Project name: C40_A2_EF_INTERFACE_SAT
Status: done
Started: 2026-07-21 13:47:12
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQDATQKPNTAKHPALEATQPGVRLDDCGLTEARCKDISSALRVDATQKPNTAKHPALEATQPGELNLRSNELGDVGVHCVLQGLQDATQKPNTAKHPALEATQPGKLSLQNCCLTGAGCGVLSSTLRTDATQKPNTAKHPALEATQPGELHLSDNLLGDAGLQLLCEGLLDATQKPNTAKHPALEATQPGKLQLEYCSLSAASCEPLASVLRADATQKPNTAKHPALEATQPGELTVSNNDINEAGVRVLCQGLKDDATQKPNTAKHPALEATQPGALKLESCGVTSDNCRDLCGIVASDATQKPNTAKHPALEATQPGELALGSNKLGDVGMAELCPGLLDATQKPNTAKHPALEATQPGTLWIWECGITAKGCGDLCRVLRADATQKPNTAKHPALEATQPGELSLAGNELGDEGARLLCETLLDATQKPNTAKHPALEATQPGSLWVKSCSFTAACCSHFSSVLAQDATQKPNTAKHPALEATQPGELQISNNRLEDAGVRELCQGLIDATQKPNTAKHPALEATQPGVLWLADCDVSDSSCSSLAATLLIDATQKPNTAKHPALEATQPGELDLSNNCLGDAGILQLVESVRDATQKPNTAKHPALEATQPGQLVLYDIYWSEEMEDRLQALEKDDATQKPNTAKHPALEATQPGRVIS
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 (00:17:37)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:33:30)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:33:34)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:33:39)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:33:43)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:33:48)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:33:52)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:33:57)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:34:01)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:34:06)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:34:10)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:34:15)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:34:19)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:34:24)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:34:36)
[INFO] Main: Simulation completed successfully. (02:34:41)
|
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
- -3.9813
- Maximal score value
- 1.6732
- Average score
- -0.7948
- Total score value
- -547.6462
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 | 0.8809 | |
| 2 | L | A | 1.6732 | |
| 3 | D | A | 0.7965 | |
| 4 | I | A | 1.5111 | |
| 5 | Q | A | -0.0174 | |
| 6 | S | A | -0.3726 | |
| 7 | L | A | -0.7439 | |
| 8 | D | A | -2.2059 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.9287 | |
| 11 | C | A | -2.7008 | |
| 12 | E | A | -3.4774 | |
| 13 | E | A | -3.2354 | |
| 14 | L | A | -2.0270 | |
| 15 | S | A | -1.9529 | |
| 16 | D | A | -2.2264 | |
| 17 | A | A | -1.3434 | |
| 18 | R | A | -1.8821 | |
| 19 | W | A | -1.1351 | |
| 20 | A | A | -0.9273 | |
| 21 | E | A | -1.4559 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -1.2431 | |
| 25 | L | A | -0.4706 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -2.1686 | |
| 28 | D | A | -2.2423 | |
| 29 | A | A | 0.0000 | |
| 30 | T | A | 0.0000 | |
| 31 | Q | A | -1.9120 | |
| 32 | K | A | 0.0000 | |
| 33 | P | A | -1.4841 | |
| 34 | N | A | -1.4239 | |
| 35 | T | A | -0.8393 | |
| 36 | A | A | -0.6394 | |
| 37 | K | A | -0.4756 | |
| 38 | H | A | 0.0000 | |
| 39 | P | A | -0.4901 | |
| 40 | A | A | 0.2168 | |
| 41 | L | A | 1.1156 | |
| 42 | E | A | 0.4335 | |
| 43 | A | A | 0.0000 | |
| 44 | T | A | 0.0000 | |
| 45 | Q | A | 0.1765 | |
| 46 | P | A | 0.0000 | |
| 47 | G | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -1.7622 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | -2.8442 | |
| 52 | D | A | -3.0779 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | -2.2139 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.6998 | |
| 57 | E | A | -2.6328 | |
| 58 | A | A | -1.4122 | |
| 59 | R | A | 0.0000 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -2.5139 | |
| 62 | D | A | -2.2484 | |
| 63 | I | A | 0.0000 | |
| 64 | S | A | -1.7630 | |
| 65 | S | A | -1.7574 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -2.4002 | |
| 69 | V | A | -1.0366 | |
| 70 | D | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | T | A | -1.4092 | |
| 73 | Q | A | -1.2724 | |
| 74 | K | A | 0.0000 | |
| 75 | P | A | -0.8798 | |
| 76 | N | A | 0.0000 | |
| 77 | T | A | 0.0000 | |
| 78 | A | A | -1.5797 | |
| 79 | K | A | -2.2840 | |
| 80 | H | A | -1.8933 | |
| 81 | P | A | -1.0467 | |
| 82 | A | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | Q | A | 0.0000 | |
| 88 | P | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | E | A | -0.3702 | |
| 91 | L | A | -0.4836 | |
| 92 | N | A | -0.9839 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -2.2917 | |
| 95 | S | A | -2.2753 | |
| 96 | N | A | 0.0000 | |
| 97 | E | A | -2.5496 | |
| 98 | L | A | -1.6113 | |
| 99 | G | A | -1.2808 | |
| 100 | D | A | -1.0576 | |
| 101 | V | A | -0.3092 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.8208 | |
| 105 | C | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -1.6100 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -2.0431 | |
| 112 | D | A | -2.2931 | |
| 113 | A | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | Q | A | -2.3817 | |
| 116 | K | A | -1.7234 | |
| 117 | P | A | -1.3440 | |
| 118 | N | A | -1.8499 | |
| 119 | T | A | -1.5034 | |
| 120 | A | A | -1.6169 | |
| 121 | K | A | -2.4508 | |
| 122 | H | A | 0.0000 | |
| 123 | P | A | -1.2166 | |
| 124 | A | A | -0.4486 | |
| 125 | L | A | 0.0000 | |
| 126 | E | A | -0.5471 | |
| 127 | A | A | 0.0000 | |
| 128 | T | A | -0.4477 | |
| 129 | Q | A | 0.0000 | |
| 130 | P | A | -0.3452 | |
| 131 | G | A | -0.5462 | |
| 132 | K | A | -0.8128 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -1.5263 | |
| 137 | N | A | -1.9929 | |
| 138 | C | A | 0.0000 | |
| 139 | C | A | -0.9081 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | -0.1938 | |
| 142 | G | A | -0.2878 | |
| 143 | A | A | -0.1053 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.3974 | |
| 147 | V | A | -0.2719 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | -0.6758 | |
| 150 | S | A | -0.7474 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | -0.7608 | |
| 153 | R | A | -1.6049 | |
| 154 | T | A | -1.1368 | |
| 155 | D | A | -1.2147 | |
| 156 | A | A | -1.1305 | |
| 157 | T | A | -1.0393 | |
| 158 | Q | A | -1.4481 | |
| 159 | K | A | -1.0966 | |
| 160 | P | A | 0.0000 | |
| 161 | N | A | -1.0614 | |
| 162 | T | A | -0.9179 | |
| 163 | A | A | -1.3853 | |
| 164 | K | A | -2.2858 | |
| 165 | H | A | -1.5311 | |
| 166 | P | A | -1.0400 | |
| 167 | A | A | -0.6340 | |
| 168 | L | A | 0.0000 | |
| 169 | E | A | -1.2708 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | -0.6334 | |
| 172 | Q | A | -0.5365 | |
| 173 | P | A | -0.4866 | |
| 174 | G | A | -0.7806 | |
| 175 | E | A | -0.9990 | |
| 176 | L | A | -0.4276 | |
| 177 | H | A | -0.4738 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | -1.2346 | |
| 180 | D | A | -1.8251 | |
| 181 | N | A | 0.0000 | |
| 182 | L | A | -0.1339 | |
| 183 | L | A | 0.0000 | |
| 184 | G | A | -0.2857 | |
| 185 | D | A | -0.7647 | |
| 186 | A | A | -0.4744 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -1.4682 | |
| 190 | L | A | -0.7982 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -2.1086 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | -0.8149 | |
| 196 | L | A | -1.3565 | |
| 197 | D | A | 0.0000 | |
| 198 | A | A | -1.3874 | |
| 199 | T | A | 0.0000 | |
| 200 | Q | A | -2.3280 | |
| 201 | K | A | -1.9144 | |
| 202 | P | A | -1.4520 | |
| 203 | N | A | -1.0270 | |
| 204 | T | A | -1.1521 | |
| 205 | A | A | -1.4851 | |
| 206 | K | A | -2.3778 | |
| 207 | H | A | -1.7404 | |
| 208 | P | A | -0.9460 | |
| 209 | A | A | -0.7632 | |
| 210 | L | A | 0.0000 | |
| 211 | E | A | -1.3258 | |
| 212 | A | A | 0.0000 | |
| 213 | T | A | -0.5376 | |
| 214 | Q | A | 0.0000 | |
| 215 | P | A | 0.0000 | |
| 216 | G | A | -0.8050 | |
| 217 | K | A | -1.1397 | |
| 218 | L | A | -0.5474 | |
| 219 | Q | A | -0.6068 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -0.6633 | |
| 222 | Y | A | -0.3773 | |
| 223 | C | A | -0.1071 | |
| 224 | S | A | -0.3219 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.0133 | |
| 227 | A | A | -0.8974 | |
| 228 | A | A | -0.8542 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -2.1029 | |
| 232 | P | A | -1.5518 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | S | A | -1.3845 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | -1.2627 | |
| 238 | R | A | -2.8140 | |
| 239 | A | A | 0.0000 | |
| 240 | D | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | T | A | -1.6621 | |
| 243 | Q | A | 0.0000 | |
| 244 | K | A | -2.0930 | |
| 245 | P | A | -1.3350 | |
| 246 | N | A | 0.0000 | |
| 247 | T | A | -0.9891 | |
| 248 | A | A | -0.9056 | |
| 249 | K | A | 0.0000 | |
| 250 | H | A | -1.5952 | |
| 251 | P | A | -1.3171 | |
| 252 | A | A | -1.1864 | |
| 253 | L | A | 0.0000 | |
| 254 | E | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | Q | A | 0.0000 | |
| 258 | P | A | -0.2816 | |
| 259 | G | A | -0.6499 | |
| 260 | E | A | -0.8230 | |
| 261 | L | A | -0.3042 | |
| 262 | T | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | N | A | 0.0000 | |
| 266 | N | A | -1.9341 | |
| 267 | D | A | -1.7217 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -2.3437 | |
| 270 | E | A | -1.4921 | |
| 271 | A | A | -1.0027 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -1.7503 | |
| 275 | V | A | -1.0350 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -2.5296 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -3.0949 | |
| 282 | D | A | -2.9458 | |
| 283 | D | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | T | A | -1.4483 | |
| 286 | Q | A | -2.2133 | |
| 287 | K | A | 0.0000 | |
| 288 | P | A | 0.0000 | |
| 289 | N | A | 0.0000 | |
| 290 | T | A | -0.8253 | |
| 291 | A | A | 0.0000 | |
| 292 | K | A | -1.7011 | |
| 293 | H | A | -2.0791 | |
| 294 | P | A | -1.0262 | |
| 295 | A | A | -1.0152 | |
| 296 | L | A | -1.5627 | |
| 297 | E | A | -2.1417 | |
| 298 | A | A | 0.0000 | |
| 299 | T | A | -0.6984 | |
| 300 | Q | A | 0.0000 | |
| 301 | P | A | -0.2521 | |
| 302 | G | A | -0.5694 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -0.8305 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -2.2397 | |
| 308 | S | A | -2.2368 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -1.4969 | |
| 313 | S | A | -1.4834 | |
| 314 | D | A | -2.5984 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -2.6328 | |
| 318 | D | A | -2.4007 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | -1.0669 | |
| 321 | G | A | -1.4990 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | A | A | -0.7679 | |
| 325 | S | A | -0.8730 | |
| 326 | D | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | T | A | -0.6358 | |
| 329 | Q | A | -0.7456 | |
| 330 | K | A | -0.9499 | |
| 331 | P | A | -0.9548 | |
| 332 | N | A | 0.0000 | |
| 333 | T | A | -1.0294 | |
| 334 | A | A | -1.6697 | |
| 335 | K | A | -2.3427 | |
| 336 | H | A | 0.0000 | |
| 337 | P | A | -1.4287 | |
| 338 | A | A | -1.2076 | |
| 339 | L | A | 0.0000 | |
| 340 | E | A | -2.6207 | |
| 341 | A | A | -1.7103 | |
| 342 | T | A | -0.9867 | |
| 343 | Q | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | G | A | -0.5490 | |
| 346 | E | A | -0.8742 | |
| 347 | L | A | -0.3277 | |
| 348 | A | A | -0.2879 | |
| 349 | L | A | -0.6187 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | -1.7271 | |
| 352 | N | A | -2.6643 | |
| 353 | K | A | -2.7849 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.9305 | |
| 356 | D | A | -0.6906 | |
| 357 | V | A | 0.8289 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.3265 | |
| 361 | E | A | -0.9878 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | -0.5198 | |
| 364 | P | A | -0.6767 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | -0.1872 | |
| 367 | L | A | -0.9996 | |
| 368 | D | A | -1.5375 | |
| 369 | A | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | Q | A | -1.9222 | |
| 372 | K | A | -1.7613 | |
| 373 | P | A | -1.3600 | |
| 374 | N | A | 0.0000 | |
| 375 | T | A | 0.0000 | |
| 376 | A | A | -1.3804 | |
| 377 | K | A | -2.0194 | |
| 378 | H | A | -1.5693 | |
| 379 | P | A | -1.2111 | |
| 380 | A | A | -0.9626 | |
| 381 | L | A | 0.0000 | |
| 382 | E | A | -1.9950 | |
| 383 | A | A | 0.0000 | |
| 384 | T | A | -0.6047 | |
| 385 | Q | A | 0.0000 | |
| 386 | P | A | -0.2332 | |
| 387 | G | A | -0.5673 | |
| 388 | T | A | -0.4745 | |
| 389 | L | A | 0.1486 | |
| 390 | W | A | 0.2440 | |
| 391 | I | A | 0.0000 | |
| 392 | W | A | -0.3759 | |
| 393 | E | A | -1.7198 | |
| 394 | C | A | 0.0000 | |
| 395 | G | A | -1.9816 | |
| 396 | I | A | 0.0000 | |
| 397 | T | A | -1.5651 | |
| 398 | A | A | -1.4411 | |
| 399 | K | A | -1.7478 | |
| 400 | G | A | 0.0000 | |
| 401 | C | A | 0.0000 | |
| 402 | G | A | -1.5828 | |
| 403 | D | A | -1.4361 | |
| 404 | L | A | 0.0000 | |
| 405 | C | A | 0.0000 | |
| 406 | R | A | -2.5330 | |
| 407 | V | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | R | A | -2.9856 | |
| 410 | A | A | -1.7911 | |
| 411 | D | A | -1.5002 | |
| 412 | A | A | -1.5142 | |
| 413 | T | A | -1.3841 | |
| 414 | Q | A | -1.0498 | |
| 415 | K | A | 0.0000 | |
| 416 | P | A | -0.6492 | |
| 417 | N | A | 0.0000 | |
| 418 | T | A | 0.0000 | |
| 419 | A | A | 0.0000 | |
| 420 | K | A | -2.1962 | |
| 421 | H | A | -1.9339 | |
| 422 | P | A | -1.3882 | |
| 423 | A | A | -1.1232 | |
| 424 | L | A | 0.0000 | |
| 425 | E | A | -0.9963 | |
| 426 | A | A | 0.0000 | |
| 427 | T | A | -0.4478 | |
| 428 | Q | A | 0.0000 | |
| 429 | P | A | -0.3541 | |
| 430 | G | A | -0.6723 | |
| 431 | E | A | -0.6812 | |
| 432 | L | A | -0.0162 | |
| 433 | S | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | G | A | 0.0000 | |
| 437 | N | A | -2.5717 | |
| 438 | E | A | -2.8052 | |
| 439 | L | A | 0.0000 | |
| 440 | G | A | -1.6163 | |
| 441 | D | A | -1.5471 | |
| 442 | E | A | -1.8265 | |
| 443 | G | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | R | A | -1.4773 | |
| 446 | L | A | -1.2825 | |
| 447 | L | A | -0.8055 | |
| 448 | C | A | 0.0000 | |
| 449 | E | A | -2.0027 | |
| 450 | T | A | -1.7931 | |
| 451 | L | A | -0.8997 | |
| 452 | L | A | -1.1300 | |
| 453 | D | A | -1.9106 | |
| 454 | A | A | -1.4486 | |
| 455 | T | A | 0.0000 | |
| 456 | Q | A | -2.0859 | |
| 457 | K | A | -1.7350 | |
| 458 | P | A | -1.0483 | |
| 459 | N | A | 0.0000 | |
| 460 | T | A | -1.0967 | |
| 461 | A | A | -1.5885 | |
| 462 | K | A | -2.5173 | |
| 463 | H | A | -1.9615 | |
| 464 | P | A | -1.2540 | |
| 465 | A | A | -1.2924 | |
| 466 | L | A | 0.0000 | |
| 467 | E | A | -1.2544 | |
| 468 | A | A | 0.0000 | |
| 469 | T | A | -0.5972 | |
| 470 | Q | A | 0.0000 | |
| 471 | P | A | -0.3961 | |
| 472 | G | A | -0.6286 | |
| 473 | S | A | -0.5944 | |
| 474 | L | A | -0.1989 | |
| 475 | W | A | 0.0098 | |
| 476 | V | A | 0.0000 | |
| 477 | K | A | -0.6662 | |
| 478 | S | A | -1.1927 | |
| 479 | C | A | 0.0000 | |
| 480 | S | A | -1.6130 | |
| 481 | F | A | 0.0000 | |
| 482 | T | A | -1.0482 | |
| 483 | A | A | -0.8446 | |
| 484 | A | A | -0.6246 | |
| 485 | C | A | 0.0000 | |
| 486 | C | A | 0.0000 | |
| 487 | S | A | -0.6532 | |
| 488 | H | A | -0.7695 | |
| 489 | F | A | -0.4328 | |
| 490 | S | A | -0.7614 | |
| 491 | S | A | -0.8721 | |
| 492 | V | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | A | A | -1.1025 | |
| 495 | Q | A | -1.0413 | |
| 496 | D | A | -1.0131 | |
| 497 | A | A | 0.0000 | |
| 498 | T | A | 0.0000 | |
| 499 | Q | A | 0.0000 | |
| 500 | K | A | -0.7162 | |
| 501 | P | A | 0.0000 | |
| 502 | N | A | -1.2650 | |
| 503 | T | A | -1.4030 | |
| 504 | A | A | -1.0892 | |
| 505 | K | A | 0.0000 | |
| 506 | H | A | -1.7330 | |
| 507 | P | A | -1.1282 | |
| 508 | A | A | -0.9772 | |
| 509 | L | A | 0.0000 | |
| 510 | E | A | -2.0005 | |
| 511 | A | A | 0.0000 | |
| 512 | T | A | -0.7253 | |
| 513 | Q | A | 0.0000 | |
| 514 | P | A | 0.0000 | |
| 515 | G | A | -0.7271 | |
| 516 | E | A | -0.9223 | |
| 517 | L | A | 0.0000 | |
| 518 | Q | A | -0.2441 | |
| 519 | I | A | 0.0000 | |
| 520 | S | A | -1.0736 | |
| 521 | N | A | -2.0468 | |
| 522 | N | A | -2.5478 | |
| 523 | R | A | 0.0000 | |
| 524 | L | A | 0.0000 | |
| 525 | E | A | -2.8074 | |
| 526 | D | A | -2.5630 | |
| 527 | A | A | -1.4819 | |
| 528 | G | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | R | A | -2.2635 | |
| 531 | E | A | -1.5682 | |
| 532 | L | A | 0.0000 | |
| 533 | C | A | 0.0000 | |
| 534 | Q | A | -1.4440 | |
| 535 | G | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | I | A | -0.4985 | |
| 538 | D | A | -1.8114 | |
| 539 | A | A | 0.0000 | |
| 540 | T | A | 0.0000 | |
| 541 | Q | A | -2.1265 | |
| 542 | K | A | -2.1501 | |
| 543 | P | A | -1.3885 | |
| 544 | N | A | 0.0000 | |
| 545 | T | A | -1.1628 | |
| 546 | A | A | 0.0000 | |
| 547 | K | A | -2.6851 | |
| 548 | H | A | -1.9439 | |
| 549 | P | A | -1.2119 | |
| 550 | A | A | -1.0226 | |
| 551 | L | A | 0.0000 | |
| 552 | E | A | -1.4824 | |
| 553 | A | A | 0.0000 | |
| 554 | T | A | -0.6139 | |
| 555 | Q | A | 0.0000 | |
| 556 | P | A | 0.0000 | |
| 557 | G | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | L | A | 0.0000 | |
| 560 | W | A | -0.1478 | |
| 561 | L | A | 0.0000 | |
| 562 | A | A | 0.0000 | |
| 563 | D | A | -1.8997 | |
| 564 | C | A | 0.0000 | |
| 565 | D | A | -2.0507 | |
| 566 | V | A | 0.0000 | |
| 567 | S | A | -1.4812 | |
| 568 | D | A | -2.1394 | |
| 569 | S | A | -1.5024 | |
| 570 | S | A | 0.0000 | |
| 571 | C | A | 0.0000 | |
| 572 | S | A | -0.8144 | |
| 573 | S | A | 0.0000 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | 0.0000 | |
| 576 | A | A | 0.6445 | |
| 577 | T | A | 0.0000 | |
| 578 | L | A | 0.0000 | |
| 579 | L | A | 1.4246 | |
| 580 | I | A | 1.0068 | |
| 581 | D | A | 0.0000 | |
| 582 | A | A | 0.0000 | |
| 583 | T | A | -0.1398 | |
| 584 | Q | A | -0.5096 | |
| 585 | K | A | -1.3692 | |
| 586 | P | A | -1.0089 | |
| 587 | N | A | 0.0000 | |
| 588 | T | A | -1.2323 | |
| 589 | A | A | -1.1091 | |
| 590 | K | A | -2.3566 | |
| 591 | H | A | -1.7163 | |
| 592 | P | A | -0.9972 | |
| 593 | A | A | -0.6820 | |
| 594 | L | A | 0.0000 | |
| 595 | E | A | 0.0000 | |
| 596 | A | A | -0.3321 | |
| 597 | T | A | 0.0000 | |
| 598 | Q | A | -0.3884 | |
| 599 | P | A | -0.1721 | |
| 600 | G | A | 0.0000 | |
| 601 | E | A | -0.9485 | |
| 602 | L | A | 0.0000 | |
| 603 | D | A | -0.3513 | |
| 604 | L | A | 0.0000 | |
| 605 | S | A | -0.9913 | |
| 606 | N | A | -1.8408 | |
| 607 | N | A | 0.0000 | |
| 608 | C | A | -0.1488 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -0.0372 | |
| 611 | D | A | -0.7375 | |
| 612 | A | A | -0.5398 | |
| 613 | G | A | 0.0000 | |
| 614 | I | A | 0.0000 | |
| 615 | L | A | -0.6834 | |
| 616 | Q | A | -1.0011 | |
| 617 | L | A | 0.0000 | |
| 618 | V | A | 0.0000 | |
| 619 | E | A | -1.8960 | |
| 620 | S | A | 0.0000 | |
| 621 | V | A | 0.0000 | |
| 622 | R | A | -3.5899 | |
| 623 | D | A | -3.0511 | |
| 624 | A | A | 0.0000 | |
| 625 | T | A | 0.0000 | |
| 626 | Q | A | -3.5759 | |
| 627 | K | A | -3.0688 | |
| 628 | P | A | -2.3105 | |
| 629 | N | A | -0.9948 | |
| 630 | T | A | -0.5666 | |
| 631 | A | A | -0.4870 | |
| 632 | K | A | 0.0000 | |
| 633 | H | A | -0.6092 | |
| 634 | P | A | -0.7696 | |
| 635 | A | A | 0.0000 | |
| 636 | L | A | 0.0000 | |
| 637 | E | A | 0.0000 | |
| 638 | A | A | 0.0000 | |
| 639 | T | A | 0.0000 | |
| 640 | Q | A | 0.0000 | |
| 641 | P | A | 0.0000 | |
| 642 | G | A | 0.0000 | |
| 643 | Q | A | -0.7588 | |
| 644 | L | A | 0.0000 | |
| 645 | V | A | 0.1232 | |
| 646 | L | A | 0.0000 | |
| 647 | Y | A | -0.2163 | |
| 648 | D | A | -1.2908 | |
| 649 | I | A | 0.1143 | |
| 650 | Y | A | 0.9662 | |
| 651 | W | A | -0.1470 | |
| 652 | S | A | -1.4102 | |
| 653 | E | A | -3.3174 | |
| 654 | E | A | -3.8669 | |
| 655 | M | A | 0.0000 | |
| 656 | E | A | -3.2867 | |
| 657 | D | A | -3.9813 | |
| 658 | R | A | -3.3541 | |
| 659 | L | A | 0.0000 | |
| 660 | Q | A | -3.1439 | |
| 661 | A | A | -2.5341 | |
| 662 | L | A | 0.0000 | |
| 663 | E | A | -2.3912 | |
| 664 | K | A | -2.7676 | |
| 665 | D | A | -2.8355 | |
| 666 | D | A | -2.4147 | |
| 667 | A | A | -1.6952 | |
| 668 | T | A | -1.8160 | |
| 669 | Q | A | -2.8369 | |
| 670 | K | A | -2.9535 | |
| 671 | P | A | 0.0000 | |
| 672 | N | A | 0.0000 | |
| 673 | T | A | -1.0545 | |
| 674 | A | A | -1.1015 | |
| 675 | K | A | -2.1845 | |
| 676 | H | A | -1.8590 | |
| 677 | P | A | -1.1768 | |
| 678 | A | A | -0.7208 | |
| 679 | L | A | -0.4221 | |
| 680 | E | A | -0.4152 | |
| 681 | A | A | -0.3120 | |
| 682 | T | A | -0.6535 | |
| 683 | Q | A | -1.2344 | |
| 684 | P | A | 0.0000 | |
| 685 | G | A | 0.0000 | |
| 686 | R | A | -1.4318 | |
| 687 | V | A | 0.0000 | |
| 688 | I | A | -0.1200 | |
| 689 | S | A | -0.3156 |
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, -0.7948 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_7 | -0.7948 | View | CSV | PDB |
| model_1 | -0.8011 | View | CSV | PDB |
| model_6 | -0.8103 | View | CSV | PDB |
| model_8 | -0.8108 | View | CSV | PDB |
| model_11 | -0.8143 | View | CSV | PDB |
| model_3 | -0.8182 | View | CSV | PDB |
| CABS_average | -0.8234 | View | CSV | PDB |
| model_2 | -0.8245 | View | CSV | PDB |
| model_4 | -0.8292 | View | CSV | PDB |
| model_10 | -0.8321 | View | CSV | PDB |
| model_9 | -0.8397 | View | CSV | PDB |
| model_0 | -0.8508 | View | CSV | PDB |
| model_5 | -0.8553 | View | CSV | PDB |
| input | -1.0143 | 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