Project name: C17_A6_GH_A10_EF_GSG
Status: done
Started: 2026-07-21 11:05:03
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGYPTFGEHKQATNLQYGQCGSGVRLDDCGLTEARCKDISSALRVGSGYPTFGEHKQATNLQYGQCGSGELNLRSNELGDVGVHCVLQGLQGSGYPTFGEHKQATNLQYGQCGSGKLSLQNCCLTGAGCGVLSSTLRTGSGYPTFGEHKQATNLQYGQCGSGELHLSDNLLGDAGLQLLCEGLLGSGYPTFGEHKQATNLQYGQCGSGKLQLEYCSLSAASCEPLASVLRAGSGYPTFGEHKQATNLQYGQCGSGELTVSNNDINEAGVRVLCQGLKDGSGYPTFGEHKQATNLQYGQCGSGALKLESCGVTSDNCRDLCGIVASGSGYPTFGEHKQATNLQYGQCGSGELALGSNKLGDVGMAELCPGLLGSGGSNTKPNEAPHPGFTGSGTLWIWECGITAKGCGDLCRVLRAGSGGSNTKPNEAPHPGFTGSGELSLAGNELGDEGARLLCETLLGSGGSNTKPNEAPHPGFTGSGSLWVKSCSFTAACCSHFSSVLAQGSGGSNTKPNEAPHPGFTGSGELQISNNRLEDAGVRELCQGLGGSGGSNTKPNEAPHPGFTGSGVLWLADCDVSDSSCSSLAATLLAGSGGSNTKPNEAPHPGFTGSGELDLSNNCLGDAGILQLVESVRGSGGSNTKPNEAPHPGFTGSGQLVLYDIYWSEEMEDRLQALEKDGSGGSNTKPNEAPHPGFTGSGRVIS
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 (00:10:46)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:31:27)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:31:32)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:31:37)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:31:42)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:31:47)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:31:52)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:31:57)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:32:02)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:32:07)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:32:12)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:32:17)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:32:22)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:32:27)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:32:40)
[INFO] Main: Simulation completed successfully. (02:32:46)
|
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
- -3.833
- Maximal score value
- 2.0691
- Average score
- -0.8057
- Total score value
- -587.3373
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 | 0.8426 | |
| 2 | L | A | 1.7822 | |
| 3 | D | A | 1.3022 | |
| 4 | I | A | 1.6580 | |
| 5 | Q | A | -0.0784 | |
| 6 | S | A | -0.7284 | |
| 7 | L | A | -0.9232 | |
| 8 | D | A | -2.5754 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.7059 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.7342 | |
| 13 | E | A | -3.3697 | |
| 14 | L | A | -2.6138 | |
| 15 | S | A | -2.3087 | |
| 16 | D | A | -2.4716 | |
| 17 | A | A | -1.9892 | |
| 18 | R | A | -2.9205 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5262 | |
| 21 | E | A | -2.2237 | |
| 22 | L | A | -0.9040 | |
| 23 | L | A | -0.1995 | |
| 24 | P | A | 0.1586 | |
| 25 | L | A | 1.0320 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | 0.2468 | |
| 28 | G | A | 0.0690 | |
| 29 | S | A | 0.1245 | |
| 30 | G | A | 0.3223 | |
| 31 | Y | A | 1.2222 | |
| 32 | P | A | 0.8197 | |
| 33 | T | A | 0.7358 | |
| 34 | F | A | 0.9687 | |
| 35 | G | A | -0.8156 | |
| 36 | E | A | -2.5169 | |
| 37 | H | A | 0.0000 | |
| 38 | K | A | -3.4224 | |
| 39 | Q | A | -2.8184 | |
| 40 | A | A | 0.0000 | |
| 41 | T | A | -1.7144 | |
| 42 | N | A | -2.0234 | |
| 43 | L | A | 0.0000 | |
| 44 | Q | A | -1.0784 | |
| 45 | Y | A | 0.0000 | |
| 46 | G | A | 0.3813 | |
| 47 | Q | A | 0.0000 | |
| 48 | C | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | S | A | 0.0150 | |
| 51 | G | A | 0.0000 | |
| 52 | V | A | 0.0000 | |
| 53 | R | A | -2.8436 | |
| 54 | L | A | 0.0000 | |
| 55 | D | A | -3.1236 | |
| 56 | D | A | -3.2491 | |
| 57 | C | A | 0.0000 | |
| 58 | G | A | -2.9127 | |
| 59 | L | A | 0.0000 | |
| 60 | T | A | -1.5702 | |
| 61 | E | A | -1.6014 | |
| 62 | A | A | -1.3806 | |
| 63 | R | A | 0.0000 | |
| 64 | C | A | 0.0000 | |
| 65 | K | A | -2.3761 | |
| 66 | D | A | -1.7025 | |
| 67 | I | A | 0.0000 | |
| 68 | S | A | 0.0000 | |
| 69 | S | A | -0.9520 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | R | A | -1.5727 | |
| 73 | V | A | 0.6424 | |
| 74 | G | A | -0.1212 | |
| 75 | S | A | -0.5363 | |
| 76 | G | A | 0.0914 | |
| 77 | Y | A | 0.5411 | |
| 78 | P | A | 0.4117 | |
| 79 | T | A | 0.1899 | |
| 80 | F | A | 0.0000 | |
| 81 | G | A | -1.3833 | |
| 82 | E | A | -3.0450 | |
| 83 | H | A | 0.0000 | |
| 84 | K | A | -3.7876 | |
| 85 | Q | A | -3.2099 | |
| 86 | A | A | 0.0000 | |
| 87 | T | A | -1.4386 | |
| 88 | N | A | -1.7943 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | -1.5125 | |
| 91 | Y | A | 0.0000 | |
| 92 | G | A | -0.3026 | |
| 93 | Q | A | 0.0000 | |
| 94 | C | A | 0.9483 | |
| 95 | G | A | 0.0000 | |
| 96 | S | A | 0.0608 | |
| 97 | G | A | -0.3267 | |
| 98 | E | A | -1.0547 | |
| 99 | L | A | -0.7365 | |
| 100 | N | A | -1.5202 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -3.5282 | |
| 103 | S | A | 0.0000 | |
| 104 | N | A | -3.3917 | |
| 105 | E | A | -3.2388 | |
| 106 | L | A | -1.6933 | |
| 107 | G | A | -0.9677 | |
| 108 | D | A | -1.1712 | |
| 109 | V | A | 0.5687 | |
| 110 | G | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | H | A | -0.6377 | |
| 113 | C | A | -0.8928 | |
| 114 | V | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | Q | A | -1.9986 | |
| 117 | G | A | 0.0000 | |
| 118 | L | A | -1.0786 | |
| 119 | Q | A | -2.0857 | |
| 120 | G | A | -1.4626 | |
| 121 | S | A | -0.6550 | |
| 122 | G | A | -0.0766 | |
| 123 | Y | A | 1.3914 | |
| 124 | P | A | 0.8836 | |
| 125 | T | A | 0.0000 | |
| 126 | F | A | 0.4703 | |
| 127 | G | A | -0.6766 | |
| 128 | E | A | -1.8511 | |
| 129 | H | A | 0.0000 | |
| 130 | K | A | -3.6320 | |
| 131 | Q | A | -2.8326 | |
| 132 | A | A | 0.0000 | |
| 133 | T | A | -1.3606 | |
| 134 | N | A | -1.2446 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -1.0874 | |
| 137 | Y | A | 0.0000 | |
| 138 | G | A | -0.2210 | |
| 139 | Q | A | 0.0000 | |
| 140 | C | A | 0.5433 | |
| 141 | G | A | 0.0000 | |
| 142 | S | A | -0.2169 | |
| 143 | G | A | -0.5902 | |
| 144 | K | A | -0.9205 | |
| 145 | L | A | -0.3342 | |
| 146 | S | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | Q | A | -2.0302 | |
| 149 | N | A | -2.2597 | |
| 150 | C | A | 0.0000 | |
| 151 | C | A | -1.1307 | |
| 152 | L | A | 0.0000 | |
| 153 | T | A | -0.6124 | |
| 154 | G | A | -0.4957 | |
| 155 | A | A | 0.0000 | |
| 156 | G | A | -0.1339 | |
| 157 | C | A | 0.0000 | |
| 158 | G | A | -0.1587 | |
| 159 | V | A | -0.1047 | |
| 160 | L | A | 0.0000 | |
| 161 | S | A | -0.6954 | |
| 162 | S | A | -1.0662 | |
| 163 | T | A | 0.0000 | |
| 164 | L | A | -1.1416 | |
| 165 | R | A | -2.2235 | |
| 166 | T | A | -1.2821 | |
| 167 | G | A | -0.8805 | |
| 168 | S | A | -0.4425 | |
| 169 | G | A | 0.0000 | |
| 170 | Y | A | 0.3894 | |
| 171 | P | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | F | A | 0.1196 | |
| 174 | G | A | -0.7216 | |
| 175 | E | A | -1.8199 | |
| 176 | H | A | 0.0000 | |
| 177 | K | A | -2.5443 | |
| 178 | Q | A | -2.7046 | |
| 179 | A | A | 0.0000 | |
| 180 | T | A | -1.2002 | |
| 181 | N | A | -1.4746 | |
| 182 | L | A | 0.0000 | |
| 183 | Q | A | -1.1101 | |
| 184 | Y | A | 0.0000 | |
| 185 | G | A | -0.3605 | |
| 186 | Q | A | 0.0000 | |
| 187 | C | A | 0.2869 | |
| 188 | G | A | 0.0211 | |
| 189 | S | A | -0.3362 | |
| 190 | G | A | -0.5721 | |
| 191 | E | A | -0.8314 | |
| 192 | L | A | 0.0000 | |
| 193 | H | A | -0.7253 | |
| 194 | L | A | 0.0000 | |
| 195 | S | A | 0.0000 | |
| 196 | D | A | -1.2709 | |
| 197 | N | A | -1.4143 | |
| 198 | L | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | G | A | -1.4891 | |
| 201 | D | A | -2.2471 | |
| 202 | A | A | -1.0842 | |
| 203 | G | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.8613 | |
| 206 | L | A | -0.6745 | |
| 207 | L | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | E | A | -1.9909 | |
| 210 | G | A | 0.0000 | |
| 211 | L | A | -0.7205 | |
| 212 | L | A | -0.4607 | |
| 213 | G | A | -1.1136 | |
| 214 | S | A | -0.9450 | |
| 215 | G | A | -0.2872 | |
| 216 | Y | A | 0.1761 | |
| 217 | P | A | -0.1599 | |
| 218 | T | A | -0.0897 | |
| 219 | F | A | -0.2309 | |
| 220 | G | A | -0.9199 | |
| 221 | E | A | -1.6007 | |
| 222 | H | A | 0.0000 | |
| 223 | K | A | -2.4496 | |
| 224 | Q | A | -2.0563 | |
| 225 | A | A | 0.0000 | |
| 226 | T | A | -1.1405 | |
| 227 | N | A | -1.5384 | |
| 228 | L | A | 0.0000 | |
| 229 | Q | A | -1.4783 | |
| 230 | Y | A | 0.0000 | |
| 231 | G | A | -0.6092 | |
| 232 | Q | A | -0.2937 | |
| 233 | C | A | 0.1570 | |
| 234 | G | A | 0.0000 | |
| 235 | S | A | -0.4537 | |
| 236 | G | A | -0.8450 | |
| 237 | K | A | -1.1458 | |
| 238 | L | A | 0.0000 | |
| 239 | Q | A | -0.7596 | |
| 240 | L | A | 0.0000 | |
| 241 | E | A | -0.7980 | |
| 242 | Y | A | -0.2266 | |
| 243 | C | A | 0.0000 | |
| 244 | S | A | -1.2934 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -1.5229 | |
| 247 | A | A | -1.2590 | |
| 248 | A | A | -0.9240 | |
| 249 | S | A | 0.0000 | |
| 250 | C | A | 0.0000 | |
| 251 | E | A | -2.3185 | |
| 252 | P | A | -1.8017 | |
| 253 | L | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | S | A | -1.3161 | |
| 256 | V | A | 0.0000 | |
| 257 | L | A | -1.1822 | |
| 258 | R | A | -1.7963 | |
| 259 | A | A | -0.6818 | |
| 260 | G | A | -0.6116 | |
| 261 | S | A | -0.3282 | |
| 262 | G | A | -0.1598 | |
| 263 | Y | A | 0.0000 | |
| 264 | P | A | 0.0000 | |
| 265 | T | A | -0.3544 | |
| 266 | F | A | 0.0000 | |
| 267 | G | A | -1.5639 | |
| 268 | E | A | -2.9340 | |
| 269 | H | A | 0.0000 | |
| 270 | K | A | -2.8937 | |
| 271 | Q | A | -2.2161 | |
| 272 | A | A | 0.0000 | |
| 273 | T | A | -1.3765 | |
| 274 | N | A | -1.5416 | |
| 275 | L | A | 0.0000 | |
| 276 | Q | A | -1.6370 | |
| 277 | Y | A | 0.0000 | |
| 278 | G | A | -0.7283 | |
| 279 | Q | A | 0.0000 | |
| 280 | C | A | 0.2008 | |
| 281 | G | A | 0.0000 | |
| 282 | S | A | -0.4184 | |
| 283 | G | A | -0.7090 | |
| 284 | E | A | -1.0980 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | N | A | 0.0000 | |
| 290 | N | A | -1.9348 | |
| 291 | D | A | -2.1981 | |
| 292 | I | A | 0.0000 | |
| 293 | N | A | -2.1394 | |
| 294 | E | A | -1.8536 | |
| 295 | A | A | -1.2564 | |
| 296 | G | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | R | A | -2.4133 | |
| 299 | V | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | Q | A | -2.1252 | |
| 303 | G | A | 0.0000 | |
| 304 | L | A | -1.8417 | |
| 305 | K | A | -2.8747 | |
| 306 | D | A | -2.9617 | |
| 307 | G | A | -2.0292 | |
| 308 | S | A | -1.3521 | |
| 309 | G | A | -0.2512 | |
| 310 | Y | A | 0.0864 | |
| 311 | P | A | 0.0886 | |
| 312 | T | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | G | A | -1.8868 | |
| 315 | E | A | -3.3104 | |
| 316 | H | A | 0.0000 | |
| 317 | K | A | -3.3502 | |
| 318 | Q | A | -2.8756 | |
| 319 | A | A | 0.0000 | |
| 320 | T | A | -1.1880 | |
| 321 | N | A | -1.1982 | |
| 322 | L | A | 0.0000 | |
| 323 | Q | A | -1.4110 | |
| 324 | Y | A | 0.0000 | |
| 325 | G | A | -0.8017 | |
| 326 | Q | A | 0.0000 | |
| 327 | C | A | 0.0728 | |
| 328 | G | A | -0.0319 | |
| 329 | S | A | -0.3819 | |
| 330 | G | A | -0.6625 | |
| 331 | A | A | 0.0000 | |
| 332 | L | A | -0.4914 | |
| 333 | K | A | -0.8281 | |
| 334 | L | A | -0.5634 | |
| 335 | E | A | -1.6083 | |
| 336 | S | A | -1.7330 | |
| 337 | C | A | 0.0000 | |
| 338 | G | A | -1.5644 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | -1.0938 | |
| 341 | S | A | -1.2801 | |
| 342 | D | A | -2.6772 | |
| 343 | N | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | R | A | -2.9097 | |
| 346 | D | A | -2.1149 | |
| 347 | L | A | 0.0000 | |
| 348 | C | A | -1.1677 | |
| 349 | G | A | -0.9855 | |
| 350 | I | A | -1.0897 | |
| 351 | V | A | 0.0000 | |
| 352 | A | A | -0.3321 | |
| 353 | S | A | -0.7353 | |
| 354 | G | A | -0.5689 | |
| 355 | S | A | -0.2720 | |
| 356 | G | A | -0.4504 | |
| 357 | Y | A | 0.0000 | |
| 358 | P | A | -0.3596 | |
| 359 | T | A | -0.2687 | |
| 360 | F | A | -0.2121 | |
| 361 | G | A | -1.2818 | |
| 362 | E | A | -2.7616 | |
| 363 | H | A | -2.9811 | |
| 364 | K | A | -3.3592 | |
| 365 | Q | A | -3.1796 | |
| 366 | A | A | -2.4601 | |
| 367 | T | A | -1.4739 | |
| 368 | N | A | -1.5320 | |
| 369 | L | A | 0.0000 | |
| 370 | Q | A | -1.5110 | |
| 371 | Y | A | 0.0000 | |
| 372 | G | A | -0.8234 | |
| 373 | Q | A | -0.3386 | |
| 374 | C | A | -0.0677 | |
| 375 | G | A | 0.0000 | |
| 376 | S | A | -0.4410 | |
| 377 | G | A | 0.0000 | |
| 378 | E | A | -0.9105 | |
| 379 | L | A | 0.0000 | |
| 380 | A | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | G | A | -1.3925 | |
| 383 | S | A | -2.2527 | |
| 384 | N | A | -2.9841 | |
| 385 | K | A | -2.9813 | |
| 386 | L | A | 0.0000 | |
| 387 | G | A | -0.3661 | |
| 388 | D | A | -0.2586 | |
| 389 | V | A | 0.9647 | |
| 390 | G | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | A | A | -0.5719 | |
| 393 | E | A | -1.1668 | |
| 394 | L | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | P | A | -0.8369 | |
| 397 | G | A | -0.5604 | |
| 398 | L | A | 0.0000 | |
| 399 | L | A | -0.4412 | |
| 400 | G | A | -0.8003 | |
| 401 | S | A | -0.7042 | |
| 402 | G | A | 0.0000 | |
| 403 | G | A | -0.6637 | |
| 404 | S | A | -0.6338 | |
| 405 | N | A | -0.6877 | |
| 406 | T | A | -0.9451 | |
| 407 | K | A | -1.3025 | |
| 408 | P | A | -1.3078 | |
| 409 | N | A | -1.8226 | |
| 410 | E | A | -1.2992 | |
| 411 | A | A | -0.8850 | |
| 412 | P | A | -0.7178 | |
| 413 | H | A | -0.6006 | |
| 414 | P | A | -0.4603 | |
| 415 | G | A | -0.3283 | |
| 416 | F | A | 0.0000 | |
| 417 | T | A | -0.2863 | |
| 418 | G | A | -0.4284 | |
| 419 | S | A | -0.6543 | |
| 420 | G | A | 0.0000 | |
| 421 | T | A | -0.5001 | |
| 422 | L | A | 0.0000 | |
| 423 | W | A | 0.7829 | |
| 424 | I | A | 0.0000 | |
| 425 | W | A | 0.0000 | |
| 426 | E | A | -3.1965 | |
| 427 | C | A | 0.0000 | |
| 428 | G | A | -2.2561 | |
| 429 | I | A | 0.0000 | |
| 430 | T | A | -1.4884 | |
| 431 | A | A | -1.9382 | |
| 432 | K | A | -1.7807 | |
| 433 | G | A | 0.0000 | |
| 434 | C | A | 0.0000 | |
| 435 | G | A | -1.6367 | |
| 436 | D | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | C | A | 0.0000 | |
| 439 | R | A | -1.4734 | |
| 440 | V | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | R | A | 0.0000 | |
| 443 | A | A | -0.9212 | |
| 444 | G | A | -1.0650 | |
| 445 | S | A | -0.8909 | |
| 446 | G | A | -0.8827 | |
| 447 | G | A | -1.2064 | |
| 448 | S | A | -1.0955 | |
| 449 | N | A | -0.8841 | |
| 450 | T | A | -0.8688 | |
| 451 | K | A | -1.1968 | |
| 452 | P | A | -1.3143 | |
| 453 | N | A | -2.1720 | |
| 454 | E | A | 0.0000 | |
| 455 | A | A | -1.0600 | |
| 456 | P | A | 0.0000 | |
| 457 | H | A | 0.0000 | |
| 458 | P | A | -0.2202 | |
| 459 | G | A | 0.0000 | |
| 460 | F | A | 0.0000 | |
| 461 | T | A | -0.4366 | |
| 462 | G | A | -0.6154 | |
| 463 | S | A | -0.7413 | |
| 464 | G | A | 0.0000 | |
| 465 | E | A | -0.9001 | |
| 466 | L | A | 0.0000 | |
| 467 | S | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | A | A | 0.0000 | |
| 470 | G | A | 0.0000 | |
| 471 | N | A | -3.1291 | |
| 472 | E | A | -3.0014 | |
| 473 | L | A | 0.0000 | |
| 474 | G | A | -2.4087 | |
| 475 | D | A | -2.4162 | |
| 476 | E | A | -2.9281 | |
| 477 | G | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | R | A | -2.6420 | |
| 480 | L | A | -1.8748 | |
| 481 | L | A | 0.0000 | |
| 482 | C | A | 0.0000 | |
| 483 | E | A | -1.8639 | |
| 484 | T | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | L | A | 0.1676 | |
| 487 | G | A | -0.4314 | |
| 488 | S | A | -0.5788 | |
| 489 | G | A | -0.5964 | |
| 490 | G | A | -1.1780 | |
| 491 | S | A | -1.6132 | |
| 492 | N | A | -2.2558 | |
| 493 | T | A | -2.0254 | |
| 494 | K | A | -2.8641 | |
| 495 | P | A | -2.0606 | |
| 496 | N | A | 0.0000 | |
| 497 | E | A | -2.5355 | |
| 498 | A | A | 0.0000 | |
| 499 | P | A | 0.0000 | |
| 500 | H | A | 0.0000 | |
| 501 | P | A | 0.0000 | |
| 502 | G | A | 0.0000 | |
| 503 | F | A | 0.0000 | |
| 504 | T | A | 0.0000 | |
| 505 | G | A | -0.5693 | |
| 506 | S | A | -0.7002 | |
| 507 | G | A | 0.0000 | |
| 508 | S | A | -0.6076 | |
| 509 | L | A | 0.0000 | |
| 510 | W | A | -0.0749 | |
| 511 | V | A | 0.0000 | |
| 512 | K | A | -1.3679 | |
| 513 | S | A | -2.2642 | |
| 514 | C | A | 0.0000 | |
| 515 | S | A | -2.1752 | |
| 516 | F | A | 0.0000 | |
| 517 | T | A | -1.0841 | |
| 518 | A | A | -1.1578 | |
| 519 | A | A | -0.5201 | |
| 520 | C | A | 0.0000 | |
| 521 | C | A | 0.0000 | |
| 522 | S | A | -0.9987 | |
| 523 | H | A | -1.0810 | |
| 524 | F | A | 0.0000 | |
| 525 | S | A | -0.8947 | |
| 526 | S | A | -0.5578 | |
| 527 | V | A | 0.0000 | |
| 528 | L | A | -0.2393 | |
| 529 | A | A | -0.3321 | |
| 530 | Q | A | -0.2190 | |
| 531 | G | A | 0.0000 | |
| 532 | S | A | -0.3579 | |
| 533 | G | A | -0.6023 | |
| 534 | G | A | -1.1624 | |
| 535 | S | A | -1.4966 | |
| 536 | N | A | -2.2696 | |
| 537 | T | A | -2.0080 | |
| 538 | K | A | -2.8350 | |
| 539 | P | A | -2.0687 | |
| 540 | N | A | -2.5407 | |
| 541 | E | A | -2.3276 | |
| 542 | A | A | -1.2781 | |
| 543 | P | A | -1.2988 | |
| 544 | H | A | -0.7165 | |
| 545 | P | A | -0.8014 | |
| 546 | G | A | 0.0000 | |
| 547 | F | A | 0.0000 | |
| 548 | T | A | -0.5913 | |
| 549 | G | A | -0.6987 | |
| 550 | S | A | -0.6249 | |
| 551 | G | A | 0.0000 | |
| 552 | E | A | -0.9427 | |
| 553 | L | A | -0.1230 | |
| 554 | Q | A | -0.1032 | |
| 555 | I | A | 0.0000 | |
| 556 | S | A | -1.3460 | |
| 557 | N | A | -2.3454 | |
| 558 | N | A | -2.7257 | |
| 559 | R | A | -3.0740 | |
| 560 | L | A | 0.0000 | |
| 561 | E | A | -2.6727 | |
| 562 | D | A | -2.2299 | |
| 563 | A | A | -1.3637 | |
| 564 | G | A | 0.0000 | |
| 565 | V | A | 0.0000 | |
| 566 | R | A | -2.2557 | |
| 567 | E | A | -2.0040 | |
| 568 | L | A | 0.0000 | |
| 569 | C | A | 0.0000 | |
| 570 | Q | A | -1.8356 | |
| 571 | G | A | 0.0000 | |
| 572 | L | A | -0.6502 | |
| 573 | G | A | -0.7106 | |
| 574 | G | A | -0.6606 | |
| 575 | S | A | -0.7128 | |
| 576 | G | A | -1.0296 | |
| 577 | G | A | 0.0000 | |
| 578 | S | A | -1.0953 | |
| 579 | N | A | -1.9453 | |
| 580 | T | A | -1.7154 | |
| 581 | K | A | -1.8804 | |
| 582 | P | A | -1.8939 | |
| 583 | N | A | -2.5703 | |
| 584 | E | A | -2.0782 | |
| 585 | A | A | -1.2286 | |
| 586 | P | A | -1.1111 | |
| 587 | H | A | -0.9771 | |
| 588 | P | A | -0.6100 | |
| 589 | G | A | -0.4601 | |
| 590 | F | A | 0.0000 | |
| 591 | T | A | -0.3944 | |
| 592 | G | A | -0.4896 | |
| 593 | S | A | -0.7492 | |
| 594 | G | A | 0.0000 | |
| 595 | V | A | 0.0000 | |
| 596 | L | A | 0.0000 | |
| 597 | W | A | -0.1858 | |
| 598 | L | A | -0.4712 | |
| 599 | A | A | -1.3766 | |
| 600 | D | A | -2.8057 | |
| 601 | C | A | 0.0000 | |
| 602 | D | A | -2.2656 | |
| 603 | V | A | 0.0000 | |
| 604 | S | A | -1.7284 | |
| 605 | D | A | -2.1833 | |
| 606 | S | A | -1.4242 | |
| 607 | S | A | 0.0000 | |
| 608 | C | A | 0.0000 | |
| 609 | S | A | -0.8382 | |
| 610 | S | A | -1.0548 | |
| 611 | L | A | 0.0000 | |
| 612 | A | A | 0.0000 | |
| 613 | A | A | -0.4799 | |
| 614 | T | A | -0.4149 | |
| 615 | L | A | 0.0000 | |
| 616 | L | A | 0.0000 | |
| 617 | A | A | -0.7892 | |
| 618 | G | A | -1.1459 | |
| 619 | S | A | -1.1080 | |
| 620 | G | A | -1.4341 | |
| 621 | G | A | -1.2490 | |
| 622 | S | A | -1.7385 | |
| 623 | N | A | -2.0574 | |
| 624 | T | A | -1.8740 | |
| 625 | K | A | -2.5196 | |
| 626 | P | A | -2.1154 | |
| 627 | N | A | -2.7796 | |
| 628 | E | A | -3.2981 | |
| 629 | A | A | 0.0000 | |
| 630 | P | A | -1.3531 | |
| 631 | H | A | 0.0000 | |
| 632 | P | A | -0.4779 | |
| 633 | G | A | -0.3575 | |
| 634 | F | A | -0.2021 | |
| 635 | T | A | -0.2141 | |
| 636 | G | A | -0.5418 | |
| 637 | S | A | -0.6990 | |
| 638 | G | A | 0.0000 | |
| 639 | E | A | -1.4713 | |
| 640 | L | A | 0.0000 | |
| 641 | D | A | -0.2007 | |
| 642 | L | A | 0.0000 | |
| 643 | S | A | -0.0868 | |
| 644 | N | A | 0.0000 | |
| 645 | N | A | -0.9590 | |
| 646 | C | A | -0.4095 | |
| 647 | L | A | 0.0000 | |
| 648 | G | A | -0.3164 | |
| 649 | D | A | -0.9205 | |
| 650 | A | A | -0.8826 | |
| 651 | G | A | 0.0000 | |
| 652 | I | A | 0.0000 | |
| 653 | L | A | -0.9884 | |
| 654 | Q | A | -1.6383 | |
| 655 | L | A | 0.0000 | |
| 656 | V | A | 0.0000 | |
| 657 | E | A | -2.6744 | |
| 658 | S | A | -1.7750 | |
| 659 | V | A | 0.0000 | |
| 660 | R | A | -2.8642 | |
| 661 | G | A | -1.7599 | |
| 662 | S | A | -1.4247 | |
| 663 | G | A | -1.1610 | |
| 664 | G | A | -0.9404 | |
| 665 | S | A | -1.1934 | |
| 666 | N | A | -1.7443 | |
| 667 | T | A | -1.6996 | |
| 668 | K | A | 0.0000 | |
| 669 | P | A | -1.7717 | |
| 670 | N | A | -2.5310 | |
| 671 | E | A | 0.0000 | |
| 672 | A | A | 0.0000 | |
| 673 | P | A | 0.0000 | |
| 674 | H | A | -0.7073 | |
| 675 | P | A | -0.5116 | |
| 676 | G | A | 0.0000 | |
| 677 | F | A | 0.0000 | |
| 678 | T | A | -0.2266 | |
| 679 | G | A | -0.3781 | |
| 680 | S | A | -0.7127 | |
| 681 | G | A | 0.0000 | |
| 682 | Q | A | -0.7759 | |
| 683 | L | A | 0.0000 | |
| 684 | V | A | 0.3420 | |
| 685 | L | A | 0.0000 | |
| 686 | Y | A | 1.7913 | |
| 687 | D | A | 0.0000 | |
| 688 | I | A | 2.0691 | |
| 689 | Y | A | 1.6578 | |
| 690 | W | A | 0.3572 | |
| 691 | S | A | -1.2734 | |
| 692 | E | A | -3.1266 | |
| 693 | E | A | -2.9668 | |
| 694 | M | A | 0.0000 | |
| 695 | E | A | -3.2599 | |
| 696 | D | A | -3.8330 | |
| 697 | R | A | -3.1405 | |
| 698 | L | A | 0.0000 | |
| 699 | Q | A | -3.1652 | |
| 700 | A | A | -2.6314 | |
| 701 | L | A | 0.0000 | |
| 702 | E | A | -2.9610 | |
| 703 | K | A | -3.2261 | |
| 704 | D | A | -2.8638 | |
| 705 | G | A | 0.0000 | |
| 706 | S | A | -1.7987 | |
| 707 | G | A | -1.3647 | |
| 708 | G | A | -1.4002 | |
| 709 | S | A | -0.9882 | |
| 710 | N | A | -0.9698 | |
| 711 | T | A | -1.0529 | |
| 712 | K | A | -1.7165 | |
| 713 | P | A | -1.4586 | |
| 714 | N | A | -1.3683 | |
| 715 | E | A | 0.0000 | |
| 716 | A | A | -1.2844 | |
| 717 | P | A | -1.2922 | |
| 718 | H | A | 0.0000 | |
| 719 | P | A | 0.0000 | |
| 720 | G | A | 0.0000 | |
| 721 | F | A | 0.0000 | |
| 722 | T | A | -0.6180 | |
| 723 | G | A | -0.8043 | |
| 724 | S | A | -1.1543 | |
| 725 | G | A | 0.0000 | |
| 726 | R | A | -1.5373 | |
| 727 | V | A | 0.0000 | |
| 728 | I | A | -0.0832 | |
| 729 | S | A | 0.1465 |
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, -0.8057 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_3 | -0.8057 | View | CSV | PDB |
| model_4 | -0.8423 | View | CSV | PDB |
| model_2 | -0.8515 | View | CSV | PDB |
| model_7 | -0.8555 | View | CSV | PDB |
| model_1 | -0.8584 | View | CSV | PDB |
| model_10 | -0.859 | View | CSV | PDB |
| CABS_average | -0.8641 | View | CSV | PDB |
| model_9 | -0.8755 | View | CSV | PDB |
| model_8 | -0.8785 | View | CSV | PDB |
| model_6 | -0.8804 | View | CSV | PDB |
| model_5 | -0.8855 | View | CSV | PDB |
| model_0 | -0.8861 | View | CSV | PDB |
| model_11 | -0.8911 | View | CSV | PDB |
| input | -0.9293 | 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