Project name: C45_E30_EF_DIRECT
Status: done
Started: 2026-07-21 11:00:53
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEALKLESCGVTSDNCRDLCGIVASPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELALGSNKLGDVGMAELCPGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTERVIS
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 (00:00:02)
[INFO] CABS: Running CABS flex simulation (00:19:05)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (05:04:07)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (05:04:19)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (05:04:28)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (05:04:37)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (05:04:46)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (05:04:55)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (05:05:05)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (05:05:14)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (05:05:23)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (05:05:33)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (05:05:43)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (05:05:53)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (05:06:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (05:06:24)
[INFO] Main: Simulation completed successfully. (05:06:34)
|
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
- -3.8329
- Maximal score value
- 3.6643
- Average score
- -0.3697
- Total score value
- -355.2595
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 | 0.1821 | |
| 2 | L | A | 0.6744 | |
| 3 | D | A | -1.0431 | |
| 4 | I | A | -0.1144 | |
| 5 | Q | A | -1.1462 | |
| 6 | S | A | -1.1939 | |
| 7 | L | A | -0.8272 | |
| 8 | D | A | -2.3210 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.4529 | |
| 11 | C | A | -1.4497 | |
| 12 | E | A | -2.5467 | |
| 13 | E | A | -3.1131 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -1.8634 | |
| 16 | D | A | -2.4603 | |
| 17 | A | A | -1.5351 | |
| 18 | R | A | -1.9029 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.3828 | |
| 21 | E | A | -2.0303 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.3720 | |
| 24 | P | A | -0.3693 | |
| 25 | L | A | 0.4377 | |
| 26 | L | A | 0.3338 | |
| 27 | Q | A | -0.2555 | |
| 28 | P | A | 0.2318 | |
| 29 | P | A | 0.1873 | |
| 30 | L | A | 1.2132 | |
| 31 | T | A | -0.0222 | |
| 32 | H | A | -0.9292 | |
| 33 | Q | A | -0.7510 | |
| 34 | V | A | 1.3907 | |
| 35 | M | A | 1.4813 | |
| 36 | Y | A | 1.7198 | |
| 37 | V | A | 1.4433 | |
| 38 | P | A | 0.2922 | |
| 39 | P | A | -0.1944 | |
| 40 | G | A | -0.4250 | |
| 41 | G | A | 0.1216 | |
| 42 | P | A | 0.1275 | |
| 43 | I | A | 1.1279 | |
| 44 | P | A | -0.5913 | |
| 45 | K | A | -1.7720 | |
| 46 | S | A | -1.3097 | |
| 47 | Y | A | -0.5086 | |
| 48 | E | A | -2.4004 | |
| 49 | D | A | -2.2829 | |
| 50 | F | A | -0.4228 | |
| 51 | A | A | 0.2427 | |
| 52 | W | A | 0.2345 | |
| 53 | Q | A | -0.5925 | |
| 54 | T | A | -0.9498 | |
| 55 | S | A | -0.8953 | |
| 56 | T | A | -1.0960 | |
| 57 | N | A | -1.6715 | |
| 58 | P | A | -0.7730 | |
| 59 | S | A | 0.4074 | |
| 60 | V | A | 1.9937 | |
| 61 | F | A | 2.7527 | |
| 62 | W | A | 1.4011 | |
| 63 | T | A | -0.0847 | |
| 64 | E | A | -1.3738 | |
| 65 | V | A | -1.0587 | |
| 66 | R | A | -1.7870 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -2.2563 | |
| 69 | D | A | -2.7883 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.0676 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.5701 | |
| 74 | E | A | -2.0223 | |
| 75 | A | A | -1.1266 | |
| 76 | R | A | -1.6468 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.1675 | |
| 79 | D | A | -1.4057 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -0.8234 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | -0.2179 | |
| 85 | R | A | -1.0273 | |
| 86 | V | A | 0.7480 | |
| 87 | P | A | 0.5684 | |
| 88 | P | A | 0.6676 | |
| 89 | L | A | 1.5545 | |
| 90 | T | A | 0.1642 | |
| 91 | H | A | -0.6690 | |
| 92 | Q | A | -0.7392 | |
| 93 | V | A | 0.0288 | |
| 94 | M | A | 0.5750 | |
| 95 | Y | A | 0.7039 | |
| 96 | V | A | 0.8307 | |
| 97 | P | A | 0.1743 | |
| 98 | P | A | -0.2236 | |
| 99 | G | A | -0.4053 | |
| 100 | G | A | 0.0179 | |
| 101 | P | A | 0.1903 | |
| 102 | I | A | 1.0530 | |
| 103 | P | A | -0.6284 | |
| 104 | K | A | -1.9386 | |
| 105 | S | A | -1.1822 | |
| 106 | Y | A | -0.3493 | |
| 107 | E | A | -1.9501 | |
| 108 | D | A | -1.3739 | |
| 109 | F | A | 0.1425 | |
| 110 | A | A | 0.4119 | |
| 111 | W | A | 0.2994 | |
| 112 | Q | A | -0.2462 | |
| 113 | T | A | -0.4463 | |
| 114 | S | A | -0.7603 | |
| 115 | T | A | -0.9606 | |
| 116 | N | A | -1.2513 | |
| 117 | P | A | -0.5739 | |
| 118 | S | A | 0.4506 | |
| 119 | V | A | 1.9949 | |
| 120 | F | A | 2.6015 | |
| 121 | W | A | 1.6766 | |
| 122 | T | A | 0.1339 | |
| 123 | E | A | -0.9950 | |
| 124 | E | A | -1.2991 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.2587 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.1686 | |
| 129 | S | A | -1.9642 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.6324 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.6261 | |
| 134 | D | A | -0.0128 | |
| 135 | V | A | 0.9254 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.2863 | |
| 139 | C | A | -0.6752 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.4008 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.6364 | |
| 145 | Q | A | -1.4092 | |
| 146 | P | A | -0.5204 | |
| 147 | P | A | -0.0479 | |
| 148 | L | A | 1.1619 | |
| 149 | T | A | 0.2665 | |
| 150 | H | A | -0.5376 | |
| 151 | Q | A | -0.5167 | |
| 152 | V | A | 0.0000 | |
| 153 | M | A | 0.7020 | |
| 154 | Y | A | 0.8794 | |
| 155 | V | A | 0.4505 | |
| 156 | P | A | -0.1036 | |
| 157 | P | A | -0.5791 | |
| 158 | G | A | -0.6075 | |
| 159 | G | A | -0.3403 | |
| 160 | P | A | -0.2589 | |
| 161 | I | A | 0.2547 | |
| 162 | P | A | -0.8882 | |
| 163 | K | A | -2.0233 | |
| 164 | S | A | -1.1893 | |
| 165 | Y | A | -0.0789 | |
| 166 | E | A | -1.7526 | |
| 167 | D | A | -1.2374 | |
| 168 | F | A | 0.1989 | |
| 169 | A | A | 0.5657 | |
| 170 | W | A | 0.4031 | |
| 171 | Q | A | 0.1557 | |
| 172 | T | A | -0.2741 | |
| 173 | S | A | -0.4878 | |
| 174 | T | A | -0.7082 | |
| 175 | N | A | -1.0095 | |
| 176 | P | A | -0.3615 | |
| 177 | S | A | 0.4363 | |
| 178 | V | A | 1.6345 | |
| 179 | F | A | 1.9351 | |
| 180 | W | A | 1.0916 | |
| 181 | T | A | -0.3026 | |
| 182 | E | A | -1.4922 | |
| 183 | K | A | -1.7053 | |
| 184 | L | A | -0.8990 | |
| 185 | S | A | -0.8488 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.4680 | |
| 188 | N | A | -1.8714 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.3732 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.4719 | |
| 193 | G | A | 0.1501 | |
| 194 | A | A | 0.3561 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.1587 | |
| 198 | V | A | 0.2456 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.4875 | |
| 202 | T | A | -0.5368 | |
| 203 | L | A | -0.1039 | |
| 204 | R | A | -1.3467 | |
| 205 | T | A | -0.6646 | |
| 206 | P | A | -0.1376 | |
| 207 | P | A | 0.2317 | |
| 208 | L | A | 1.3994 | |
| 209 | T | A | 0.5017 | |
| 210 | H | A | 0.0015 | |
| 211 | Q | A | -0.2332 | |
| 212 | V | A | 0.4075 | |
| 213 | M | A | 0.8608 | |
| 214 | Y | A | 1.2556 | |
| 215 | V | A | 0.6672 | |
| 216 | P | A | -0.0115 | |
| 217 | P | A | -0.5861 | |
| 218 | G | A | -0.6587 | |
| 219 | G | A | -0.3512 | |
| 220 | P | A | -0.3708 | |
| 221 | I | A | 0.0633 | |
| 222 | P | A | -0.9345 | |
| 223 | K | A | -2.1105 | |
| 224 | S | A | -1.2620 | |
| 225 | Y | A | -0.2573 | |
| 226 | E | A | -1.8104 | |
| 227 | D | A | -1.3848 | |
| 228 | F | A | 0.0742 | |
| 229 | A | A | 0.0000 | |
| 230 | W | A | 0.3738 | |
| 231 | Q | A | 0.2097 | |
| 232 | T | A | -0.2882 | |
| 233 | S | A | -0.4890 | |
| 234 | T | A | -0.7384 | |
| 235 | N | A | -1.1140 | |
| 236 | P | A | -0.4310 | |
| 237 | S | A | 0.2024 | |
| 238 | V | A | 1.2771 | |
| 239 | F | A | 1.8640 | |
| 240 | W | A | 1.2045 | |
| 241 | T | A | -0.4223 | |
| 242 | E | A | -1.7319 | |
| 243 | E | A | -1.5493 | |
| 244 | L | A | -0.7557 | |
| 245 | H | A | -0.8914 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -1.1563 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.2653 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0470 | |
| 253 | D | A | -0.5337 | |
| 254 | A | A | -0.2984 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -1.0668 | |
| 258 | L | A | -0.1424 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.3896 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.2985 | |
| 264 | L | A | 0.4913 | |
| 265 | P | A | 0.5607 | |
| 266 | P | A | 0.5892 | |
| 267 | L | A | 1.5413 | |
| 268 | T | A | 0.4581 | |
| 269 | H | A | -0.1414 | |
| 270 | Q | A | -0.5148 | |
| 271 | V | A | 0.0000 | |
| 272 | M | A | 0.6574 | |
| 273 | Y | A | 1.0652 | |
| 274 | V | A | 0.5997 | |
| 275 | P | A | -0.0871 | |
| 276 | P | A | -0.6175 | |
| 277 | G | A | -0.6950 | |
| 278 | G | A | -0.4081 | |
| 279 | P | A | -0.4162 | |
| 280 | I | A | -0.3275 | |
| 281 | P | A | -1.1525 | |
| 282 | K | A | -2.2352 | |
| 283 | S | A | -1.3364 | |
| 284 | Y | A | -0.3156 | |
| 285 | E | A | -1.9376 | |
| 286 | D | A | -1.6246 | |
| 287 | F | A | -0.4155 | |
| 288 | A | A | 0.0000 | |
| 289 | W | A | 0.1775 | |
| 290 | Q | A | 0.1259 | |
| 291 | T | A | -0.3446 | |
| 292 | S | A | -0.6098 | |
| 293 | T | A | -1.0212 | |
| 294 | N | A | -1.5626 | |
| 295 | P | A | -0.6715 | |
| 296 | S | A | 0.1045 | |
| 297 | V | A | 1.3838 | |
| 298 | F | A | 1.7545 | |
| 299 | W | A | 0.8647 | |
| 300 | T | A | -0.4403 | |
| 301 | E | A | -1.4699 | |
| 302 | K | A | -1.5224 | |
| 303 | L | A | -0.7614 | |
| 304 | Q | A | -0.5422 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.6832 | |
| 307 | Y | A | 0.0296 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.3498 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9716 | |
| 312 | A | A | -1.1438 | |
| 313 | A | A | -0.6463 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -1.9937 | |
| 317 | P | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -1.0815 | |
| 321 | V | A | -0.3772 | |
| 322 | L | A | -0.9117 | |
| 323 | R | A | -2.0708 | |
| 324 | A | A | -0.4972 | |
| 325 | P | A | -0.0652 | |
| 326 | P | A | 0.4574 | |
| 327 | L | A | 1.3476 | |
| 328 | T | A | 0.3560 | |
| 329 | H | A | -0.2373 | |
| 330 | Q | A | -0.5534 | |
| 331 | V | A | 0.0000 | |
| 332 | M | A | 0.5129 | |
| 333 | Y | A | 0.8768 | |
| 334 | V | A | 0.5221 | |
| 335 | P | A | -0.0620 | |
| 336 | P | A | -0.5734 | |
| 337 | G | A | -0.6403 | |
| 338 | G | A | -0.3781 | |
| 339 | P | A | -0.4945 | |
| 340 | I | A | -0.2241 | |
| 341 | P | A | 0.0000 | |
| 342 | K | A | -2.3909 | |
| 343 | S | A | -1.6320 | |
| 344 | Y | A | -0.5284 | |
| 345 | E | A | -2.2322 | |
| 346 | D | A | -1.7768 | |
| 347 | F | A | -0.3584 | |
| 348 | A | A | 0.4472 | |
| 349 | W | A | 0.2145 | |
| 350 | Q | A | 0.1037 | |
| 351 | T | A | -0.4200 | |
| 352 | S | A | -0.8062 | |
| 353 | T | A | -1.2630 | |
| 354 | N | A | -1.9239 | |
| 355 | P | A | -0.8544 | |
| 356 | S | A | 0.0738 | |
| 357 | V | A | 1.2865 | |
| 358 | F | A | 1.7293 | |
| 359 | W | A | 0.9355 | |
| 360 | T | A | -0.3717 | |
| 361 | E | A | -1.3704 | |
| 362 | E | A | -1.4559 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | -0.9902 | |
| 367 | N | A | -1.5012 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.3014 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.7959 | |
| 372 | E | A | -2.2745 | |
| 373 | A | A | -1.1678 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.1211 | |
| 377 | V | A | -1.1369 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.0537 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -1.2566 | |
| 383 | K | A | -2.2889 | |
| 384 | D | A | -2.5594 | |
| 385 | P | A | -1.0989 | |
| 386 | P | A | -0.3425 | |
| 387 | L | A | 0.8507 | |
| 388 | T | A | -0.1071 | |
| 389 | H | A | -0.8216 | |
| 390 | Q | A | -0.8626 | |
| 391 | V | A | 0.0000 | |
| 392 | M | A | 0.4494 | |
| 393 | Y | A | 0.7728 | |
| 394 | V | A | 0.7199 | |
| 395 | P | A | 0.0615 | |
| 396 | P | A | -0.4518 | |
| 397 | G | A | -0.4459 | |
| 398 | G | A | -0.0514 | |
| 399 | P | A | 0.0378 | |
| 400 | I | A | 0.9158 | |
| 401 | P | A | -0.7061 | |
| 402 | K | A | -2.0185 | |
| 403 | S | A | -1.2884 | |
| 404 | Y | A | -0.2566 | |
| 405 | E | A | -2.0531 | |
| 406 | D | A | -1.5419 | |
| 407 | F | A | -0.0171 | |
| 408 | A | A | 0.4099 | |
| 409 | W | A | 0.1093 | |
| 410 | Q | A | 0.1574 | |
| 411 | T | A | -0.4777 | |
| 412 | S | A | -0.9007 | |
| 413 | T | A | -1.1455 | |
| 414 | N | A | -1.6087 | |
| 415 | P | A | -0.7022 | |
| 416 | S | A | 0.2624 | |
| 417 | V | A | 1.5908 | |
| 418 | F | A | 1.8733 | |
| 419 | W | A | 0.9587 | |
| 420 | T | A | -0.3758 | |
| 421 | E | A | -1.3216 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | -0.7164 | |
| 424 | K | A | -0.7951 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.7499 | |
| 427 | S | A | -1.5402 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.7493 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.6718 | |
| 432 | S | A | -1.4925 | |
| 433 | D | A | -2.7370 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.5980 | |
| 437 | D | A | -1.9611 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.5854 | |
| 440 | G | A | -0.8405 | |
| 441 | I | A | -0.5288 | |
| 442 | V | A | 0.2544 | |
| 443 | A | A | 0.2552 | |
| 444 | S | A | -0.2000 | |
| 445 | P | A | 0.4086 | |
| 446 | P | A | 0.3983 | |
| 447 | L | A | 1.2215 | |
| 448 | T | A | 0.0822 | |
| 449 | H | A | -0.5878 | |
| 450 | Q | A | -0.6225 | |
| 451 | V | A | 0.0000 | |
| 452 | M | A | 0.5838 | |
| 453 | Y | A | 0.9200 | |
| 454 | V | A | 0.7130 | |
| 455 | P | A | 0.0271 | |
| 456 | P | A | -0.4916 | |
| 457 | G | A | -0.5441 | |
| 458 | G | A | -0.1071 | |
| 459 | P | A | -0.1608 | |
| 460 | I | A | 0.2114 | |
| 461 | P | A | -1.0771 | |
| 462 | K | A | -2.1974 | |
| 463 | S | A | -1.4389 | |
| 464 | Y | A | -0.3443 | |
| 465 | E | A | -2.2996 | |
| 466 | D | A | -1.8136 | |
| 467 | F | A | -0.1181 | |
| 468 | A | A | 0.5114 | |
| 469 | W | A | 0.2432 | |
| 470 | Q | A | 0.1558 | |
| 471 | T | A | -0.3866 | |
| 472 | S | A | -0.6474 | |
| 473 | T | A | -0.8715 | |
| 474 | N | A | -1.1436 | |
| 475 | P | A | -0.4690 | |
| 476 | S | A | 0.3608 | |
| 477 | V | A | 1.6665 | |
| 478 | F | A | 1.9276 | |
| 479 | W | A | 0.9011 | |
| 480 | T | A | -0.4521 | |
| 481 | E | A | -1.5052 | |
| 482 | E | A | -1.5008 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.3554 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.2655 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.9252 | |
| 492 | D | A | -0.4171 | |
| 493 | V | A | 0.5307 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.4633 | |
| 497 | E | A | -1.2671 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.5492 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.7993 | |
| 503 | L | A | 0.7735 | |
| 504 | P | A | 0.7631 | |
| 505 | P | A | 0.8311 | |
| 506 | L | A | 1.4187 | |
| 507 | T | A | 0.2246 | |
| 508 | H | A | -0.5140 | |
| 509 | Q | A | -0.7461 | |
| 510 | V | A | 0.0000 | |
| 511 | M | A | 0.5874 | |
| 512 | Y | A | 0.8553 | |
| 513 | V | A | 0.8581 | |
| 514 | P | A | 0.0846 | |
| 515 | P | A | -0.3148 | |
| 516 | G | A | -0.4186 | |
| 517 | G | A | -0.0198 | |
| 518 | P | A | 0.1943 | |
| 519 | I | A | 1.0857 | |
| 520 | P | A | -0.5939 | |
| 521 | K | A | -1.8836 | |
| 522 | S | A | -1.1717 | |
| 523 | Y | A | -0.1788 | |
| 524 | E | A | -1.8366 | |
| 525 | D | A | -1.3626 | |
| 526 | F | A | 0.2029 | |
| 527 | A | A | 0.5761 | |
| 528 | W | A | 0.2576 | |
| 529 | Q | A | 0.0963 | |
| 530 | T | A | -0.3358 | |
| 531 | S | A | -0.5389 | |
| 532 | T | A | -0.7474 | |
| 533 | N | A | -1.0451 | |
| 534 | P | A | -0.3963 | |
| 535 | S | A | 0.2876 | |
| 536 | V | A | 1.3093 | |
| 537 | F | A | 1.8558 | |
| 538 | W | A | 1.0969 | |
| 539 | T | A | -0.5015 | |
| 540 | E | A | -1.8983 | |
| 541 | T | A | -1.2514 | |
| 542 | L | A | -0.3481 | |
| 543 | W | A | 0.1427 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.6572 | |
| 546 | E | A | -2.4356 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.9300 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.6314 | |
| 551 | A | A | -1.8235 | |
| 552 | K | A | -2.0827 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | 0.0000 | |
| 556 | D | A | -1.6698 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.1966 | |
| 560 | V | A | 0.0000 | |
| 561 | L | A | -0.4121 | |
| 562 | R | A | -1.5291 | |
| 563 | A | A | -0.5356 | |
| 564 | P | A | -0.0674 | |
| 565 | P | A | 0.5414 | |
| 566 | L | A | 1.2832 | |
| 567 | T | A | 0.2430 | |
| 568 | H | A | -0.3647 | |
| 569 | Q | A | -0.4115 | |
| 570 | V | A | 0.0000 | |
| 571 | M | A | 0.7411 | |
| 572 | Y | A | 1.2543 | |
| 573 | V | A | 0.8418 | |
| 574 | P | A | 0.1466 | |
| 575 | P | A | -0.4517 | |
| 576 | G | A | -0.5401 | |
| 577 | G | A | -0.1434 | |
| 578 | P | A | -0.1563 | |
| 579 | I | A | 0.3073 | |
| 580 | P | A | -0.8197 | |
| 581 | K | A | -2.0580 | |
| 582 | S | A | -1.2579 | |
| 583 | Y | A | -0.3327 | |
| 584 | E | A | -1.7858 | |
| 585 | D | A | -1.3551 | |
| 586 | F | A | -0.0164 | |
| 587 | A | A | 0.0000 | |
| 588 | W | A | 0.3639 | |
| 589 | Q | A | 0.2788 | |
| 590 | T | A | -0.2683 | |
| 591 | S | A | -0.5051 | |
| 592 | T | A | -0.7158 | |
| 593 | N | A | -0.9814 | |
| 594 | P | A | -0.3939 | |
| 595 | S | A | 0.2948 | |
| 596 | V | A | 1.3942 | |
| 597 | F | A | 1.7780 | |
| 598 | W | A | 0.7967 | |
| 599 | T | A | -0.4419 | |
| 600 | E | A | -1.4449 | |
| 601 | E | A | -1.2678 | |
| 602 | L | A | 0.0000 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.8171 | |
| 606 | G | A | -1.5773 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.5682 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4146 | |
| 611 | D | A | -1.5283 | |
| 612 | E | A | -1.8534 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.6053 | |
| 616 | L | A | -1.5392 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -1.6924 | |
| 620 | T | A | -0.8829 | |
| 621 | L | A | 0.3780 | |
| 622 | L | A | 0.4587 | |
| 623 | P | A | 0.4338 | |
| 624 | P | A | 0.4697 | |
| 625 | L | A | 1.1719 | |
| 626 | T | A | -0.0164 | |
| 627 | H | A | -0.9859 | |
| 628 | Q | A | -0.8706 | |
| 629 | V | A | 0.1439 | |
| 630 | M | A | 0.8337 | |
| 631 | Y | A | 1.2179 | |
| 632 | V | A | 0.6128 | |
| 633 | P | A | -0.0458 | |
| 634 | P | A | -0.5318 | |
| 635 | G | A | -0.6514 | |
| 636 | G | A | -0.3045 | |
| 637 | P | A | -0.4673 | |
| 638 | I | A | -0.3521 | |
| 639 | P | A | -1.2049 | |
| 640 | K | A | -2.2809 | |
| 641 | S | A | -1.5118 | |
| 642 | Y | A | -0.4393 | |
| 643 | E | A | -1.8811 | |
| 644 | D | A | -1.5980 | |
| 645 | F | A | -0.0353 | |
| 646 | A | A | 0.0000 | |
| 647 | W | A | 0.3075 | |
| 648 | Q | A | 0.2348 | |
| 649 | T | A | -0.2050 | |
| 650 | S | A | -0.4501 | |
| 651 | T | A | -0.6463 | |
| 652 | N | A | -0.8683 | |
| 653 | P | A | -0.3064 | |
| 654 | S | A | 0.3650 | |
| 655 | V | A | 1.3490 | |
| 656 | F | A | 1.7184 | |
| 657 | W | A | 0.8789 | |
| 658 | T | A | -0.4567 | |
| 659 | E | A | -1.6033 | |
| 660 | S | A | -1.0201 | |
| 661 | L | A | -0.3864 | |
| 662 | W | A | 0.2410 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -0.7224 | |
| 665 | S | A | -1.6640 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5397 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.1388 | |
| 670 | A | A | -1.1540 | |
| 671 | A | A | -0.7519 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.7687 | |
| 675 | H | A | -1.0168 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.6809 | |
| 678 | S | A | -0.5260 | |
| 679 | V | A | 0.1353 | |
| 680 | L | A | 0.1740 | |
| 681 | A | A | -0.1733 | |
| 682 | Q | A | 0.1157 | |
| 683 | P | A | 0.1820 | |
| 684 | P | A | 0.3341 | |
| 685 | L | A | 0.7213 | |
| 686 | T | A | -0.3424 | |
| 687 | H | A | -0.9166 | |
| 688 | Q | A | -0.8184 | |
| 689 | V | A | 0.1138 | |
| 690 | M | A | 0.7159 | |
| 691 | Y | A | 1.0051 | |
| 692 | V | A | 0.5883 | |
| 693 | P | A | -0.0345 | |
| 694 | P | A | -0.5375 | |
| 695 | G | A | -0.5958 | |
| 696 | G | A | -0.3094 | |
| 697 | P | A | -0.3189 | |
| 698 | I | A | 0.0382 | |
| 699 | P | A | -0.9575 | |
| 700 | K | A | -2.1196 | |
| 701 | S | A | -1.2675 | |
| 702 | Y | A | -0.2960 | |
| 703 | E | A | -1.8125 | |
| 704 | D | A | -1.4565 | |
| 705 | F | A | 0.1182 | |
| 706 | A | A | 0.0000 | |
| 707 | W | A | 0.2597 | |
| 708 | Q | A | 0.0656 | |
| 709 | T | A | -0.3130 | |
| 710 | S | A | -0.4297 | |
| 711 | T | A | -0.6034 | |
| 712 | N | A | -0.8066 | |
| 713 | P | A | -0.3385 | |
| 714 | S | A | 0.3472 | |
| 715 | V | A | 1.3568 | |
| 716 | F | A | 1.6582 | |
| 717 | W | A | 0.7325 | |
| 718 | T | A | -0.3530 | |
| 719 | E | A | -1.1939 | |
| 720 | E | A | -0.9613 | |
| 721 | L | A | 0.0000 | |
| 722 | Q | A | 0.0000 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.3469 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -3.0821 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.6953 | |
| 730 | D | A | -1.9584 | |
| 731 | A | A | -1.1374 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -2.1704 | |
| 735 | E | A | -1.7308 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.7097 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | -0.2234 | |
| 741 | G | A | -0.3718 | |
| 742 | P | A | 0.2936 | |
| 743 | P | A | 0.4237 | |
| 744 | L | A | 1.2831 | |
| 745 | T | A | 0.2452 | |
| 746 | H | A | -0.7719 | |
| 747 | Q | A | -0.7593 | |
| 748 | V | A | 0.2450 | |
| 749 | M | A | 0.7838 | |
| 750 | Y | A | 1.0883 | |
| 751 | V | A | 0.5362 | |
| 752 | P | A | -0.0673 | |
| 753 | P | A | -0.5850 | |
| 754 | G | A | -0.6534 | |
| 755 | G | A | -0.3630 | |
| 756 | P | A | -0.3351 | |
| 757 | I | A | -0.1153 | |
| 758 | P | A | -1.1385 | |
| 759 | K | A | -2.2592 | |
| 760 | S | A | -1.4635 | |
| 761 | Y | A | -0.3832 | |
| 762 | E | A | -1.9163 | |
| 763 | D | A | -1.7007 | |
| 764 | F | A | -0.1227 | |
| 765 | A | A | 0.0000 | |
| 766 | W | A | 0.1449 | |
| 767 | Q | A | 0.0773 | |
| 768 | T | A | -0.3602 | |
| 769 | S | A | -0.4581 | |
| 770 | T | A | -0.6157 | |
| 771 | N | A | -0.8649 | |
| 772 | P | A | -0.3838 | |
| 773 | S | A | 0.2667 | |
| 774 | V | A | 1.0784 | |
| 775 | F | A | 1.5022 | |
| 776 | W | A | 0.6993 | |
| 777 | T | A | -0.3310 | |
| 778 | E | A | -1.1713 | |
| 779 | V | A | -0.5846 | |
| 780 | L | A | -0.0577 | |
| 781 | W | A | 0.1432 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | -1.4456 | |
| 784 | D | A | -3.0657 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -2.7294 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.7288 | |
| 789 | D | A | -0.7781 | |
| 790 | S | A | -0.9120 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.5004 | |
| 794 | S | A | -0.7367 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | 0.2635 | |
| 798 | T | A | 0.2749 | |
| 799 | L | A | 0.7568 | |
| 800 | L | A | 0.7332 | |
| 801 | A | A | 0.7399 | |
| 802 | P | A | 0.4725 | |
| 803 | P | A | 0.7894 | |
| 804 | L | A | 1.3714 | |
| 805 | T | A | 0.3276 | |
| 806 | H | A | -0.3336 | |
| 807 | Q | A | -0.4901 | |
| 808 | V | A | 0.0000 | |
| 809 | M | A | 0.6081 | |
| 810 | Y | A | 0.9148 | |
| 811 | V | A | 0.6697 | |
| 812 | P | A | -0.0001 | |
| 813 | P | A | -0.5764 | |
| 814 | G | A | -0.6210 | |
| 815 | G | A | -0.2316 | |
| 816 | P | A | -0.4355 | |
| 817 | I | A | -0.1056 | |
| 818 | P | A | -1.3985 | |
| 819 | K | A | -2.4290 | |
| 820 | S | A | -1.7718 | |
| 821 | Y | A | -0.7051 | |
| 822 | E | A | -2.3879 | |
| 823 | D | A | -2.0702 | |
| 824 | F | A | -0.6616 | |
| 825 | A | A | 0.1098 | |
| 826 | W | A | 0.2199 | |
| 827 | Q | A | 0.0428 | |
| 828 | T | A | -0.4267 | |
| 829 | S | A | -0.5535 | |
| 830 | T | A | -0.6529 | |
| 831 | N | A | -0.8844 | |
| 832 | P | A | -0.4158 | |
| 833 | S | A | 0.2759 | |
| 834 | V | A | 1.1345 | |
| 835 | F | A | 1.4563 | |
| 836 | W | A | 0.0000 | |
| 837 | T | A | -0.3158 | |
| 838 | E | A | -1.0048 | |
| 839 | E | A | -0.8576 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -2.2065 | |
| 845 | N | A | -1.5343 | |
| 846 | C | A | -0.3438 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.0817 | |
| 849 | D | A | -1.1183 | |
| 850 | A | A | -0.4926 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.5606 | |
| 854 | Q | A | -0.9206 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | -0.5267 | |
| 857 | E | A | -1.9531 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | -0.5646 | |
| 860 | R | A | -1.8071 | |
| 861 | P | A | -0.7560 | |
| 862 | P | A | 0.1106 | |
| 863 | L | A | 0.8648 | |
| 864 | T | A | 0.1028 | |
| 865 | H | A | -0.5624 | |
| 866 | Q | A | -0.2571 | |
| 867 | V | A | 0.3632 | |
| 868 | M | A | 0.9446 | |
| 869 | Y | A | 1.1878 | |
| 870 | V | A | 0.8608 | |
| 871 | P | A | 0.1197 | |
| 872 | P | A | -0.5107 | |
| 873 | G | A | -0.4313 | |
| 874 | G | A | 0.0213 | |
| 875 | P | A | 0.1436 | |
| 876 | I | A | 1.0614 | |
| 877 | P | A | -0.6350 | |
| 878 | K | A | -1.8613 | |
| 879 | S | A | -1.2006 | |
| 880 | Y | A | -0.3821 | |
| 881 | E | A | -2.1313 | |
| 882 | D | A | -1.7395 | |
| 883 | F | A | -0.3315 | |
| 884 | A | A | 0.4203 | |
| 885 | W | A | 0.3591 | |
| 886 | Q | A | 0.2349 | |
| 887 | T | A | -0.3380 | |
| 888 | S | A | -0.5164 | |
| 889 | T | A | -0.7848 | |
| 890 | N | A | -1.0963 | |
| 891 | P | A | -0.3080 | |
| 892 | S | A | 0.7474 | |
| 893 | V | A | 2.0802 | |
| 894 | F | A | 2.6377 | |
| 895 | W | A | 1.4685 | |
| 896 | T | A | -0.3953 | |
| 897 | E | A | -1.4419 | |
| 898 | Q | A | -1.2213 | |
| 899 | L | A | -0.1004 | |
| 900 | V | A | 0.0000 | |
| 901 | L | A | 0.0000 | |
| 902 | Y | A | -0.1902 | |
| 903 | D | A | -1.6239 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.5822 | |
| 906 | W | A | -0.4914 | |
| 907 | S | A | -1.8977 | |
| 908 | E | A | -3.4620 | |
| 909 | E | A | -3.8329 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.1801 | |
| 912 | D | A | -3.6683 | |
| 913 | R | A | -2.8901 | |
| 914 | L | A | -1.7273 | |
| 915 | Q | A | -2.3588 | |
| 916 | A | A | -2.1334 | |
| 917 | L | A | -1.3424 | |
| 918 | E | A | -3.1266 | |
| 919 | K | A | -3.3096 | |
| 920 | D | A | -2.7133 | |
| 921 | P | A | -1.8161 | |
| 922 | P | A | -0.7454 | |
| 923 | L | A | 0.7135 | |
| 924 | T | A | 0.0130 | |
| 925 | H | A | -0.9169 | |
| 926 | Q | A | -0.8091 | |
| 927 | V | A | 0.2193 | |
| 928 | M | A | 0.7344 | |
| 929 | Y | A | 1.4743 | |
| 930 | V | A | 1.0654 | |
| 931 | P | A | 0.1922 | |
| 932 | P | A | -0.4460 | |
| 933 | G | A | -0.4315 | |
| 934 | G | A | 0.1144 | |
| 935 | P | A | 0.1604 | |
| 936 | I | A | 1.1465 | |
| 937 | P | A | -0.4370 | |
| 938 | K | A | -1.6761 | |
| 939 | S | A | -1.1986 | |
| 940 | Y | A | -0.3694 | |
| 941 | E | A | -2.1202 | |
| 942 | D | A | -1.9013 | |
| 943 | F | A | -0.2866 | |
| 944 | A | A | 0.2592 | |
| 945 | W | A | 0.7268 | |
| 946 | Q | A | 0.0406 | |
| 947 | T | A | -0.3653 | |
| 948 | S | A | -0.7086 | |
| 949 | T | A | -0.9803 | |
| 950 | N | A | -1.3693 | |
| 951 | P | A | -0.2739 | |
| 952 | S | A | 0.9382 | |
| 953 | V | A | 3.1002 | |
| 954 | F | A | 3.6643 | |
| 955 | W | A | 2.0488 | |
| 956 | T | A | -0.2621 | |
| 957 | E | A | -2.5271 | |
| 958 | R | A | -2.1389 | |
| 959 | V | A | 0.0621 | |
| 960 | I | A | 0.5270 | |
| 961 | S | A | 0.2717 |
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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, -0.3697 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 | -0.3697 | View | CSV | PDB |
| model_7 | -0.4703 | View | CSV | PDB |
| model_2 | -0.4792 | View | CSV | PDB |
| model_1 | -0.4814 | View | CSV | PDB |
| model_4 | -0.4818 | View | CSV | PDB |
| model_10 | -0.4818 | View | CSV | PDB |
| model_0 | -0.4911 | View | CSV | PDB |
| CABS_average | -0.492 | View | CSV | PDB |
| model_3 | -0.4958 | View | CSV | PDB |
| model_8 | -0.4977 | View | CSV | PDB |
| model_9 | -0.4996 | View | CSV | PDB |
| model_11 | -0.5055 | View | CSV | PDB |
| model_5 | -0.5095 | View | CSV | PDB |
| model_6 | -0.5108 | 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