Project name: C36_A6_EF_GSG
Status: done
Started: 2026-07-21 11:08:47
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGSPATKPNGQGLYPDFAGSGVRLDDCGLTEARCKDISSALRVGSGSPATKPNGQGLYPDFAGSGELNLRSNELGDVGVHCVLQGLQGSGSPATKPNGQGLYPDFAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGSPATKPNGQGLYPDFAGSGELHLSDNLLGDAGLQLLCEGLLGSGSPATKPNGQGLYPDFAGSGKLQLEYCSLSAASCEPLASVLRAGSGSPATKPNGQGLYPDFAGSGELTVSNNDINEAGVRVLCQGLKDGSGSPATKPNGQGLYPDFAGSGALKLESCGVTSDNCRDLCGIVASGSGSPATKPNGQGLYPDFAGSGELALGSNKLGDVGMAELCPGLLGSGSPATKPNGQGLYPDFAGSGTLWIWECGITAKGCGDLCRVLRAGSGSPATKPNGQGLYPDFAGSGELSLAGNELGDEGARLLCETLLGSGSPATKPNGQGLYPDFAGSGSLWVKSCSFTAACCSHFSSVLAQGSGSPATKPNGQGLYPDFAGSGELQISNNRLEDAGVRELCQGLGGSGSPATKPNGQGLYPDFAGSGVLWLADCDVSDSSCSSLAATLLAGSGSPATKPNGQGLYPDFAGSGELDLSNNCLGDAGILQLVESVRGSGSPATKPNGQGLYPDFAGSGQLVLYDIYWSEEMEDRLQALEKDGSGSPATKPNGQGLYPDFAGSGRVIS
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 (02:34:43)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:34:48)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:34:53)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:34:57)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:35:02)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:35:07)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:35:11)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:35:16)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:35:21)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:35:25)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:35:30)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:35:34)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:35:39)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:35:51)
[INFO] Main: Simulation completed successfully. (02:35:56)
|
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
- -3.8692
- Maximal score value
- 2.3986
- Average score
- -0.6953
- Total score value
- -501.2805
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 | 0.8443 | |
| 2 | L | A | 2.0353 | |
| 3 | D | A | 0.0000 | |
| 4 | I | A | 2.3986 | |
| 5 | Q | A | 1.1091 | |
| 6 | S | A | -0.1553 | |
| 7 | L | A | -1.0347 | |
| 8 | D | A | -2.6056 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -3.2276 | |
| 11 | C | A | -3.1861 | |
| 12 | E | A | -3.4222 | |
| 13 | E | A | -3.4450 | |
| 14 | L | A | -2.3519 | |
| 15 | S | A | -2.3613 | |
| 16 | D | A | -2.5775 | |
| 17 | A | A | -1.8393 | |
| 18 | R | A | -2.3209 | |
| 19 | W | A | -1.7781 | |
| 20 | A | A | -1.2619 | |
| 21 | E | A | -1.8613 | |
| 22 | L | A | -0.5719 | |
| 23 | L | A | -0.3629 | |
| 24 | P | A | -0.2436 | |
| 25 | L | A | 0.8171 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.7611 | |
| 28 | G | A | -0.2864 | |
| 29 | S | A | 0.0625 | |
| 30 | G | A | 0.0141 | |
| 31 | S | A | -0.0533 | |
| 32 | P | A | -0.1871 | |
| 33 | A | A | -0.3563 | |
| 34 | T | A | -0.5441 | |
| 35 | K | A | -1.4443 | |
| 36 | P | A | -1.8691 | |
| 37 | N | A | -1.9590 | |
| 38 | G | A | -1.7433 | |
| 39 | Q | A | -1.0291 | |
| 40 | G | A | 0.0742 | |
| 41 | L | A | 0.7862 | |
| 42 | Y | A | 0.1490 | |
| 43 | P | A | 0.1135 | |
| 44 | D | A | 0.0278 | |
| 45 | F | A | 1.6894 | |
| 46 | A | A | 0.0000 | |
| 47 | G | A | 0.8781 | |
| 48 | S | A | 0.0000 | |
| 49 | G | A | -0.5392 | |
| 50 | V | A | 0.0000 | |
| 51 | R | A | -2.5920 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -2.7741 | |
| 54 | D | A | -3.0454 | |
| 55 | C | A | -2.8437 | |
| 56 | G | A | -2.3831 | |
| 57 | L | A | 0.0000 | |
| 58 | T | A | -2.2032 | |
| 59 | E | A | -2.7153 | |
| 60 | A | A | -1.7756 | |
| 61 | R | A | -2.2955 | |
| 62 | C | A | 0.0000 | |
| 63 | K | A | -2.7895 | |
| 64 | D | A | -2.4945 | |
| 65 | I | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | S | A | -1.6314 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | R | A | -2.0440 | |
| 71 | V | A | -0.3264 | |
| 72 | G | A | 0.0000 | |
| 73 | S | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | S | A | 0.0250 | |
| 76 | P | A | 0.0000 | |
| 77 | A | A | -0.3649 | |
| 78 | T | A | 0.0000 | |
| 79 | K | A | -1.8052 | |
| 80 | P | A | 0.0000 | |
| 81 | N | A | -2.4836 | |
| 82 | G | A | -1.9620 | |
| 83 | Q | A | -2.3447 | |
| 84 | G | A | -1.6663 | |
| 85 | L | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | P | A | 0.0000 | |
| 88 | D | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | S | A | -0.0507 | |
| 93 | G | A | 0.0000 | |
| 94 | E | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | N | A | -1.3050 | |
| 97 | L | A | 0.0000 | |
| 98 | R | A | -2.2261 | |
| 99 | S | A | 0.0000 | |
| 100 | N | A | -2.7257 | |
| 101 | E | A | -3.0750 | |
| 102 | L | A | 0.0000 | |
| 103 | G | A | -1.2708 | |
| 104 | D | A | -0.6890 | |
| 105 | V | A | 0.2567 | |
| 106 | G | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | H | A | -0.7117 | |
| 109 | C | A | -1.0961 | |
| 110 | V | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | Q | A | -1.7550 | |
| 113 | G | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | Q | A | -1.8910 | |
| 116 | G | A | -1.6046 | |
| 117 | S | A | 0.0000 | |
| 118 | G | A | -0.8627 | |
| 119 | S | A | -0.4319 | |
| 120 | P | A | -0.2944 | |
| 121 | A | A | -0.2185 | |
| 122 | T | A | -0.3927 | |
| 123 | K | A | -0.9495 | |
| 124 | P | A | -0.9693 | |
| 125 | N | A | -1.1549 | |
| 126 | G | A | -1.1183 | |
| 127 | Q | A | -1.2492 | |
| 128 | G | A | -0.3864 | |
| 129 | L | A | 0.5819 | |
| 130 | Y | A | 0.0000 | |
| 131 | P | A | 0.0000 | |
| 132 | D | A | 0.0000 | |
| 133 | F | A | 0.5549 | |
| 134 | A | A | 0.2102 | |
| 135 | G | A | -0.0219 | |
| 136 | S | A | -0.4765 | |
| 137 | G | A | -0.5941 | |
| 138 | K | A | -0.8899 | |
| 139 | L | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.3512 | |
| 143 | N | A | -1.8495 | |
| 144 | C | A | 0.0000 | |
| 145 | C | A | -0.6480 | |
| 146 | L | A | 0.0000 | |
| 147 | T | A | -0.1272 | |
| 148 | G | A | -0.4857 | |
| 149 | A | A | -0.1858 | |
| 150 | G | A | 0.0000 | |
| 151 | C | A | 0.0000 | |
| 152 | G | A | -0.3728 | |
| 153 | V | A | -0.4690 | |
| 154 | L | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | S | A | -0.9983 | |
| 157 | T | A | 0.0000 | |
| 158 | L | A | -1.1081 | |
| 159 | R | A | -2.1177 | |
| 160 | T | A | -1.2858 | |
| 161 | G | A | -1.0797 | |
| 162 | S | A | -0.9920 | |
| 163 | G | A | -0.6950 | |
| 164 | S | A | 0.0000 | |
| 165 | P | A | -0.1526 | |
| 166 | A | A | 0.0000 | |
| 167 | T | A | -0.3247 | |
| 168 | K | A | 0.0000 | |
| 169 | P | A | -1.0394 | |
| 170 | N | A | -1.0744 | |
| 171 | G | A | -1.0352 | |
| 172 | Q | A | 0.0000 | |
| 173 | G | A | 0.4218 | |
| 174 | L | A | 1.7489 | |
| 175 | Y | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | D | A | 0.0000 | |
| 178 | F | A | 0.4613 | |
| 179 | A | A | 0.2125 | |
| 180 | G | A | -0.1513 | |
| 181 | S | A | -0.5922 | |
| 182 | G | A | -0.7671 | |
| 183 | E | A | -1.0807 | |
| 184 | L | A | 0.0000 | |
| 185 | H | A | -0.8693 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | D | A | -0.9292 | |
| 189 | N | A | -0.2785 | |
| 190 | L | A | 1.0845 | |
| 191 | L | A | 0.0000 | |
| 192 | G | A | -0.9582 | |
| 193 | D | A | -2.2589 | |
| 194 | A | A | -1.2565 | |
| 195 | G | A | -1.0444 | |
| 196 | L | A | 0.0000 | |
| 197 | Q | A | -1.9903 | |
| 198 | L | A | -0.8303 | |
| 199 | L | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | E | A | -1.7856 | |
| 202 | G | A | 0.0000 | |
| 203 | L | A | -0.3834 | |
| 204 | L | A | -0.1341 | |
| 205 | G | A | -0.7412 | |
| 206 | S | A | -0.7327 | |
| 207 | G | A | -0.3524 | |
| 208 | S | A | -0.4351 | |
| 209 | P | A | -0.5849 | |
| 210 | A | A | -0.8334 | |
| 211 | T | A | 0.0000 | |
| 212 | K | A | -2.4683 | |
| 213 | P | A | -1.8796 | |
| 214 | N | A | 0.0000 | |
| 215 | G | A | -1.1774 | |
| 216 | Q | A | -0.7978 | |
| 217 | G | A | 0.3757 | |
| 218 | L | A | 1.6086 | |
| 219 | Y | A | 0.0000 | |
| 220 | P | A | -0.1297 | |
| 221 | D | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | G | A | -0.2649 | |
| 225 | S | A | -0.6178 | |
| 226 | G | A | -0.9742 | |
| 227 | K | A | -1.3123 | |
| 228 | L | A | 0.0000 | |
| 229 | Q | A | -0.8795 | |
| 230 | L | A | 0.0000 | |
| 231 | E | A | -0.9345 | |
| 232 | Y | A | -0.3450 | |
| 233 | C | A | -0.0244 | |
| 234 | S | A | -0.4741 | |
| 235 | L | A | -0.6418 | |
| 236 | S | A | -1.3053 | |
| 237 | A | A | -1.1176 | |
| 238 | A | A | -1.1192 | |
| 239 | S | A | 0.0000 | |
| 240 | C | A | 0.0000 | |
| 241 | E | A | -2.2519 | |
| 242 | P | A | -1.6040 | |
| 243 | L | A | 0.0000 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | -1.3193 | |
| 246 | V | A | 0.0000 | |
| 247 | L | A | -0.8774 | |
| 248 | R | A | -2.2916 | |
| 249 | A | A | -0.9764 | |
| 250 | G | A | -0.8341 | |
| 251 | S | A | -1.2184 | |
| 252 | G | A | -0.7732 | |
| 253 | S | A | -0.0750 | |
| 254 | P | A | -0.1085 | |
| 255 | A | A | -0.2938 | |
| 256 | T | A | -1.2654 | |
| 257 | K | A | -2.5812 | |
| 258 | P | A | -2.0090 | |
| 259 | N | A | -1.3721 | |
| 260 | G | A | -0.9745 | |
| 261 | Q | A | -0.6044 | |
| 262 | G | A | -0.3182 | |
| 263 | L | A | 0.3967 | |
| 264 | Y | A | 0.2324 | |
| 265 | P | A | 0.1921 | |
| 266 | D | A | 0.0000 | |
| 267 | F | A | 0.8449 | |
| 268 | A | A | 0.4596 | |
| 269 | G | A | -0.1270 | |
| 270 | S | A | -0.6835 | |
| 271 | G | A | -0.8304 | |
| 272 | E | A | -0.9614 | |
| 273 | L | A | -0.3933 | |
| 274 | T | A | -0.6737 | |
| 275 | V | A | 0.0000 | |
| 276 | S | A | -1.2824 | |
| 277 | N | A | 0.0000 | |
| 278 | N | A | -2.2082 | |
| 279 | D | A | -2.1759 | |
| 280 | I | A | 0.0000 | |
| 281 | N | A | -1.9687 | |
| 282 | E | A | -1.3325 | |
| 283 | A | A | -0.9423 | |
| 284 | G | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | R | A | -2.0053 | |
| 287 | V | A | -1.1833 | |
| 288 | L | A | -1.2586 | |
| 289 | C | A | 0.0000 | |
| 290 | Q | A | -2.4636 | |
| 291 | G | A | -2.1492 | |
| 292 | L | A | -1.6550 | |
| 293 | K | A | -2.4918 | |
| 294 | D | A | -2.3226 | |
| 295 | G | A | -2.0557 | |
| 296 | S | A | -1.3999 | |
| 297 | G | A | -0.8375 | |
| 298 | S | A | -0.2741 | |
| 299 | P | A | -0.4438 | |
| 300 | A | A | -0.2349 | |
| 301 | T | A | -0.5371 | |
| 302 | K | A | -1.2632 | |
| 303 | P | A | -1.6153 | |
| 304 | N | A | -2.4537 | |
| 305 | G | A | -1.8262 | |
| 306 | Q | A | -0.9456 | |
| 307 | G | A | 0.1374 | |
| 308 | L | A | 1.7516 | |
| 309 | Y | A | 0.0000 | |
| 310 | P | A | 1.0418 | |
| 311 | D | A | 0.0000 | |
| 312 | F | A | 1.7399 | |
| 313 | A | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | S | A | -0.4349 | |
| 316 | G | A | -0.6519 | |
| 317 | A | A | 0.0000 | |
| 318 | L | A | -0.3476 | |
| 319 | K | A | -0.6262 | |
| 320 | L | A | 0.0000 | |
| 321 | E | A | -2.1314 | |
| 322 | S | A | -1.9586 | |
| 323 | C | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | V | A | -1.2499 | |
| 326 | T | A | -0.8794 | |
| 327 | S | A | -0.8642 | |
| 328 | D | A | -1.7513 | |
| 329 | N | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | R | A | -2.3004 | |
| 332 | D | A | 0.0000 | |
| 333 | L | A | -0.7929 | |
| 334 | C | A | -0.6989 | |
| 335 | G | A | -0.9812 | |
| 336 | I | A | 0.0000 | |
| 337 | V | A | 0.0864 | |
| 338 | A | A | -0.2606 | |
| 339 | S | A | -0.7229 | |
| 340 | G | A | -0.5504 | |
| 341 | S | A | -0.4070 | |
| 342 | G | A | -0.3353 | |
| 343 | S | A | 0.1741 | |
| 344 | P | A | 0.0000 | |
| 345 | A | A | -0.2218 | |
| 346 | T | A | -1.4289 | |
| 347 | K | A | -2.0735 | |
| 348 | P | A | -1.5754 | |
| 349 | N | A | -2.0190 | |
| 350 | G | A | -1.7668 | |
| 351 | Q | A | 0.0000 | |
| 352 | G | A | -0.3499 | |
| 353 | L | A | 0.9945 | |
| 354 | Y | A | 0.0000 | |
| 355 | P | A | 0.6881 | |
| 356 | D | A | 0.0000 | |
| 357 | F | A | 1.7197 | |
| 358 | A | A | 0.0000 | |
| 359 | G | A | 0.2204 | |
| 360 | S | A | -0.3785 | |
| 361 | G | A | -0.5986 | |
| 362 | E | A | -0.5710 | |
| 363 | L | A | 0.0334 | |
| 364 | A | A | -0.1295 | |
| 365 | L | A | 0.0000 | |
| 366 | G | A | -1.5699 | |
| 367 | S | A | 0.0000 | |
| 368 | N | A | -2.7607 | |
| 369 | K | A | -2.8996 | |
| 370 | L | A | 0.0000 | |
| 371 | G | A | -0.7749 | |
| 372 | D | A | -0.7578 | |
| 373 | V | A | 0.5561 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | -0.5705 | |
| 377 | E | A | -1.1650 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | P | A | -0.7434 | |
| 381 | G | A | -0.3019 | |
| 382 | L | A | -0.0158 | |
| 383 | L | A | -0.5249 | |
| 384 | G | A | -0.4560 | |
| 385 | S | A | -0.4883 | |
| 386 | G | A | -0.6488 | |
| 387 | S | A | -0.3013 | |
| 388 | P | A | -0.1365 | |
| 389 | A | A | 0.0488 | |
| 390 | T | A | -0.3500 | |
| 391 | K | A | -0.6901 | |
| 392 | P | A | 0.0000 | |
| 393 | N | A | -1.7987 | |
| 394 | G | A | -1.1040 | |
| 395 | Q | A | -0.3810 | |
| 396 | G | A | -0.4313 | |
| 397 | L | A | 0.2489 | |
| 398 | Y | A | 0.0000 | |
| 399 | P | A | -0.1924 | |
| 400 | D | A | 0.0000 | |
| 401 | F | A | 0.0000 | |
| 402 | A | A | -0.0442 | |
| 403 | G | A | -0.1845 | |
| 404 | S | A | -0.5606 | |
| 405 | G | A | -0.7034 | |
| 406 | T | A | -0.3674 | |
| 407 | L | A | 0.0000 | |
| 408 | W | A | 0.5056 | |
| 409 | I | A | 0.0000 | |
| 410 | W | A | -1.2557 | |
| 411 | E | A | -2.9809 | |
| 412 | C | A | 0.0000 | |
| 413 | G | A | -1.8048 | |
| 414 | I | A | -1.3452 | |
| 415 | T | A | -1.4167 | |
| 416 | A | A | -1.7550 | |
| 417 | K | A | -1.7558 | |
| 418 | G | A | 0.0000 | |
| 419 | C | A | 0.0000 | |
| 420 | G | A | -1.5057 | |
| 421 | D | A | -1.5792 | |
| 422 | L | A | 0.0000 | |
| 423 | C | A | 0.0000 | |
| 424 | R | A | -2.1935 | |
| 425 | V | A | -1.1279 | |
| 426 | L | A | -1.0916 | |
| 427 | R | A | -2.2947 | |
| 428 | A | A | -1.4473 | |
| 429 | G | A | -1.2224 | |
| 430 | S | A | -0.8019 | |
| 431 | G | A | -0.7084 | |
| 432 | S | A | -0.3174 | |
| 433 | P | A | 0.0000 | |
| 434 | A | A | -0.6216 | |
| 435 | T | A | 0.0000 | |
| 436 | K | A | 0.0000 | |
| 437 | P | A | -1.1103 | |
| 438 | N | A | -1.1992 | |
| 439 | G | A | -0.5654 | |
| 440 | Q | A | -0.5818 | |
| 441 | G | A | -0.3388 | |
| 442 | L | A | 0.1557 | |
| 443 | Y | A | -0.1359 | |
| 444 | P | A | -0.1803 | |
| 445 | D | A | -1.0847 | |
| 446 | F | A | 0.0000 | |
| 447 | A | A | -0.4198 | |
| 448 | G | A | 0.0000 | |
| 449 | S | A | -0.5220 | |
| 450 | G | A | -0.6272 | |
| 451 | E | A | -0.6933 | |
| 452 | L | A | 0.0531 | |
| 453 | S | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | A | A | 0.0000 | |
| 456 | G | A | -2.3588 | |
| 457 | N | A | -2.7405 | |
| 458 | E | A | -3.3905 | |
| 459 | L | A | 0.0000 | |
| 460 | G | A | -2.1221 | |
| 461 | D | A | -2.6309 | |
| 462 | E | A | -3.0147 | |
| 463 | G | A | 0.0000 | |
| 464 | A | A | -2.0552 | |
| 465 | R | A | -2.5652 | |
| 466 | L | A | -1.7480 | |
| 467 | L | A | 0.0000 | |
| 468 | C | A | 0.0000 | |
| 469 | E | A | -1.9490 | |
| 470 | T | A | -1.3742 | |
| 471 | L | A | -0.5434 | |
| 472 | L | A | -0.3214 | |
| 473 | G | A | -0.7595 | |
| 474 | S | A | -0.7295 | |
| 475 | G | A | -0.3837 | |
| 476 | S | A | -0.3498 | |
| 477 | P | A | -0.4656 | |
| 478 | A | A | -0.5131 | |
| 479 | T | A | -0.9801 | |
| 480 | K | A | -2.1810 | |
| 481 | P | A | -2.0888 | |
| 482 | N | A | -2.1685 | |
| 483 | G | A | -1.5529 | |
| 484 | Q | A | -1.6378 | |
| 485 | G | A | -1.1116 | |
| 486 | L | A | -0.7205 | |
| 487 | Y | A | 0.0000 | |
| 488 | P | A | -0.3863 | |
| 489 | D | A | 0.0000 | |
| 490 | F | A | 0.0000 | |
| 491 | A | A | -0.1905 | |
| 492 | G | A | 0.0000 | |
| 493 | S | A | -0.6380 | |
| 494 | G | A | -0.7118 | |
| 495 | S | A | -0.5621 | |
| 496 | L | A | 0.0000 | |
| 497 | W | A | -0.0393 | |
| 498 | V | A | 0.0000 | |
| 499 | K | A | -1.6129 | |
| 500 | S | A | -2.3559 | |
| 501 | C | A | 0.0000 | |
| 502 | S | A | -2.1181 | |
| 503 | F | A | 0.0000 | |
| 504 | T | A | -1.4465 | |
| 505 | A | A | -1.2506 | |
| 506 | A | A | -0.7247 | |
| 507 | C | A | 0.0000 | |
| 508 | C | A | 0.0000 | |
| 509 | S | A | -0.8935 | |
| 510 | H | A | -1.2294 | |
| 511 | F | A | 0.0000 | |
| 512 | S | A | -0.9313 | |
| 513 | S | A | -0.7948 | |
| 514 | V | A | -0.5638 | |
| 515 | L | A | 0.0000 | |
| 516 | A | A | -0.8576 | |
| 517 | Q | A | -0.9286 | |
| 518 | G | A | -0.7875 | |
| 519 | S | A | -0.8117 | |
| 520 | G | A | -0.6323 | |
| 521 | S | A | -0.2295 | |
| 522 | P | A | 0.0000 | |
| 523 | A | A | -0.6480 | |
| 524 | T | A | -1.0607 | |
| 525 | K | A | -1.6046 | |
| 526 | P | A | -1.2005 | |
| 527 | N | A | -1.6769 | |
| 528 | G | A | -1.5821 | |
| 529 | Q | A | -1.8404 | |
| 530 | G | A | -0.5563 | |
| 531 | L | A | 0.2472 | |
| 532 | Y | A | 0.0000 | |
| 533 | P | A | 0.0710 | |
| 534 | D | A | 0.0000 | |
| 535 | F | A | 0.3669 | |
| 536 | A | A | 0.0993 | |
| 537 | G | A | -0.2654 | |
| 538 | S | A | -0.5893 | |
| 539 | G | A | -0.7765 | |
| 540 | E | A | -0.9113 | |
| 541 | L | A | -0.0776 | |
| 542 | Q | A | -0.0659 | |
| 543 | I | A | 0.0000 | |
| 544 | S | A | -1.3319 | |
| 545 | N | A | 0.0000 | |
| 546 | N | A | -3.1715 | |
| 547 | R | A | -3.3305 | |
| 548 | L | A | 0.0000 | |
| 549 | E | A | -2.9839 | |
| 550 | D | A | -2.3318 | |
| 551 | A | A | -1.5964 | |
| 552 | G | A | 0.0000 | |
| 553 | V | A | 0.0000 | |
| 554 | R | A | -2.8378 | |
| 555 | E | A | -2.2932 | |
| 556 | L | A | 0.0000 | |
| 557 | C | A | 0.0000 | |
| 558 | Q | A | -2.0386 | |
| 559 | G | A | 0.0000 | |
| 560 | L | A | -0.8033 | |
| 561 | G | A | -0.6909 | |
| 562 | G | A | -0.9933 | |
| 563 | S | A | -0.9745 | |
| 564 | G | A | -0.9214 | |
| 565 | S | A | -0.8261 | |
| 566 | P | A | -0.5501 | |
| 567 | A | A | -0.5458 | |
| 568 | T | A | 0.0000 | |
| 569 | K | A | -1.7418 | |
| 570 | P | A | 0.0000 | |
| 571 | N | A | -2.8061 | |
| 572 | G | A | -2.1571 | |
| 573 | Q | A | -1.9074 | |
| 574 | G | A | -0.9252 | |
| 575 | L | A | 0.0000 | |
| 576 | Y | A | 0.0000 | |
| 577 | P | A | 0.2150 | |
| 578 | D | A | -0.0772 | |
| 579 | F | A | 0.5273 | |
| 580 | A | A | 0.2895 | |
| 581 | G | A | -0.2656 | |
| 582 | S | A | -0.7739 | |
| 583 | G | A | -0.8497 | |
| 584 | V | A | -0.5186 | |
| 585 | L | A | 0.0000 | |
| 586 | W | A | 0.4465 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | -0.8762 | |
| 589 | D | A | -2.3512 | |
| 590 | C | A | 0.0000 | |
| 591 | D | A | -1.9642 | |
| 592 | V | A | 0.0000 | |
| 593 | S | A | -1.4626 | |
| 594 | D | A | -1.6289 | |
| 595 | S | A | -1.3191 | |
| 596 | S | A | 0.0000 | |
| 597 | C | A | 0.0000 | |
| 598 | S | A | -0.6864 | |
| 599 | S | A | 0.0000 | |
| 600 | L | A | 0.0000 | |
| 601 | A | A | 0.0999 | |
| 602 | A | A | 0.1690 | |
| 603 | T | A | 0.0000 | |
| 604 | L | A | 0.4690 | |
| 605 | L | A | 1.3243 | |
| 606 | A | A | 0.5273 | |
| 607 | G | A | -0.1064 | |
| 608 | S | A | -0.5608 | |
| 609 | G | A | -0.6194 | |
| 610 | S | A | -0.3327 | |
| 611 | P | A | -0.3051 | |
| 612 | A | A | -0.4615 | |
| 613 | T | A | -1.1483 | |
| 614 | K | A | -2.4753 | |
| 615 | P | A | -2.1826 | |
| 616 | N | A | -2.3761 | |
| 617 | G | A | -2.2327 | |
| 618 | Q | A | -2.1204 | |
| 619 | G | A | -0.6405 | |
| 620 | L | A | 0.0341 | |
| 621 | Y | A | 0.0000 | |
| 622 | P | A | 0.4072 | |
| 623 | D | A | 0.0000 | |
| 624 | F | A | 0.5402 | |
| 625 | A | A | 0.3220 | |
| 626 | G | A | -0.3020 | |
| 627 | S | A | -0.6624 | |
| 628 | G | A | -0.8761 | |
| 629 | E | A | -1.1169 | |
| 630 | L | A | 0.0000 | |
| 631 | D | A | 0.0000 | |
| 632 | L | A | 0.0000 | |
| 633 | S | A | 0.0000 | |
| 634 | N | A | -1.1537 | |
| 635 | N | A | -1.4319 | |
| 636 | C | A | -0.4677 | |
| 637 | L | A | 0.0000 | |
| 638 | G | A | -0.1431 | |
| 639 | D | A | -0.1840 | |
| 640 | A | A | -0.1631 | |
| 641 | G | A | 0.0000 | |
| 642 | I | A | 0.0000 | |
| 643 | L | A | -0.2016 | |
| 644 | Q | A | -1.1791 | |
| 645 | L | A | 0.0000 | |
| 646 | V | A | 0.0000 | |
| 647 | E | A | -2.7317 | |
| 648 | S | A | -1.3136 | |
| 649 | V | A | 0.0000 | |
| 650 | R | A | -3.0692 | |
| 651 | G | A | -1.7204 | |
| 652 | S | A | -0.9024 | |
| 653 | G | A | -0.9765 | |
| 654 | S | A | -0.1715 | |
| 655 | P | A | -0.2579 | |
| 656 | A | A | -0.0465 | |
| 657 | T | A | -0.7589 | |
| 658 | K | A | -1.1330 | |
| 659 | P | A | -1.3365 | |
| 660 | N | A | -1.9736 | |
| 661 | G | A | -1.6865 | |
| 662 | Q | A | 0.0000 | |
| 663 | G | A | -0.4477 | |
| 664 | L | A | 0.4172 | |
| 665 | Y | A | 0.0000 | |
| 666 | P | A | 0.7102 | |
| 667 | D | A | 0.0000 | |
| 668 | F | A | 1.0457 | |
| 669 | A | A | 0.5262 | |
| 670 | G | A | -0.1734 | |
| 671 | S | A | -0.5780 | |
| 672 | G | A | -1.0170 | |
| 673 | Q | A | -0.8975 | |
| 674 | L | A | 0.0000 | |
| 675 | V | A | 0.8283 | |
| 676 | L | A | 0.0000 | |
| 677 | Y | A | 0.3641 | |
| 678 | D | A | -1.1872 | |
| 679 | I | A | 0.0658 | |
| 680 | Y | A | 0.2853 | |
| 681 | W | A | 0.2674 | |
| 682 | S | A | -1.4688 | |
| 683 | E | A | -3.4717 | |
| 684 | E | A | -3.6394 | |
| 685 | M | A | 0.0000 | |
| 686 | E | A | -3.4658 | |
| 687 | D | A | -3.6813 | |
| 688 | R | A | -3.6897 | |
| 689 | L | A | -2.8887 | |
| 690 | Q | A | -3.5127 | |
| 691 | A | A | -3.0027 | |
| 692 | L | A | 0.0000 | |
| 693 | E | A | -3.5170 | |
| 694 | K | A | -3.8692 | |
| 695 | D | A | -3.5062 | |
| 696 | G | A | -2.2730 | |
| 697 | S | A | -1.4278 | |
| 698 | G | A | -1.1264 | |
| 699 | S | A | -0.5073 | |
| 700 | P | A | -0.0544 | |
| 701 | A | A | -0.1493 | |
| 702 | T | A | -0.0269 | |
| 703 | K | A | 0.0000 | |
| 704 | P | A | -0.8969 | |
| 705 | N | A | -1.3015 | |
| 706 | G | A | -1.5074 | |
| 707 | Q | A | -1.3333 | |
| 708 | G | A | -0.2748 | |
| 709 | L | A | 0.6026 | |
| 710 | Y | A | 0.6537 | |
| 711 | P | A | 0.2228 | |
| 712 | D | A | 0.4861 | |
| 713 | F | A | 0.8945 | |
| 714 | A | A | 0.3182 | |
| 715 | G | A | 0.0000 | |
| 716 | S | A | -1.0936 | |
| 717 | G | A | -2.0098 | |
| 718 | R | A | -1.8294 | |
| 719 | V | A | 0.0000 | |
| 720 | I | A | 0.4993 | |
| 721 | S | A | 0.0273 |
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, -0.6953 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 | -0.6953 | View | CSV | PDB |
| model_11 | -0.7227 | View | CSV | PDB |
| model_0 | -0.7244 | View | CSV | PDB |
| model_6 | -0.7279 | View | CSV | PDB |
| model_1 | -0.7377 | View | CSV | PDB |
| CABS_average | -0.739 | View | CSV | PDB |
| model_4 | -0.7409 | View | CSV | PDB |
| model_2 | -0.7416 | View | CSV | PDB |
| model_5 | -0.7468 | View | CSV | PDB |
| model_10 | -0.7477 | View | CSV | PDB |
| model_7 | -0.7495 | View | CSV | PDB |
| model_9 | -0.7562 | View | CSV | PDB |
| model_8 | -0.7767 | View | CSV | PDB |
| input | -0.7997 | 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