Project name: C23_B3_EF_E30_EF_DIRECT
Status: done
Started: 2026-07-21 10:55:14
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQEAEMGCATLDNTPSSAELLGVRLDDCGLTEARCKDISSALRVEAEMGCATLDNTPSSAELLGELNLRSNELGDVGVHCVLQGLQEAEMGCATLDNTPSSAELLGKLSLQNCCLTGAGCGVLSSTLRTEAEMGCATLDNTPSSAELLGELHLSDNLLGDAGLQLLCEGLLEAEMGCATLDNTPSSAELLGKLQLEYCSLSAASCEPLASVLRAEAEMGCATLDNTPSSAELLGELTVSNNDINEAGVRVLCQGLKDEAEMGCATLDNTPSSAELLGALKLESCGVTSDNCRDLCGIVASEAEMGCATLDNTPSSAELLGELALGSNKLGDVGMAELCPGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTERVIS
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 (00:15:07)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:50:03)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:50:12)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:50:21)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:50:30)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:50:40)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:50:49)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:50:59)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:51:09)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:51:18)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:51:27)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:51:36)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:51:46)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:51:57)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:52:20)
[INFO] Main: Simulation completed successfully. (03:52:31)
|
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
- -4.0864
- Maximal score value
- 2.6451
- Average score
- -0.4918
- Total score value
- -405.7264
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 | 0.1622 | |
| 2 | L | A | 0.6250 | |
| 3 | D | A | -1.0895 | |
| 4 | I | A | -0.5337 | |
| 5 | Q | A | -1.4851 | |
| 6 | S | A | -1.4464 | |
| 7 | L | A | -0.9568 | |
| 8 | D | A | -2.2920 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.4600 | |
| 11 | C | A | -1.4022 | |
| 12 | E | A | -2.3309 | |
| 13 | E | A | -3.0731 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.1477 | |
| 16 | D | A | -2.5555 | |
| 17 | A | A | -1.6904 | |
| 18 | R | A | -2.2343 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4225 | |
| 21 | E | A | -2.1320 | |
| 22 | L | A | -1.0771 | |
| 23 | L | A | -0.7008 | |
| 24 | P | A | -0.9368 | |
| 25 | L | A | -0.5008 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -1.1441 | |
| 28 | E | A | -1.6228 | |
| 29 | A | A | -1.1177 | |
| 30 | E | A | -0.8158 | |
| 31 | M | A | -0.0594 | |
| 32 | G | A | -0.2359 | |
| 33 | C | A | 0.5072 | |
| 34 | A | A | 0.4233 | |
| 35 | T | A | 0.2510 | |
| 36 | L | A | 0.2729 | |
| 37 | D | A | -1.7980 | |
| 38 | N | A | -2.1478 | |
| 39 | T | A | -0.9453 | |
| 40 | P | A | -0.7302 | |
| 41 | S | A | -0.5063 | |
| 42 | S | A | -0.9332 | |
| 43 | A | A | -1.0685 | |
| 44 | E | A | -2.1823 | |
| 45 | L | A | -1.0967 | |
| 46 | L | A | 0.0000 | |
| 47 | G | A | -1.0969 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -1.9010 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | -2.2673 | |
| 52 | D | A | -2.7608 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | -2.0373 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.1802 | |
| 57 | E | A | -1.3614 | |
| 58 | A | A | -0.8138 | |
| 59 | R | A | -1.3262 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -1.9744 | |
| 62 | D | A | -1.4223 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | S | A | -1.1661 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -1.4882 | |
| 69 | V | A | -1.1481 | |
| 70 | E | A | -0.9405 | |
| 71 | A | A | 0.0000 | |
| 72 | E | A | -1.9921 | |
| 73 | M | A | -0.5741 | |
| 74 | G | A | -0.3357 | |
| 75 | C | A | -0.2982 | |
| 76 | A | A | -0.4531 | |
| 77 | T | A | -0.4983 | |
| 78 | L | A | -0.8398 | |
| 79 | D | A | -2.6227 | |
| 80 | N | A | -2.6112 | |
| 81 | T | A | -1.5707 | |
| 82 | P | A | -1.0214 | |
| 83 | S | A | -0.5257 | |
| 84 | S | A | -0.7799 | |
| 85 | A | A | -0.6879 | |
| 86 | E | A | -1.2605 | |
| 87 | L | A | -0.5728 | |
| 88 | L | A | 0.0000 | |
| 89 | G | A | -0.9122 | |
| 90 | E | A | -0.6653 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -1.6686 | |
| 95 | S | A | -1.7416 | |
| 96 | N | A | 0.0000 | |
| 97 | E | A | -2.3112 | |
| 98 | L | A | 0.0000 | |
| 99 | G | A | -0.5182 | |
| 100 | D | A | -0.2083 | |
| 101 | V | A | 0.4881 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.5727 | |
| 105 | C | A | -0.7735 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -1.6857 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -1.2507 | |
| 112 | E | A | -2.2207 | |
| 113 | A | A | 0.0000 | |
| 114 | E | A | 0.0000 | |
| 115 | M | A | -0.0195 | |
| 116 | G | A | -0.7876 | |
| 117 | C | A | 0.0000 | |
| 118 | A | A | 0.1830 | |
| 119 | T | A | -0.2789 | |
| 120 | L | A | -1.0565 | |
| 121 | D | A | -2.8772 | |
| 122 | N | A | -2.8780 | |
| 123 | T | A | -1.8476 | |
| 124 | P | A | -1.2290 | |
| 125 | S | A | -0.5723 | |
| 126 | S | A | -0.5416 | |
| 127 | A | A | -0.4982 | |
| 128 | E | A | -1.0474 | |
| 129 | L | A | -0.3633 | |
| 130 | L | A | 0.0000 | |
| 131 | G | A | -0.7616 | |
| 132 | K | A | -0.7573 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -0.9360 | |
| 137 | N | A | -1.3522 | |
| 138 | C | A | 0.0000 | |
| 139 | C | A | -0.1100 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | 0.5205 | |
| 142 | G | A | 0.0885 | |
| 143 | A | A | 0.2888 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.2795 | |
| 147 | V | A | 0.0045 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | -0.7342 | |
| 150 | S | A | -0.7758 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | -1.8968 | |
| 154 | T | A | -1.1875 | |
| 155 | E | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | E | A | -2.0788 | |
| 158 | M | A | -0.6741 | |
| 159 | G | A | 0.0000 | |
| 160 | C | A | -0.6791 | |
| 161 | A | A | -0.6588 | |
| 162 | T | A | -1.3153 | |
| 163 | L | A | 0.0000 | |
| 164 | D | A | -3.2559 | |
| 165 | N | A | -2.9459 | |
| 166 | T | A | -1.7545 | |
| 167 | P | A | -1.0808 | |
| 168 | S | A | 0.0000 | |
| 169 | S | A | -0.5303 | |
| 170 | A | A | 0.0000 | |
| 171 | E | A | -0.8497 | |
| 172 | L | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | -0.8233 | |
| 175 | E | A | -0.8743 | |
| 176 | L | A | 0.0000 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | D | A | -0.4967 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | 1.4836 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | 0.0298 | |
| 185 | D | A | -0.6227 | |
| 186 | A | A | -0.4178 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -1.4417 | |
| 190 | L | A | -0.4850 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -2.2125 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | -0.9184 | |
| 197 | E | A | -2.0078 | |
| 198 | A | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | M | A | 0.1907 | |
| 201 | G | A | -0.6055 | |
| 202 | C | A | 0.0000 | |
| 203 | A | A | -0.0472 | |
| 204 | T | A | -0.3849 | |
| 205 | L | A | -1.4348 | |
| 206 | D | A | -3.0201 | |
| 207 | N | A | -3.1246 | |
| 208 | T | A | -2.1332 | |
| 209 | P | A | -1.1634 | |
| 210 | S | A | -0.5294 | |
| 211 | S | A | -0.6713 | |
| 212 | A | A | -0.6673 | |
| 213 | E | A | -1.0840 | |
| 214 | L | A | -0.5432 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | -0.9345 | |
| 217 | K | A | -0.7631 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | -0.5511 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -0.3704 | |
| 222 | Y | A | 0.5154 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.1030 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.0079 | |
| 227 | A | A | -1.1936 | |
| 228 | A | A | -0.5681 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -1.8963 | |
| 232 | P | A | -1.2628 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | S | A | -0.7617 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -1.2412 | |
| 239 | A | A | -0.6500 | |
| 240 | E | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | E | A | -1.8959 | |
| 243 | M | A | 0.0000 | |
| 244 | G | A | -0.6929 | |
| 245 | C | A | -0.5943 | |
| 246 | A | A | -0.6705 | |
| 247 | T | A | -1.3071 | |
| 248 | L | A | -1.7814 | |
| 249 | D | A | -3.2016 | |
| 250 | N | A | -2.8766 | |
| 251 | T | A | -1.6842 | |
| 252 | P | A | -0.9208 | |
| 253 | S | A | -0.8363 | |
| 254 | S | A | -0.8773 | |
| 255 | A | A | -1.0928 | |
| 256 | E | A | -1.9355 | |
| 257 | L | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | G | A | -0.9564 | |
| 260 | E | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | T | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | N | A | -0.6777 | |
| 266 | N | A | 0.0000 | |
| 267 | D | A | -2.1674 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -2.1323 | |
| 270 | E | A | -2.3627 | |
| 271 | A | A | -1.1714 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -2.8241 | |
| 275 | V | A | -1.2609 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -1.8073 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -1.3485 | |
| 282 | D | A | -1.7687 | |
| 283 | E | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | E | A | -1.9751 | |
| 286 | M | A | -1.2132 | |
| 287 | G | A | -0.7993 | |
| 288 | C | A | -0.3970 | |
| 289 | A | A | -0.3938 | |
| 290 | T | A | -0.8013 | |
| 291 | L | A | -1.2959 | |
| 292 | D | A | -3.0559 | |
| 293 | N | A | -3.0849 | |
| 294 | T | A | 0.0000 | |
| 295 | P | A | -1.1763 | |
| 296 | S | A | 0.0000 | |
| 297 | S | A | -1.1134 | |
| 298 | A | A | -1.4060 | |
| 299 | E | A | -2.2105 | |
| 300 | L | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -1.0924 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -0.5675 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -0.6989 | |
| 308 | S | A | -1.1706 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -1.6450 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -1.6089 | |
| 313 | S | A | -1.4384 | |
| 314 | D | A | -2.6456 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -2.6203 | |
| 318 | D | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | -0.5783 | |
| 321 | G | A | -0.7005 | |
| 322 | I | A | -0.2856 | |
| 323 | V | A | 0.1007 | |
| 324 | A | A | -0.2734 | |
| 325 | S | A | -1.0721 | |
| 326 | E | A | -1.2857 | |
| 327 | A | A | -0.8705 | |
| 328 | E | A | -1.6248 | |
| 329 | M | A | -0.9943 | |
| 330 | G | A | -0.8190 | |
| 331 | C | A | 0.3499 | |
| 332 | A | A | -0.1745 | |
| 333 | T | A | -0.6716 | |
| 334 | L | A | -0.8520 | |
| 335 | D | A | -2.8582 | |
| 336 | N | A | -2.3175 | |
| 337 | T | A | 0.0000 | |
| 338 | P | A | -0.5647 | |
| 339 | S | A | -0.6572 | |
| 340 | S | A | -1.1748 | |
| 341 | A | A | -1.4534 | |
| 342 | E | A | -2.3002 | |
| 343 | L | A | 0.0000 | |
| 344 | L | A | -0.7709 | |
| 345 | G | A | -1.0480 | |
| 346 | E | A | -0.7002 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | -1.2777 | |
| 352 | N | A | 0.0000 | |
| 353 | K | A | -2.0536 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.9471 | |
| 356 | D | A | -0.4585 | |
| 357 | V | A | 0.5290 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.4178 | |
| 361 | E | A | -1.1747 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.5838 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.5337 | |
| 367 | L | A | 0.5620 | |
| 368 | P | A | 0.6474 | |
| 369 | P | A | 0.0071 | |
| 370 | L | A | 0.7375 | |
| 371 | T | A | -0.2170 | |
| 372 | H | A | -0.2510 | |
| 373 | Q | A | -0.4489 | |
| 374 | V | A | 0.1249 | |
| 375 | M | A | 0.8100 | |
| 376 | Y | A | 1.5560 | |
| 377 | V | A | 1.0551 | |
| 378 | P | A | 0.3856 | |
| 379 | P | A | -0.3416 | |
| 380 | G | A | -0.3883 | |
| 381 | G | A | 0.2292 | |
| 382 | P | A | 0.6653 | |
| 383 | I | A | 1.2418 | |
| 384 | P | A | -0.4692 | |
| 385 | K | A | -1.7802 | |
| 386 | S | A | -1.0635 | |
| 387 | Y | A | 0.0549 | |
| 388 | E | A | -1.5942 | |
| 389 | D | A | -1.0801 | |
| 390 | F | A | 0.0094 | |
| 391 | A | A | 0.2550 | |
| 392 | W | A | 0.0000 | |
| 393 | Q | A | 0.0000 | |
| 394 | T | A | 0.0000 | |
| 395 | S | A | 0.2763 | |
| 396 | T | A | -0.4362 | |
| 397 | N | A | -1.4837 | |
| 398 | P | A | 0.0000 | |
| 399 | S | A | 0.1895 | |
| 400 | V | A | 1.4627 | |
| 401 | F | A | 2.5200 | |
| 402 | W | A | 0.9780 | |
| 403 | T | A | -0.1295 | |
| 404 | E | A | -1.2765 | |
| 405 | T | A | -0.7954 | |
| 406 | L | A | -0.2183 | |
| 407 | W | A | -0.0078 | |
| 408 | I | A | 0.0000 | |
| 409 | W | A | -0.6968 | |
| 410 | E | A | -2.4275 | |
| 411 | C | A | 0.0000 | |
| 412 | G | A | -1.9491 | |
| 413 | I | A | 0.0000 | |
| 414 | T | A | -1.6556 | |
| 415 | A | A | -1.8285 | |
| 416 | K | A | -2.0898 | |
| 417 | G | A | 0.0000 | |
| 418 | C | A | 0.0000 | |
| 419 | G | A | 0.0000 | |
| 420 | D | A | -1.6011 | |
| 421 | L | A | 0.0000 | |
| 422 | C | A | 0.0000 | |
| 423 | R | A | -2.2023 | |
| 424 | V | A | 0.0000 | |
| 425 | L | A | -0.5353 | |
| 426 | R | A | -1.5632 | |
| 427 | A | A | -0.7110 | |
| 428 | P | A | -0.0553 | |
| 429 | P | A | 0.2932 | |
| 430 | L | A | 0.7219 | |
| 431 | T | A | 0.1214 | |
| 432 | H | A | -0.1841 | |
| 433 | Q | A | -0.3097 | |
| 434 | V | A | 0.0000 | |
| 435 | M | A | 0.0000 | |
| 436 | Y | A | 0.5454 | |
| 437 | V | A | 0.5422 | |
| 438 | P | A | -0.0210 | |
| 439 | P | A | -0.5395 | |
| 440 | G | A | -0.3863 | |
| 441 | G | A | 0.0664 | |
| 442 | P | A | 0.7063 | |
| 443 | I | A | 1.4723 | |
| 444 | P | A | 0.0000 | |
| 445 | K | A | -1.5815 | |
| 446 | S | A | -1.1044 | |
| 447 | Y | A | -0.3782 | |
| 448 | E | A | -1.5537 | |
| 449 | D | A | -0.9383 | |
| 450 | F | A | 0.0120 | |
| 451 | A | A | 0.2760 | |
| 452 | W | A | 0.0000 | |
| 453 | Q | A | 0.0000 | |
| 454 | T | A | 0.0000 | |
| 455 | S | A | 0.0000 | |
| 456 | T | A | -0.5019 | |
| 457 | N | A | -1.0649 | |
| 458 | P | A | 0.0000 | |
| 459 | S | A | 0.2017 | |
| 460 | V | A | 1.3079 | |
| 461 | F | A | 1.8528 | |
| 462 | W | A | 0.9624 | |
| 463 | T | A | -0.0949 | |
| 464 | E | A | -1.0400 | |
| 465 | E | A | -0.8974 | |
| 466 | L | A | 0.0000 | |
| 467 | S | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | A | A | -0.8666 | |
| 470 | G | A | -1.5799 | |
| 471 | N | A | 0.0000 | |
| 472 | E | A | -2.5492 | |
| 473 | L | A | 0.0000 | |
| 474 | G | A | -1.4099 | |
| 475 | D | A | -1.5295 | |
| 476 | E | A | -1.8739 | |
| 477 | G | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | R | A | -1.5202 | |
| 480 | L | A | -1.4520 | |
| 481 | L | A | 0.0000 | |
| 482 | C | A | 0.0000 | |
| 483 | E | A | -1.4304 | |
| 484 | T | A | 0.0000 | |
| 485 | L | A | 0.1974 | |
| 486 | L | A | 0.4175 | |
| 487 | P | A | 0.5371 | |
| 488 | P | A | 0.6656 | |
| 489 | L | A | 1.6474 | |
| 490 | T | A | 0.6626 | |
| 491 | H | A | 0.1568 | |
| 492 | Q | A | -0.1257 | |
| 493 | V | A | 0.0000 | |
| 494 | M | A | 0.0000 | |
| 495 | Y | A | 0.6249 | |
| 496 | V | A | 0.6422 | |
| 497 | P | A | -0.0717 | |
| 498 | P | A | -0.4854 | |
| 499 | G | A | -0.3970 | |
| 500 | G | A | 0.1753 | |
| 501 | P | A | 0.7259 | |
| 502 | I | A | 1.5350 | |
| 503 | P | A | 0.0000 | |
| 504 | K | A | -1.5274 | |
| 505 | S | A | -1.0402 | |
| 506 | Y | A | -0.3376 | |
| 507 | E | A | -1.3695 | |
| 508 | D | A | -0.7651 | |
| 509 | F | A | -0.1515 | |
| 510 | A | A | -0.0839 | |
| 511 | W | A | 0.0000 | |
| 512 | Q | A | 0.0000 | |
| 513 | T | A | 0.0000 | |
| 514 | S | A | 0.0000 | |
| 515 | T | A | -0.2744 | |
| 516 | N | A | -0.8386 | |
| 517 | P | A | 0.0000 | |
| 518 | S | A | 0.0974 | |
| 519 | V | A | 0.8442 | |
| 520 | F | A | 1.3906 | |
| 521 | W | A | 0.5470 | |
| 522 | T | A | -0.2903 | |
| 523 | E | A | -1.0012 | |
| 524 | S | A | 0.0000 | |
| 525 | L | A | -0.2118 | |
| 526 | W | A | 0.1745 | |
| 527 | V | A | 0.0000 | |
| 528 | K | A | -0.7842 | |
| 529 | S | A | -1.6963 | |
| 530 | C | A | 0.0000 | |
| 531 | S | A | -1.5599 | |
| 532 | F | A | 0.0000 | |
| 533 | T | A | -1.1553 | |
| 534 | A | A | -1.2385 | |
| 535 | A | A | -0.7914 | |
| 536 | C | A | 0.0000 | |
| 537 | C | A | 0.0000 | |
| 538 | S | A | -0.7627 | |
| 539 | H | A | -0.9649 | |
| 540 | F | A | 0.0000 | |
| 541 | S | A | -0.6570 | |
| 542 | S | A | -0.4695 | |
| 543 | V | A | 0.1268 | |
| 544 | L | A | 0.1489 | |
| 545 | A | A | -0.2185 | |
| 546 | Q | A | 0.0947 | |
| 547 | P | A | 0.2944 | |
| 548 | P | A | 0.8893 | |
| 549 | L | A | 1.6316 | |
| 550 | T | A | 0.6947 | |
| 551 | H | A | 0.3732 | |
| 552 | Q | A | -0.0742 | |
| 553 | V | A | 0.0000 | |
| 554 | M | A | 0.0000 | |
| 555 | Y | A | 0.5536 | |
| 556 | V | A | 0.0000 | |
| 557 | P | A | -0.2808 | |
| 558 | P | A | -0.6138 | |
| 559 | G | A | -0.5820 | |
| 560 | G | A | -0.2004 | |
| 561 | P | A | 0.2351 | |
| 562 | I | A | 0.4159 | |
| 563 | P | A | 0.0000 | |
| 564 | K | A | -1.6519 | |
| 565 | S | A | -1.1647 | |
| 566 | Y | A | -0.3159 | |
| 567 | E | A | -1.5705 | |
| 568 | D | A | -1.2200 | |
| 569 | F | A | -0.1912 | |
| 570 | A | A | -0.0635 | |
| 571 | W | A | 0.0000 | |
| 572 | Q | A | 0.0000 | |
| 573 | T | A | 0.0000 | |
| 574 | S | A | 0.0000 | |
| 575 | T | A | -0.3312 | |
| 576 | N | A | -0.8202 | |
| 577 | P | A | 0.0000 | |
| 578 | S | A | 0.0548 | |
| 579 | V | A | 0.7117 | |
| 580 | F | A | 1.1237 | |
| 581 | W | A | 0.4328 | |
| 582 | T | A | -0.2828 | |
| 583 | E | A | -0.9184 | |
| 584 | E | A | -0.6821 | |
| 585 | L | A | 0.0000 | |
| 586 | Q | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | S | A | 0.0000 | |
| 589 | N | A | -2.5318 | |
| 590 | N | A | 0.0000 | |
| 591 | R | A | -3.1355 | |
| 592 | L | A | 0.0000 | |
| 593 | E | A | -2.6624 | |
| 594 | D | A | -1.8163 | |
| 595 | A | A | -1.1279 | |
| 596 | G | A | 0.0000 | |
| 597 | V | A | 0.0000 | |
| 598 | R | A | -1.7271 | |
| 599 | E | A | -1.6382 | |
| 600 | L | A | 0.0000 | |
| 601 | C | A | 0.0000 | |
| 602 | Q | A | -1.6419 | |
| 603 | G | A | 0.0000 | |
| 604 | L | A | -0.3613 | |
| 605 | G | A | -0.4047 | |
| 606 | P | A | 0.2288 | |
| 607 | P | A | 0.4088 | |
| 608 | L | A | 1.2243 | |
| 609 | T | A | 0.6093 | |
| 610 | H | A | 0.3224 | |
| 611 | Q | A | -0.1871 | |
| 612 | V | A | 0.0000 | |
| 613 | M | A | 0.0000 | |
| 614 | Y | A | 0.5451 | |
| 615 | V | A | 0.0000 | |
| 616 | P | A | -0.1577 | |
| 617 | P | A | -0.5872 | |
| 618 | G | A | -0.4436 | |
| 619 | G | A | 0.1851 | |
| 620 | P | A | 0.6897 | |
| 621 | I | A | 1.4922 | |
| 622 | P | A | 0.0000 | |
| 623 | K | A | -1.4932 | |
| 624 | S | A | -1.2892 | |
| 625 | Y | A | -0.7024 | |
| 626 | E | A | -1.6398 | |
| 627 | D | A | -0.7945 | |
| 628 | F | A | -0.1236 | |
| 629 | A | A | -0.0063 | |
| 630 | W | A | 0.0000 | |
| 631 | Q | A | 0.0000 | |
| 632 | T | A | 0.0000 | |
| 633 | S | A | 0.0000 | |
| 634 | T | A | -0.3397 | |
| 635 | N | A | -0.8795 | |
| 636 | P | A | 0.0000 | |
| 637 | S | A | 0.0787 | |
| 638 | V | A | 0.7437 | |
| 639 | F | A | 1.1539 | |
| 640 | W | A | 0.0000 | |
| 641 | T | A | -0.1988 | |
| 642 | E | A | -0.7564 | |
| 643 | V | A | -0.3079 | |
| 644 | L | A | 0.0698 | |
| 645 | W | A | 0.0720 | |
| 646 | L | A | 0.0000 | |
| 647 | A | A | -1.2488 | |
| 648 | D | A | -2.8155 | |
| 649 | C | A | 0.0000 | |
| 650 | D | A | -2.6213 | |
| 651 | V | A | 0.0000 | |
| 652 | S | A | -0.6984 | |
| 653 | D | A | -0.7904 | |
| 654 | S | A | -0.8679 | |
| 655 | S | A | 0.0000 | |
| 656 | C | A | 0.0000 | |
| 657 | S | A | -0.5340 | |
| 658 | S | A | -0.6655 | |
| 659 | L | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | A | A | 0.1466 | |
| 662 | T | A | 0.0623 | |
| 663 | L | A | 0.4235 | |
| 664 | L | A | 0.5303 | |
| 665 | A | A | 0.4936 | |
| 666 | P | A | 0.3903 | |
| 667 | P | A | 0.4212 | |
| 668 | L | A | 0.6859 | |
| 669 | T | A | 0.0963 | |
| 670 | H | A | -0.0083 | |
| 671 | Q | A | -0.3775 | |
| 672 | V | A | 0.0000 | |
| 673 | M | A | 0.0000 | |
| 674 | Y | A | 0.6194 | |
| 675 | V | A | 0.3552 | |
| 676 | P | A | -0.1782 | |
| 677 | P | A | -0.5844 | |
| 678 | G | A | -0.5292 | |
| 679 | G | A | -0.1773 | |
| 680 | P | A | -0.0301 | |
| 681 | I | A | 0.4964 | |
| 682 | P | A | 0.0000 | |
| 683 | K | A | -1.5769 | |
| 684 | S | A | -0.8483 | |
| 685 | Y | A | -0.2314 | |
| 686 | E | A | -1.4379 | |
| 687 | D | A | -1.1333 | |
| 688 | F | A | -0.1268 | |
| 689 | A | A | -0.0924 | |
| 690 | W | A | 0.0000 | |
| 691 | Q | A | 0.0000 | |
| 692 | T | A | 0.5191 | |
| 693 | S | A | 0.0756 | |
| 694 | T | A | -0.4066 | |
| 695 | N | A | -0.9799 | |
| 696 | P | A | 0.0000 | |
| 697 | S | A | 0.1347 | |
| 698 | V | A | 0.9338 | |
| 699 | F | A | 1.4706 | |
| 700 | W | A | 0.6676 | |
| 701 | T | A | -0.0563 | |
| 702 | E | A | -0.6493 | |
| 703 | E | A | -0.7437 | |
| 704 | L | A | 0.0000 | |
| 705 | D | A | 0.0000 | |
| 706 | L | A | 0.0000 | |
| 707 | S | A | 0.0000 | |
| 708 | N | A | -1.6283 | |
| 709 | N | A | 0.0000 | |
| 710 | C | A | -0.1573 | |
| 711 | L | A | 0.0000 | |
| 712 | G | A | -0.0081 | |
| 713 | D | A | -1.0147 | |
| 714 | A | A | -0.4862 | |
| 715 | G | A | 0.0000 | |
| 716 | I | A | 0.0000 | |
| 717 | L | A | -0.8825 | |
| 718 | Q | A | -1.1501 | |
| 719 | L | A | 0.0000 | |
| 720 | V | A | 0.0000 | |
| 721 | E | A | -2.0904 | |
| 722 | S | A | 0.0000 | |
| 723 | V | A | -1.1709 | |
| 724 | R | A | -1.7934 | |
| 725 | P | A | -0.3548 | |
| 726 | P | A | 0.3613 | |
| 727 | L | A | 1.2734 | |
| 728 | T | A | 0.2947 | |
| 729 | H | A | -0.0795 | |
| 730 | Q | A | -0.3495 | |
| 731 | V | A | 0.0000 | |
| 732 | M | A | 0.0000 | |
| 733 | Y | A | 0.7350 | |
| 734 | V | A | 0.4767 | |
| 735 | P | A | -0.1472 | |
| 736 | P | A | -0.4617 | |
| 737 | G | A | -0.5105 | |
| 738 | G | A | -0.1474 | |
| 739 | P | A | -0.0043 | |
| 740 | I | A | 0.7117 | |
| 741 | P | A | -0.4201 | |
| 742 | K | A | -1.6481 | |
| 743 | S | A | -1.2340 | |
| 744 | Y | A | -0.3472 | |
| 745 | E | A | -1.5669 | |
| 746 | D | A | -1.0479 | |
| 747 | F | A | -0.0888 | |
| 748 | A | A | 0.0366 | |
| 749 | W | A | 0.0000 | |
| 750 | Q | A | 0.4957 | |
| 751 | T | A | 0.4175 | |
| 752 | S | A | 0.0000 | |
| 753 | T | A | -0.5159 | |
| 754 | N | A | -1.2456 | |
| 755 | P | A | 0.0000 | |
| 756 | S | A | 0.3288 | |
| 757 | V | A | 1.3839 | |
| 758 | F | A | 1.9844 | |
| 759 | W | A | 1.0899 | |
| 760 | T | A | -0.2188 | |
| 761 | E | A | -1.3093 | |
| 762 | Q | A | -1.2468 | |
| 763 | L | A | 0.0000 | |
| 764 | V | A | 0.0000 | |
| 765 | L | A | 0.0000 | |
| 766 | Y | A | 0.2521 | |
| 767 | D | A | -1.2885 | |
| 768 | I | A | 0.0000 | |
| 769 | Y | A | 0.7194 | |
| 770 | W | A | -0.4453 | |
| 771 | S | A | -1.9184 | |
| 772 | E | A | -3.5476 | |
| 773 | E | A | -3.9723 | |
| 774 | M | A | 0.0000 | |
| 775 | E | A | -3.3489 | |
| 776 | D | A | -4.0864 | |
| 777 | R | A | -3.6743 | |
| 778 | L | A | 0.0000 | |
| 779 | Q | A | -3.0353 | |
| 780 | A | A | -2.7506 | |
| 781 | L | A | -2.6816 | |
| 782 | E | A | -3.6891 | |
| 783 | K | A | -3.5865 | |
| 784 | D | A | -2.8787 | |
| 785 | P | A | -1.8061 | |
| 786 | P | A | -0.7353 | |
| 787 | L | A | 1.0332 | |
| 788 | T | A | 0.5916 | |
| 789 | H | A | 0.2272 | |
| 790 | Q | A | -0.2223 | |
| 791 | V | A | 0.0000 | |
| 792 | M | A | -0.2085 | |
| 793 | Y | A | 0.3821 | |
| 794 | V | A | 0.4050 | |
| 795 | P | A | -0.2354 | |
| 796 | P | A | -0.5059 | |
| 797 | G | A | -0.4109 | |
| 798 | G | A | 0.0033 | |
| 799 | P | A | 0.4706 | |
| 800 | I | A | 1.5664 | |
| 801 | P | A | 0.0000 | |
| 802 | K | A | -1.1592 | |
| 803 | S | A | -0.7410 | |
| 804 | Y | A | -0.0168 | |
| 805 | E | A | -1.2486 | |
| 806 | D | A | -0.2399 | |
| 807 | F | A | 0.9532 | |
| 808 | A | A | 0.4441 | |
| 809 | W | A | 0.0000 | |
| 810 | Q | A | 0.3235 | |
| 811 | T | A | -0.0763 | |
| 812 | S | A | -0.5111 | |
| 813 | T | A | -0.8082 | |
| 814 | N | A | -1.5695 | |
| 815 | P | A | -0.8739 | |
| 816 | S | A | 0.2617 | |
| 817 | V | A | 1.6104 | |
| 818 | F | A | 2.6451 | |
| 819 | W | A | 1.2749 | |
| 820 | T | A | -0.4254 | |
| 821 | E | A | -2.2499 | |
| 822 | R | A | -2.5103 | |
| 823 | V | A | -0.8169 | |
| 824 | I | A | 0.0359 | |
| 825 | S | A | -0.0115 |
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, -0.4918 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 | -0.4918 | View | CSV | PDB |
| model_1 | -0.5218 | View | CSV | PDB |
| model_5 | -0.5491 | View | CSV | PDB |
| model_4 | -0.5507 | View | CSV | PDB |
| model_0 | -0.5521 | View | CSV | PDB |
| model_9 | -0.5537 | View | CSV | PDB |
| model_7 | -0.5594 | View | CSV | PDB |
| model_2 | -0.5675 | View | CSV | PDB |
| CABS_average | -0.5709 | View | CSV | PDB |
| model_11 | -0.5723 | View | CSV | PDB |
| model_6 | -0.5756 | View | CSV | PDB |
| model_3 | -0.5993 | View | CSV | PDB |
| model_8 | -0.5995 | View | CSV | PDB |
| model_10 | -0.6494 | 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