Project name: C46_D68_EF_GSG
Status: done
Started: 2026-07-21 11:11:05
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGLFTYLRFDAEITILTGSGVRLDDCGLTEARCKDISSALRVGSGLFTYLRFDAEITILTGSGELNLRSNELGDVGVHCVLQGLQGSGLFTYLRFDAEITILTGSGKLSLQNCCLTGAGCGVLSSTLRTGSGLFTYLRFDAEITILTGSGELHLSDNLLGDAGLQLLCEGLLGSGLFTYLRFDAEITILTGSGKLQLEYCSLSAASCEPLASVLRAGSGLFTYLRFDAEITILTGSGELTVSNNDINEAGVRVLCQGLKDGSGLFTYLRFDAEITILTGSGALKLESCGVTSDNCRDLCGIVASGSGLFTYLRFDAEITILTGSGELALGSNKLGDVGMAELCPGLLGSGLFTYLRFDAEITILTGSGTLWIWECGITAKGCGDLCRVLRAGSGLFTYLRFDAEITILTGSGELSLAGNELGDEGARLLCETLLGSGLFTYLRFDAEITILTGSGSLWVKSCSFTAACCSHFSSVLAQGSGLFTYLRFDAEITILTGSGELQISNNRLEDAGVRELCQGLGGSGLFTYLRFDAEITILTGSGVLWLADCDVSDSSCSSLAATLLAGSGLFTYLRFDAEITILTGSGELDLSNNCLGDAGILQLVESVRGSGLFTYLRFDAEITILTGSGQLVLYDIYWSEEMEDRLQALEKDGSGLFTYLRFDAEITILTGSGRVIS
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 (00:06:56)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (01:49:48)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (01:49:52)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (01:49:57)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (01:50:02)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (01:50:07)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (01:50:11)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (01:50:16)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (01:50:21)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (01:50:25)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (01:50:30)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (01:50:35)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (01:50:40)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (01:50:44)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:50:56)
[INFO] Main: Simulation completed successfully. (01:51:00)
|
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
- -4.4382
- Maximal score value
- 2.3321
- Average score
- -0.5942
- Total score value
- -418.9445
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 | 0.0852 | |
| 2 | L | A | 0.0893 | |
| 3 | D | A | -1.4911 | |
| 4 | I | A | -0.8756 | |
| 5 | Q | A | -1.5547 | |
| 6 | S | A | -1.2318 | |
| 7 | L | A | -0.7919 | |
| 8 | D | A | -1.7474 | |
| 9 | I | A | -1.5571 | |
| 10 | Q | A | -2.0887 | |
| 11 | C | A | -1.1466 | |
| 12 | E | A | -1.9564 | |
| 13 | E | A | -2.8145 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.0862 | |
| 16 | D | A | -2.5688 | |
| 17 | A | A | -1.7121 | |
| 18 | R | A | -2.2767 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5344 | |
| 21 | E | A | -2.2165 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.5603 | |
| 24 | P | A | -0.4651 | |
| 25 | L | A | -0.0216 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.1078 | |
| 28 | G | A | 0.1891 | |
| 29 | S | A | 0.0000 | |
| 30 | G | A | 0.0000 | |
| 31 | L | A | 1.1602 | |
| 32 | F | A | 0.0000 | |
| 33 | T | A | 1.1777 | |
| 34 | Y | A | 1.2197 | |
| 35 | L | A | -0.0526 | |
| 36 | R | A | -2.1605 | |
| 37 | F | A | -1.7832 | |
| 38 | D | A | -2.9902 | |
| 39 | A | A | -1.9192 | |
| 40 | E | A | -2.1671 | |
| 41 | I | A | 0.2082 | |
| 42 | T | A | 0.0000 | |
| 43 | I | A | 1.4550 | |
| 44 | L | A | 0.0000 | |
| 45 | T | A | -0.1639 | |
| 46 | G | A | 0.0000 | |
| 47 | S | A | -0.5778 | |
| 48 | G | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -1.7570 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -1.8718 | |
| 53 | D | A | -2.5167 | |
| 54 | C | A | 0.0000 | |
| 55 | G | A | -1.9120 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -1.3582 | |
| 58 | E | A | -1.6712 | |
| 59 | A | A | -0.9789 | |
| 60 | R | A | -1.5261 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.2717 | |
| 63 | D | A | -1.8436 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | -1.3707 | |
| 66 | S | A | -1.1659 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | R | A | -1.2761 | |
| 70 | V | A | 0.8433 | |
| 71 | G | A | 0.0000 | |
| 72 | S | A | 0.1080 | |
| 73 | G | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | F | A | 0.0000 | |
| 76 | T | A | 0.0000 | |
| 77 | Y | A | 0.4326 | |
| 78 | L | A | 0.0000 | |
| 79 | R | A | -3.1951 | |
| 80 | F | A | 0.0000 | |
| 81 | D | A | -3.9526 | |
| 82 | A | A | 0.0000 | |
| 83 | E | A | -3.0645 | |
| 84 | I | A | -0.5527 | |
| 85 | T | A | 0.0000 | |
| 86 | I | A | 1.5220 | |
| 87 | L | A | 0.0000 | |
| 88 | T | A | 0.3002 | |
| 89 | G | A | 0.0000 | |
| 90 | S | A | -0.3012 | |
| 91 | G | A | 0.0000 | |
| 92 | E | A | -0.8356 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | -0.9790 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -1.7434 | |
| 97 | S | A | -1.7555 | |
| 98 | N | A | 0.0000 | |
| 99 | E | A | -2.3820 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -0.5798 | |
| 102 | D | A | -0.2151 | |
| 103 | V | A | 0.4096 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.4676 | |
| 107 | C | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -1.1856 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | Q | A | -1.1900 | |
| 114 | G | A | -0.9673 | |
| 115 | S | A | -0.4923 | |
| 116 | G | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | T | A | 0.0000 | |
| 120 | Y | A | -0.0282 | |
| 121 | L | A | 0.0000 | |
| 122 | R | A | -3.1671 | |
| 123 | F | A | 0.0000 | |
| 124 | D | A | -4.2289 | |
| 125 | A | A | 0.0000 | |
| 126 | E | A | -3.1489 | |
| 127 | I | A | -0.8597 | |
| 128 | T | A | 0.0000 | |
| 129 | I | A | 1.2239 | |
| 130 | L | A | 0.0000 | |
| 131 | T | A | 0.2042 | |
| 132 | G | A | 0.0000 | |
| 133 | S | A | -0.3113 | |
| 134 | G | A | 0.0000 | |
| 135 | K | A | -0.6695 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.1128 | |
| 140 | N | A | -1.4465 | |
| 141 | C | A | 0.0000 | |
| 142 | C | A | -0.1225 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | 0.5338 | |
| 145 | G | A | 0.1360 | |
| 146 | A | A | 0.2494 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.1320 | |
| 150 | V | A | -0.1147 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | -0.6370 | |
| 153 | S | A | -0.9205 | |
| 154 | T | A | -0.9191 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -2.1307 | |
| 157 | T | A | -1.2367 | |
| 158 | G | A | 0.0000 | |
| 159 | S | A | -0.6431 | |
| 160 | G | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | F | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | Y | A | 0.3877 | |
| 165 | L | A | 0.0000 | |
| 166 | R | A | -2.1801 | |
| 167 | F | A | 0.0000 | |
| 168 | D | A | -4.0797 | |
| 169 | A | A | 0.0000 | |
| 170 | E | A | -3.0492 | |
| 171 | I | A | -0.8950 | |
| 172 | T | A | 0.0000 | |
| 173 | I | A | 1.0637 | |
| 174 | L | A | 0.0000 | |
| 175 | T | A | 0.1681 | |
| 176 | G | A | 0.0000 | |
| 177 | S | A | -0.3108 | |
| 178 | G | A | 0.0000 | |
| 179 | E | A | -0.6267 | |
| 180 | L | A | 0.0000 | |
| 181 | H | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | D | A | -0.3939 | |
| 185 | N | A | 0.0000 | |
| 186 | L | A | 1.4598 | |
| 187 | L | A | 0.0000 | |
| 188 | G | A | 0.0780 | |
| 189 | D | A | -0.5113 | |
| 190 | A | A | -0.2727 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -0.7993 | |
| 194 | L | A | -0.0117 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | E | A | -1.1037 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | L | A | -0.2603 | |
| 201 | G | A | -0.9599 | |
| 202 | S | A | -0.5964 | |
| 203 | G | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | T | A | 0.6590 | |
| 207 | Y | A | 0.8975 | |
| 208 | L | A | 0.0000 | |
| 209 | R | A | -2.6698 | |
| 210 | F | A | 0.0000 | |
| 211 | D | A | -3.8989 | |
| 212 | A | A | 0.0000 | |
| 213 | E | A | -3.1962 | |
| 214 | I | A | -1.0726 | |
| 215 | T | A | 0.0000 | |
| 216 | I | A | 0.9621 | |
| 217 | L | A | 0.0000 | |
| 218 | T | A | 0.1418 | |
| 219 | G | A | 0.0000 | |
| 220 | S | A | -0.2518 | |
| 221 | G | A | 0.0000 | |
| 222 | K | A | -0.6178 | |
| 223 | L | A | 0.0000 | |
| 224 | Q | A | -0.4706 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -0.0760 | |
| 227 | Y | A | 0.6200 | |
| 228 | C | A | 0.0000 | |
| 229 | S | A | -0.0758 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.0071 | |
| 232 | A | A | -1.0752 | |
| 233 | A | A | -0.5426 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -1.6102 | |
| 237 | P | A | -0.9465 | |
| 238 | L | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | S | A | -0.9383 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | -1.4127 | |
| 244 | A | A | -0.4849 | |
| 245 | G | A | 0.0000 | |
| 246 | S | A | 0.2435 | |
| 247 | G | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | T | A | 0.0000 | |
| 251 | Y | A | 1.2280 | |
| 252 | L | A | -0.2205 | |
| 253 | R | A | -2.4431 | |
| 254 | F | A | 0.0000 | |
| 255 | D | A | -3.9606 | |
| 256 | A | A | 0.0000 | |
| 257 | E | A | -3.0427 | |
| 258 | I | A | -1.1299 | |
| 259 | T | A | 0.0000 | |
| 260 | I | A | 0.9070 | |
| 261 | L | A | 0.0000 | |
| 262 | T | A | 0.1260 | |
| 263 | G | A | 0.0000 | |
| 264 | S | A | -0.2211 | |
| 265 | G | A | 0.0000 | |
| 266 | E | A | -0.5105 | |
| 267 | L | A | 0.0000 | |
| 268 | T | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | N | A | -0.6329 | |
| 272 | N | A | 0.0000 | |
| 273 | D | A | -2.0722 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -1.7577 | |
| 276 | E | A | -1.9161 | |
| 277 | A | A | -1.0932 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -2.5360 | |
| 281 | V | A | -1.1596 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.2124 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -1.9733 | |
| 288 | D | A | -2.5927 | |
| 289 | G | A | -1.6877 | |
| 290 | S | A | -0.4277 | |
| 291 | G | A | -0.4852 | |
| 292 | L | A | 0.0000 | |
| 293 | F | A | 0.0000 | |
| 294 | T | A | 0.9239 | |
| 295 | Y | A | 1.1935 | |
| 296 | L | A | -0.2911 | |
| 297 | R | A | -2.3551 | |
| 298 | F | A | -2.6948 | |
| 299 | D | A | -3.2597 | |
| 300 | A | A | -2.9475 | |
| 301 | E | A | -2.6483 | |
| 302 | I | A | -0.9599 | |
| 303 | T | A | 0.0000 | |
| 304 | I | A | 0.9137 | |
| 305 | L | A | 0.0000 | |
| 306 | T | A | 0.1245 | |
| 307 | G | A | 0.0000 | |
| 308 | S | A | -0.1581 | |
| 309 | G | A | 0.0000 | |
| 310 | A | A | -0.3543 | |
| 311 | L | A | 0.0000 | |
| 312 | K | A | -0.5387 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -0.6025 | |
| 315 | S | A | -1.0943 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -1.4677 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | -1.6560 | |
| 320 | S | A | -1.3805 | |
| 321 | D | A | -2.5448 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.6587 | |
| 325 | D | A | -2.0915 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | -0.9016 | |
| 328 | G | A | -0.9800 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | A | A | -0.2127 | |
| 332 | S | A | -0.1290 | |
| 333 | G | A | 0.0605 | |
| 334 | S | A | -0.0928 | |
| 335 | G | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | 0.6228 | |
| 338 | T | A | 0.7791 | |
| 339 | Y | A | 0.9888 | |
| 340 | L | A | 0.0000 | |
| 341 | R | A | -2.3216 | |
| 342 | F | A | -2.6795 | |
| 343 | D | A | -3.4388 | |
| 344 | A | A | 0.0000 | |
| 345 | E | A | -2.8303 | |
| 346 | I | A | -0.9624 | |
| 347 | T | A | 0.0000 | |
| 348 | I | A | 0.9638 | |
| 349 | L | A | 0.0000 | |
| 350 | T | A | 0.1314 | |
| 351 | G | A | 0.0000 | |
| 352 | S | A | -0.1654 | |
| 353 | G | A | 0.0000 | |
| 354 | E | A | -0.4518 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | -1.2123 | |
| 360 | N | A | 0.0000 | |
| 361 | K | A | -2.0570 | |
| 362 | L | A | 0.0000 | |
| 363 | G | A | -0.7700 | |
| 364 | D | A | -0.4375 | |
| 365 | V | A | 0.5443 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.3663 | |
| 369 | E | A | -1.1369 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.8333 | |
| 373 | G | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | -0.4458 | |
| 376 | G | A | -0.3872 | |
| 377 | S | A | -0.0872 | |
| 378 | G | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | F | A | 0.0000 | |
| 381 | T | A | 0.3833 | |
| 382 | Y | A | 0.1693 | |
| 383 | L | A | 0.0000 | |
| 384 | R | A | -2.9719 | |
| 385 | F | A | 0.0000 | |
| 386 | D | A | -3.6117 | |
| 387 | A | A | -2.8730 | |
| 388 | E | A | -2.7270 | |
| 389 | I | A | -0.7995 | |
| 390 | T | A | 0.0000 | |
| 391 | I | A | 1.0070 | |
| 392 | L | A | 0.0000 | |
| 393 | T | A | 0.1386 | |
| 394 | G | A | 0.0000 | |
| 395 | S | A | -0.2046 | |
| 396 | G | A | 0.0000 | |
| 397 | T | A | -0.2388 | |
| 398 | L | A | 0.0000 | |
| 399 | W | A | 0.0013 | |
| 400 | I | A | 0.0000 | |
| 401 | W | A | -0.6350 | |
| 402 | E | A | -2.3274 | |
| 403 | C | A | 0.0000 | |
| 404 | G | A | -1.9572 | |
| 405 | I | A | 0.0000 | |
| 406 | T | A | -1.6086 | |
| 407 | A | A | -1.7742 | |
| 408 | K | A | -1.8749 | |
| 409 | G | A | 0.0000 | |
| 410 | C | A | 0.0000 | |
| 411 | G | A | -1.6336 | |
| 412 | D | A | -1.5761 | |
| 413 | L | A | 0.0000 | |
| 414 | C | A | 0.0000 | |
| 415 | R | A | -2.6513 | |
| 416 | V | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | R | A | -2.6964 | |
| 419 | A | A | -1.3922 | |
| 420 | G | A | -0.4016 | |
| 421 | S | A | 0.0000 | |
| 422 | G | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | F | A | 0.5406 | |
| 425 | T | A | 0.0000 | |
| 426 | Y | A | 0.9385 | |
| 427 | L | A | -0.4604 | |
| 428 | R | A | -2.8158 | |
| 429 | F | A | 0.0000 | |
| 430 | D | A | -3.9110 | |
| 431 | A | A | 0.0000 | |
| 432 | E | A | -2.8388 | |
| 433 | I | A | -0.8440 | |
| 434 | T | A | 0.0000 | |
| 435 | I | A | 1.0567 | |
| 436 | L | A | 0.0000 | |
| 437 | T | A | 0.1490 | |
| 438 | G | A | 0.0000 | |
| 439 | S | A | -0.1915 | |
| 440 | G | A | 0.0000 | |
| 441 | E | A | -0.3631 | |
| 442 | L | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | A | A | -0.8532 | |
| 446 | G | A | -1.5552 | |
| 447 | N | A | 0.0000 | |
| 448 | E | A | -2.3815 | |
| 449 | L | A | 0.0000 | |
| 450 | G | A | -1.4140 | |
| 451 | D | A | -1.4624 | |
| 452 | E | A | -1.7975 | |
| 453 | G | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | R | A | -1.5950 | |
| 456 | L | A | -1.4424 | |
| 457 | L | A | 0.0000 | |
| 458 | C | A | 0.0000 | |
| 459 | E | A | -2.1011 | |
| 460 | T | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | L | A | -0.8325 | |
| 463 | G | A | -1.0153 | |
| 464 | S | A | 0.0000 | |
| 465 | G | A | 0.0000 | |
| 466 | L | A | 0.0000 | |
| 467 | F | A | 0.0000 | |
| 468 | T | A | 0.6805 | |
| 469 | Y | A | 1.1614 | |
| 470 | L | A | 0.0000 | |
| 471 | R | A | -2.9057 | |
| 472 | F | A | 0.0000 | |
| 473 | D | A | -3.9132 | |
| 474 | A | A | 0.0000 | |
| 475 | E | A | -2.5026 | |
| 476 | I | A | -0.7458 | |
| 477 | T | A | 0.0000 | |
| 478 | I | A | 1.1258 | |
| 479 | L | A | 0.0000 | |
| 480 | T | A | 0.1720 | |
| 481 | G | A | 0.0000 | |
| 482 | S | A | -0.2113 | |
| 483 | G | A | 0.0000 | |
| 484 | S | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | W | A | 0.1243 | |
| 487 | V | A | 0.0000 | |
| 488 | K | A | -0.7706 | |
| 489 | S | A | -1.6716 | |
| 490 | C | A | 0.0000 | |
| 491 | S | A | -1.5724 | |
| 492 | F | A | 0.0000 | |
| 493 | T | A | -1.0790 | |
| 494 | A | A | -1.2156 | |
| 495 | A | A | -0.7915 | |
| 496 | C | A | 0.0000 | |
| 497 | C | A | 0.0000 | |
| 498 | S | A | -1.0293 | |
| 499 | H | A | -1.1241 | |
| 500 | F | A | 0.0000 | |
| 501 | S | A | -1.2108 | |
| 502 | S | A | -1.0330 | |
| 503 | V | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | A | A | -0.9091 | |
| 506 | Q | A | -0.9903 | |
| 507 | G | A | 0.0000 | |
| 508 | S | A | 0.0000 | |
| 509 | G | A | 0.0000 | |
| 510 | L | A | 0.0000 | |
| 511 | F | A | 0.7718 | |
| 512 | T | A | 0.0000 | |
| 513 | Y | A | 1.0541 | |
| 514 | L | A | 0.0000 | |
| 515 | R | A | -2.9364 | |
| 516 | F | A | 0.0000 | |
| 517 | D | A | -3.9095 | |
| 518 | A | A | 0.0000 | |
| 519 | E | A | -2.6748 | |
| 520 | I | A | -0.6574 | |
| 521 | T | A | 0.0000 | |
| 522 | I | A | 1.2632 | |
| 523 | L | A | 0.0000 | |
| 524 | T | A | 0.2106 | |
| 525 | G | A | 0.0000 | |
| 526 | S | A | -0.1436 | |
| 527 | G | A | 0.0000 | |
| 528 | E | A | -0.2355 | |
| 529 | L | A | 0.0000 | |
| 530 | Q | A | 0.0000 | |
| 531 | I | A | 0.0000 | |
| 532 | S | A | 0.0000 | |
| 533 | N | A | -2.4210 | |
| 534 | N | A | 0.0000 | |
| 535 | R | A | -3.2572 | |
| 536 | L | A | 0.0000 | |
| 537 | E | A | -2.9438 | |
| 538 | D | A | -2.2500 | |
| 539 | A | A | -1.5034 | |
| 540 | G | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | R | A | -2.6256 | |
| 543 | E | A | -2.4487 | |
| 544 | L | A | 0.0000 | |
| 545 | C | A | 0.0000 | |
| 546 | Q | A | -2.1229 | |
| 547 | G | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | G | A | -0.7483 | |
| 550 | G | A | -0.7094 | |
| 551 | S | A | 0.0000 | |
| 552 | G | A | 0.0000 | |
| 553 | L | A | 0.0000 | |
| 554 | F | A | 0.0000 | |
| 555 | T | A | 0.7629 | |
| 556 | Y | A | 0.9124 | |
| 557 | L | A | 0.0000 | |
| 558 | R | A | -2.5764 | |
| 559 | F | A | 0.0000 | |
| 560 | D | A | -4.2140 | |
| 561 | A | A | 0.0000 | |
| 562 | E | A | -2.9471 | |
| 563 | I | A | -0.8420 | |
| 564 | T | A | 0.0000 | |
| 565 | I | A | 1.3164 | |
| 566 | L | A | 0.0000 | |
| 567 | T | A | 0.2060 | |
| 568 | G | A | 0.0000 | |
| 569 | S | A | -0.1783 | |
| 570 | G | A | 0.0000 | |
| 571 | V | A | -0.0747 | |
| 572 | L | A | 0.0000 | |
| 573 | W | A | -0.1075 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | -1.5006 | |
| 576 | D | A | -3.0536 | |
| 577 | C | A | 0.0000 | |
| 578 | D | A | -3.3482 | |
| 579 | V | A | 0.0000 | |
| 580 | S | A | -0.8663 | |
| 581 | D | A | -0.7752 | |
| 582 | S | A | -0.9041 | |
| 583 | S | A | 0.0000 | |
| 584 | C | A | 0.0000 | |
| 585 | S | A | -0.4986 | |
| 586 | S | A | -0.9456 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | 0.0000 | |
| 589 | A | A | 0.1171 | |
| 590 | T | A | 0.0000 | |
| 591 | L | A | 0.0000 | |
| 592 | L | A | 0.3723 | |
| 593 | A | A | 0.4647 | |
| 594 | G | A | 0.0000 | |
| 595 | S | A | 0.0000 | |
| 596 | G | A | 0.0000 | |
| 597 | L | A | 0.0000 | |
| 598 | F | A | 0.0000 | |
| 599 | T | A | 0.0000 | |
| 600 | Y | A | 0.7935 | |
| 601 | L | A | 0.0000 | |
| 602 | R | A | -3.0138 | |
| 603 | F | A | 0.0000 | |
| 604 | D | A | -4.3382 | |
| 605 | A | A | 0.0000 | |
| 606 | E | A | -3.3886 | |
| 607 | I | A | -0.9941 | |
| 608 | T | A | 0.0000 | |
| 609 | I | A | 1.2451 | |
| 610 | L | A | 0.0000 | |
| 611 | T | A | 0.1146 | |
| 612 | G | A | 0.0000 | |
| 613 | S | A | -0.3401 | |
| 614 | G | A | 0.0000 | |
| 615 | E | A | -0.6266 | |
| 616 | L | A | 0.0000 | |
| 617 | D | A | -0.2751 | |
| 618 | L | A | 0.0000 | |
| 619 | S | A | 0.0000 | |
| 620 | N | A | -2.1335 | |
| 621 | N | A | 0.0000 | |
| 622 | C | A | -0.3017 | |
| 623 | L | A | 0.0000 | |
| 624 | G | A | -0.0526 | |
| 625 | D | A | -1.2075 | |
| 626 | A | A | -0.5031 | |
| 627 | G | A | 0.0000 | |
| 628 | I | A | 0.0000 | |
| 629 | L | A | -0.6382 | |
| 630 | Q | A | -1.2018 | |
| 631 | L | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | E | A | -2.5398 | |
| 634 | S | A | 0.0000 | |
| 635 | V | A | 0.0000 | |
| 636 | R | A | -2.7491 | |
| 637 | G | A | -1.2201 | |
| 638 | S | A | 0.0000 | |
| 639 | G | A | 0.0000 | |
| 640 | L | A | -0.0044 | |
| 641 | F | A | 0.0000 | |
| 642 | T | A | 0.0000 | |
| 643 | Y | A | 0.5962 | |
| 644 | L | A | 0.0000 | |
| 645 | R | A | -2.8832 | |
| 646 | F | A | 0.0000 | |
| 647 | D | A | -4.4382 | |
| 648 | A | A | 0.0000 | |
| 649 | E | A | -3.2029 | |
| 650 | I | A | -0.7230 | |
| 651 | T | A | 0.0000 | |
| 652 | I | A | 1.7745 | |
| 653 | L | A | 0.0000 | |
| 654 | T | A | 0.5014 | |
| 655 | G | A | -0.0892 | |
| 656 | S | A | -0.7881 | |
| 657 | G | A | 0.0000 | |
| 658 | Q | A | -1.2000 | |
| 659 | L | A | 0.0000 | |
| 660 | V | A | 0.0000 | |
| 661 | L | A | 0.0000 | |
| 662 | Y | A | -0.0196 | |
| 663 | D | A | -1.4525 | |
| 664 | I | A | 0.0000 | |
| 665 | Y | A | 0.6103 | |
| 666 | W | A | -0.5302 | |
| 667 | S | A | -1.9322 | |
| 668 | E | A | -3.5261 | |
| 669 | E | A | -3.9337 | |
| 670 | M | A | 0.0000 | |
| 671 | E | A | -3.4264 | |
| 672 | D | A | -4.1081 | |
| 673 | R | A | -3.6639 | |
| 674 | L | A | 0.0000 | |
| 675 | Q | A | -3.2808 | |
| 676 | A | A | -2.8112 | |
| 677 | L | A | 0.0000 | |
| 678 | E | A | -3.3473 | |
| 679 | K | A | -3.6845 | |
| 680 | D | A | -3.4111 | |
| 681 | G | A | -2.5640 | |
| 682 | S | A | -1.6891 | |
| 683 | G | A | -2.0703 | |
| 684 | L | A | 0.0000 | |
| 685 | F | A | 0.3759 | |
| 686 | T | A | 0.5798 | |
| 687 | Y | A | 1.1060 | |
| 688 | L | A | -0.1239 | |
| 689 | R | A | -2.1610 | |
| 690 | F | A | -2.1482 | |
| 691 | D | A | -3.2575 | |
| 692 | A | A | -2.6307 | |
| 693 | E | A | -2.2388 | |
| 694 | I | A | 0.2287 | |
| 695 | T | A | 0.8791 | |
| 696 | I | A | 2.3321 | |
| 697 | L | A | 1.9145 | |
| 698 | T | A | 0.6421 | |
| 699 | G | A | -0.3349 | |
| 700 | S | A | -1.5610 | |
| 701 | G | A | -2.0401 | |
| 702 | R | A | -2.5749 | |
| 703 | V | A | -1.0331 | |
| 704 | I | A | -0.1182 | |
| 705 | S | A | -0.1186 |
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, -0.5942 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 | -0.5942 | View | CSV | PDB |
| model_6 | -0.618 | View | CSV | PDB |
| model_1 | -0.6204 | View | CSV | PDB |
| model_11 | -0.6338 | View | CSV | PDB |
| model_9 | -0.6364 | View | CSV | PDB |
| model_10 | -0.6391 | View | CSV | PDB |
| model_4 | -0.6489 | View | CSV | PDB |
| CABS_average | -0.6551 | View | CSV | PDB |
| model_0 | -0.6592 | View | CSV | PDB |
| model_3 | -0.6655 | View | CSV | PDB |
| model_2 | -0.6666 | View | CSV | PDB |
| model_7 | -0.6831 | View | CSV | PDB |
| model_8 | -0.6926 | View | CSV | PDB |
| model_5 | -0.6974 | 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