Project name: C07_A6_EF_A16_EF_GSG
Status: done
Started: 2026-07-21 11:03:11
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGSPATKPNGQGLYPDFAGSGVRLDDCGLTEARCKDISSALRVGSGSPATKPNGQGLYPDFAGSGELNLRSNELGDVGVHCVLQGLQGSGSPATKPNGQGLYPDFAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGSPATKPNGQGLYPDFAGSGELHLSDNLLGDAGLQLLCEGLLGSGSPATKPNGQGLYPDFAGSGKLQLEYCSLSAASCEPLASVLRAGSGSPATKPNGQGLYPDFAGSGELTVSNNDINEAGVRVLCQGLKDGSGSPATKPNGQGLYPDFAGSGALKLESCGVTSDNCRDLCGIVASGSGSPATKPNGQGLYPDFAGSGELALGSNKLGDVGMAELCPGLLGSGTGNENSHPPYATTGSGTLWIWECGITAKGCGDLCRVLRAGSGTGNENSHPPYATTGSGELSLAGNELGDEGARLLCETLLGSGTGNENSHPPYATTGSGSLWVKSCSFTAACCSHFSSVLAQGSGTGNENSHPPYATTGSGELQISNNRLEDAGVRELCQGLGGSGTGNENSHPPYATTGSGVLWLADCDVSDSSCSSLAATLLAGSGTGNENSHPPYATTGSGELDLSNNCLGDAGILQLVESVRGSGTGNENSHPPYATTGSGQLVLYDIYWSEEMEDRLQALEKDGSGTGNENSHPPYATTGSGRVIS
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 (00:08:30)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:32:08)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:32:13)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:32:18)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:32:23)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:32:28)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:32:34)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:32:39)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:32:45)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:32:50)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:32:55)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:33:01)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:33:06)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:33:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:33:24)
[INFO] Main: Simulation completed successfully. (02:33:30)
|
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
- -4.8579
- Maximal score value
- 1.6096
- Average score
- -0.7369
- Total score value
- -513.6313
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 | 0.0885 | |
| 2 | L | A | 0.5530 | |
| 3 | D | A | 0.0000 | |
| 4 | I | A | 1.6096 | |
| 5 | Q | A | 0.7736 | |
| 6 | S | A | -0.3782 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.2974 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.6579 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.2768 | |
| 13 | E | A | -2.8843 | |
| 14 | L | A | -1.3541 | |
| 15 | S | A | -1.9323 | |
| 16 | D | A | -2.3416 | |
| 17 | A | A | -1.4075 | |
| 18 | R | A | -2.6301 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.2042 | |
| 21 | E | A | -1.5590 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.4979 | |
| 24 | P | A | -0.1981 | |
| 25 | L | A | 0.6845 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.9235 | |
| 28 | G | A | -0.0128 | |
| 29 | S | A | -0.2643 | |
| 30 | G | A | -0.6990 | |
| 31 | S | A | -0.4779 | |
| 32 | P | A | 0.0000 | |
| 33 | A | A | 0.0000 | |
| 34 | T | A | -1.0166 | |
| 35 | K | A | -2.4301 | |
| 36 | P | A | -2.0670 | |
| 37 | N | A | -1.9565 | |
| 38 | G | A | -1.7448 | |
| 39 | Q | A | -1.8445 | |
| 40 | G | A | -0.7908 | |
| 41 | L | A | 0.4555 | |
| 42 | Y | A | 0.6554 | |
| 43 | P | A | 0.0620 | |
| 44 | D | A | -0.8532 | |
| 45 | F | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | G | A | 0.0000 | |
| 48 | S | A | -0.4281 | |
| 49 | G | A | -0.9962 | |
| 50 | V | A | 0.0000 | |
| 51 | R | A | -3.0343 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -2.3145 | |
| 54 | D | A | -2.4927 | |
| 55 | C | A | -2.0992 | |
| 56 | G | A | -1.9451 | |
| 57 | L | A | 0.0000 | |
| 58 | T | A | -1.3222 | |
| 59 | E | A | -2.0346 | |
| 60 | A | A | -1.3549 | |
| 61 | R | A | -1.9742 | |
| 62 | C | A | 0.0000 | |
| 63 | K | A | -2.4996 | |
| 64 | D | A | -1.9119 | |
| 65 | I | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | S | A | -1.4311 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | R | A | -2.0975 | |
| 71 | V | A | -0.4041 | |
| 72 | G | A | 0.0000 | |
| 73 | S | A | -0.4931 | |
| 74 | G | A | -0.8555 | |
| 75 | S | A | -0.3900 | |
| 76 | P | A | 0.0000 | |
| 77 | A | A | -0.8512 | |
| 78 | T | A | -1.6282 | |
| 79 | K | A | -2.7077 | |
| 80 | P | A | 0.0000 | |
| 81 | N | A | -2.7730 | |
| 82 | G | A | -1.9461 | |
| 83 | Q | A | -1.7660 | |
| 84 | G | A | -1.7339 | |
| 85 | L | A | -1.3836 | |
| 86 | Y | A | 0.0000 | |
| 87 | P | A | 0.0000 | |
| 88 | D | A | -1.1734 | |
| 89 | F | A | 0.0000 | |
| 90 | A | A | -0.4743 | |
| 91 | G | A | 0.0000 | |
| 92 | S | A | -0.8764 | |
| 93 | G | A | -1.1524 | |
| 94 | E | A | -2.2622 | |
| 95 | L | A | 0.0000 | |
| 96 | N | A | -1.7472 | |
| 97 | L | A | 0.0000 | |
| 98 | R | A | -2.1042 | |
| 99 | S | A | 0.0000 | |
| 100 | N | A | -2.5478 | |
| 101 | E | A | -2.2842 | |
| 102 | L | A | 0.0000 | |
| 103 | G | A | -1.0009 | |
| 104 | D | A | -0.2224 | |
| 105 | V | A | 0.7060 | |
| 106 | G | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | H | A | -0.5308 | |
| 109 | C | A | -0.9993 | |
| 110 | V | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | Q | A | -2.1528 | |
| 113 | G | A | 0.0000 | |
| 114 | L | A | -1.2227 | |
| 115 | Q | A | -2.0748 | |
| 116 | G | A | -1.7624 | |
| 117 | S | A | -1.2866 | |
| 118 | G | A | -1.2778 | |
| 119 | S | A | -0.7275 | |
| 120 | P | A | -0.6254 | |
| 121 | A | A | -0.6214 | |
| 122 | T | A | -1.6926 | |
| 123 | K | A | -2.8999 | |
| 124 | P | A | 0.0000 | |
| 125 | N | A | -3.0879 | |
| 126 | G | A | -2.0434 | |
| 127 | Q | A | -1.6319 | |
| 128 | G | A | -0.7240 | |
| 129 | L | A | 0.0893 | |
| 130 | Y | A | 0.0000 | |
| 131 | P | A | 0.0000 | |
| 132 | D | A | -1.5227 | |
| 133 | F | A | 0.0000 | |
| 134 | A | A | -0.5377 | |
| 135 | G | A | -0.5159 | |
| 136 | S | A | -0.8366 | |
| 137 | G | A | -1.1285 | |
| 138 | K | A | -1.3127 | |
| 139 | L | A | -0.6109 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.4338 | |
| 143 | N | A | -1.5862 | |
| 144 | C | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | G | A | -0.0548 | |
| 149 | A | A | 0.1260 | |
| 150 | G | A | 0.0000 | |
| 151 | C | A | 0.0000 | |
| 152 | G | A | -0.2274 | |
| 153 | V | A | -0.3016 | |
| 154 | L | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | S | A | -1.0060 | |
| 157 | T | A | -0.9942 | |
| 158 | L | A | -1.1014 | |
| 159 | R | A | -1.9766 | |
| 160 | T | A | -1.4082 | |
| 161 | G | A | -1.2698 | |
| 162 | S | A | -0.8131 | |
| 163 | G | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | A | A | -0.6853 | |
| 167 | T | A | 0.0000 | |
| 168 | K | A | -2.8500 | |
| 169 | P | A | 0.0000 | |
| 170 | N | A | -2.5892 | |
| 171 | G | A | -1.8506 | |
| 172 | Q | A | 0.0000 | |
| 173 | G | A | -0.5061 | |
| 174 | L | A | 0.1765 | |
| 175 | Y | A | 0.0000 | |
| 176 | P | A | -0.5014 | |
| 177 | D | A | -1.3692 | |
| 178 | F | A | 0.0000 | |
| 179 | A | A | -0.5290 | |
| 180 | G | A | -0.4598 | |
| 181 | S | A | -0.6576 | |
| 182 | G | A | -0.8222 | |
| 183 | E | A | -0.9579 | |
| 184 | L | A | -0.3980 | |
| 185 | H | A | -0.7017 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | -0.4680 | |
| 188 | D | A | -0.7004 | |
| 189 | N | A | 0.0480 | |
| 190 | L | A | 1.2703 | |
| 191 | L | A | 0.0000 | |
| 192 | G | A | -0.1752 | |
| 193 | D | A | -0.8206 | |
| 194 | A | A | -0.4257 | |
| 195 | G | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | Q | A | -1.3111 | |
| 198 | L | A | -0.4515 | |
| 199 | L | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | E | A | -1.9012 | |
| 202 | G | A | 0.0000 | |
| 203 | L | A | -0.5656 | |
| 204 | L | A | -0.6251 | |
| 205 | G | A | -1.1498 | |
| 206 | S | A | -1.0795 | |
| 207 | G | A | -0.5739 | |
| 208 | S | A | -0.3878 | |
| 209 | P | A | -0.1798 | |
| 210 | A | A | 0.0821 | |
| 211 | T | A | -0.0282 | |
| 212 | K | A | 0.0000 | |
| 213 | P | A | -1.1860 | |
| 214 | N | A | -1.7264 | |
| 215 | G | A | -1.3358 | |
| 216 | Q | A | -0.9537 | |
| 217 | G | A | -0.2091 | |
| 218 | L | A | 0.6885 | |
| 219 | Y | A | 0.3979 | |
| 220 | P | A | 0.0000 | |
| 221 | D | A | -0.6689 | |
| 222 | F | A | -0.4368 | |
| 223 | A | A | -0.5387 | |
| 224 | G | A | -0.4925 | |
| 225 | S | A | -0.7601 | |
| 226 | G | A | -0.9219 | |
| 227 | K | A | -1.2651 | |
| 228 | L | A | -0.6724 | |
| 229 | Q | A | -0.6693 | |
| 230 | L | A | 0.0000 | |
| 231 | E | A | -0.2006 | |
| 232 | Y | A | 0.5209 | |
| 233 | C | A | 0.0000 | |
| 234 | S | A | -0.5096 | |
| 235 | L | A | 0.0000 | |
| 236 | S | A | -1.3785 | |
| 237 | A | A | -1.2551 | |
| 238 | A | A | -0.7834 | |
| 239 | S | A | 0.0000 | |
| 240 | C | A | 0.0000 | |
| 241 | E | A | -2.0536 | |
| 242 | P | A | -1.4890 | |
| 243 | L | A | 0.0000 | |
| 244 | A | A | -1.7732 | |
| 245 | S | A | -1.5126 | |
| 246 | V | A | 0.0000 | |
| 247 | L | A | -1.7446 | |
| 248 | R | A | -2.8171 | |
| 249 | A | A | -1.2296 | |
| 250 | G | A | -0.9550 | |
| 251 | S | A | -0.8594 | |
| 252 | G | A | -0.5695 | |
| 253 | S | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | A | A | -0.6370 | |
| 256 | T | A | 0.0000 | |
| 257 | K | A | -2.1116 | |
| 258 | P | A | -1.4734 | |
| 259 | N | A | -1.6757 | |
| 260 | G | A | -0.8031 | |
| 261 | Q | A | -0.6342 | |
| 262 | G | A | -0.4372 | |
| 263 | L | A | 0.0000 | |
| 264 | Y | A | 0.2867 | |
| 265 | P | A | -0.5109 | |
| 266 | D | A | -1.6305 | |
| 267 | F | A | 0.0000 | |
| 268 | A | A | -0.4430 | |
| 269 | G | A | -0.4700 | |
| 270 | S | A | -0.7844 | |
| 271 | G | A | -1.0487 | |
| 272 | E | A | -1.6475 | |
| 273 | L | A | 0.0000 | |
| 274 | T | A | -0.8545 | |
| 275 | V | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | N | A | -1.1992 | |
| 278 | N | A | 0.0000 | |
| 279 | D | A | -2.5378 | |
| 280 | I | A | 0.0000 | |
| 281 | N | A | -2.2118 | |
| 282 | E | A | -1.9071 | |
| 283 | A | A | -1.1474 | |
| 284 | G | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | R | A | -1.7699 | |
| 287 | V | A | -1.2502 | |
| 288 | L | A | 0.0000 | |
| 289 | C | A | 0.0000 | |
| 290 | Q | A | -2.7178 | |
| 291 | G | A | 0.0000 | |
| 292 | L | A | -2.1772 | |
| 293 | K | A | -3.4056 | |
| 294 | D | A | -3.5654 | |
| 295 | G | A | -2.6812 | |
| 296 | S | A | -1.9413 | |
| 297 | G | A | -1.3883 | |
| 298 | S | A | -0.6813 | |
| 299 | P | A | -0.8681 | |
| 300 | A | A | 0.0000 | |
| 301 | T | A | -0.9340 | |
| 302 | K | A | 0.0000 | |
| 303 | P | A | -1.1600 | |
| 304 | N | A | -1.4240 | |
| 305 | G | A | -1.5592 | |
| 306 | Q | A | -1.6187 | |
| 307 | G | A | -0.4994 | |
| 308 | L | A | 0.5096 | |
| 309 | Y | A | 0.0000 | |
| 310 | P | A | 0.0000 | |
| 311 | D | A | 0.4027 | |
| 312 | F | A | 0.0000 | |
| 313 | A | A | -0.1824 | |
| 314 | G | A | -0.3066 | |
| 315 | S | A | -1.0385 | |
| 316 | G | A | -1.3062 | |
| 317 | A | A | -1.3867 | |
| 318 | L | A | 0.0000 | |
| 319 | K | A | -1.2126 | |
| 320 | L | A | 0.0000 | |
| 321 | E | A | -1.2650 | |
| 322 | S | A | -1.6957 | |
| 323 | C | A | 0.0000 | |
| 324 | G | A | -1.6620 | |
| 325 | V | A | 0.0000 | |
| 326 | T | A | -1.2162 | |
| 327 | S | A | -1.2972 | |
| 328 | D | A | -2.0472 | |
| 329 | N | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | R | A | -2.5539 | |
| 332 | D | A | -2.0956 | |
| 333 | L | A | 0.0000 | |
| 334 | C | A | -0.8372 | |
| 335 | G | A | -1.1025 | |
| 336 | I | A | -0.9852 | |
| 337 | V | A | -0.3728 | |
| 338 | A | A | 0.0449 | |
| 339 | S | A | -0.5079 | |
| 340 | G | A | -0.6094 | |
| 341 | S | A | -0.3396 | |
| 342 | G | A | -0.2175 | |
| 343 | S | A | -0.2941 | |
| 344 | P | A | 0.0000 | |
| 345 | A | A | -0.7680 | |
| 346 | T | A | -0.2370 | |
| 347 | K | A | -0.3696 | |
| 348 | P | A | -0.7217 | |
| 349 | N | A | -0.9288 | |
| 350 | G | A | -1.1080 | |
| 351 | Q | A | 0.0000 | |
| 352 | G | A | -0.2907 | |
| 353 | L | A | 0.7218 | |
| 354 | Y | A | 1.0893 | |
| 355 | P | A | 0.1740 | |
| 356 | D | A | 0.0818 | |
| 357 | F | A | 0.8223 | |
| 358 | A | A | 0.2137 | |
| 359 | G | A | 0.0000 | |
| 360 | S | A | -0.8541 | |
| 361 | G | A | -1.3681 | |
| 362 | E | A | -2.1970 | |
| 363 | L | A | -0.8917 | |
| 364 | A | A | -0.4710 | |
| 365 | L | A | 0.0000 | |
| 366 | G | A | -0.8536 | |
| 367 | S | A | 0.0000 | |
| 368 | N | A | -2.5838 | |
| 369 | K | A | -2.8737 | |
| 370 | L | A | -1.5871 | |
| 371 | G | A | -0.9607 | |
| 372 | D | A | -1.0913 | |
| 373 | V | A | 0.7721 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | -0.4257 | |
| 377 | E | A | -0.8977 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | P | A | -0.3943 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | L | A | 0.0139 | |
| 384 | G | A | -0.1264 | |
| 385 | S | A | -0.2472 | |
| 386 | G | A | -0.6151 | |
| 387 | T | A | 0.0000 | |
| 388 | G | A | -1.4864 | |
| 389 | N | A | -1.9939 | |
| 390 | E | A | -2.8110 | |
| 391 | N | A | 0.0000 | |
| 392 | S | A | -1.2938 | |
| 393 | H | A | -1.0974 | |
| 394 | P | A | -0.5458 | |
| 395 | P | A | -0.3459 | |
| 396 | Y | A | 0.0304 | |
| 397 | A | A | 0.0620 | |
| 398 | T | A | -0.1106 | |
| 399 | T | A | -0.4092 | |
| 400 | G | A | -0.8552 | |
| 401 | S | A | -0.9615 | |
| 402 | G | A | -1.2039 | |
| 403 | T | A | -1.0793 | |
| 404 | L | A | 0.0000 | |
| 405 | W | A | 0.0889 | |
| 406 | I | A | 0.0000 | |
| 407 | W | A | -0.4748 | |
| 408 | E | A | -2.1880 | |
| 409 | C | A | 0.0000 | |
| 410 | G | A | -1.8979 | |
| 411 | I | A | 0.0000 | |
| 412 | T | A | -1.4357 | |
| 413 | A | A | -1.4338 | |
| 414 | K | A | -1.9326 | |
| 415 | G | A | 0.0000 | |
| 416 | C | A | 0.0000 | |
| 417 | G | A | -1.4299 | |
| 418 | D | A | -1.0146 | |
| 419 | L | A | 0.0000 | |
| 420 | C | A | 0.0000 | |
| 421 | R | A | -1.3739 | |
| 422 | V | A | 0.0000 | |
| 423 | L | A | -1.0537 | |
| 424 | R | A | -2.2512 | |
| 425 | A | A | -1.3134 | |
| 426 | G | A | -1.1797 | |
| 427 | S | A | -1.1163 | |
| 428 | G | A | 0.0000 | |
| 429 | T | A | 0.0000 | |
| 430 | G | A | -1.6893 | |
| 431 | N | A | -2.2156 | |
| 432 | E | A | -2.9449 | |
| 433 | N | A | -1.9332 | |
| 434 | S | A | 0.0000 | |
| 435 | H | A | -1.0336 | |
| 436 | P | A | -0.6334 | |
| 437 | P | A | -0.2417 | |
| 438 | Y | A | 0.1186 | |
| 439 | A | A | -0.1528 | |
| 440 | T | A | -0.1815 | |
| 441 | T | A | -0.4549 | |
| 442 | G | A | -0.8080 | |
| 443 | S | A | -0.7759 | |
| 444 | G | A | -1.0315 | |
| 445 | E | A | -1.0476 | |
| 446 | L | A | 0.0000 | |
| 447 | S | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | A | A | -0.6586 | |
| 450 | G | A | -1.4120 | |
| 451 | N | A | 0.0000 | |
| 452 | E | A | -1.7295 | |
| 453 | L | A | -0.3881 | |
| 454 | G | A | 0.0000 | |
| 455 | D | A | -1.0092 | |
| 456 | E | A | -1.4541 | |
| 457 | G | A | 0.0000 | |
| 458 | A | A | 0.0000 | |
| 459 | R | A | -1.4948 | |
| 460 | L | A | -1.1994 | |
| 461 | L | A | 0.0000 | |
| 462 | C | A | 0.0000 | |
| 463 | E | A | -1.3335 | |
| 464 | T | A | 0.0000 | |
| 465 | L | A | -0.5469 | |
| 466 | L | A | -0.5960 | |
| 467 | G | A | -0.9538 | |
| 468 | S | A | -0.9096 | |
| 469 | G | A | 0.0000 | |
| 470 | T | A | -0.5378 | |
| 471 | G | A | -0.6975 | |
| 472 | N | A | 0.0000 | |
| 473 | E | A | -2.3412 | |
| 474 | N | A | 0.0000 | |
| 475 | S | A | -1.3633 | |
| 476 | H | A | -1.4511 | |
| 477 | P | A | -0.9105 | |
| 478 | P | A | -0.4340 | |
| 479 | Y | A | -0.1840 | |
| 480 | A | A | 0.0000 | |
| 481 | T | A | -0.3161 | |
| 482 | T | A | -0.5171 | |
| 483 | G | A | -0.4970 | |
| 484 | S | A | -0.6778 | |
| 485 | G | A | -0.7882 | |
| 486 | S | A | 0.0000 | |
| 487 | L | A | -0.1915 | |
| 488 | W | A | 0.0609 | |
| 489 | V | A | 0.0000 | |
| 490 | K | A | -1.1775 | |
| 491 | S | A | -1.2887 | |
| 492 | C | A | 0.0000 | |
| 493 | S | A | -1.3265 | |
| 494 | F | A | 0.0000 | |
| 495 | T | A | -1.0360 | |
| 496 | A | A | -1.0775 | |
| 497 | A | A | -0.6650 | |
| 498 | C | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | S | A | -0.6940 | |
| 501 | H | A | -0.8067 | |
| 502 | F | A | 0.0000 | |
| 503 | S | A | 0.0000 | |
| 504 | S | A | -0.6053 | |
| 505 | V | A | 0.0000 | |
| 506 | L | A | -0.1200 | |
| 507 | A | A | -0.5354 | |
| 508 | Q | A | -0.8933 | |
| 509 | G | A | 0.0000 | |
| 510 | S | A | -0.8222 | |
| 511 | G | A | -1.4488 | |
| 512 | T | A | 0.0000 | |
| 513 | G | A | -1.7994 | |
| 514 | N | A | -2.6037 | |
| 515 | E | A | -2.5813 | |
| 516 | N | A | -2.1473 | |
| 517 | S | A | -1.6347 | |
| 518 | H | A | -1.2919 | |
| 519 | P | A | -0.9201 | |
| 520 | P | A | -0.5825 | |
| 521 | Y | A | 0.0000 | |
| 522 | A | A | 0.0000 | |
| 523 | T | A | -0.3072 | |
| 524 | T | A | 0.0000 | |
| 525 | G | A | -0.3438 | |
| 526 | S | A | -0.5457 | |
| 527 | G | A | -0.9887 | |
| 528 | E | A | -1.1830 | |
| 529 | L | A | -0.2050 | |
| 530 | Q | A | -0.1631 | |
| 531 | I | A | 0.0000 | |
| 532 | S | A | 0.0000 | |
| 533 | N | A | -2.6140 | |
| 534 | N | A | 0.0000 | |
| 535 | R | A | -3.3869 | |
| 536 | L | A | 0.0000 | |
| 537 | E | A | -3.2923 | |
| 538 | D | A | -2.7523 | |
| 539 | A | A | -1.7348 | |
| 540 | G | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | R | A | -2.5301 | |
| 543 | E | A | -2.2971 | |
| 544 | L | A | -1.2739 | |
| 545 | C | A | -1.3711 | |
| 546 | Q | A | -1.8789 | |
| 547 | G | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | G | A | -0.4394 | |
| 550 | G | A | -0.7784 | |
| 551 | S | A | 0.0000 | |
| 552 | G | A | 0.0000 | |
| 553 | T | A | 0.0000 | |
| 554 | G | A | 0.0000 | |
| 555 | N | A | -1.3122 | |
| 556 | E | A | -1.8208 | |
| 557 | N | A | -1.5262 | |
| 558 | S | A | -1.1245 | |
| 559 | H | A | 0.0000 | |
| 560 | P | A | -0.6568 | |
| 561 | P | A | -0.2621 | |
| 562 | Y | A | 0.0000 | |
| 563 | A | A | 0.0870 | |
| 564 | T | A | 0.0562 | |
| 565 | T | A | 0.0000 | |
| 566 | G | A | -0.3243 | |
| 567 | S | A | -0.4759 | |
| 568 | G | A | -0.6726 | |
| 569 | V | A | 0.0000 | |
| 570 | L | A | 0.1533 | |
| 571 | W | A | 0.4769 | |
| 572 | L | A | 0.0000 | |
| 573 | A | A | 0.0000 | |
| 574 | D | A | -2.6592 | |
| 575 | C | A | 0.0000 | |
| 576 | D | A | -3.1630 | |
| 577 | V | A | 0.0000 | |
| 578 | S | A | -1.2499 | |
| 579 | D | A | -1.2985 | |
| 580 | S | A | -1.1940 | |
| 581 | S | A | 0.0000 | |
| 582 | C | A | 0.0000 | |
| 583 | S | A | -0.5841 | |
| 584 | S | A | 0.0000 | |
| 585 | L | A | -0.0766 | |
| 586 | A | A | 0.0000 | |
| 587 | A | A | 0.2145 | |
| 588 | T | A | 0.0000 | |
| 589 | L | A | 0.0000 | |
| 590 | L | A | 1.0962 | |
| 591 | A | A | 0.4950 | |
| 592 | G | A | 0.0000 | |
| 593 | S | A | 0.0000 | |
| 594 | G | A | 0.0000 | |
| 595 | T | A | 0.0000 | |
| 596 | G | A | -1.5976 | |
| 597 | N | A | 0.0000 | |
| 598 | E | A | -2.7054 | |
| 599 | N | A | -1.7237 | |
| 600 | S | A | -0.8826 | |
| 601 | H | A | 0.0000 | |
| 602 | P | A | -0.1307 | |
| 603 | P | A | 0.2548 | |
| 604 | Y | A | 0.8149 | |
| 605 | A | A | 0.0000 | |
| 606 | T | A | 0.2978 | |
| 607 | T | A | -0.0639 | |
| 608 | G | A | -0.3604 | |
| 609 | S | A | -0.3722 | |
| 610 | G | A | -0.6105 | |
| 611 | E | A | 0.0000 | |
| 612 | L | A | 0.4450 | |
| 613 | D | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | S | A | -0.6860 | |
| 616 | N | A | -1.6849 | |
| 617 | N | A | 0.0000 | |
| 618 | C | A | -0.4146 | |
| 619 | L | A | 0.0000 | |
| 620 | G | A | -0.0223 | |
| 621 | D | A | -0.3416 | |
| 622 | A | A | -0.4250 | |
| 623 | G | A | 0.0000 | |
| 624 | I | A | 0.0000 | |
| 625 | L | A | -0.5155 | |
| 626 | Q | A | -1.2631 | |
| 627 | L | A | 0.0000 | |
| 628 | V | A | 0.0000 | |
| 629 | E | A | -2.3002 | |
| 630 | S | A | -1.0588 | |
| 631 | V | A | 0.0000 | |
| 632 | R | A | -2.0170 | |
| 633 | G | A | -1.4555 | |
| 634 | S | A | -1.4726 | |
| 635 | G | A | 0.0000 | |
| 636 | T | A | 0.0000 | |
| 637 | G | A | -0.9189 | |
| 638 | N | A | 0.0000 | |
| 639 | E | A | -2.7884 | |
| 640 | N | A | -2.3091 | |
| 641 | S | A | -1.6719 | |
| 642 | H | A | -1.2268 | |
| 643 | P | A | 0.0000 | |
| 644 | P | A | 0.4589 | |
| 645 | Y | A | 1.3006 | |
| 646 | A | A | 0.0000 | |
| 647 | T | A | 0.3867 | |
| 648 | T | A | -0.1954 | |
| 649 | G | A | -0.5245 | |
| 650 | S | A | 0.0000 | |
| 651 | G | A | -0.6467 | |
| 652 | Q | A | 0.0000 | |
| 653 | L | A | 0.0000 | |
| 654 | V | A | 0.5385 | |
| 655 | L | A | 0.0000 | |
| 656 | Y | A | 0.3415 | |
| 657 | D | A | -1.1301 | |
| 658 | I | A | 0.2708 | |
| 659 | Y | A | 1.3694 | |
| 660 | W | A | 0.2131 | |
| 661 | S | A | -1.9337 | |
| 662 | E | A | -3.8814 | |
| 663 | E | A | -4.2963 | |
| 664 | M | A | 0.0000 | |
| 665 | E | A | -4.4405 | |
| 666 | D | A | -4.8579 | |
| 667 | R | A | -4.1517 | |
| 668 | L | A | -3.0851 | |
| 669 | Q | A | -3.5948 | |
| 670 | A | A | -2.8500 | |
| 671 | L | A | 0.0000 | |
| 672 | E | A | -2.7477 | |
| 673 | K | A | -2.9052 | |
| 674 | D | A | -2.1155 | |
| 675 | G | A | -1.8056 | |
| 676 | S | A | -1.4446 | |
| 677 | G | A | -1.2599 | |
| 678 | T | A | -0.8931 | |
| 679 | G | A | -0.7015 | |
| 680 | N | A | -1.0965 | |
| 681 | E | A | -1.4639 | |
| 682 | N | A | -0.8857 | |
| 683 | S | A | -0.8603 | |
| 684 | H | A | -0.3594 | |
| 685 | P | A | -0.0420 | |
| 686 | P | A | 0.0000 | |
| 687 | Y | A | 1.2222 | |
| 688 | A | A | 0.4515 | |
| 689 | T | A | 0.0000 | |
| 690 | T | A | -0.6154 | |
| 691 | G | A | -0.8000 | |
| 692 | S | A | -1.0160 | |
| 693 | G | A | -1.1539 | |
| 694 | R | A | -1.5335 | |
| 695 | V | A | 0.0000 | |
| 696 | I | A | 0.0251 | |
| 697 | S | A | 0.0981 |
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, -0.7369 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 | -0.7369 | View | CSV | PDB |
| model_6 | -0.7395 | View | CSV | PDB |
| model_0 | -0.7535 | View | CSV | PDB |
| model_2 | -0.7567 | View | CSV | PDB |
| model_5 | -0.757 | View | CSV | PDB |
| model_10 | -0.766 | View | CSV | PDB |
| model_4 | -0.7661 | View | CSV | PDB |
| CABS_average | -0.7742 | View | CSV | PDB |
| model_1 | -0.7862 | View | CSV | PDB |
| model_9 | -0.7943 | View | CSV | PDB |
| model_11 | -0.8075 | View | CSV | PDB |
| model_7 | -0.8085 | View | CSV | PDB |
| model_8 | -0.8187 | View | CSV | PDB |
| input | -0.9003 | 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