Project name: C05_A71_EF_A4_EF_GSG
Status: done
Started: 2026-07-21 11:02:46
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGTEDSHPPYKQTQPGAGSGVRLDDCGLTEARCKDISSALRVGSGTEDSHPPYKQTQPGAGSGELNLRSNELGDVGVHCVLQGLQGSGTEDSHPPYKQTQPGAGSGKLSLQNCCLTGAGCGVLSSTLRTGSGTEDSHPPYKQTQPGAGSGELHLSDNLLGDAGLQLLCEGLLGSGTEDSHPPYKQTQPGAGSGKLQLEYCSLSAASCEPLASVLRAGSGTEDSHPPYKQTQPGAGSGELTVSNNDINEAGVRVLCQGLKDGSGTEDSHPPYKQTQPGAGSGALKLESCGVTSDNCRDLCGIVASGSGTEDSHPPYKQTQPGAGSGELALGSNKLGDVGMAELCPGLLGSGSERSKPNNPAQYPAFSVTNPGGSGTLWIWECGITAKGCGDLCRVLRAGSGSERSKPNNPAQYPAFSVTNPGGSGELSLAGNELGDEGARLLCETLLGSGSERSKPNNPAQYPAFSVTNPGGSGSLWVKSCSFTAACCSHFSSVLAQGSGSERSKPNNPAQYPAFSVTNPGGSGELQISNNRLEDAGVRELCQGLGGSGSERSKPNNPAQYPAFSVTNPGGSGVLWLADCDVSDSSCSSLAATLLAGSGSERSKPNNPAQYPAFSVTNPGGSGELDLSNNCLGDAGILQLVESVRGSGSERSKPNNPAQYPAFSVTNPGGSGQLVLYDIYWSEEMEDRLQALEKDGSGSERSKPNNPAQYPAFSVTNPGGSGRVIS
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 (00:11:04)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:55:06)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:55:14)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:55:22)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:55:28)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:55:36)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:55:45)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:55:53)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:56:00)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:56:07)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:56:15)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:56:22)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:56:30)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:56:37)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:56:55)
[INFO] Main: Simulation completed successfully. (02:57:03)
|
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
- -3.844
- Maximal score value
- 2.0479
- Average score
- -0.7662
- Total score value
- -576.9386
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 | 0.0318 | |
| 2 | L | A | 1.4042 | |
| 3 | D | A | 1.0263 | |
| 4 | I | A | 2.0479 | |
| 5 | Q | A | 0.0000 | |
| 6 | S | A | -0.1282 | |
| 7 | L | A | -0.6826 | |
| 8 | D | A | -2.2189 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -3.1734 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.6473 | |
| 13 | E | A | -3.1495 | |
| 14 | L | A | -2.5416 | |
| 15 | S | A | -1.7849 | |
| 16 | D | A | -1.8287 | |
| 17 | A | A | -1.6166 | |
| 18 | R | A | -2.6709 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.3986 | |
| 21 | E | A | -2.0814 | |
| 22 | L | A | -0.9919 | |
| 23 | L | A | -0.2047 | |
| 24 | P | A | 0.0195 | |
| 25 | L | A | 0.7271 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.1717 | |
| 28 | G | A | -0.1985 | |
| 29 | S | A | -0.1253 | |
| 30 | G | A | -0.8592 | |
| 31 | T | A | -0.9833 | |
| 32 | E | A | -2.0668 | |
| 33 | D | A | -1.4248 | |
| 34 | S | A | -1.1907 | |
| 35 | H | A | -1.2838 | |
| 36 | P | A | -1.0734 | |
| 37 | P | A | -0.7859 | |
| 38 | Y | A | -0.7731 | |
| 39 | K | A | -1.7644 | |
| 40 | Q | A | -1.2127 | |
| 41 | T | A | -0.6675 | |
| 42 | Q | A | 0.0000 | |
| 43 | P | A | 0.1618 | |
| 44 | G | A | 0.0000 | |
| 45 | A | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | S | A | 0.0461 | |
| 48 | G | A | -0.4189 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -2.1720 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -2.8795 | |
| 53 | D | A | -3.5952 | |
| 54 | C | A | 0.0000 | |
| 55 | G | A | -2.3014 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -1.3188 | |
| 58 | E | A | -1.6304 | |
| 59 | A | A | -1.3299 | |
| 60 | R | A | 0.0000 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.2043 | |
| 63 | D | A | -1.7440 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | S | A | -1.0527 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | -0.7140 | |
| 69 | R | A | -1.5042 | |
| 70 | V | A | 0.4873 | |
| 71 | G | A | -0.2701 | |
| 72 | S | A | -0.5529 | |
| 73 | G | A | -1.2242 | |
| 74 | T | A | -1.4412 | |
| 75 | E | A | -2.3817 | |
| 76 | D | A | -1.9253 | |
| 77 | S | A | -1.4077 | |
| 78 | H | A | -1.6413 | |
| 79 | P | A | -1.3281 | |
| 80 | P | A | -1.2651 | |
| 81 | Y | A | 0.0000 | |
| 82 | K | A | -1.9424 | |
| 83 | Q | A | 0.0000 | |
| 84 | T | A | -0.6163 | |
| 85 | Q | A | 0.0000 | |
| 86 | P | A | -0.2937 | |
| 87 | G | A | -0.5307 | |
| 88 | A | A | 0.0767 | |
| 89 | G | A | -0.5975 | |
| 90 | S | A | -0.2801 | |
| 91 | G | A | -0.4033 | |
| 92 | E | A | -0.8421 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -2.4616 | |
| 97 | S | A | -2.2314 | |
| 98 | N | A | -2.2672 | |
| 99 | E | A | -1.9867 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -0.5974 | |
| 102 | D | A | -0.0623 | |
| 103 | V | A | 0.8820 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.3917 | |
| 107 | C | A | -0.7982 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -1.7667 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | -0.7908 | |
| 113 | Q | A | -1.5193 | |
| 114 | G | A | -1.3599 | |
| 115 | S | A | -0.9299 | |
| 116 | G | A | -1.2708 | |
| 117 | T | A | -0.9753 | |
| 118 | E | A | 0.0000 | |
| 119 | D | A | 0.0000 | |
| 120 | S | A | -1.3926 | |
| 121 | H | A | 0.0000 | |
| 122 | P | A | -1.1169 | |
| 123 | P | A | -0.7408 | |
| 124 | Y | A | -0.3198 | |
| 125 | K | A | -1.7879 | |
| 126 | Q | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | Q | A | -1.2336 | |
| 129 | P | A | -0.8177 | |
| 130 | G | A | -0.7568 | |
| 131 | A | A | -0.6030 | |
| 132 | G | A | -0.7169 | |
| 133 | S | A | -0.7353 | |
| 134 | G | A | -0.7464 | |
| 135 | K | A | -0.7755 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.1729 | |
| 140 | N | A | -1.0317 | |
| 141 | C | A | -0.2452 | |
| 142 | C | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | 0.1546 | |
| 145 | G | A | 0.0786 | |
| 146 | A | A | 0.1615 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | G | A | -0.1131 | |
| 150 | V | A | -0.2633 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | -0.5768 | |
| 153 | S | A | -0.9835 | |
| 154 | T | A | 0.0000 | |
| 155 | L | A | -0.9834 | |
| 156 | R | A | -2.1010 | |
| 157 | T | A | -1.4455 | |
| 158 | G | A | -1.4147 | |
| 159 | S | A | -1.2386 | |
| 160 | G | A | -1.6585 | |
| 161 | T | A | -1.5518 | |
| 162 | E | A | -2.0942 | |
| 163 | D | A | -2.0798 | |
| 164 | S | A | -1.1750 | |
| 165 | H | A | -1.1145 | |
| 166 | P | A | -0.5459 | |
| 167 | P | A | -0.6338 | |
| 168 | Y | A | -0.9836 | |
| 169 | K | A | -1.3494 | |
| 170 | Q | A | -1.6082 | |
| 171 | T | A | -0.9561 | |
| 172 | Q | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | G | A | -0.8336 | |
| 175 | A | A | -0.3667 | |
| 176 | G | A | -0.2591 | |
| 177 | S | A | -0.6020 | |
| 178 | G | A | -0.5598 | |
| 179 | E | A | -0.6691 | |
| 180 | L | A | -0.2047 | |
| 181 | H | A | -0.4476 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | D | A | 0.0059 | |
| 185 | N | A | -0.2895 | |
| 186 | L | A | 1.2095 | |
| 187 | L | A | 0.0000 | |
| 188 | G | A | -0.1263 | |
| 189 | D | A | -0.4555 | |
| 190 | A | A | 0.1059 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | -0.0085 | |
| 193 | Q | A | -0.6060 | |
| 194 | L | A | 0.0262 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | -0.3386 | |
| 197 | E | A | -1.5355 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | -0.2604 | |
| 200 | L | A | -0.4954 | |
| 201 | G | A | -1.1941 | |
| 202 | S | A | -0.9762 | |
| 203 | G | A | 0.0000 | |
| 204 | T | A | -1.0393 | |
| 205 | E | A | -2.2307 | |
| 206 | D | A | 0.0000 | |
| 207 | S | A | -0.7543 | |
| 208 | H | A | 0.0000 | |
| 209 | P | A | -0.2519 | |
| 210 | P | A | -0.1997 | |
| 211 | Y | A | 0.0599 | |
| 212 | K | A | -1.3879 | |
| 213 | Q | A | 0.0000 | |
| 214 | T | A | -0.7410 | |
| 215 | Q | A | 0.0000 | |
| 216 | P | A | -0.5857 | |
| 217 | G | A | 0.0000 | |
| 218 | A | A | -0.3255 | |
| 219 | G | A | -0.4987 | |
| 220 | S | A | -0.6238 | |
| 221 | G | A | -0.5150 | |
| 222 | K | A | -0.4148 | |
| 223 | L | A | -0.0084 | |
| 224 | Q | A | -0.3073 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -1.0974 | |
| 227 | Y | A | -0.1948 | |
| 228 | C | A | 0.0000 | |
| 229 | S | A | -1.0946 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.0969 | |
| 232 | A | A | -0.9360 | |
| 233 | A | A | -0.7160 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -1.9716 | |
| 237 | P | A | -1.2466 | |
| 238 | L | A | -0.8311 | |
| 239 | A | A | -1.7247 | |
| 240 | S | A | -1.3814 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | -1.4212 | |
| 243 | R | A | -2.6500 | |
| 244 | A | A | -1.5913 | |
| 245 | G | A | -1.5926 | |
| 246 | S | A | -0.7704 | |
| 247 | G | A | -0.6609 | |
| 248 | T | A | 0.0000 | |
| 249 | E | A | -2.0618 | |
| 250 | D | A | 0.0000 | |
| 251 | S | A | -1.3888 | |
| 252 | H | A | -0.8980 | |
| 253 | P | A | -0.6911 | |
| 254 | P | A | -0.6951 | |
| 255 | Y | A | 0.0000 | |
| 256 | K | A | 0.0000 | |
| 257 | Q | A | -1.4090 | |
| 258 | T | A | 0.0000 | |
| 259 | Q | A | 0.0000 | |
| 260 | P | A | -0.6825 | |
| 261 | G | A | -0.4971 | |
| 262 | A | A | -0.4978 | |
| 263 | G | A | -0.5496 | |
| 264 | S | A | -0.4702 | |
| 265 | G | A | -0.5091 | |
| 266 | E | A | 0.0000 | |
| 267 | L | A | 0.0395 | |
| 268 | T | A | -0.3151 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | -1.0246 | |
| 271 | N | A | -1.4432 | |
| 272 | N | A | 0.0000 | |
| 273 | D | A | -2.4921 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -2.2399 | |
| 276 | E | A | -1.9228 | |
| 277 | A | A | -1.1583 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -1.5955 | |
| 281 | V | A | -1.2877 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.3986 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | -1.7879 | |
| 287 | K | A | -2.5175 | |
| 288 | D | A | -3.2033 | |
| 289 | G | A | -2.5822 | |
| 290 | S | A | -1.5343 | |
| 291 | G | A | -1.2375 | |
| 292 | T | A | -1.1898 | |
| 293 | E | A | 0.0000 | |
| 294 | D | A | -2.4193 | |
| 295 | S | A | -1.6930 | |
| 296 | H | A | -1.3342 | |
| 297 | P | A | -1.0344 | |
| 298 | P | A | -0.6815 | |
| 299 | Y | A | -0.6409 | |
| 300 | K | A | -1.7398 | |
| 301 | Q | A | 0.0000 | |
| 302 | T | A | -1.1138 | |
| 303 | Q | A | -1.0303 | |
| 304 | P | A | -0.8874 | |
| 305 | G | A | -0.8708 | |
| 306 | A | A | -0.6688 | |
| 307 | G | A | -0.7275 | |
| 308 | S | A | -0.5576 | |
| 309 | G | A | -0.7170 | |
| 310 | A | A | -0.4855 | |
| 311 | L | A | -0.1836 | |
| 312 | K | A | -0.3444 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -0.9238 | |
| 315 | S | A | -1.2892 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -1.3064 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | -0.6332 | |
| 320 | S | A | -0.7437 | |
| 321 | D | A | -1.4194 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.0011 | |
| 325 | D | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | G | A | -0.7047 | |
| 329 | I | A | -0.5997 | |
| 330 | V | A | -0.3163 | |
| 331 | A | A | -0.2962 | |
| 332 | S | A | -0.6381 | |
| 333 | G | A | -0.7393 | |
| 334 | S | A | -0.7440 | |
| 335 | G | A | -0.9539 | |
| 336 | T | A | 0.0000 | |
| 337 | E | A | -1.2034 | |
| 338 | D | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | H | A | -1.3761 | |
| 341 | P | A | -1.0329 | |
| 342 | P | A | -0.6636 | |
| 343 | Y | A | -0.4650 | |
| 344 | K | A | -1.5762 | |
| 345 | Q | A | -1.2952 | |
| 346 | T | A | 0.0000 | |
| 347 | Q | A | -1.5413 | |
| 348 | P | A | 0.0000 | |
| 349 | G | A | -0.9284 | |
| 350 | A | A | -0.5627 | |
| 351 | G | A | 0.0000 | |
| 352 | S | A | -0.8131 | |
| 353 | G | A | -0.7037 | |
| 354 | E | A | -0.7826 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | N | A | -1.4895 | |
| 361 | K | A | 0.0000 | |
| 362 | L | A | 0.0298 | |
| 363 | G | A | -0.2101 | |
| 364 | D | A | -0.3829 | |
| 365 | V | A | 0.9441 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.4692 | |
| 369 | E | A | -1.2107 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | -0.5911 | |
| 372 | P | A | -0.8228 | |
| 373 | G | A | 0.0000 | |
| 374 | L | A | -0.2289 | |
| 375 | L | A | -0.5705 | |
| 376 | G | A | -0.5953 | |
| 377 | S | A | -0.6060 | |
| 378 | G | A | -0.8236 | |
| 379 | S | A | -1.0457 | |
| 380 | E | A | -1.5663 | |
| 381 | R | A | 0.0000 | |
| 382 | S | A | -1.2516 | |
| 383 | K | A | -1.2589 | |
| 384 | P | A | -1.1832 | |
| 385 | N | A | -1.2658 | |
| 386 | N | A | -0.7144 | |
| 387 | P | A | -0.7115 | |
| 388 | A | A | -0.9206 | |
| 389 | Q | A | -0.7203 | |
| 390 | Y | A | 0.4359 | |
| 391 | P | A | 0.2056 | |
| 392 | A | A | 0.2797 | |
| 393 | F | A | 0.0000 | |
| 394 | S | A | -0.0985 | |
| 395 | V | A | -0.3730 | |
| 396 | T | A | -0.8616 | |
| 397 | N | A | -1.1550 | |
| 398 | P | A | 0.0000 | |
| 399 | G | A | -1.1020 | |
| 400 | G | A | -1.0114 | |
| 401 | S | A | 0.0000 | |
| 402 | G | A | -0.6648 | |
| 403 | T | A | -0.4969 | |
| 404 | L | A | 0.0000 | |
| 405 | W | A | 0.3701 | |
| 406 | I | A | 0.0000 | |
| 407 | W | A | -0.3922 | |
| 408 | E | A | -1.5797 | |
| 409 | C | A | 0.0000 | |
| 410 | G | A | -1.1163 | |
| 411 | I | A | 0.0000 | |
| 412 | T | A | -1.5362 | |
| 413 | A | A | -1.7630 | |
| 414 | K | A | -2.0325 | |
| 415 | G | A | 0.0000 | |
| 416 | C | A | 0.0000 | |
| 417 | G | A | -1.6493 | |
| 418 | D | A | -1.8434 | |
| 419 | L | A | 0.0000 | |
| 420 | C | A | 0.0000 | |
| 421 | R | A | -2.4713 | |
| 422 | V | A | 0.0000 | |
| 423 | L | A | -1.3862 | |
| 424 | R | A | -2.3504 | |
| 425 | A | A | -1.6851 | |
| 426 | G | A | -1.6539 | |
| 427 | S | A | -1.5230 | |
| 428 | G | A | -1.4766 | |
| 429 | S | A | -1.4706 | |
| 430 | E | A | 0.0000 | |
| 431 | R | A | -2.6647 | |
| 432 | S | A | -2.0768 | |
| 433 | K | A | -2.1599 | |
| 434 | P | A | -1.8668 | |
| 435 | N | A | -2.3163 | |
| 436 | N | A | -2.4199 | |
| 437 | P | A | -1.2898 | |
| 438 | A | A | -0.6999 | |
| 439 | Q | A | -0.4263 | |
| 440 | Y | A | 0.2601 | |
| 441 | P | A | 0.3555 | |
| 442 | A | A | 0.2768 | |
| 443 | F | A | 0.0000 | |
| 444 | S | A | -0.0718 | |
| 445 | V | A | 0.0000 | |
| 446 | T | A | -0.6359 | |
| 447 | N | A | 0.0000 | |
| 448 | P | A | -0.8089 | |
| 449 | G | A | 0.0000 | |
| 450 | G | A | -0.9146 | |
| 451 | S | A | -0.8362 | |
| 452 | G | A | -0.7374 | |
| 453 | E | A | -0.6409 | |
| 454 | L | A | 0.0814 | |
| 455 | S | A | 0.2459 | |
| 456 | L | A | 0.0000 | |
| 457 | A | A | -0.5501 | |
| 458 | G | A | -1.2034 | |
| 459 | N | A | 0.0000 | |
| 460 | E | A | -2.4897 | |
| 461 | L | A | 0.0000 | |
| 462 | G | A | -1.7315 | |
| 463 | D | A | -2.0267 | |
| 464 | E | A | -2.6904 | |
| 465 | G | A | 0.0000 | |
| 466 | A | A | 0.0000 | |
| 467 | R | A | -2.0439 | |
| 468 | L | A | -0.7962 | |
| 469 | L | A | 0.0000 | |
| 470 | C | A | 0.0000 | |
| 471 | E | A | -0.4821 | |
| 472 | T | A | 0.0000 | |
| 473 | L | A | 0.2543 | |
| 474 | L | A | 0.5206 | |
| 475 | G | A | -0.1467 | |
| 476 | S | A | -0.7353 | |
| 477 | G | A | -1.1915 | |
| 478 | S | A | -1.4312 | |
| 479 | E | A | -1.8268 | |
| 480 | R | A | -1.9777 | |
| 481 | S | A | -1.6062 | |
| 482 | K | A | -2.6114 | |
| 483 | P | A | -1.6054 | |
| 484 | N | A | -1.2845 | |
| 485 | N | A | -0.9649 | |
| 486 | P | A | -0.5264 | |
| 487 | A | A | -0.1894 | |
| 488 | Q | A | 0.3045 | |
| 489 | Y | A | 1.3734 | |
| 490 | P | A | 0.0000 | |
| 491 | A | A | 0.3589 | |
| 492 | F | A | 0.0000 | |
| 493 | S | A | -0.4494 | |
| 494 | V | A | 0.0000 | |
| 495 | T | A | -0.8089 | |
| 496 | N | A | 0.0000 | |
| 497 | P | A | -0.5507 | |
| 498 | G | A | -0.8740 | |
| 499 | G | A | -0.7666 | |
| 500 | S | A | -0.7319 | |
| 501 | G | A | -0.5044 | |
| 502 | S | A | -0.3377 | |
| 503 | L | A | 0.0000 | |
| 504 | W | A | 0.3514 | |
| 505 | V | A | 0.0000 | |
| 506 | K | A | -1.1220 | |
| 507 | S | A | -1.8069 | |
| 508 | C | A | 0.0000 | |
| 509 | S | A | -1.7854 | |
| 510 | F | A | 0.0000 | |
| 511 | T | A | -1.4180 | |
| 512 | A | A | -1.3634 | |
| 513 | A | A | -0.9440 | |
| 514 | C | A | 0.0000 | |
| 515 | C | A | 0.0000 | |
| 516 | S | A | -0.9019 | |
| 517 | H | A | -0.6664 | |
| 518 | F | A | 0.0000 | |
| 519 | S | A | -0.9850 | |
| 520 | S | A | -0.5372 | |
| 521 | V | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | A | A | -0.7713 | |
| 524 | Q | A | -0.9010 | |
| 525 | G | A | -0.9815 | |
| 526 | S | A | -1.0605 | |
| 527 | G | A | -1.2747 | |
| 528 | S | A | 0.0000 | |
| 529 | E | A | -1.9669 | |
| 530 | R | A | -2.2019 | |
| 531 | S | A | -1.6081 | |
| 532 | K | A | -1.3510 | |
| 533 | P | A | 0.0000 | |
| 534 | N | A | -1.2951 | |
| 535 | N | A | -1.0188 | |
| 536 | P | A | -0.6328 | |
| 537 | A | A | -0.0557 | |
| 538 | Q | A | 0.0331 | |
| 539 | Y | A | 0.7883 | |
| 540 | P | A | 0.7740 | |
| 541 | A | A | 0.0000 | |
| 542 | F | A | 0.0000 | |
| 543 | S | A | -0.2384 | |
| 544 | V | A | 0.0000 | |
| 545 | T | A | -0.6539 | |
| 546 | N | A | 0.0000 | |
| 547 | P | A | -0.8456 | |
| 548 | G | A | -0.9518 | |
| 549 | G | A | -0.8604 | |
| 550 | S | A | -0.6048 | |
| 551 | G | A | -0.7999 | |
| 552 | E | A | -0.4806 | |
| 553 | L | A | 0.0000 | |
| 554 | Q | A | -0.1003 | |
| 555 | I | A | 0.0000 | |
| 556 | S | A | -1.2147 | |
| 557 | N | A | -2.3713 | |
| 558 | N | A | -2.8573 | |
| 559 | R | A | -3.4260 | |
| 560 | L | A | 0.0000 | |
| 561 | E | A | -3.2484 | |
| 562 | D | A | -2.5095 | |
| 563 | A | A | -1.5313 | |
| 564 | G | A | 0.0000 | |
| 565 | V | A | 0.0000 | |
| 566 | R | A | -2.3234 | |
| 567 | E | A | -2.0574 | |
| 568 | L | A | 0.0000 | |
| 569 | C | A | 0.0000 | |
| 570 | Q | A | -1.5736 | |
| 571 | G | A | -1.1702 | |
| 572 | L | A | -0.8828 | |
| 573 | G | A | 0.0000 | |
| 574 | G | A | -0.8297 | |
| 575 | S | A | -0.9719 | |
| 576 | G | A | -0.8378 | |
| 577 | S | A | -1.0509 | |
| 578 | E | A | -1.8639 | |
| 579 | R | A | -2.5833 | |
| 580 | S | A | -1.8135 | |
| 581 | K | A | -2.2142 | |
| 582 | P | A | -1.6495 | |
| 583 | N | A | -2.1447 | |
| 584 | N | A | -1.3741 | |
| 585 | P | A | -1.1616 | |
| 586 | A | A | -1.3486 | |
| 587 | Q | A | -1.5889 | |
| 588 | Y | A | 0.0000 | |
| 589 | P | A | -0.1722 | |
| 590 | A | A | 0.0679 | |
| 591 | F | A | 0.0000 | |
| 592 | S | A | 0.0267 | |
| 593 | V | A | 0.0000 | |
| 594 | T | A | -0.5891 | |
| 595 | N | A | 0.0000 | |
| 596 | P | A | 0.0000 | |
| 597 | G | A | -0.9915 | |
| 598 | G | A | -0.6927 | |
| 599 | S | A | -0.6333 | |
| 600 | G | A | -0.5541 | |
| 601 | V | A | 0.0000 | |
| 602 | L | A | 0.0000 | |
| 603 | W | A | 0.1924 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -1.3873 | |
| 606 | D | A | -2.9374 | |
| 607 | C | A | 0.0000 | |
| 608 | D | A | -2.8270 | |
| 609 | V | A | 0.0000 | |
| 610 | S | A | -1.5557 | |
| 611 | D | A | -2.1391 | |
| 612 | S | A | -1.3742 | |
| 613 | S | A | 0.0000 | |
| 614 | C | A | 0.0000 | |
| 615 | S | A | -0.7007 | |
| 616 | S | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | A | A | 0.0000 | |
| 619 | A | A | 0.2070 | |
| 620 | T | A | 0.0000 | |
| 621 | L | A | 0.0000 | |
| 622 | L | A | 1.0786 | |
| 623 | A | A | 0.1950 | |
| 624 | G | A | -0.2150 | |
| 625 | S | A | -0.0390 | |
| 626 | G | A | -0.7367 | |
| 627 | S | A | -1.4505 | |
| 628 | E | A | -1.9236 | |
| 629 | R | A | 0.0000 | |
| 630 | S | A | -1.2996 | |
| 631 | K | A | 0.0000 | |
| 632 | P | A | 0.0000 | |
| 633 | N | A | 0.0000 | |
| 634 | N | A | -1.5330 | |
| 635 | P | A | -0.9029 | |
| 636 | A | A | -0.7707 | |
| 637 | Q | A | -1.5167 | |
| 638 | Y | A | -0.8084 | |
| 639 | P | A | -0.3733 | |
| 640 | A | A | 0.0000 | |
| 641 | F | A | 0.8685 | |
| 642 | S | A | 0.1909 | |
| 643 | V | A | 0.0000 | |
| 644 | T | A | 0.0000 | |
| 645 | N | A | 0.0000 | |
| 646 | P | A | 0.0000 | |
| 647 | G | A | -0.5093 | |
| 648 | G | A | 0.0000 | |
| 649 | S | A | -0.4195 | |
| 650 | G | A | -0.3504 | |
| 651 | E | A | -0.2890 | |
| 652 | L | A | 0.0000 | |
| 653 | D | A | 0.0000 | |
| 654 | L | A | 0.0000 | |
| 655 | S | A | -0.8187 | |
| 656 | N | A | -1.5765 | |
| 657 | N | A | -1.7664 | |
| 658 | C | A | -1.5582 | |
| 659 | L | A | 0.0000 | |
| 660 | G | A | -1.0384 | |
| 661 | D | A | -1.6314 | |
| 662 | A | A | -1.0121 | |
| 663 | G | A | 0.0000 | |
| 664 | I | A | 0.0000 | |
| 665 | L | A | -0.4065 | |
| 666 | Q | A | -1.0509 | |
| 667 | L | A | 0.0000 | |
| 668 | V | A | 0.0000 | |
| 669 | E | A | -2.1598 | |
| 670 | S | A | 0.0000 | |
| 671 | V | A | 0.0000 | |
| 672 | R | A | -3.2437 | |
| 673 | G | A | -1.7329 | |
| 674 | S | A | -1.0883 | |
| 675 | G | A | -1.7371 | |
| 676 | S | A | -1.9780 | |
| 677 | E | A | -3.2271 | |
| 678 | R | A | -2.4252 | |
| 679 | S | A | -2.0052 | |
| 680 | K | A | -2.3639 | |
| 681 | P | A | -1.9575 | |
| 682 | N | A | -2.6706 | |
| 683 | N | A | -2.4362 | |
| 684 | P | A | -1.4217 | |
| 685 | A | A | -0.8861 | |
| 686 | Q | A | -1.2262 | |
| 687 | Y | A | -0.7106 | |
| 688 | P | A | -0.2778 | |
| 689 | A | A | 0.0000 | |
| 690 | F | A | 0.4614 | |
| 691 | S | A | -0.1330 | |
| 692 | V | A | 0.0000 | |
| 693 | T | A | 0.0000 | |
| 694 | N | A | 0.0000 | |
| 695 | P | A | 0.0000 | |
| 696 | G | A | 0.0000 | |
| 697 | G | A | 0.0000 | |
| 698 | S | A | 0.0000 | |
| 699 | G | A | 0.0000 | |
| 700 | Q | A | -0.1511 | |
| 701 | L | A | 0.0000 | |
| 702 | V | A | 0.4160 | |
| 703 | L | A | 0.0000 | |
| 704 | Y | A | -0.1143 | |
| 705 | D | A | -1.5723 | |
| 706 | I | A | 0.0000 | |
| 707 | Y | A | -0.0554 | |
| 708 | W | A | -0.6552 | |
| 709 | S | A | -1.5906 | |
| 710 | E | A | -3.2962 | |
| 711 | E | A | -3.6047 | |
| 712 | M | A | -2.2367 | |
| 713 | E | A | 0.0000 | |
| 714 | D | A | -3.3545 | |
| 715 | R | A | -3.2290 | |
| 716 | L | A | 0.0000 | |
| 717 | Q | A | -2.6181 | |
| 718 | A | A | -2.7147 | |
| 719 | L | A | 0.0000 | |
| 720 | E | A | -2.7055 | |
| 721 | K | A | -3.3803 | |
| 722 | D | A | -2.9870 | |
| 723 | G | A | -2.3004 | |
| 724 | S | A | -1.8378 | |
| 725 | G | A | -1.8002 | |
| 726 | S | A | -2.3222 | |
| 727 | E | A | -3.3438 | |
| 728 | R | A | -3.8440 | |
| 729 | S | A | -2.8865 | |
| 730 | K | A | -2.6607 | |
| 731 | P | A | -1.5197 | |
| 732 | N | A | -1.6352 | |
| 733 | N | A | -0.9162 | |
| 734 | P | A | -0.8903 | |
| 735 | A | A | -1.1049 | |
| 736 | Q | A | -1.2194 | |
| 737 | Y | A | -0.6223 | |
| 738 | P | A | -0.3973 | |
| 739 | A | A | -0.4962 | |
| 740 | F | A | -0.7218 | |
| 741 | S | A | -0.5056 | |
| 742 | V | A | 0.0000 | |
| 743 | T | A | 0.0975 | |
| 744 | N | A | -0.2423 | |
| 745 | P | A | -0.6237 | |
| 746 | G | A | -0.9489 | |
| 747 | G | A | -1.0544 | |
| 748 | S | A | -0.8240 | |
| 749 | G | A | -1.2929 | |
| 750 | R | A | -1.9327 | |
| 751 | V | A | 0.0000 | |
| 752 | I | A | 1.0814 | |
| 753 | S | A | 0.1756 |
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, -0.7662 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_9 | -0.7662 | View | CSV | PDB |
| model_3 | -0.7953 | View | CSV | PDB |
| model_0 | -0.7998 | View | CSV | PDB |
| model_7 | -0.8113 | View | CSV | PDB |
| model_6 | -0.8223 | View | CSV | PDB |
| model_8 | -0.8236 | View | CSV | PDB |
| CABS_average | -0.8288 | View | CSV | PDB |
| model_5 | -0.8298 | View | CSV | PDB |
| model_10 | -0.8482 | View | CSV | PDB |
| model_1 | -0.8494 | View | CSV | PDB |
| model_2 | -0.8589 | View | CSV | PDB |
| model_11 | -0.8679 | View | CSV | PDB |
| model_4 | -0.8726 | View | CSV | PDB |
| input | -1.1099 | 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