Project name: C30_E30_EF_D68_EF_INTERFACE_SAT
Status: done
Started: 2026-07-21 13:43:56
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEALKLESCGVTSDNCRDLCGIVASPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELALGSNKLGDVGMAELCPGLLLFTYLRFDAEITILTTLWIWECGITAKGCGDLCRVLRALFTYLRFDAEITILTELSLAGNELGDEGARLLCETLLLFTYLRFDAEITILTSLWVKSCSFTAACCSHFSSVLAQLFTYLRFDAEITILTELQISNNRLEDAGVRELCQGLYLFTYLRFDAEITILTVLWLADCDVSDSSCSSLAATLLALFTYLRFDAEITILTELDLSNNCLGDAGILQLVESVRLFTYLRFDAEITILTQLVLYDIYWSEEMEDRLQALEKDLFTYLRFDAEITILTRVIS
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 (00:11:34)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:36:04)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:36:11)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:36:17)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:36:25)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:36:31)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:36:37)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:36:44)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:36:50)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:36:57)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:37:05)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:37:11)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:37:17)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:37:24)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:37:39)
[INFO] Main: Simulation completed successfully. (02:37:46)
|
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
- -4.0097
- Maximal score value
- 2.2161
- Average score
- -0.4544
- Total score value
- -356.7024
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 | 0.1402 | |
| 2 | L | A | 0.5850 | |
| 3 | D | A | -1.1759 | |
| 4 | I | A | -0.5131 | |
| 5 | Q | A | -1.0957 | |
| 6 | S | A | -1.1504 | |
| 7 | L | A | -0.7152 | |
| 8 | D | A | -1.6832 | |
| 9 | I | A | -1.5195 | |
| 10 | Q | A | -2.1324 | |
| 11 | C | A | -1.2612 | |
| 12 | E | A | -2.1907 | |
| 13 | E | A | -3.0148 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.0897 | |
| 16 | D | A | -2.6799 | |
| 17 | A | A | -1.8676 | |
| 18 | R | A | -2.5983 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.6537 | |
| 21 | E | A | -2.3171 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.7083 | |
| 24 | P | A | -0.6072 | |
| 25 | L | A | -0.3081 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.7016 | |
| 28 | P | A | -0.3339 | |
| 29 | P | A | -0.2195 | |
| 30 | L | A | 0.7883 | |
| 31 | T | A | 0.0307 | |
| 32 | H | A | -0.7509 | |
| 33 | Q | A | -0.4450 | |
| 34 | V | A | 1.1815 | |
| 35 | M | A | 1.2954 | |
| 36 | Y | A | 1.8388 | |
| 37 | V | A | 1.2520 | |
| 38 | P | A | 0.3568 | |
| 39 | P | A | -0.1533 | |
| 40 | G | A | -0.3946 | |
| 41 | G | A | 0.0272 | |
| 42 | P | A | 0.1233 | |
| 43 | I | A | 1.2012 | |
| 44 | P | A | -0.4326 | |
| 45 | K | A | -1.6692 | |
| 46 | S | A | -1.1596 | |
| 47 | Y | A | -0.3511 | |
| 48 | E | A | -1.9689 | |
| 49 | D | A | -1.9581 | |
| 50 | F | A | -0.0697 | |
| 51 | A | A | -0.1693 | |
| 52 | W | A | 1.0877 | |
| 53 | Q | A | 0.8745 | |
| 54 | T | A | 0.7504 | |
| 55 | S | A | -0.0040 | |
| 56 | T | A | -0.5097 | |
| 57 | N | A | -1.0809 | |
| 58 | P | A | -0.3627 | |
| 59 | S | A | 0.4290 | |
| 60 | V | A | 2.2161 | |
| 61 | F | A | 1.9449 | |
| 62 | W | A | 1.3280 | |
| 63 | T | A | -0.0665 | |
| 64 | E | A | -1.0180 | |
| 65 | V | A | 0.0000 | |
| 66 | R | A | -1.6420 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -2.0231 | |
| 69 | D | A | -2.5919 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -1.9811 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.5802 | |
| 74 | E | A | -2.0476 | |
| 75 | A | A | -1.1182 | |
| 76 | R | A | -1.6397 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.2948 | |
| 79 | D | A | -1.6894 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -1.1732 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | -0.6686 | |
| 85 | R | A | -0.8642 | |
| 86 | V | A | 0.0292 | |
| 87 | P | A | 0.0403 | |
| 88 | P | A | 0.3387 | |
| 89 | L | A | 0.8363 | |
| 90 | T | A | -0.0111 | |
| 91 | H | A | -0.7277 | |
| 92 | Q | A | -0.3376 | |
| 93 | V | A | 0.6042 | |
| 94 | M | A | 0.9235 | |
| 95 | Y | A | 1.5940 | |
| 96 | V | A | 1.1089 | |
| 97 | P | A | 0.1532 | |
| 98 | P | A | -0.2632 | |
| 99 | G | A | -0.5096 | |
| 100 | G | A | -0.0590 | |
| 101 | P | A | -0.0557 | |
| 102 | I | A | 0.8799 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.6547 | |
| 105 | S | A | -1.0608 | |
| 106 | Y | A | -0.2578 | |
| 107 | E | A | -1.8874 | |
| 108 | D | A | -1.6560 | |
| 109 | F | A | -0.2356 | |
| 110 | A | A | -0.3566 | |
| 111 | W | A | 0.3747 | |
| 112 | Q | A | 0.6353 | |
| 113 | T | A | 0.5111 | |
| 114 | S | A | -0.0058 | |
| 115 | T | A | -0.2795 | |
| 116 | N | A | -1.0030 | |
| 117 | P | A | -0.3563 | |
| 118 | S | A | 0.3274 | |
| 119 | V | A | 1.4663 | |
| 120 | F | A | 1.6769 | |
| 121 | W | A | 1.3915 | |
| 122 | T | A | 0.0000 | |
| 123 | E | A | -0.6480 | |
| 124 | E | A | -0.9659 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.1786 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -1.8770 | |
| 129 | S | A | -1.7852 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.5050 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.5264 | |
| 134 | D | A | 0.0781 | |
| 135 | V | A | 0.8994 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.4376 | |
| 139 | C | A | -0.7851 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.1810 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.0967 | |
| 145 | Q | A | -0.1975 | |
| 146 | P | A | 0.0300 | |
| 147 | P | A | 0.1851 | |
| 148 | L | A | 1.0153 | |
| 149 | T | A | -0.1362 | |
| 150 | H | A | -0.8990 | |
| 151 | Q | A | -1.2412 | |
| 152 | V | A | -0.1591 | |
| 153 | M | A | 0.5706 | |
| 154 | Y | A | 1.3995 | |
| 155 | V | A | 0.9959 | |
| 156 | P | A | 0.1139 | |
| 157 | P | A | -0.2871 | |
| 158 | G | A | -0.5108 | |
| 159 | G | A | -0.0521 | |
| 160 | P | A | 0.0160 | |
| 161 | I | A | 0.9144 | |
| 162 | P | A | -0.4049 | |
| 163 | K | A | -1.5729 | |
| 164 | S | A | -0.9956 | |
| 165 | Y | A | -0.1874 | |
| 166 | E | A | -1.8328 | |
| 167 | D | A | -1.4784 | |
| 168 | F | A | -0.1801 | |
| 169 | A | A | -0.2270 | |
| 170 | W | A | 0.5130 | |
| 171 | Q | A | 0.0000 | |
| 172 | T | A | 0.4879 | |
| 173 | S | A | -0.0581 | |
| 174 | T | A | -0.2623 | |
| 175 | N | A | -0.7756 | |
| 176 | P | A | -0.4716 | |
| 177 | S | A | 0.0566 | |
| 178 | V | A | 0.8428 | |
| 179 | F | A | 1.1082 | |
| 180 | W | A | 0.8742 | |
| 181 | T | A | -0.0595 | |
| 182 | E | A | -0.8262 | |
| 183 | K | A | -1.2607 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.1943 | |
| 188 | N | A | -1.4604 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.0810 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.5661 | |
| 193 | G | A | 0.2055 | |
| 194 | A | A | 0.4006 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.0863 | |
| 198 | V | A | 0.1402 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | -0.3303 | |
| 201 | S | A | -0.5047 | |
| 202 | T | A | -0.4846 | |
| 203 | L | A | 0.0000 | |
| 204 | R | A | -0.8455 | |
| 205 | T | A | -0.1485 | |
| 206 | P | A | 0.1561 | |
| 207 | P | A | 0.1111 | |
| 208 | L | A | 1.0808 | |
| 209 | T | A | 0.1893 | |
| 210 | H | A | -0.8115 | |
| 211 | Q | A | -0.3788 | |
| 212 | V | A | 0.1250 | |
| 213 | M | A | 0.6281 | |
| 214 | Y | A | 1.2375 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | -0.0459 | |
| 217 | P | A | -0.4693 | |
| 218 | G | A | -0.5932 | |
| 219 | G | A | -0.2700 | |
| 220 | P | A | -0.1800 | |
| 221 | I | A | 0.5427 | |
| 222 | P | A | -0.5946 | |
| 223 | K | A | -1.6728 | |
| 224 | S | A | -1.0181 | |
| 225 | Y | A | -0.1806 | |
| 226 | E | A | -1.8240 | |
| 227 | D | A | -1.5313 | |
| 228 | F | A | -0.2128 | |
| 229 | A | A | -0.2832 | |
| 230 | W | A | 0.3434 | |
| 231 | Q | A | 0.0000 | |
| 232 | T | A | 0.3023 | |
| 233 | S | A | -0.2882 | |
| 234 | T | A | -0.6010 | |
| 235 | N | A | -1.2503 | |
| 236 | P | A | -0.7100 | |
| 237 | S | A | -0.0354 | |
| 238 | V | A | 0.7469 | |
| 239 | F | A | 1.0719 | |
| 240 | W | A | 0.8519 | |
| 241 | T | A | 0.0000 | |
| 242 | E | A | -0.7851 | |
| 243 | E | A | -1.1272 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -0.8968 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.5873 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4784 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0842 | |
| 253 | D | A | -0.4625 | |
| 254 | A | A | -0.2346 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.9107 | |
| 258 | L | A | 0.0541 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.1554 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | L | A | -0.1234 | |
| 265 | P | A | -0.1278 | |
| 266 | P | A | -0.1187 | |
| 267 | L | A | 0.8762 | |
| 268 | T | A | -0.1566 | |
| 269 | H | A | -1.1042 | |
| 270 | Q | A | -1.1670 | |
| 271 | V | A | -0.0803 | |
| 272 | M | A | 0.5604 | |
| 273 | Y | A | 1.2070 | |
| 274 | V | A | 0.0000 | |
| 275 | P | A | -0.0904 | |
| 276 | P | A | -0.5030 | |
| 277 | G | A | -0.6400 | |
| 278 | G | A | -0.2515 | |
| 279 | P | A | -0.2994 | |
| 280 | I | A | 0.3061 | |
| 281 | P | A | -0.7438 | |
| 282 | K | A | -1.7560 | |
| 283 | S | A | -1.0835 | |
| 284 | Y | A | -0.2155 | |
| 285 | E | A | -1.8766 | |
| 286 | D | A | -1.6662 | |
| 287 | F | A | -0.3020 | |
| 288 | A | A | -0.4007 | |
| 289 | W | A | 0.4470 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.3042 | |
| 292 | S | A | -0.3587 | |
| 293 | T | A | -0.7079 | |
| 294 | N | A | -1.4346 | |
| 295 | P | A | -0.7833 | |
| 296 | S | A | -0.1338 | |
| 297 | V | A | 0.8281 | |
| 298 | F | A | 1.0098 | |
| 299 | W | A | 0.6800 | |
| 300 | T | A | 0.0000 | |
| 301 | E | A | -0.9755 | |
| 302 | K | A | -1.2531 | |
| 303 | L | A | 0.0000 | |
| 304 | Q | A | -0.5614 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.2193 | |
| 307 | Y | A | 0.5293 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.1409 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -1.0339 | |
| 312 | A | A | -1.1840 | |
| 313 | A | A | -0.8465 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.0733 | |
| 317 | P | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -0.8424 | |
| 321 | V | A | -0.3219 | |
| 322 | L | A | 0.0000 | |
| 323 | R | A | -0.8248 | |
| 324 | A | A | -0.0183 | |
| 325 | P | A | 0.3293 | |
| 326 | P | A | 0.3047 | |
| 327 | L | A | 0.9930 | |
| 328 | T | A | 0.0468 | |
| 329 | H | A | -0.6134 | |
| 330 | Q | A | -0.3714 | |
| 331 | V | A | 0.4197 | |
| 332 | M | A | 0.7913 | |
| 333 | Y | A | 1.3989 | |
| 334 | V | A | 0.8954 | |
| 335 | P | A | 0.0480 | |
| 336 | P | A | -0.3834 | |
| 337 | G | A | -0.5160 | |
| 338 | G | A | -0.0733 | |
| 339 | P | A | -0.0484 | |
| 340 | I | A | 0.7860 | |
| 341 | P | A | -0.4781 | |
| 342 | K | A | -1.6237 | |
| 343 | S | A | -1.0026 | |
| 344 | Y | A | -0.1883 | |
| 345 | E | A | -1.8360 | |
| 346 | D | A | -1.5293 | |
| 347 | F | A | -0.2510 | |
| 348 | A | A | -0.2762 | |
| 349 | W | A | 0.6024 | |
| 350 | Q | A | 0.0000 | |
| 351 | T | A | 0.4122 | |
| 352 | S | A | -0.4657 | |
| 353 | T | A | -0.9124 | |
| 354 | N | A | -1.6436 | |
| 355 | P | A | -0.9247 | |
| 356 | S | A | -0.1424 | |
| 357 | V | A | 0.7513 | |
| 358 | F | A | 0.8316 | |
| 359 | W | A | 0.4531 | |
| 360 | T | A | 0.0000 | |
| 361 | E | A | -0.8225 | |
| 362 | E | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.9686 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.2001 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.8246 | |
| 372 | E | A | -1.9784 | |
| 373 | A | A | -1.0701 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.3339 | |
| 377 | V | A | -1.4363 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.2824 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | K | A | -2.0982 | |
| 384 | D | A | -1.7616 | |
| 385 | P | A | -0.7568 | |
| 386 | P | A | -0.2160 | |
| 387 | L | A | 0.7396 | |
| 388 | T | A | 0.0693 | |
| 389 | H | A | -0.8264 | |
| 390 | Q | A | -0.9636 | |
| 391 | V | A | -0.1676 | |
| 392 | M | A | 0.5737 | |
| 393 | Y | A | 1.2411 | |
| 394 | V | A | 0.8417 | |
| 395 | P | A | 0.0430 | |
| 396 | P | A | -0.3490 | |
| 397 | G | A | -0.5071 | |
| 398 | G | A | -0.0721 | |
| 399 | P | A | 0.1196 | |
| 400 | I | A | 1.1083 | |
| 401 | P | A | -0.1917 | |
| 402 | K | A | -1.4550 | |
| 403 | S | A | -0.8454 | |
| 404 | Y | A | -0.0405 | |
| 405 | E | A | -1.5776 | |
| 406 | D | A | -0.9957 | |
| 407 | F | A | 0.0527 | |
| 408 | A | A | -0.1375 | |
| 409 | W | A | 0.8282 | |
| 410 | Q | A | 0.9317 | |
| 411 | T | A | 0.7763 | |
| 412 | S | A | -0.2898 | |
| 413 | T | A | -0.8746 | |
| 414 | N | A | -1.9021 | |
| 415 | P | A | -1.0103 | |
| 416 | S | A | -0.2009 | |
| 417 | V | A | 0.7676 | |
| 418 | F | A | 0.7271 | |
| 419 | W | A | 0.5986 | |
| 420 | T | A | 0.0000 | |
| 421 | E | A | -0.8741 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | K | A | -0.6075 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.7170 | |
| 427 | S | A | -1.3739 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.6572 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.6590 | |
| 432 | S | A | -1.3793 | |
| 433 | D | A | -2.4425 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.3500 | |
| 437 | D | A | -2.1369 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | 0.0000 | |
| 440 | G | A | -0.9370 | |
| 441 | I | A | -0.5728 | |
| 442 | V | A | 0.0000 | |
| 443 | A | A | 0.1282 | |
| 444 | S | A | 0.4495 | |
| 445 | P | A | -0.1028 | |
| 446 | P | A | 0.2604 | |
| 447 | L | A | 0.9656 | |
| 448 | T | A | 0.0486 | |
| 449 | H | A | -0.5816 | |
| 450 | Q | A | -0.2053 | |
| 451 | V | A | 0.9860 | |
| 452 | M | A | 1.0124 | |
| 453 | Y | A | 1.5731 | |
| 454 | V | A | 0.9643 | |
| 455 | P | A | 0.1492 | |
| 456 | P | A | -0.4337 | |
| 457 | G | A | -0.5444 | |
| 458 | G | A | -0.0987 | |
| 459 | P | A | -0.2075 | |
| 460 | I | A | 0.5088 | |
| 461 | P | A | -0.6325 | |
| 462 | K | A | -1.7331 | |
| 463 | S | A | -1.0716 | |
| 464 | Y | A | -0.2319 | |
| 465 | E | A | -1.7396 | |
| 466 | D | A | -1.5334 | |
| 467 | F | A | -0.1811 | |
| 468 | A | A | -0.0048 | |
| 469 | W | A | 0.6281 | |
| 470 | Q | A | 0.3174 | |
| 471 | T | A | -0.0876 | |
| 472 | S | A | -0.3925 | |
| 473 | T | A | -0.7166 | |
| 474 | N | A | -1.6737 | |
| 475 | P | A | -0.9540 | |
| 476 | S | A | -0.0964 | |
| 477 | V | A | 0.9335 | |
| 478 | F | A | 1.1091 | |
| 479 | W | A | 0.6004 | |
| 480 | T | A | -0.1472 | |
| 481 | E | A | 0.0000 | |
| 482 | E | A | -0.8254 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.3296 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.0974 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.7805 | |
| 492 | D | A | -0.4106 | |
| 493 | V | A | 0.5815 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.3381 | |
| 497 | E | A | -1.1323 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.3958 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | L | A | 0.2884 | |
| 504 | L | A | 0.8319 | |
| 505 | F | A | 0.9441 | |
| 506 | T | A | 0.0000 | |
| 507 | Y | A | 1.7139 | |
| 508 | L | A | 0.6183 | |
| 509 | R | A | -1.5976 | |
| 510 | F | A | -1.5360 | |
| 511 | D | A | -2.8914 | |
| 512 | A | A | -2.1754 | |
| 513 | E | A | -2.7623 | |
| 514 | I | A | 0.0000 | |
| 515 | T | A | -0.5227 | |
| 516 | I | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | T | A | -0.3525 | |
| 519 | T | A | 0.0000 | |
| 520 | L | A | 0.0000 | |
| 521 | W | A | -0.0246 | |
| 522 | I | A | 0.0000 | |
| 523 | W | A | -0.7096 | |
| 524 | E | A | -2.4965 | |
| 525 | C | A | 0.0000 | |
| 526 | G | A | -1.9937 | |
| 527 | I | A | 0.0000 | |
| 528 | T | A | -1.5964 | |
| 529 | A | A | -1.7598 | |
| 530 | K | A | -1.8565 | |
| 531 | G | A | 0.0000 | |
| 532 | C | A | 0.0000 | |
| 533 | G | A | -1.5831 | |
| 534 | D | A | -1.5788 | |
| 535 | L | A | 0.0000 | |
| 536 | C | A | 0.0000 | |
| 537 | R | A | -1.9900 | |
| 538 | V | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | R | A | -1.1739 | |
| 541 | A | A | -0.2222 | |
| 542 | L | A | 0.0000 | |
| 543 | F | A | 0.0000 | |
| 544 | T | A | 0.2854 | |
| 545 | Y | A | 0.8249 | |
| 546 | L | A | -0.2336 | |
| 547 | R | A | -2.5467 | |
| 548 | F | A | -2.8944 | |
| 549 | D | A | -3.5714 | |
| 550 | A | A | -2.9209 | |
| 551 | E | A | -3.1128 | |
| 552 | I | A | 0.0000 | |
| 553 | T | A | -0.7146 | |
| 554 | I | A | 0.0000 | |
| 555 | L | A | 0.0000 | |
| 556 | T | A | -0.1807 | |
| 557 | E | A | -0.3349 | |
| 558 | L | A | 0.0000 | |
| 559 | S | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | A | A | -0.9218 | |
| 562 | G | A | -1.6568 | |
| 563 | N | A | 0.0000 | |
| 564 | E | A | -2.3956 | |
| 565 | L | A | 0.0000 | |
| 566 | G | A | -1.3874 | |
| 567 | D | A | -1.4658 | |
| 568 | E | A | -1.7098 | |
| 569 | G | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | R | A | -1.5354 | |
| 572 | L | A | -1.4249 | |
| 573 | L | A | 0.0000 | |
| 574 | C | A | 0.0000 | |
| 575 | E | A | -1.5589 | |
| 576 | T | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | L | A | 0.0097 | |
| 579 | L | A | 0.3739 | |
| 580 | F | A | 0.0000 | |
| 581 | T | A | 0.0000 | |
| 582 | Y | A | 1.2638 | |
| 583 | L | A | 0.0378 | |
| 584 | R | A | -2.1760 | |
| 585 | F | A | -2.7775 | |
| 586 | D | A | -3.6280 | |
| 587 | A | A | 0.0000 | |
| 588 | E | A | -3.0161 | |
| 589 | I | A | 0.0000 | |
| 590 | T | A | -0.6172 | |
| 591 | I | A | 0.0000 | |
| 592 | L | A | 0.0000 | |
| 593 | T | A | -0.1883 | |
| 594 | S | A | -0.1512 | |
| 595 | L | A | 0.0000 | |
| 596 | W | A | 0.1305 | |
| 597 | V | A | 0.0000 | |
| 598 | K | A | -0.8867 | |
| 599 | S | A | -1.7634 | |
| 600 | C | A | 0.0000 | |
| 601 | S | A | -1.5865 | |
| 602 | F | A | 0.0000 | |
| 603 | T | A | -1.0765 | |
| 604 | A | A | -1.2019 | |
| 605 | A | A | -0.7806 | |
| 606 | C | A | 0.0000 | |
| 607 | C | A | 0.0000 | |
| 608 | S | A | -0.9747 | |
| 609 | H | A | -0.9728 | |
| 610 | F | A | 0.0000 | |
| 611 | S | A | -0.8186 | |
| 612 | S | A | -0.6170 | |
| 613 | V | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | A | A | 0.1673 | |
| 616 | Q | A | 0.4738 | |
| 617 | L | A | 0.0000 | |
| 618 | F | A | 0.4987 | |
| 619 | T | A | 0.8842 | |
| 620 | Y | A | 1.1725 | |
| 621 | L | A | -0.0837 | |
| 622 | R | A | -2.2959 | |
| 623 | F | A | -2.4306 | |
| 624 | D | A | -3.3444 | |
| 625 | A | A | -3.0454 | |
| 626 | E | A | -3.0177 | |
| 627 | I | A | -1.2180 | |
| 628 | T | A | -0.6062 | |
| 629 | I | A | 0.0000 | |
| 630 | L | A | 0.0000 | |
| 631 | T | A | -0.0782 | |
| 632 | E | A | -0.1288 | |
| 633 | L | A | 0.0000 | |
| 634 | Q | A | 0.0000 | |
| 635 | I | A | 0.0000 | |
| 636 | S | A | 0.0000 | |
| 637 | N | A | -2.7931 | |
| 638 | N | A | 0.0000 | |
| 639 | R | A | -3.3326 | |
| 640 | L | A | 0.0000 | |
| 641 | E | A | -2.9216 | |
| 642 | D | A | -2.1966 | |
| 643 | A | A | -1.4638 | |
| 644 | G | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | R | A | -2.5492 | |
| 647 | E | A | -2.2714 | |
| 648 | L | A | 0.0000 | |
| 649 | C | A | 0.0000 | |
| 650 | Q | A | -1.5038 | |
| 651 | G | A | 0.0000 | |
| 652 | L | A | 0.0000 | |
| 653 | Y | A | 0.5169 | |
| 654 | L | A | 1.0212 | |
| 655 | F | A | 0.0000 | |
| 656 | T | A | 0.0000 | |
| 657 | Y | A | 1.4208 | |
| 658 | L | A | 0.1215 | |
| 659 | R | A | -2.5991 | |
| 660 | F | A | 0.0000 | |
| 661 | D | A | -3.5572 | |
| 662 | A | A | -2.9964 | |
| 663 | E | A | -3.0327 | |
| 664 | I | A | 0.0000 | |
| 665 | T | A | -0.7426 | |
| 666 | I | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | T | A | -0.0259 | |
| 669 | V | A | 0.0954 | |
| 670 | L | A | 0.0000 | |
| 671 | W | A | -0.0565 | |
| 672 | L | A | 0.0000 | |
| 673 | A | A | -1.5943 | |
| 674 | D | A | -3.3358 | |
| 675 | C | A | 0.0000 | |
| 676 | D | A | -3.4123 | |
| 677 | V | A | 0.0000 | |
| 678 | S | A | -0.9153 | |
| 679 | D | A | -0.9341 | |
| 680 | S | A | -0.9697 | |
| 681 | S | A | 0.0000 | |
| 682 | C | A | 0.0000 | |
| 683 | S | A | -0.5566 | |
| 684 | S | A | -0.9059 | |
| 685 | L | A | 0.0000 | |
| 686 | A | A | 0.0000 | |
| 687 | A | A | 0.0001 | |
| 688 | T | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | L | A | 0.3864 | |
| 691 | A | A | 0.0000 | |
| 692 | L | A | 0.0000 | |
| 693 | F | A | 0.0000 | |
| 694 | T | A | 0.4681 | |
| 695 | Y | A | 1.3087 | |
| 696 | L | A | -0.2506 | |
| 697 | R | A | -2.2725 | |
| 698 | F | A | 0.0000 | |
| 699 | D | A | -3.8118 | |
| 700 | A | A | -3.3387 | |
| 701 | E | A | -3.1249 | |
| 702 | I | A | 0.0000 | |
| 703 | T | A | -0.7166 | |
| 704 | I | A | 0.0000 | |
| 705 | L | A | 0.0000 | |
| 706 | T | A | -0.2021 | |
| 707 | E | A | -0.4551 | |
| 708 | L | A | 0.0000 | |
| 709 | D | A | 0.0000 | |
| 710 | L | A | 0.0000 | |
| 711 | S | A | 0.0000 | |
| 712 | N | A | -2.0253 | |
| 713 | N | A | 0.0000 | |
| 714 | C | A | -0.3105 | |
| 715 | L | A | 0.0000 | |
| 716 | G | A | -0.0790 | |
| 717 | D | A | -1.2097 | |
| 718 | A | A | -0.5637 | |
| 719 | G | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | L | A | -0.6124 | |
| 722 | Q | A | -1.0568 | |
| 723 | L | A | 0.0000 | |
| 724 | V | A | 0.0000 | |
| 725 | E | A | -1.4309 | |
| 726 | S | A | 0.0000 | |
| 727 | V | A | 0.0000 | |
| 728 | R | A | -0.9841 | |
| 729 | L | A | 0.5277 | |
| 730 | F | A | 0.0000 | |
| 731 | T | A | 0.0000 | |
| 732 | Y | A | 1.4175 | |
| 733 | L | A | 0.2666 | |
| 734 | R | A | -2.0381 | |
| 735 | F | A | -2.3697 | |
| 736 | D | A | -3.5445 | |
| 737 | A | A | 0.0000 | |
| 738 | E | A | -2.8313 | |
| 739 | I | A | 0.0000 | |
| 740 | T | A | -0.6841 | |
| 741 | I | A | 0.0000 | |
| 742 | L | A | 0.0000 | |
| 743 | T | A | -0.6604 | |
| 744 | Q | A | -0.8820 | |
| 745 | L | A | 0.0000 | |
| 746 | V | A | 0.0000 | |
| 747 | L | A | 0.0000 | |
| 748 | Y | A | 0.0933 | |
| 749 | D | A | -1.4202 | |
| 750 | I | A | 0.0000 | |
| 751 | Y | A | 0.6378 | |
| 752 | W | A | -0.5173 | |
| 753 | S | A | -1.9046 | |
| 754 | E | A | -3.4780 | |
| 755 | E | A | -3.8479 | |
| 756 | M | A | 0.0000 | |
| 757 | E | A | -3.3401 | |
| 758 | D | A | -4.0097 | |
| 759 | R | A | -3.3042 | |
| 760 | L | A | 0.0000 | |
| 761 | Q | A | -3.2080 | |
| 762 | A | A | -2.6664 | |
| 763 | L | A | 0.0000 | |
| 764 | E | A | -3.0779 | |
| 765 | K | A | -2.3924 | |
| 766 | D | A | -1.1042 | |
| 767 | L | A | 0.0000 | |
| 768 | F | A | 1.1374 | |
| 769 | T | A | 0.5723 | |
| 770 | Y | A | 1.5137 | |
| 771 | L | A | 0.6521 | |
| 772 | R | A | -1.5821 | |
| 773 | F | A | -1.9462 | |
| 774 | D | A | -2.9375 | |
| 775 | A | A | -2.6954 | |
| 776 | E | A | -2.6702 | |
| 777 | I | A | -1.2129 | |
| 778 | T | A | -0.4489 | |
| 779 | I | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | T | A | -0.9308 | |
| 782 | R | A | -1.8630 | |
| 783 | V | A | -0.6247 | |
| 784 | I | A | 0.2013 | |
| 785 | S | A | 0.0738 |
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, -0.4544 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 | -0.4544 | View | CSV | PDB |
| model_4 | -0.481 | View | CSV | PDB |
| model_7 | -0.5034 | View | CSV | PDB |
| model_9 | -0.5067 | View | CSV | PDB |
| model_6 | -0.5321 | View | CSV | PDB |
| model_3 | -0.5327 | View | CSV | PDB |
| CABS_average | -0.5344 | View | CSV | PDB |
| model_0 | -0.5357 | View | CSV | PDB |
| model_11 | -0.5404 | View | CSV | PDB |
| model_8 | -0.541 | View | CSV | PDB |
| model_1 | -0.5565 | View | CSV | PDB |
| model_5 | -0.557 | View | CSV | PDB |
| model_2 | -0.5577 | View | CSV | PDB |
| model_10 | -0.5687 | 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