Project name: C43_E11_EF_DIRECT
Status: done
Started: 2026-07-21 11:00:26
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEALKLESCGVTSDNCRDLCGIVASPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELALGSNKLGDVGMAELCPGLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTETLWIWECGITAKGCGDLCRVLRAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELSLAGNELGDEGARLLCETLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTESLWVKSCSFTAACCSHFSSVLAQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELQISNNRLEDAGVRELCQGLGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEVLWLADCDVSDSSCSSLAATLLAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELDLSNNCLGDAGILQLVESVRPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEQLVLYDIYWSEEMEDRLQALEKDPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTERVIS
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 (00:13:48)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:05:36)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:05:47)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:05:58)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:06:08)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:06:19)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:06:30)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:06:40)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:06:51)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:07:02)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:07:13)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:07:24)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:07:35)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:07:45)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:08:10)
[INFO] Main: Simulation completed successfully. (04:08:22)
|
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
- -4.034
- Maximal score value
- 2.9775
- Average score
- -0.3333
- Total score value
- -320.29
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 | 0.1305 | |
| 2 | L | A | 0.5972 | |
| 3 | D | A | -1.1801 | |
| 4 | I | A | -0.5232 | |
| 5 | Q | A | -1.5416 | |
| 6 | S | A | -1.3266 | |
| 7 | L | A | -1.0480 | |
| 8 | D | A | -2.2751 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.2574 | |
| 11 | C | A | -1.1591 | |
| 12 | E | A | -1.9998 | |
| 13 | E | A | -2.8733 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.1057 | |
| 16 | D | A | -2.5443 | |
| 17 | A | A | -1.6732 | |
| 18 | R | A | -2.1847 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4743 | |
| 21 | E | A | -2.1277 | |
| 22 | L | A | -0.8998 | |
| 23 | L | A | -0.5098 | |
| 24 | P | A | -0.4633 | |
| 25 | L | A | 0.1638 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.3807 | |
| 28 | P | A | 0.2559 | |
| 29 | P | A | 0.3505 | |
| 30 | L | A | 1.2036 | |
| 31 | T | A | 0.4691 | |
| 32 | H | A | -0.4150 | |
| 33 | Q | A | 0.5088 | |
| 34 | V | A | 1.9288 | |
| 35 | M | A | 1.8812 | |
| 36 | Y | A | 2.1639 | |
| 37 | I | A | 1.6991 | |
| 38 | P | A | 0.5034 | |
| 39 | P | A | -0.3165 | |
| 40 | G | A | -0.3555 | |
| 41 | G | A | 0.4006 | |
| 42 | P | A | 0.5242 | |
| 43 | I | A | 1.5160 | |
| 44 | P | A | 0.0639 | |
| 45 | K | A | -1.4219 | |
| 46 | S | A | -0.9225 | |
| 47 | T | A | -0.7199 | |
| 48 | T | A | -0.5440 | |
| 49 | D | A | -0.4513 | |
| 50 | Y | A | 0.6572 | |
| 51 | A | A | 0.9877 | |
| 52 | W | A | 1.4931 | |
| 53 | Q | A | 0.0000 | |
| 54 | T | A | 0.6934 | |
| 55 | S | A | -0.0330 | |
| 56 | T | A | -0.9511 | |
| 57 | N | A | -1.5722 | |
| 58 | P | A | -0.8560 | |
| 59 | S | A | 0.1856 | |
| 60 | I | A | 1.1854 | |
| 61 | F | A | 2.2691 | |
| 62 | W | A | 0.7770 | |
| 63 | T | A | -0.2649 | |
| 64 | E | A | -1.5464 | |
| 65 | V | A | -1.0453 | |
| 66 | R | A | -1.8960 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | 0.0000 | |
| 69 | D | A | -2.5745 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -1.9364 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.5275 | |
| 74 | E | A | -1.9250 | |
| 75 | A | A | -1.0735 | |
| 76 | R | A | -1.5980 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.2352 | |
| 79 | D | A | -1.5796 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -1.1260 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | -0.7797 | |
| 85 | R | A | -1.3205 | |
| 86 | V | A | 0.3081 | |
| 87 | P | A | 0.3303 | |
| 88 | P | A | 0.7731 | |
| 89 | L | A | 1.4966 | |
| 90 | T | A | 0.2397 | |
| 91 | H | A | -0.2588 | |
| 92 | Q | A | -0.2134 | |
| 93 | V | A | 0.7343 | |
| 94 | M | A | 0.7820 | |
| 95 | Y | A | 1.0688 | |
| 96 | I | A | 0.9975 | |
| 97 | P | A | 0.2730 | |
| 98 | P | A | -0.4102 | |
| 99 | G | A | -0.4119 | |
| 100 | G | A | 0.1384 | |
| 101 | P | A | 0.2033 | |
| 102 | I | A | 1.1413 | |
| 103 | P | A | -0.3458 | |
| 104 | K | A | -1.6188 | |
| 105 | S | A | -1.1364 | |
| 106 | T | A | -0.6869 | |
| 107 | T | A | -0.8369 | |
| 108 | D | A | -0.9279 | |
| 109 | Y | A | -0.4551 | |
| 110 | A | A | 0.4419 | |
| 111 | W | A | 0.8195 | |
| 112 | Q | A | 0.0000 | |
| 113 | T | A | 0.2602 | |
| 114 | S | A | -0.3334 | |
| 115 | T | A | -0.8333 | |
| 116 | N | A | -1.1719 | |
| 117 | P | A | -0.7312 | |
| 118 | S | A | -0.1811 | |
| 119 | I | A | 0.9498 | |
| 120 | F | A | 1.6390 | |
| 121 | W | A | 1.0158 | |
| 122 | T | A | -0.0298 | |
| 123 | E | A | -1.0111 | |
| 124 | E | A | -1.2212 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.2552 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.2234 | |
| 129 | S | A | -1.9227 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.5312 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.4978 | |
| 134 | D | A | 0.0817 | |
| 135 | V | A | 0.9402 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.3386 | |
| 139 | C | A | -0.6818 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.3447 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.5507 | |
| 145 | Q | A | -0.9789 | |
| 146 | P | A | -0.1076 | |
| 147 | P | A | 0.4898 | |
| 148 | L | A | 1.0672 | |
| 149 | T | A | 0.2346 | |
| 150 | H | A | -0.7103 | |
| 151 | Q | A | -0.6662 | |
| 152 | V | A | 0.0199 | |
| 153 | M | A | 0.0000 | |
| 154 | Y | A | 0.5279 | |
| 155 | I | A | 0.0000 | |
| 156 | P | A | -0.0649 | |
| 157 | P | A | -0.5041 | |
| 158 | G | A | -0.4629 | |
| 159 | G | A | -0.0340 | |
| 160 | P | A | 0.1704 | |
| 161 | I | A | 1.0483 | |
| 162 | P | A | -0.3750 | |
| 163 | K | A | -1.5404 | |
| 164 | S | A | -1.0310 | |
| 165 | T | A | -0.7058 | |
| 166 | T | A | -1.0598 | |
| 167 | D | A | -1.0416 | |
| 168 | Y | A | -0.2699 | |
| 169 | A | A | 0.3121 | |
| 170 | W | A | 0.5851 | |
| 171 | Q | A | 0.0000 | |
| 172 | T | A | 0.2149 | |
| 173 | S | A | -0.2639 | |
| 174 | T | A | -0.6453 | |
| 175 | N | A | -1.0438 | |
| 176 | P | A | 0.0000 | |
| 177 | S | A | 0.1659 | |
| 178 | I | A | 0.9650 | |
| 179 | F | A | 1.2778 | |
| 180 | W | A | 0.5106 | |
| 181 | T | A | -0.5159 | |
| 182 | E | A | -1.4339 | |
| 183 | K | A | -1.4300 | |
| 184 | L | A | -0.7461 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.2612 | |
| 188 | N | A | -1.6288 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.0291 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.5443 | |
| 193 | G | A | 0.1419 | |
| 194 | A | A | 0.3474 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.2037 | |
| 198 | V | A | 0.2543 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | -0.5081 | |
| 201 | S | A | -0.7446 | |
| 202 | T | A | -0.7537 | |
| 203 | L | A | -0.5992 | |
| 204 | R | A | -1.6052 | |
| 205 | T | A | -0.6645 | |
| 206 | P | A | 0.0407 | |
| 207 | P | A | 0.5033 | |
| 208 | L | A | 1.3359 | |
| 209 | T | A | 0.0387 | |
| 210 | H | A | -0.8334 | |
| 211 | Q | A | -0.7323 | |
| 212 | V | A | -0.0442 | |
| 213 | M | A | 0.0000 | |
| 214 | Y | A | 0.5982 | |
| 215 | I | A | 0.0000 | |
| 216 | P | A | -0.1905 | |
| 217 | P | A | -0.5093 | |
| 218 | G | A | -0.5724 | |
| 219 | G | A | -0.1569 | |
| 220 | P | A | -0.2153 | |
| 221 | I | A | 0.1851 | |
| 222 | P | A | -0.8322 | |
| 223 | K | A | -1.8900 | |
| 224 | S | A | -1.2460 | |
| 225 | T | A | -0.8240 | |
| 226 | T | A | -0.8038 | |
| 227 | D | A | -1.2060 | |
| 228 | Y | A | -0.2644 | |
| 229 | A | A | 0.2475 | |
| 230 | W | A | 0.6222 | |
| 231 | Q | A | 0.0000 | |
| 232 | T | A | 0.2487 | |
| 233 | S | A | -0.2489 | |
| 234 | T | A | -0.7747 | |
| 235 | N | A | -1.2882 | |
| 236 | P | A | -0.5104 | |
| 237 | S | A | 0.2563 | |
| 238 | I | A | 1.3038 | |
| 239 | F | A | 1.4362 | |
| 240 | W | A | 0.5029 | |
| 241 | T | A | -0.5745 | |
| 242 | E | A | -1.4009 | |
| 243 | E | A | -1.3509 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -0.8990 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.7414 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4462 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0638 | |
| 253 | D | A | -0.5277 | |
| 254 | A | A | -0.3159 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -1.0862 | |
| 258 | L | A | -0.1881 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.3101 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.2559 | |
| 264 | L | A | 0.7729 | |
| 265 | P | A | 0.8297 | |
| 266 | P | A | 0.7223 | |
| 267 | L | A | 1.4099 | |
| 268 | T | A | 0.3705 | |
| 269 | H | A | -0.7792 | |
| 270 | Q | A | -0.6694 | |
| 271 | V | A | 0.0244 | |
| 272 | M | A | 0.0000 | |
| 273 | Y | A | 0.7389 | |
| 274 | I | A | 0.0000 | |
| 275 | P | A | -0.0635 | |
| 276 | P | A | -0.4762 | |
| 277 | G | A | -0.5517 | |
| 278 | G | A | -0.1727 | |
| 279 | P | A | -0.1853 | |
| 280 | I | A | 0.2793 | |
| 281 | P | A | -0.8007 | |
| 282 | K | A | -1.8507 | |
| 283 | S | A | -1.1486 | |
| 284 | T | A | -0.8605 | |
| 285 | T | A | -0.9944 | |
| 286 | D | A | -1.3007 | |
| 287 | Y | A | -0.5465 | |
| 288 | A | A | 0.2344 | |
| 289 | W | A | 0.6522 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.1796 | |
| 292 | S | A | -0.3882 | |
| 293 | T | A | -0.8549 | |
| 294 | N | A | -1.3271 | |
| 295 | P | A | -0.6199 | |
| 296 | S | A | 0.3268 | |
| 297 | I | A | 1.3984 | |
| 298 | F | A | 1.5365 | |
| 299 | W | A | 0.0000 | |
| 300 | T | A | -0.6010 | |
| 301 | E | A | -1.4692 | |
| 302 | K | A | -1.4190 | |
| 303 | L | A | -0.7960 | |
| 304 | Q | A | -0.7311 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.4082 | |
| 307 | Y | A | 0.4278 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.1449 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9767 | |
| 312 | A | A | -1.1438 | |
| 313 | A | A | -0.6457 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.0557 | |
| 317 | P | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -0.9008 | |
| 321 | V | A | -0.1116 | |
| 322 | L | A | -0.6069 | |
| 323 | R | A | -1.4667 | |
| 324 | A | A | -0.0918 | |
| 325 | P | A | 0.2370 | |
| 326 | P | A | 0.8297 | |
| 327 | L | A | 1.3481 | |
| 328 | T | A | 0.1735 | |
| 329 | H | A | -0.7373 | |
| 330 | Q | A | -0.8422 | |
| 331 | V | A | 0.0525 | |
| 332 | M | A | 0.0000 | |
| 333 | Y | A | 0.6901 | |
| 334 | I | A | 0.0000 | |
| 335 | P | A | -0.0500 | |
| 336 | P | A | -0.4998 | |
| 337 | G | A | -0.5712 | |
| 338 | G | A | -0.2035 | |
| 339 | P | A | -0.2713 | |
| 340 | I | A | 0.2435 | |
| 341 | P | A | -0.9092 | |
| 342 | K | A | -1.9284 | |
| 343 | S | A | -1.2606 | |
| 344 | T | A | -0.9131 | |
| 345 | T | A | -0.9154 | |
| 346 | D | A | -1.2963 | |
| 347 | Y | A | -0.4267 | |
| 348 | A | A | 0.2139 | |
| 349 | W | A | 0.6080 | |
| 350 | Q | A | 0.0000 | |
| 351 | T | A | 0.2454 | |
| 352 | S | A | -0.2759 | |
| 353 | T | A | -0.8216 | |
| 354 | N | A | -1.2724 | |
| 355 | P | A | -0.5422 | |
| 356 | S | A | 0.2310 | |
| 357 | I | A | 1.2838 | |
| 358 | F | A | 1.4753 | |
| 359 | W | A | 0.0000 | |
| 360 | T | A | 0.0000 | |
| 361 | E | A | -1.3508 | |
| 362 | E | A | -1.4858 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | -0.5858 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.6624 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.0984 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.8013 | |
| 372 | E | A | -2.1380 | |
| 373 | A | A | -1.1476 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.4161 | |
| 377 | V | A | -1.2795 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.3607 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -1.1274 | |
| 383 | K | A | -2.3164 | |
| 384 | D | A | -2.4007 | |
| 385 | P | A | -0.7442 | |
| 386 | P | A | -0.0077 | |
| 387 | L | A | 1.0955 | |
| 388 | T | A | 0.3310 | |
| 389 | H | A | -0.3756 | |
| 390 | Q | A | -0.5091 | |
| 391 | V | A | 0.0946 | |
| 392 | M | A | 0.0000 | |
| 393 | Y | A | 0.5905 | |
| 394 | I | A | 0.0000 | |
| 395 | P | A | -0.1042 | |
| 396 | P | A | -0.5290 | |
| 397 | G | A | -0.5667 | |
| 398 | G | A | -0.1679 | |
| 399 | P | A | -0.1766 | |
| 400 | I | A | 0.3993 | |
| 401 | P | A | -0.7402 | |
| 402 | K | A | -1.7304 | |
| 403 | S | A | -1.1235 | |
| 404 | T | A | -0.6125 | |
| 405 | T | A | -0.8616 | |
| 406 | D | A | -1.2160 | |
| 407 | Y | A | -0.3783 | |
| 408 | A | A | 0.3286 | |
| 409 | W | A | 0.6537 | |
| 410 | Q | A | 0.0000 | |
| 411 | T | A | 0.1868 | |
| 412 | S | A | -0.3406 | |
| 413 | T | A | -0.8840 | |
| 414 | N | A | -1.4909 | |
| 415 | P | A | -0.6964 | |
| 416 | S | A | 0.1447 | |
| 417 | I | A | 1.1129 | |
| 418 | F | A | 1.3164 | |
| 419 | W | A | 0.0000 | |
| 420 | T | A | -0.4518 | |
| 421 | E | A | -1.1223 | |
| 422 | A | A | -1.0278 | |
| 423 | L | A | -0.4933 | |
| 424 | K | A | -0.5614 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.6110 | |
| 427 | S | A | -1.0906 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.5899 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.6218 | |
| 432 | S | A | -1.4691 | |
| 433 | D | A | -2.7425 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.6869 | |
| 437 | D | A | -2.1509 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | 0.0000 | |
| 440 | G | A | -0.9538 | |
| 441 | I | A | -0.7284 | |
| 442 | V | A | 0.2721 | |
| 443 | A | A | 0.2970 | |
| 444 | S | A | -0.1283 | |
| 445 | P | A | 0.3639 | |
| 446 | P | A | 0.3513 | |
| 447 | L | A | 1.2383 | |
| 448 | T | A | 0.0970 | |
| 449 | H | A | -0.9219 | |
| 450 | Q | A | -0.7341 | |
| 451 | V | A | -0.0852 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 0.5876 | |
| 454 | I | A | 0.0000 | |
| 455 | P | A | -0.0240 | |
| 456 | P | A | -0.4881 | |
| 457 | G | A | -0.5133 | |
| 458 | G | A | -0.1085 | |
| 459 | P | A | -0.0542 | |
| 460 | I | A | 0.6178 | |
| 461 | P | A | -0.6487 | |
| 462 | K | A | -1.7744 | |
| 463 | S | A | -1.1323 | |
| 464 | T | A | -0.9110 | |
| 465 | T | A | -0.8754 | |
| 466 | D | A | -1.1047 | |
| 467 | Y | A | -0.4167 | |
| 468 | A | A | 0.4373 | |
| 469 | W | A | 0.5636 | |
| 470 | Q | A | 0.0000 | |
| 471 | T | A | 0.1266 | |
| 472 | S | A | -0.4547 | |
| 473 | T | A | -0.9092 | |
| 474 | N | A | -1.3388 | |
| 475 | P | A | -0.6336 | |
| 476 | S | A | 0.1781 | |
| 477 | I | A | 1.2601 | |
| 478 | F | A | 1.3532 | |
| 479 | W | A | 0.4846 | |
| 480 | T | A | -0.4041 | |
| 481 | E | A | -1.0975 | |
| 482 | E | A | -0.9526 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.1897 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.2165 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.9063 | |
| 492 | D | A | -0.3932 | |
| 493 | V | A | 0.5598 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.4118 | |
| 497 | E | A | -1.2331 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.4748 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.7067 | |
| 503 | L | A | 0.9863 | |
| 504 | P | A | 0.9090 | |
| 505 | P | A | 0.9067 | |
| 506 | L | A | 0.9464 | |
| 507 | T | A | 0.2502 | |
| 508 | H | A | -0.6589 | |
| 509 | Q | A | -0.6925 | |
| 510 | V | A | -0.0175 | |
| 511 | M | A | 0.0000 | |
| 512 | Y | A | 0.4855 | |
| 513 | I | A | 0.0000 | |
| 514 | P | A | -0.2107 | |
| 515 | P | A | -0.5084 | |
| 516 | G | A | -0.5422 | |
| 517 | G | A | -0.1595 | |
| 518 | P | A | -0.1438 | |
| 519 | I | A | 0.5089 | |
| 520 | P | A | -0.7393 | |
| 521 | K | A | -1.7336 | |
| 522 | S | A | -1.1583 | |
| 523 | T | A | -0.9202 | |
| 524 | T | A | -0.8693 | |
| 525 | D | A | -1.3067 | |
| 526 | Y | A | -0.4064 | |
| 527 | A | A | 0.2382 | |
| 528 | W | A | 0.5755 | |
| 529 | Q | A | 0.0000 | |
| 530 | T | A | 0.1136 | |
| 531 | S | A | -0.4305 | |
| 532 | T | A | -0.8071 | |
| 533 | N | A | -1.2304 | |
| 534 | P | A | -0.5285 | |
| 535 | S | A | 0.2522 | |
| 536 | I | A | 1.2229 | |
| 537 | F | A | 1.3586 | |
| 538 | W | A | 0.0000 | |
| 539 | T | A | -0.5789 | |
| 540 | E | A | -1.2646 | |
| 541 | T | A | -0.8405 | |
| 542 | L | A | -0.1811 | |
| 543 | W | A | 0.0865 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.5072 | |
| 546 | E | A | -2.2182 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.8715 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.6575 | |
| 551 | A | A | -1.8134 | |
| 552 | K | A | -2.0626 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | -1.5619 | |
| 556 | D | A | -1.5073 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.1568 | |
| 560 | V | A | 0.0000 | |
| 561 | L | A | -0.3882 | |
| 562 | R | A | -1.5420 | |
| 563 | A | A | -0.4728 | |
| 564 | P | A | -0.0048 | |
| 565 | P | A | 0.6905 | |
| 566 | L | A | 1.2363 | |
| 567 | T | A | 0.1230 | |
| 568 | H | A | -0.4652 | |
| 569 | Q | A | -0.8726 | |
| 570 | V | A | 0.0000 | |
| 571 | M | A | 0.1118 | |
| 572 | Y | A | 0.4886 | |
| 573 | I | A | 0.0000 | |
| 574 | P | A | -0.0472 | |
| 575 | P | A | -0.5121 | |
| 576 | G | A | -0.5158 | |
| 577 | G | A | -0.1046 | |
| 578 | P | A | -0.0301 | |
| 579 | I | A | 0.6465 | |
| 580 | P | A | -0.6563 | |
| 581 | K | A | -1.8071 | |
| 582 | S | A | -1.1905 | |
| 583 | T | A | -0.9027 | |
| 584 | T | A | -0.9285 | |
| 585 | D | A | -1.1537 | |
| 586 | Y | A | -0.5005 | |
| 587 | A | A | 0.4575 | |
| 588 | W | A | 0.6830 | |
| 589 | Q | A | 0.0000 | |
| 590 | T | A | 0.2542 | |
| 591 | S | A | -0.3438 | |
| 592 | T | A | -0.7415 | |
| 593 | N | A | -1.0802 | |
| 594 | P | A | -0.4977 | |
| 595 | S | A | 0.2242 | |
| 596 | I | A | 1.2068 | |
| 597 | F | A | 1.3506 | |
| 598 | W | A | 0.3839 | |
| 599 | T | A | -0.6547 | |
| 600 | E | A | -1.5325 | |
| 601 | E | A | -1.1284 | |
| 602 | L | A | -0.1866 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.7581 | |
| 606 | G | A | -1.4683 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.5373 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4200 | |
| 611 | D | A | -1.5283 | |
| 612 | E | A | -1.8857 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.6078 | |
| 616 | L | A | -1.5215 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -1.7638 | |
| 620 | T | A | -1.0114 | |
| 621 | L | A | 0.0985 | |
| 622 | L | A | 0.3408 | |
| 623 | P | A | 0.2534 | |
| 624 | P | A | 0.2395 | |
| 625 | L | A | 0.6756 | |
| 626 | T | A | -0.1838 | |
| 627 | H | A | -0.9135 | |
| 628 | Q | A | -0.7532 | |
| 629 | V | A | -0.0500 | |
| 630 | M | A | 0.0000 | |
| 631 | Y | A | 0.6752 | |
| 632 | I | A | 0.0000 | |
| 633 | P | A | -0.0402 | |
| 634 | P | A | -0.5083 | |
| 635 | G | A | -0.5543 | |
| 636 | G | A | -0.1706 | |
| 637 | P | A | -0.1767 | |
| 638 | I | A | 0.4118 | |
| 639 | P | A | -0.7570 | |
| 640 | K | A | -1.7531 | |
| 641 | S | A | -1.1527 | |
| 642 | T | A | -0.8507 | |
| 643 | T | A | -0.8016 | |
| 644 | D | A | -1.0757 | |
| 645 | Y | A | -0.3641 | |
| 646 | A | A | 0.6428 | |
| 647 | W | A | 0.7676 | |
| 648 | Q | A | 0.0000 | |
| 649 | T | A | 0.2117 | |
| 650 | S | A | -0.2803 | |
| 651 | T | A | -0.7122 | |
| 652 | N | A | -1.0873 | |
| 653 | P | A | -0.4790 | |
| 654 | S | A | 0.2249 | |
| 655 | I | A | 1.1142 | |
| 656 | F | A | 1.3454 | |
| 657 | W | A | 0.4317 | |
| 658 | T | A | -0.6131 | |
| 659 | E | A | -1.4125 | |
| 660 | S | A | -0.9527 | |
| 661 | L | A | -0.2778 | |
| 662 | W | A | 0.2589 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -0.7081 | |
| 665 | S | A | -1.5733 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5276 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.0829 | |
| 670 | A | A | -1.0946 | |
| 671 | A | A | -0.7992 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.8774 | |
| 675 | H | A | -1.0920 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.7605 | |
| 678 | S | A | -0.6099 | |
| 679 | V | A | 0.1040 | |
| 680 | L | A | 0.1588 | |
| 681 | A | A | -0.0927 | |
| 682 | Q | A | 0.1571 | |
| 683 | P | A | 0.2791 | |
| 684 | P | A | 0.4786 | |
| 685 | L | A | 0.3580 | |
| 686 | T | A | -0.3123 | |
| 687 | H | A | -0.7653 | |
| 688 | Q | A | -0.8522 | |
| 689 | V | A | 0.0371 | |
| 690 | M | A | 0.3898 | |
| 691 | Y | A | 0.7133 | |
| 692 | I | A | 0.0000 | |
| 693 | P | A | 0.0282 | |
| 694 | P | A | -0.5156 | |
| 695 | G | A | -0.4646 | |
| 696 | G | A | -0.0224 | |
| 697 | P | A | 0.1676 | |
| 698 | I | A | 1.0699 | |
| 699 | P | A | -0.4275 | |
| 700 | K | A | -1.6733 | |
| 701 | S | A | -1.1156 | |
| 702 | T | A | -0.7656 | |
| 703 | T | A | -0.9265 | |
| 704 | D | A | -1.2160 | |
| 705 | Y | A | -0.2474 | |
| 706 | A | A | 0.3605 | |
| 707 | W | A | 0.7367 | |
| 708 | Q | A | 0.0000 | |
| 709 | T | A | 0.1645 | |
| 710 | S | A | -0.3256 | |
| 711 | T | A | -0.6833 | |
| 712 | N | A | -1.0091 | |
| 713 | P | A | -0.4090 | |
| 714 | S | A | 0.3004 | |
| 715 | I | A | 1.2488 | |
| 716 | F | A | 1.3765 | |
| 717 | W | A | 0.0000 | |
| 718 | T | A | -0.4045 | |
| 719 | E | A | -1.1508 | |
| 720 | E | A | -0.8356 | |
| 721 | L | A | 0.0000 | |
| 722 | Q | A | 0.0000 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.2903 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -3.1117 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.6708 | |
| 730 | D | A | -1.8190 | |
| 731 | A | A | -0.9837 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -1.8069 | |
| 735 | E | A | -2.0085 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.7438 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | -0.3223 | |
| 741 | G | A | -0.2403 | |
| 742 | P | A | 0.6243 | |
| 743 | P | A | 0.6744 | |
| 744 | L | A | 1.2339 | |
| 745 | T | A | 0.3300 | |
| 746 | H | A | -0.7800 | |
| 747 | Q | A | -0.6157 | |
| 748 | V | A | -0.0149 | |
| 749 | M | A | 0.0000 | |
| 750 | Y | A | 0.6633 | |
| 751 | I | A | 0.0000 | |
| 752 | P | A | -0.0474 | |
| 753 | P | A | -0.5124 | |
| 754 | G | A | -0.5581 | |
| 755 | G | A | -0.1545 | |
| 756 | P | A | -0.2133 | |
| 757 | I | A | 0.3693 | |
| 758 | P | A | -0.7933 | |
| 759 | K | A | -1.8676 | |
| 760 | S | A | -1.1839 | |
| 761 | T | A | -0.8704 | |
| 762 | T | A | -0.8744 | |
| 763 | D | A | -1.2106 | |
| 764 | Y | A | -0.3412 | |
| 765 | A | A | 0.5109 | |
| 766 | W | A | 0.5139 | |
| 767 | Q | A | 0.0000 | |
| 768 | T | A | 0.1805 | |
| 769 | S | A | -0.2895 | |
| 770 | T | A | -0.6259 | |
| 771 | N | A | -0.9237 | |
| 772 | P | A | -0.3197 | |
| 773 | S | A | 0.4093 | |
| 774 | I | A | 1.3490 | |
| 775 | F | A | 1.5566 | |
| 776 | W | A | 0.6640 | |
| 777 | T | A | -0.2412 | |
| 778 | E | A | -0.7807 | |
| 779 | V | A | -0.3754 | |
| 780 | L | A | 0.0470 | |
| 781 | W | A | 0.1277 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | -1.2417 | |
| 784 | D | A | -2.5638 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -3.1253 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.7928 | |
| 789 | D | A | -0.7865 | |
| 790 | S | A | -0.7879 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.4778 | |
| 794 | S | A | -0.6013 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | 0.3860 | |
| 798 | T | A | 0.3481 | |
| 799 | L | A | 0.7332 | |
| 800 | L | A | 1.2699 | |
| 801 | A | A | 0.9663 | |
| 802 | P | A | 0.8755 | |
| 803 | P | A | 0.9214 | |
| 804 | L | A | 1.4569 | |
| 805 | T | A | 0.3585 | |
| 806 | H | A | -0.1659 | |
| 807 | Q | A | -0.3669 | |
| 808 | V | A | 0.0000 | |
| 809 | M | A | 0.0000 | |
| 810 | Y | A | 0.6716 | |
| 811 | I | A | 0.0000 | |
| 812 | P | A | 0.0500 | |
| 813 | P | A | -0.5015 | |
| 814 | G | A | -0.4660 | |
| 815 | G | A | 0.0276 | |
| 816 | P | A | 0.1549 | |
| 817 | I | A | 1.1130 | |
| 818 | P | A | -0.3475 | |
| 819 | K | A | -1.5915 | |
| 820 | S | A | -1.1158 | |
| 821 | T | A | -0.7630 | |
| 822 | T | A | -0.9409 | |
| 823 | D | A | -1.0419 | |
| 824 | Y | A | -0.3484 | |
| 825 | A | A | 0.3585 | |
| 826 | W | A | 0.6841 | |
| 827 | Q | A | 0.0000 | |
| 828 | T | A | 0.2044 | |
| 829 | S | A | -0.2460 | |
| 830 | T | A | -0.6471 | |
| 831 | N | A | -0.9359 | |
| 832 | P | A | -0.3299 | |
| 833 | S | A | 0.4504 | |
| 834 | I | A | 1.4926 | |
| 835 | F | A | 1.8689 | |
| 836 | W | A | 0.8762 | |
| 837 | T | A | -0.0183 | |
| 838 | E | A | -0.7368 | |
| 839 | E | A | -0.7927 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -1.8868 | |
| 845 | N | A | 0.0000 | |
| 846 | C | A | -0.1834 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.1478 | |
| 849 | D | A | -1.3254 | |
| 850 | A | A | -0.6049 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.4792 | |
| 854 | Q | A | -0.7339 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | 0.0000 | |
| 857 | E | A | -1.1556 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | -0.3927 | |
| 860 | R | A | -1.3938 | |
| 861 | P | A | -0.5423 | |
| 862 | P | A | 0.2949 | |
| 863 | L | A | 0.7050 | |
| 864 | T | A | -0.1081 | |
| 865 | H | A | -0.6623 | |
| 866 | Q | A | -0.7327 | |
| 867 | V | A | -0.1883 | |
| 868 | M | A | 0.0000 | |
| 869 | Y | A | 0.5391 | |
| 870 | I | A | 0.0000 | |
| 871 | P | A | -0.0000 | |
| 872 | P | A | -0.5017 | |
| 873 | G | A | -0.5118 | |
| 874 | G | A | -0.0572 | |
| 875 | P | A | -0.0392 | |
| 876 | I | A | 0.6715 | |
| 877 | P | A | -0.5065 | |
| 878 | K | A | -1.7495 | |
| 879 | S | A | -1.1270 | |
| 880 | T | A | -0.8143 | |
| 881 | T | A | -0.8269 | |
| 882 | D | A | -0.9523 | |
| 883 | Y | A | 0.1458 | |
| 884 | A | A | 0.5771 | |
| 885 | W | A | 0.6964 | |
| 886 | Q | A | 0.0000 | |
| 887 | T | A | 0.1232 | |
| 888 | S | A | -0.3114 | |
| 889 | T | A | -0.8356 | |
| 890 | N | A | -1.2577 | |
| 891 | P | A | -0.5008 | |
| 892 | S | A | 0.5993 | |
| 893 | I | A | 1.9161 | |
| 894 | F | A | 2.4965 | |
| 895 | W | A | 1.4125 | |
| 896 | T | A | -0.1083 | |
| 897 | E | A | -1.0916 | |
| 898 | Q | A | -1.1560 | |
| 899 | L | A | 0.0000 | |
| 900 | V | A | 0.0000 | |
| 901 | L | A | 0.0000 | |
| 902 | Y | A | -0.2362 | |
| 903 | D | A | -1.5123 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.6073 | |
| 906 | W | A | -0.5534 | |
| 907 | S | A | -1.9273 | |
| 908 | E | A | -3.4862 | |
| 909 | E | A | -3.9072 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.3788 | |
| 912 | D | A | -4.0340 | |
| 913 | R | A | -3.4911 | |
| 914 | L | A | 0.0000 | |
| 915 | Q | A | -3.3986 | |
| 916 | A | A | -2.8511 | |
| 917 | L | A | -2.6087 | |
| 918 | E | A | -3.8052 | |
| 919 | K | A | -3.6952 | |
| 920 | D | A | -2.9510 | |
| 921 | P | A | -1.8048 | |
| 922 | P | A | -0.6843 | |
| 923 | L | A | 0.7750 | |
| 924 | T | A | 0.3802 | |
| 925 | H | A | -0.6240 | |
| 926 | Q | A | -0.3683 | |
| 927 | V | A | -0.1643 | |
| 928 | M | A | 0.0000 | |
| 929 | Y | A | 0.5832 | |
| 930 | I | A | 0.8582 | |
| 931 | P | A | 0.1670 | |
| 932 | P | A | -0.4738 | |
| 933 | G | A | -0.3965 | |
| 934 | G | A | 0.2350 | |
| 935 | P | A | 0.3778 | |
| 936 | I | A | 1.3362 | |
| 937 | P | A | -0.0619 | |
| 938 | K | A | -1.5183 | |
| 939 | S | A | -1.0378 | |
| 940 | T | A | -0.5612 | |
| 941 | T | A | -0.6067 | |
| 942 | D | A | -0.6785 | |
| 943 | Y | A | 0.6689 | |
| 944 | A | A | 0.6488 | |
| 945 | W | A | 1.1946 | |
| 946 | Q | A | 0.4284 | |
| 947 | T | A | -0.1239 | |
| 948 | S | A | -0.5553 | |
| 949 | T | A | -0.9708 | |
| 950 | N | A | -1.5869 | |
| 951 | P | A | -0.7923 | |
| 952 | S | A | 0.5310 | |
| 953 | I | A | 2.1259 | |
| 954 | F | A | 2.9775 | |
| 955 | W | A | 1.5770 | |
| 956 | T | A | -0.1929 | |
| 957 | E | A | -1.7708 | |
| 958 | R | A | -2.4440 | |
| 959 | V | A | -1.0950 | |
| 960 | I | A | -0.1855 | |
| 961 | S | A | -0.3946 |
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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, -0.3333 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 | -0.3333 | View | CSV | PDB |
| model_9 | -0.3979 | View | CSV | PDB |
| model_4 | -0.4011 | View | CSV | PDB |
| model_6 | -0.4104 | View | CSV | PDB |
| model_8 | -0.4136 | View | CSV | PDB |
| model_10 | -0.4208 | View | CSV | PDB |
| CABS_average | -0.4286 | View | CSV | PDB |
| model_5 | -0.4288 | View | CSV | PDB |
| model_0 | -0.4366 | View | CSV | PDB |
| model_3 | -0.438 | View | CSV | PDB |
| model_11 | -0.4433 | View | CSV | PDB |
| model_2 | -0.4464 | View | CSV | PDB |
| model_7 | -0.4527 | View | CSV | PDB |
| model_1 | -0.4529 | 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