Project name: C44_E18_EF_DIRECT
Status: done
Started: 2026-07-21 11:00:40
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVRLDDCGLTEARCKDISSALRVPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELNLRSNELGDVGVHCVLQGLQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEKLSLQNCCLTGAGCGVLSSTLRTPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELHLSDNLLGDAGLQLLCEGLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEKLQLEYCSLSAASCEPLASVLRAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELTVSNNDINEAGVRVLCQGLKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEALKLESCGVTSDNCRDLCGIVASPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELALGSNKLGDVGMAELCPGLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTERVIS
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 (00:13:53)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:08:44)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:08:55)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:09:07)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:09:18)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:09:29)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:09:39)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:09:50)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:10:00)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:10:10)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:10:21)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:10:31)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:10:42)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:10:52)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:11:17)
[INFO] Main: Simulation completed successfully. (04:11:29)
|
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
- -4.0362
- Maximal score value
- 3.1084
- Average score
- -0.2177
- Total score value
- -209.1929
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 | 0.1354 | |
| 2 | L | A | 0.6195 | |
| 3 | D | A | -0.8905 | |
| 4 | I | A | -0.0473 | |
| 5 | Q | A | -0.8236 | |
| 6 | S | A | -1.3474 | |
| 7 | L | A | -1.2080 | |
| 8 | D | A | -2.4351 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.6182 | |
| 11 | C | A | -1.5013 | |
| 12 | E | A | -2.6554 | |
| 13 | E | A | -3.1753 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.0717 | |
| 16 | D | A | -2.4557 | |
| 17 | A | A | -1.5320 | |
| 18 | R | A | -1.8997 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4051 | |
| 21 | E | A | -2.0702 | |
| 22 | L | A | -0.8602 | |
| 23 | L | A | -0.4655 | |
| 24 | P | A | -0.3523 | |
| 25 | L | A | 0.3301 | |
| 26 | L | A | 0.3414 | |
| 27 | Q | A | 0.2270 | |
| 28 | P | A | 1.2645 | |
| 29 | V | A | 1.9873 | |
| 30 | L | A | 2.0757 | |
| 31 | T | A | 0.3717 | |
| 32 | H | A | -0.5923 | |
| 33 | Q | A | -0.6630 | |
| 34 | I | A | 1.6318 | |
| 35 | M | A | 1.5985 | |
| 36 | Y | A | 1.9966 | |
| 37 | V | A | 1.2794 | |
| 38 | P | A | 0.3332 | |
| 39 | P | A | -0.1800 | |
| 40 | G | A | -0.4305 | |
| 41 | G | A | 0.1216 | |
| 42 | P | A | 0.3792 | |
| 43 | I | A | 1.5485 | |
| 44 | P | A | 0.1802 | |
| 45 | A | A | -0.2574 | |
| 46 | K | A | -1.1689 | |
| 47 | V | A | 0.2829 | |
| 48 | D | A | -1.4392 | |
| 49 | S | A | -0.6063 | |
| 50 | Y | A | -0.1509 | |
| 51 | E | A | -1.0077 | |
| 52 | W | A | 0.4115 | |
| 53 | Q | A | 0.0000 | |
| 54 | T | A | 0.8499 | |
| 55 | S | A | -0.1853 | |
| 56 | T | A | -0.8363 | |
| 57 | N | A | -1.5394 | |
| 58 | P | A | -0.8077 | |
| 59 | S | A | 0.3138 | |
| 60 | V | A | 1.7176 | |
| 61 | F | A | 2.4438 | |
| 62 | W | A | 1.2495 | |
| 63 | T | A | -0.0122 | |
| 64 | E | A | -1.5085 | |
| 65 | V | A | -1.1837 | |
| 66 | R | A | -2.0501 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -2.2965 | |
| 69 | D | A | -2.7876 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.2399 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.2445 | |
| 74 | E | A | -1.3352 | |
| 75 | A | A | -0.7674 | |
| 76 | R | A | -1.3746 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -1.8893 | |
| 79 | D | A | -1.5393 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -1.0206 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | -0.4673 | |
| 85 | R | A | -1.1745 | |
| 86 | V | A | 0.6100 | |
| 87 | P | A | 0.7011 | |
| 88 | V | A | 1.7724 | |
| 89 | L | A | 1.8026 | |
| 90 | T | A | -0.0776 | |
| 91 | H | A | -1.2006 | |
| 92 | Q | A | -1.4689 | |
| 93 | I | A | -0.1843 | |
| 94 | M | A | 0.0000 | |
| 95 | Y | A | 0.3627 | |
| 96 | V | A | 0.0000 | |
| 97 | P | A | -0.0502 | |
| 98 | P | A | -0.3376 | |
| 99 | G | A | -0.4930 | |
| 100 | G | A | -0.0723 | |
| 101 | P | A | 0.4342 | |
| 102 | I | A | 1.2708 | |
| 103 | P | A | 0.0850 | |
| 104 | A | A | -0.3312 | |
| 105 | K | A | -1.3391 | |
| 106 | V | A | -0.1395 | |
| 107 | D | A | -1.3705 | |
| 108 | S | A | -0.7685 | |
| 109 | Y | A | -0.6490 | |
| 110 | E | A | -0.3081 | |
| 111 | W | A | 0.4293 | |
| 112 | Q | A | 0.0000 | |
| 113 | T | A | 0.2597 | |
| 114 | S | A | 0.0000 | |
| 115 | T | A | -0.6982 | |
| 116 | N | A | -1.0011 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | 0.3430 | |
| 119 | V | A | 1.5353 | |
| 120 | F | A | 1.9992 | |
| 121 | W | A | 1.1005 | |
| 122 | T | A | 0.0353 | |
| 123 | E | A | -0.8806 | |
| 124 | E | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.0643 | |
| 129 | S | A | -1.9288 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.4898 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.4703 | |
| 134 | D | A | 0.1283 | |
| 135 | V | A | 1.1068 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.2228 | |
| 139 | C | A | -0.5402 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.3202 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.5775 | |
| 145 | Q | A | -1.1477 | |
| 146 | P | A | 0.0946 | |
| 147 | V | A | 1.2313 | |
| 148 | L | A | 1.5973 | |
| 149 | T | A | 0.3274 | |
| 150 | H | A | -1.3272 | |
| 151 | Q | A | -1.4817 | |
| 152 | I | A | -0.5083 | |
| 153 | M | A | 0.0000 | |
| 154 | Y | A | 0.2208 | |
| 155 | V | A | 0.0000 | |
| 156 | P | A | -0.0671 | |
| 157 | P | A | -0.5903 | |
| 158 | G | A | -0.4447 | |
| 159 | G | A | -0.0692 | |
| 160 | P | A | 0.7947 | |
| 161 | I | A | 1.4214 | |
| 162 | P | A | 0.2460 | |
| 163 | A | A | -0.2743 | |
| 164 | K | A | -1.2318 | |
| 165 | V | A | -0.2285 | |
| 166 | D | A | -1.3905 | |
| 167 | S | A | -0.6137 | |
| 168 | Y | A | -0.6508 | |
| 169 | E | A | -0.0737 | |
| 170 | W | A | 0.0000 | |
| 171 | Q | A | 0.0000 | |
| 172 | T | A | 0.1778 | |
| 173 | S | A | -0.2433 | |
| 174 | T | A | -0.4767 | |
| 175 | N | A | -0.6876 | |
| 176 | P | A | 0.0000 | |
| 177 | S | A | 0.3664 | |
| 178 | V | A | 1.0390 | |
| 179 | F | A | 1.2607 | |
| 180 | W | A | 0.3666 | |
| 181 | T | A | -0.6621 | |
| 182 | E | A | -1.6855 | |
| 183 | K | A | -1.4284 | |
| 184 | L | A | -0.7850 | |
| 185 | S | A | -0.8251 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.2830 | |
| 188 | N | A | -1.6685 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.5400 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.5528 | |
| 193 | G | A | 0.1118 | |
| 194 | A | A | 0.3543 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.1517 | |
| 198 | V | A | 0.0914 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.6482 | |
| 202 | T | A | -0.7109 | |
| 203 | L | A | -0.0899 | |
| 204 | R | A | -1.0991 | |
| 205 | T | A | -0.4878 | |
| 206 | P | A | 0.6794 | |
| 207 | V | A | 1.1162 | |
| 208 | L | A | 1.5406 | |
| 209 | T | A | 0.2148 | |
| 210 | H | A | -1.1525 | |
| 211 | Q | A | -1.1526 | |
| 212 | I | A | -0.4794 | |
| 213 | M | A | 0.0000 | |
| 214 | Y | A | 0.2058 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | -0.1096 | |
| 217 | P | A | -0.6394 | |
| 218 | G | A | -0.5158 | |
| 219 | G | A | -0.1046 | |
| 220 | P | A | 0.7853 | |
| 221 | I | A | 1.4456 | |
| 222 | P | A | 0.3109 | |
| 223 | A | A | -0.2718 | |
| 224 | K | A | -1.1819 | |
| 225 | V | A | -0.1926 | |
| 226 | D | A | -1.3798 | |
| 227 | S | A | -0.3900 | |
| 228 | Y | A | -0.3375 | |
| 229 | E | A | -0.0332 | |
| 230 | W | A | 0.0000 | |
| 231 | Q | A | 0.0000 | |
| 232 | T | A | 0.1726 | |
| 233 | S | A | 0.0000 | |
| 234 | T | A | -0.4347 | |
| 235 | N | A | -0.6443 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | 0.2288 | |
| 238 | V | A | 0.8817 | |
| 239 | F | A | 1.2736 | |
| 240 | W | A | 0.1763 | |
| 241 | T | A | -1.0359 | |
| 242 | E | A | -2.2504 | |
| 243 | E | A | -1.8813 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -1.0041 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.8006 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.1164 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | -0.0050 | |
| 253 | D | A | -0.7089 | |
| 254 | A | A | -0.2893 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -1.0480 | |
| 258 | L | A | -0.0917 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.0333 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.9089 | |
| 264 | L | A | 1.7000 | |
| 265 | P | A | 2.1603 | |
| 266 | V | A | 2.8616 | |
| 267 | L | A | 2.5058 | |
| 268 | T | A | 0.9214 | |
| 269 | H | A | -0.7012 | |
| 270 | Q | A | -1.0779 | |
| 271 | I | A | -0.2275 | |
| 272 | M | A | 0.0000 | |
| 273 | Y | A | 0.1603 | |
| 274 | V | A | 0.0000 | |
| 275 | P | A | -0.3317 | |
| 276 | P | A | -0.7145 | |
| 277 | G | A | -0.5076 | |
| 278 | G | A | -0.0803 | |
| 279 | P | A | 0.8026 | |
| 280 | I | A | 1.4549 | |
| 281 | P | A | 0.2712 | |
| 282 | A | A | -0.2815 | |
| 283 | K | A | -1.2067 | |
| 284 | V | A | -0.1589 | |
| 285 | D | A | -1.3388 | |
| 286 | S | A | -0.6128 | |
| 287 | Y | A | -0.4808 | |
| 288 | E | A | -0.1031 | |
| 289 | W | A | 0.0000 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.1316 | |
| 292 | S | A | 0.0000 | |
| 293 | T | A | -0.4724 | |
| 294 | N | A | -0.8284 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | 0.1565 | |
| 297 | V | A | 0.9028 | |
| 298 | F | A | 1.2506 | |
| 299 | W | A | 0.2440 | |
| 300 | T | A | -0.9480 | |
| 301 | E | A | -2.2734 | |
| 302 | K | A | -1.9689 | |
| 303 | L | A | -1.1239 | |
| 304 | Q | A | -0.7510 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.3008 | |
| 307 | Y | A | 0.3957 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.2203 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9962 | |
| 312 | A | A | -1.2297 | |
| 313 | A | A | -0.6749 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.0602 | |
| 317 | P | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -0.8612 | |
| 321 | V | A | 0.1012 | |
| 322 | L | A | -0.2296 | |
| 323 | R | A | -1.3366 | |
| 324 | A | A | 0.1562 | |
| 325 | P | A | 0.8204 | |
| 326 | V | A | 2.3606 | |
| 327 | L | A | 2.2076 | |
| 328 | T | A | 0.2433 | |
| 329 | H | A | -0.6982 | |
| 330 | Q | A | -1.0950 | |
| 331 | I | A | -0.3001 | |
| 332 | M | A | 0.0000 | |
| 333 | Y | A | 0.2208 | |
| 334 | V | A | 0.0000 | |
| 335 | P | A | -0.1493 | |
| 336 | P | A | -0.6784 | |
| 337 | G | A | -0.4789 | |
| 338 | G | A | -0.0858 | |
| 339 | P | A | 0.7345 | |
| 340 | I | A | 1.4160 | |
| 341 | P | A | 0.2531 | |
| 342 | A | A | -0.2447 | |
| 343 | K | A | -1.2082 | |
| 344 | V | A | -0.1801 | |
| 345 | D | A | -1.3177 | |
| 346 | S | A | -0.6629 | |
| 347 | Y | A | -0.4518 | |
| 348 | E | A | -0.0365 | |
| 349 | W | A | 0.4966 | |
| 350 | Q | A | 0.0000 | |
| 351 | T | A | 0.2305 | |
| 352 | S | A | -0.2507 | |
| 353 | T | A | -0.6526 | |
| 354 | N | A | -1.1673 | |
| 355 | P | A | -0.6223 | |
| 356 | S | A | 0.0940 | |
| 357 | V | A | 0.8961 | |
| 358 | F | A | 1.2941 | |
| 359 | W | A | 0.4909 | |
| 360 | T | A | -0.5494 | |
| 361 | E | A | -1.4005 | |
| 362 | E | A | -1.5859 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.9085 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.2003 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.9081 | |
| 372 | E | A | -2.3664 | |
| 373 | A | A | -1.2696 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.3662 | |
| 377 | V | A | -1.2660 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -1.8897 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -0.8497 | |
| 383 | K | A | -1.9148 | |
| 384 | D | A | -2.0256 | |
| 385 | P | A | -0.0780 | |
| 386 | V | A | 1.4214 | |
| 387 | L | A | 1.8902 | |
| 388 | T | A | 0.6012 | |
| 389 | H | A | -0.9166 | |
| 390 | Q | A | -0.9978 | |
| 391 | I | A | -0.0206 | |
| 392 | M | A | 0.0000 | |
| 393 | Y | A | 0.3104 | |
| 394 | V | A | 0.0000 | |
| 395 | P | A | -0.3041 | |
| 396 | P | A | -0.6413 | |
| 397 | G | A | -0.4730 | |
| 398 | G | A | -0.0725 | |
| 399 | P | A | 0.7932 | |
| 400 | I | A | 1.4207 | |
| 401 | P | A | 0.3076 | |
| 402 | A | A | -0.2982 | |
| 403 | K | A | -1.1828 | |
| 404 | V | A | -0.1830 | |
| 405 | D | A | -1.1607 | |
| 406 | S | A | -0.5610 | |
| 407 | Y | A | -0.2965 | |
| 408 | E | A | 0.0582 | |
| 409 | W | A | 0.6342 | |
| 410 | Q | A | 0.0000 | |
| 411 | T | A | 0.1924 | |
| 412 | S | A | -0.4061 | |
| 413 | T | A | -0.7764 | |
| 414 | N | A | -1.2870 | |
| 415 | P | A | 0.0000 | |
| 416 | S | A | 0.1082 | |
| 417 | V | A | 1.0377 | |
| 418 | F | A | 1.3485 | |
| 419 | W | A | 0.5525 | |
| 420 | T | A | -0.3826 | |
| 421 | E | A | -1.0676 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | -0.5366 | |
| 424 | K | A | -0.5695 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.6859 | |
| 427 | S | A | -1.2435 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.7613 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.7002 | |
| 432 | S | A | -1.4762 | |
| 433 | D | A | -2.7614 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.5300 | |
| 437 | D | A | -1.9480 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.4537 | |
| 440 | G | A | -0.6571 | |
| 441 | I | A | -0.3437 | |
| 442 | V | A | 0.5705 | |
| 443 | A | A | 0.7825 | |
| 444 | S | A | 0.2334 | |
| 445 | P | A | 1.2219 | |
| 446 | V | A | 1.4489 | |
| 447 | L | A | 1.6306 | |
| 448 | T | A | 0.1460 | |
| 449 | H | A | -0.9023 | |
| 450 | Q | A | -1.0355 | |
| 451 | I | A | -0.2179 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 0.2666 | |
| 454 | V | A | 0.0000 | |
| 455 | P | A | -0.1184 | |
| 456 | P | A | -0.6415 | |
| 457 | G | A | -0.4668 | |
| 458 | G | A | -0.0748 | |
| 459 | P | A | 0.8365 | |
| 460 | I | A | 1.4677 | |
| 461 | P | A | 0.3703 | |
| 462 | A | A | -0.3089 | |
| 463 | K | A | -1.1504 | |
| 464 | V | A | -0.1355 | |
| 465 | D | A | -1.2012 | |
| 466 | S | A | -0.4869 | |
| 467 | Y | A | -0.3310 | |
| 468 | E | A | 0.0872 | |
| 469 | W | A | 0.5597 | |
| 470 | Q | A | 0.0000 | |
| 471 | T | A | 0.2253 | |
| 472 | S | A | 0.0000 | |
| 473 | T | A | -0.7708 | |
| 474 | N | A | -1.2669 | |
| 475 | P | A | 0.0000 | |
| 476 | S | A | 0.1482 | |
| 477 | V | A | 1.1934 | |
| 478 | F | A | 1.4452 | |
| 479 | W | A | 0.6229 | |
| 480 | T | A | -0.4080 | |
| 481 | E | A | -1.2699 | |
| 482 | E | A | -1.0352 | |
| 483 | L | A | -0.2842 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.2765 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.2078 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.8584 | |
| 492 | D | A | -0.3429 | |
| 493 | V | A | 0.5794 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.2940 | |
| 497 | E | A | -1.0752 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.4240 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 1.1095 | |
| 503 | L | A | 1.3833 | |
| 504 | P | A | 2.1048 | |
| 505 | V | A | 3.1084 | |
| 506 | L | A | 2.4510 | |
| 507 | T | A | 1.0087 | |
| 508 | H | A | -0.4781 | |
| 509 | Q | A | -0.8988 | |
| 510 | I | A | -0.2255 | |
| 511 | M | A | 0.0000 | |
| 512 | Y | A | 0.2567 | |
| 513 | V | A | 0.0000 | |
| 514 | P | A | -0.3031 | |
| 515 | P | A | -0.6692 | |
| 516 | G | A | -0.4599 | |
| 517 | G | A | -0.0774 | |
| 518 | P | A | 0.7925 | |
| 519 | I | A | 1.4585 | |
| 520 | P | A | 0.3148 | |
| 521 | A | A | -0.2862 | |
| 522 | K | A | -1.1684 | |
| 523 | V | A | -0.1870 | |
| 524 | D | A | -1.2517 | |
| 525 | S | A | -0.5936 | |
| 526 | Y | A | -0.4929 | |
| 527 | E | A | 0.0021 | |
| 528 | W | A | 0.0000 | |
| 529 | Q | A | 0.0000 | |
| 530 | T | A | 0.1461 | |
| 531 | S | A | 0.0000 | |
| 532 | T | A | -0.9429 | |
| 533 | N | A | -1.6892 | |
| 534 | P | A | 0.0000 | |
| 535 | S | A | 0.4076 | |
| 536 | V | A | 1.7014 | |
| 537 | F | A | 1.8187 | |
| 538 | W | A | 0.8842 | |
| 539 | T | A | -0.3186 | |
| 540 | E | A | -1.0750 | |
| 541 | T | A | -0.7293 | |
| 542 | L | A | -0.0801 | |
| 543 | W | A | 0.1254 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.6011 | |
| 546 | E | A | -2.3879 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.7321 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.6011 | |
| 551 | A | A | -1.7901 | |
| 552 | K | A | -1.8201 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | -1.4118 | |
| 556 | D | A | -1.2006 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.1509 | |
| 560 | V | A | 0.0000 | |
| 561 | L | A | -0.3223 | |
| 562 | R | A | -1.3690 | |
| 563 | A | A | -0.4902 | |
| 564 | P | A | 0.8171 | |
| 565 | V | A | 2.0610 | |
| 566 | L | A | 1.6923 | |
| 567 | T | A | 0.3373 | |
| 568 | H | A | -0.4227 | |
| 569 | Q | A | -0.9807 | |
| 570 | I | A | -0.2399 | |
| 571 | M | A | 0.0000 | |
| 572 | Y | A | 0.2674 | |
| 573 | V | A | 0.0000 | |
| 574 | P | A | -0.3200 | |
| 575 | P | A | -0.6414 | |
| 576 | G | A | -0.4589 | |
| 577 | G | A | -0.0010 | |
| 578 | P | A | 0.8312 | |
| 579 | I | A | 1.4734 | |
| 580 | P | A | 0.4470 | |
| 581 | A | A | -0.1903 | |
| 582 | K | A | -1.0219 | |
| 583 | V | A | 0.0014 | |
| 584 | D | A | -0.7517 | |
| 585 | S | A | -0.1847 | |
| 586 | Y | A | 0.0846 | |
| 587 | E | A | 0.3834 | |
| 588 | W | A | 0.7218 | |
| 589 | Q | A | 0.0000 | |
| 590 | T | A | 0.2796 | |
| 591 | S | A | -0.4148 | |
| 592 | T | A | -0.9238 | |
| 593 | N | A | -1.4256 | |
| 594 | P | A | 0.0000 | |
| 595 | S | A | 0.5505 | |
| 596 | V | A | 2.1772 | |
| 597 | F | A | 1.9631 | |
| 598 | W | A | 0.9770 | |
| 599 | T | A | -0.2883 | |
| 600 | E | A | -1.0949 | |
| 601 | E | A | -0.8551 | |
| 602 | L | A | -0.0853 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.8301 | |
| 606 | G | A | -1.5510 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.3399 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4211 | |
| 611 | D | A | -1.5305 | |
| 612 | E | A | -1.9045 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.5800 | |
| 616 | L | A | -1.4234 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -1.5254 | |
| 620 | T | A | -0.5816 | |
| 621 | L | A | 0.8408 | |
| 622 | L | A | 1.4307 | |
| 623 | P | A | 1.8716 | |
| 624 | V | A | 2.6618 | |
| 625 | L | A | 2.3306 | |
| 626 | T | A | 0.6054 | |
| 627 | H | A | -0.6752 | |
| 628 | Q | A | -1.1008 | |
| 629 | I | A | 0.0955 | |
| 630 | M | A | 0.0000 | |
| 631 | Y | A | 0.3927 | |
| 632 | V | A | 0.0000 | |
| 633 | P | A | -0.2905 | |
| 634 | P | A | -0.6110 | |
| 635 | G | A | -0.4740 | |
| 636 | G | A | -0.0506 | |
| 637 | P | A | 0.4776 | |
| 638 | I | A | 1.4433 | |
| 639 | P | A | 0.3445 | |
| 640 | A | A | -0.2858 | |
| 641 | K | A | -1.1209 | |
| 642 | V | A | -0.0440 | |
| 643 | D | A | -1.2529 | |
| 644 | S | A | -0.6330 | |
| 645 | Y | A | -0.4583 | |
| 646 | E | A | -0.0548 | |
| 647 | W | A | 0.4760 | |
| 648 | Q | A | 0.0000 | |
| 649 | T | A | 0.2039 | |
| 650 | S | A | -0.4345 | |
| 651 | T | A | -0.8310 | |
| 652 | N | A | -1.3732 | |
| 653 | P | A | -0.5987 | |
| 654 | S | A | 0.3417 | |
| 655 | V | A | 1.4439 | |
| 656 | F | A | 1.6731 | |
| 657 | W | A | 0.7978 | |
| 658 | T | A | -0.4161 | |
| 659 | E | A | -1.3284 | |
| 660 | S | A | -0.7898 | |
| 661 | L | A | -0.2080 | |
| 662 | W | A | 0.3267 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -0.7323 | |
| 665 | S | A | -1.6671 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5881 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.2735 | |
| 670 | A | A | -1.1799 | |
| 671 | A | A | -0.8210 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.9030 | |
| 675 | H | A | -1.0364 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.7683 | |
| 678 | S | A | -0.5174 | |
| 679 | V | A | 0.2726 | |
| 680 | L | A | 0.5259 | |
| 681 | A | A | -0.0775 | |
| 682 | Q | A | 0.1593 | |
| 683 | P | A | 0.8992 | |
| 684 | V | A | 1.9957 | |
| 685 | L | A | 1.5339 | |
| 686 | T | A | 0.1758 | |
| 687 | H | A | -0.9555 | |
| 688 | Q | A | -1.0149 | |
| 689 | I | A | -0.1250 | |
| 690 | M | A | 0.0000 | |
| 691 | Y | A | 0.2327 | |
| 692 | V | A | 0.0000 | |
| 693 | P | A | -0.1006 | |
| 694 | P | A | -0.6335 | |
| 695 | G | A | -0.4905 | |
| 696 | G | A | -0.0780 | |
| 697 | P | A | 0.4765 | |
| 698 | I | A | 1.3849 | |
| 699 | P | A | 0.2452 | |
| 700 | A | A | -0.3333 | |
| 701 | K | A | -1.2072 | |
| 702 | V | A | -0.2127 | |
| 703 | D | A | -1.3377 | |
| 704 | S | A | -0.6875 | |
| 705 | Y | A | -0.0891 | |
| 706 | E | A | 0.0450 | |
| 707 | W | A | 0.5084 | |
| 708 | Q | A | 0.1230 | |
| 709 | T | A | 0.1969 | |
| 710 | S | A | -0.3292 | |
| 711 | T | A | -0.7158 | |
| 712 | N | A | -1.0231 | |
| 713 | P | A | -0.5023 | |
| 714 | S | A | 0.3655 | |
| 715 | V | A | 1.4241 | |
| 716 | F | A | 1.5873 | |
| 717 | W | A | 0.6987 | |
| 718 | T | A | -0.2708 | |
| 719 | E | A | -0.9819 | |
| 720 | E | A | -0.7451 | |
| 721 | L | A | -0.0707 | |
| 722 | Q | A | 0.0000 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.4339 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -3.2078 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.8117 | |
| 730 | D | A | -2.0549 | |
| 731 | A | A | -1.1543 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -2.1931 | |
| 735 | E | A | -2.1650 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.7836 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | 0.0103 | |
| 741 | G | A | 0.1489 | |
| 742 | P | A | 1.1343 | |
| 743 | V | A | 2.0926 | |
| 744 | L | A | 1.9980 | |
| 745 | T | A | 0.6823 | |
| 746 | H | A | -0.9289 | |
| 747 | Q | A | -1.3239 | |
| 748 | I | A | -0.1559 | |
| 749 | M | A | 0.1398 | |
| 750 | Y | A | 0.3424 | |
| 751 | V | A | 0.0000 | |
| 752 | P | A | -0.0790 | |
| 753 | P | A | -0.6197 | |
| 754 | G | A | -0.4927 | |
| 755 | G | A | -0.1439 | |
| 756 | P | A | 0.4638 | |
| 757 | I | A | 1.4051 | |
| 758 | P | A | 0.2014 | |
| 759 | A | A | -0.3327 | |
| 760 | K | A | -1.2225 | |
| 761 | V | A | -0.1577 | |
| 762 | D | A | -1.2824 | |
| 763 | S | A | -0.6184 | |
| 764 | Y | A | -0.3426 | |
| 765 | E | A | -0.2205 | |
| 766 | W | A | 0.4050 | |
| 767 | Q | A | 0.0000 | |
| 768 | T | A | 0.1942 | |
| 769 | S | A | -0.3196 | |
| 770 | T | A | -0.5773 | |
| 771 | N | A | -0.8461 | |
| 772 | P | A | 0.0000 | |
| 773 | S | A | 0.5913 | |
| 774 | V | A | 1.6728 | |
| 775 | F | A | 1.7625 | |
| 776 | W | A | 0.8669 | |
| 777 | T | A | -0.1176 | |
| 778 | E | A | -0.6941 | |
| 779 | V | A | -0.2994 | |
| 780 | L | A | 0.0890 | |
| 781 | W | A | 0.1932 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | -1.1902 | |
| 784 | D | A | -2.7132 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -3.2509 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.8715 | |
| 789 | D | A | -0.9366 | |
| 790 | S | A | -0.8797 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.4722 | |
| 794 | S | A | -0.6825 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | 0.4141 | |
| 798 | T | A | 0.3949 | |
| 799 | L | A | 1.1204 | |
| 800 | L | A | 1.7487 | |
| 801 | A | A | 1.3356 | |
| 802 | P | A | 1.3585 | |
| 803 | V | A | 1.9925 | |
| 804 | L | A | 1.7068 | |
| 805 | T | A | 0.4203 | |
| 806 | H | A | -0.6597 | |
| 807 | Q | A | -0.8060 | |
| 808 | I | A | -0.1327 | |
| 809 | M | A | 0.0000 | |
| 810 | Y | A | 0.1497 | |
| 811 | V | A | 0.0000 | |
| 812 | P | A | -0.1464 | |
| 813 | P | A | -0.6249 | |
| 814 | G | A | -0.4765 | |
| 815 | G | A | -0.0283 | |
| 816 | P | A | 0.5159 | |
| 817 | I | A | 1.3665 | |
| 818 | P | A | 0.2161 | |
| 819 | A | A | -0.3360 | |
| 820 | K | A | -1.2255 | |
| 821 | V | A | -0.1618 | |
| 822 | D | A | -1.3865 | |
| 823 | S | A | -0.5570 | |
| 824 | Y | A | -0.0730 | |
| 825 | E | A | -0.0619 | |
| 826 | W | A | 0.4061 | |
| 827 | Q | A | 0.0258 | |
| 828 | T | A | -0.0107 | |
| 829 | S | A | -0.3221 | |
| 830 | T | A | -0.5519 | |
| 831 | N | A | -0.8322 | |
| 832 | P | A | -0.2882 | |
| 833 | S | A | 0.5526 | |
| 834 | V | A | 1.6174 | |
| 835 | F | A | 1.6820 | |
| 836 | W | A | 0.8797 | |
| 837 | T | A | -0.0116 | |
| 838 | E | A | -0.5680 | |
| 839 | E | A | -0.7098 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -1.7952 | |
| 845 | N | A | 0.0000 | |
| 846 | C | A | -0.2165 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.5413 | |
| 849 | D | A | -2.0366 | |
| 850 | A | A | -0.9317 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.6941 | |
| 854 | Q | A | -1.0106 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | 0.0000 | |
| 857 | E | A | -1.4287 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | -0.5612 | |
| 860 | R | A | -1.1335 | |
| 861 | P | A | 0.5868 | |
| 862 | V | A | 2.1418 | |
| 863 | L | A | 1.8054 | |
| 864 | T | A | 0.6560 | |
| 865 | H | A | -0.5128 | |
| 866 | Q | A | -0.5657 | |
| 867 | I | A | 0.1911 | |
| 868 | M | A | 0.2671 | |
| 869 | Y | A | 0.2065 | |
| 870 | V | A | 0.0000 | |
| 871 | P | A | -0.1257 | |
| 872 | P | A | -0.6258 | |
| 873 | G | A | -0.4804 | |
| 874 | G | A | -0.0823 | |
| 875 | P | A | 0.4376 | |
| 876 | I | A | 1.3441 | |
| 877 | P | A | 0.1416 | |
| 878 | A | A | -0.3610 | |
| 879 | K | A | -1.2269 | |
| 880 | V | A | -0.1022 | |
| 881 | D | A | -1.5673 | |
| 882 | S | A | -0.6702 | |
| 883 | Y | A | -0.1958 | |
| 884 | E | A | -0.1572 | |
| 885 | W | A | 0.3721 | |
| 886 | Q | A | 0.0000 | |
| 887 | T | A | 0.2460 | |
| 888 | S | A | -0.3586 | |
| 889 | T | A | -0.7611 | |
| 890 | N | A | -1.1448 | |
| 891 | P | A | 0.0000 | |
| 892 | S | A | 0.7076 | |
| 893 | V | A | 1.8504 | |
| 894 | F | A | 2.2822 | |
| 895 | W | A | 1.1844 | |
| 896 | T | A | -0.2943 | |
| 897 | E | A | -1.3865 | |
| 898 | Q | A | -1.0520 | |
| 899 | L | A | 0.0000 | |
| 900 | V | A | 0.3508 | |
| 901 | L | A | 0.0000 | |
| 902 | Y | A | 0.6584 | |
| 903 | D | A | -1.0521 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.5685 | |
| 906 | W | A | -0.7714 | |
| 907 | S | A | -2.1379 | |
| 908 | E | A | -3.6006 | |
| 909 | E | A | -4.0362 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.2919 | |
| 912 | D | A | -3.8602 | |
| 913 | R | A | -3.2665 | |
| 914 | L | A | 0.0000 | |
| 915 | Q | A | -2.7431 | |
| 916 | A | A | -2.5338 | |
| 917 | L | A | -2.2860 | |
| 918 | E | A | -3.5160 | |
| 919 | K | A | -3.4163 | |
| 920 | D | A | -2.6351 | |
| 921 | P | A | -0.9416 | |
| 922 | V | A | 0.1881 | |
| 923 | L | A | 1.2990 | |
| 924 | T | A | 0.5309 | |
| 925 | H | A | -0.7362 | |
| 926 | Q | A | -1.0559 | |
| 927 | I | A | -0.1307 | |
| 928 | M | A | 0.2581 | |
| 929 | Y | A | 0.1864 | |
| 930 | V | A | 0.0000 | |
| 931 | P | A | -0.0159 | |
| 932 | P | A | -0.6225 | |
| 933 | G | A | -0.4649 | |
| 934 | G | A | 0.1013 | |
| 935 | P | A | 0.4586 | |
| 936 | I | A | 1.1327 | |
| 937 | P | A | 0.2089 | |
| 938 | A | A | -0.2513 | |
| 939 | K | A | -1.0240 | |
| 940 | V | A | 0.1283 | |
| 941 | D | A | -1.5717 | |
| 942 | S | A | -0.4314 | |
| 943 | Y | A | 0.1934 | |
| 944 | E | A | -0.8347 | |
| 945 | W | A | 0.6273 | |
| 946 | Q | A | 0.0835 | |
| 947 | T | A | -0.1410 | |
| 948 | S | A | -0.5413 | |
| 949 | T | A | -0.9210 | |
| 950 | N | A | -1.5679 | |
| 951 | P | A | -0.7652 | |
| 952 | S | A | 0.6926 | |
| 953 | V | A | 2.3387 | |
| 954 | F | A | 2.9530 | |
| 955 | W | A | 1.2874 | |
| 956 | T | A | -0.5270 | |
| 957 | E | A | -2.4442 | |
| 958 | R | A | -2.4346 | |
| 959 | V | A | -0.5185 | |
| 960 | I | A | 0.7373 | |
| 961 | S | A | 0.4142 |
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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, -0.2177 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 | -0.2177 | View | CSV | PDB |
| model_4 | -0.3698 | View | CSV | PDB |
| model_6 | -0.3752 | View | CSV | PDB |
| model_3 | -0.4015 | View | CSV | PDB |
| model_8 | -0.4105 | View | CSV | PDB |
| model_0 | -0.4164 | View | CSV | PDB |
| CABS_average | -0.4203 | View | CSV | PDB |
| model_11 | -0.4257 | View | CSV | PDB |
| model_9 | -0.4281 | View | CSV | PDB |
| model_2 | -0.4281 | View | CSV | PDB |
| model_7 | -0.4312 | View | CSV | PDB |
| model_5 | -0.4383 | View | CSV | PDB |
| model_10 | -0.4537 | View | CSV | PDB |
| model_1 | -0.4655 | 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