.1170 | |
| 690 | M | A | 0.0000 | |
| 691 | Y | A | 0.1438 | |
| 692 | V | A | 0.5843 | |
| 693 | P | A | -0.0237 | |
| 694 | P | A | -0.5136 | |
| 695 | G | A | -0.4111 | |
| 696 | G | A | 0.0086 | |
| 697 | P | A | 0.3669 | |
| 698 | I | A | 1.2396 | |
| 699 | P | A | 0.0000 | |
| 700 | A | A | -0.6779 | |
| 701 | K | A | -1.8301 | |
| 702 | V | A | -1.2008 | |
| 703 | D | A | -2.0828 | |
| 704 | S | A | -1.5032 | |
| 705 | Y | A | -0.8322 | |
| 706 | E | A | -0.8665 | |
| 707 | W | A | 0.0000 | |
| 708 | Q | A | 0.0000 | |
| 709 | T | A | 0.0323 | |
| 710 | S | A | -0.2020 | |
| 711 | T | A | -0.5529 | |
| 712 | N | A | -1.2845 | |
| 713 | P | A | -0.5931 | |
| 714 | S | A | 0.1630 | |
| 715 | V | A | 1.3116 | |
| 716 | F | A | 1.2454 | |
| 717 | W | A | 0.7069 | |
| 718 | T | A | 0.0265 | |
| 719 | E | A | -0.6344 | |
| 720 | E | A | -0.4247 | |
| 721 | L | A | 0.0000 | |
| 722 | Q | A | 0.0000 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.4517 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -3.2292 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.8722 | |
| 730 | D | A | -2.2149 | |
| 731 | A | A | -1.3647 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -2.8269 | |
| 735 | E | A | -2.5396 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.9572 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | -0.2454 | |
| 741 | K | A | -0.2909 | |
| 742 | P | A | 0.5128 | |
| 743 | V | A | 0.9489 | |
| 744 | L | A | 0.6901 | |
| 745 | T | A | -0.0418 | |
| 746 | H | A | -0.9683 | |
| 747 | Q | A | -0.9422 | |
| 748 | I | A | 0.0211 | |
| 749 | M | A | 0.0000 | |
| 750 | Y | A | 0.1066 | |
| 751 | V | A | 0.3212 | |
| 752 | P | A | -0.1276 | |
| 753 | P | A | -0.5464 | |
| 754 | G | A | -0.4681 | |
| 755 | G | A | -0.0929 | |
| 756 | P | A | 0.1618 | |
| 757 | I | A | 0.8905 | |
| 758 | P | A | 0.0000 | |
| 759 | A | A | -0.7459 | |
| 760 | K | A | -1.8615 | |
| 761 | V | A | -1.2060 | |
| 762 | D | A | -2.1481 | |
| 763 | S | A | -1.3988 | |
| 764 | Y | A | -0.8923 | |
| 765 | E | A | -0.9533 | |
| 766 | W | A | 0.0000 | |
| 767 | Q | A | 0.0000 | |
| 768 | T | A | -0.0207 | |
| 769 | S | A | -0.1115 | |
| 770 | T | A | -0.4210 | |
| 771 | N | A | -0.9865 | |
| 772 | P | A | -0.5336 | |
| 773 | S | A | 0.1721 | |
| 774 | V | A | 1.1644 | |
| 775 | F | A | 1.3838 | |
| 776 | W | A | 0.7406 | |
| 777 | T | A | 0.0740 | |
| 778 | E | A | -0.5689 | |
| 779 | V | A | -0.2384 | |
| 780 | L | A | 0.0278 | |
| 781 | W | A | -0.0989 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | -1.4568 | |
| 784 | D | A | -3.2186 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -3.3102 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.8624 | |
| 789 | D | A | -0.8469 | |
| 790 | S | A | -0.9604 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.5913 | |
| 794 | S | A | -0.9744 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | -0.1238 | |
| 798 | T | A | -0.3237 | |
| 799 | L | A | 0.3703 | |
| 800 | L | A | 0.3644 | |
| 801 | H | A | -0.2197 | |
| 802 | P | A | 0.0099 | |
| 803 | V | A | 0.5257 | |
| 804 | L | A | -0.0260 | |
| 805 | T | A | -0.4811 | |
| 806 | H | A | -1.2255 | |
| 807 | Q | A | -0.9021 | |
| 808 | I | A | -0.0695 | |
| 809 | M | A | 0.0000 | |
| 810 | Y | A | 0.2174 | |
| 811 | V | A | 0.3557 | |
| 812 | P | A | -0.0811 | |
| 813 | P | A | -0.5411 | |
| 814 | G | A | -0.4185 | |
| 815 | G | A | -0.0108 | |
| 816 | P | A | 0.3149 | |
| 817 | I | A | 1.1750 | |
| 818 | P | A | 0.0000 | |
| 819 | A | A | -0.6757 | |
| 820 | K | A | -1.6762 | |
| 821 | V | A | -1.1907 | |
| 822 | D | A | -2.1401 | |
| 823 | S | A | -1.4208 | |
| 824 | Y | A | -0.8851 | |
| 825 | E | A | -0.9945 | |
| 826 | W | A | 0.0000 | |
| 827 | Q | A | -0.3616 | |
| 828 | T | A | -0.0316 | |
| 829 | S | A | -0.0007 | |
| 830 | T | A | -0.4559 | |
| 831 | N | A | -0.9638 | |
| 832 | P | A | -0.6181 | |
| 833 | S | A | -0.0709 | |
| 834 | V | A | 0.9178 | |
| 835 | F | A | 1.0436 | |
| 836 | W | A | 0.5779 | |
| 837 | T | A | -0.0840 | |
| 838 | E | A | -0.8335 | |
| 839 | E | A | -0.6448 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | -0.0525 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -1.5169 | |
| 845 | N | A | 0.0000 | |
| 846 | C | A | -0.3262 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.1583 | |
| 849 | D | A | -1.2354 | |
| 850 | A | A | -0.5702 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.7989 | |
| 854 | Q | A | -1.1539 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | 0.0000 | |
| 857 | E | A | -1.5837 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | -0.1229 | |
| 860 | R | A | -0.0166 | |
| 861 | P | A | 0.9935 | |
| 862 | V | A | 1.6641 | |
| 863 | L | A | 1.2328 | |
| 864 | T | A | 0.0977 | |
| 865 | H | A | -0.6241 | |
| 866 | Q | A | -0.1669 | |
| 867 | I | A | 0.1443 | |
| 868 | M | A | 0.0000 | |
| 869 | Y | A | 0.2732 | |
| 870 | V | A | 0.3242 | |
| 871 | P | A | -0.0658 | |
| 872 | P | A | -0.5417 | |
| 873 | G | A | -0.4526 | |
| 874 | G | A | -0.0353 | |
| 875 | P | A | 0.1602 | |
| 876 | I | A | 0.9968 | |
| 877 | P | A | 0.0000 | |
| 878 | A | A | -0.5639 | |
| 879 | K | A | -1.5387 | |
| 880 | V | A | -0.8187 | |
| 881 | D | A | -1.9423 | |
| 882 | S | A | -1.0431 | |
| 883 | Y | A | 0.0081 | |
| 884 | E | A | -1.4220 | |
| 885 | W | A | 0.0000 | |
| 886 | Q | A | -0.3960 | |
| 887 | T | A | 0.1309 | |
| 888 | S | A | 0.0261 | |
| 889 | T | A | -0.4926 | |
| 890 | N | A | -1.0745 | |
| 891 | P | A | -0.6993 | |
| 892 | S | A | 0.0853 | |
| 893 | V | A | 1.1269 | |
| 894 | F | A | 1.2603 | |
| 895 | W | A | 0.5727 | |
| 896 | T | A | -0.6889 | |
| 897 | E | A | -1.4013 | |
| 898 | Q | A | -1.1016 | |
| 899 | L | A | 0.0000 | |
| 900 | V | A | 0.4488 | |
| 901 | L | A | 0.0000 | |
| 902 | Y | A | 0.8459 | |
| 903 | D | A | -0.9264 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.7787 | |
| 906 | W | A | -0.4998 | |
| 907 | S | A | -1.9328 | |
| 908 | E | A | -3.5145 | |
| 909 | E | A | -3.9443 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.2712 | |
| 912 | D | A | -3.9663 | |
| 913 | R | A | -3.3070 | |
| 914 | L | A | -2.2988 | |
| 915 | Q | A | -2.7624 | |
| 916 | A | A | -2.5598 | |
| 917 | L | A | -2.4656 | |
| 918 | E | A | -3.4880 | |
| 919 | K | A | -3.3673 | |
| 920 | D | A | -2.9902 | |
| 921 | P | A | -1.4639 | |
| 922 | V | A | -0.2320 | |
| 923 | L | A | -0.0870 | |
| 924 | T | A | -0.8951 | |
| 925 | H | A | -1.0969 | |
| 926 | Q | A | -1.0023 | |
| 927 | I | A | 0.1931 | |
| 928 | M | A | 0.1188 | |
| 929 | Y | A | 0.3722 | |
| 930 | V | A | 0.6738 | |
| 931 | P | A | -0.0097 | |
| 932 | P | A | -0.4742 | |
| 933 | G | A | -0.4572 | |
| 934 | G | A | -0.0279 | |
| 935 | P | A | 0.1373 | |
| 936 | I | A | 1.1677 | |
| 937 | P | A | 0.0302 | |
| 938 | A | A | -0.4925 | |
| 939 | K | A | -1.2597 | |
| 940 | V | A | 0.1150 | |
| 941 | D | A | -1.6662 | |
| 942 | S | A | -1.0964 | |
| 943 | Y | A | -0.3651 | |
| 944 | E | A | -1.6555 | |
| 945 | W | A | 0.0000 | |
| 946 | Q | A | -1.5674 | |
| 947 | T | A | -0.9248 | |
| 948 | S | A | -0.6812 | |
| 949 | T | A | -0.7423 | |
| 950 | N | A | -1.1872 | |
| 951 | P | A | -0.5769 | |
| 952 | S | A | 0.1636 | |
| 953 | V | A | 1.8316 | |
| 954 | F | A | 1.6918 | |
| 955 | W | A | 0.5213 | |
| 956 | T | A | -1.1658 | |
| 957 | E | A | -2.3665 | |
| 958 | R | A | -2.2077 | |
| 959 | V | A | -0.0019 | |
| 960 | I | A | 0.9290 | |
| 961 | S | A | 0.6190 |
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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, -0.3568 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 | -0.3568 | View | CSV | PDB |
| model_4 | -0.4246 | View | CSV | PDB |
| model_11 | -0.4322 | View | CSV | PDB |
| model_3 | -0.4346 | View | CSV | PDB |
| model_2 | -0.4352 | View | CSV | PDB |
| model_8 | -0.4399 | View | CSV | PDB |
| model_9 | -0.4477 | View | CSV | PDB |
| model_10 | -0.449 | View | CSV | PDB |
| CABS_average | -0.4515 | View | CSV | PDB |
| model_5 | -0.4609 | View | CSV | PDB |
| model_6 | -0.4618 | View | CSV | PDB |
| model_1 | -0.469 | View | CSV | PDB |
| model_7 | -0.4769 | View | CSV | PDB |
| model_0 | -0.4863 | 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