Project name: C41_A4_EF_INTERFACE_SAT
Status: done
Started: 2026-07-21 13:47:30
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQSERSKPNNPAQYPAFSVTNPGVRLDDCGLTEARCKDISSALRVSERSKPNNPAQYPAFSVTNPGELNLRSNELGDVGVHCVLQGLQSERSKPNNPAQYPAFSVTNPGKLSLQNCCLTGAGCGVLSSTLRLSERSKPNNPAQYPAFSVTNPGELHLSDNLLGDAGLQLLCEGLLSERSKPNNPAQYPAFSVTNPGKLQLEYCSLSAASCEPLASVLRASERSKPNNPAQYPAFSVTNPGELTVSNNDINEAGVRVLCQGLKDSERSKPNNPAQYPAFSVTNPGALKLESCGVTSDNCRDLCGIVASSERSKPNNPAQYPAFSVTNPGELALGSNKLGDVGMAELCPGLLSERSKPNNPAQYPAFSVTNPGTLWIWECGITAKGCGDLCRVLRASERSKPNNPAQYPAFSVTNPGELSLAGNELGDEGARLLCETLLSERSKPNNPAQYPAFSVTNPGSLWVKSCSFTAACCSHFSSVLAQSERSKPNNPAQYPAFSVTNPGELQISNNRLEDAGVRELCQGLGSERSKPNNPAQYPAFSVTNPGVLWLADCDVSDSSCSSLAATLLASERSKPNNPAQYPAFSVTNPGELDLSNNCLGDAGILQLVESVRSERSKPNNPAQYPAFSVTNPGQLVLYDIYWSEEMEDRLQALEKDSERSKPNNPAQYPAFSVTNPGRVIS
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 (00:13:39)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:41:57)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:42:02)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:42:07)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:42:11)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:42:16)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:42:21)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:42:26)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:42:31)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:42:35)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:42:40)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:42:45)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:42:50)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:42:54)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:43:07)
[INFO] Main: Simulation completed successfully. (02:43:11)
|
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
- -4.6616
- Maximal score value
- 2.3069
- Average score
- -0.71
- Total score value
- -500.5329
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 | -0.0262 | |
| 2 | L | A | 0.9452 | |
| 3 | D | A | -0.2158 | |
| 4 | I | A | 0.4333 | |
| 5 | Q | A | -0.8850 | |
| 6 | S | A | -1.2220 | |
| 7 | L | A | -1.1056 | |
| 8 | D | A | -2.2856 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -3.0063 | |
| 11 | C | A | 0.0000 | |
| 12 | E | A | -3.8143 | |
| 13 | E | A | -3.6034 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.2993 | |
| 16 | D | A | -2.1906 | |
| 17 | A | A | -1.5588 | |
| 18 | R | A | -2.4701 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.1931 | |
| 21 | E | A | -1.8613 | |
| 22 | L | A | -0.4722 | |
| 23 | L | A | 0.1443 | |
| 24 | P | A | 0.0570 | |
| 25 | L | A | 0.8860 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | 0.0031 | |
| 28 | S | A | -0.5118 | |
| 29 | E | A | -1.5138 | |
| 30 | R | A | 0.0000 | |
| 31 | S | A | -1.7574 | |
| 32 | K | A | -1.8224 | |
| 33 | P | A | -1.4660 | |
| 34 | N | A | 0.0000 | |
| 35 | N | A | -1.9065 | |
| 36 | P | A | -1.4929 | |
| 37 | A | A | -0.9759 | |
| 38 | Q | A | -1.4376 | |
| 39 | Y | A | 0.0000 | |
| 40 | P | A | -0.7259 | |
| 41 | A | A | -0.5730 | |
| 42 | F | A | 0.0000 | |
| 43 | S | A | -0.8748 | |
| 44 | V | A | 0.0000 | |
| 45 | T | A | -1.3096 | |
| 46 | N | A | -1.4062 | |
| 47 | P | A | 0.0000 | |
| 48 | G | A | -1.2451 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -2.1496 | |
| 51 | L | A | 0.0000 | |
| 52 | D | A | -2.8239 | |
| 53 | D | A | -3.2745 | |
| 54 | C | A | 0.0000 | |
| 55 | G | A | -2.1505 | |
| 56 | L | A | 0.0000 | |
| 57 | T | A | -1.7550 | |
| 58 | E | A | -2.2887 | |
| 59 | A | A | -1.6653 | |
| 60 | R | A | -1.9528 | |
| 61 | C | A | 0.0000 | |
| 62 | K | A | -2.3332 | |
| 63 | D | A | -1.5807 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | S | A | -1.2437 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | R | A | -2.3984 | |
| 70 | V | A | -1.0384 | |
| 71 | S | A | 0.0000 | |
| 72 | E | A | -1.9246 | |
| 73 | R | A | -2.8497 | |
| 74 | S | A | -2.0275 | |
| 75 | K | A | -2.7936 | |
| 76 | P | A | -2.1498 | |
| 77 | N | A | -2.1532 | |
| 78 | N | A | -2.3036 | |
| 79 | P | A | -1.6821 | |
| 80 | A | A | -1.2800 | |
| 81 | Q | A | -1.9806 | |
| 82 | Y | A | 0.0000 | |
| 83 | P | A | -0.8525 | |
| 84 | A | A | -0.3873 | |
| 85 | F | A | 0.0000 | |
| 86 | S | A | -0.4069 | |
| 87 | V | A | 0.0000 | |
| 88 | T | A | -0.5727 | |
| 89 | N | A | 0.0000 | |
| 90 | P | A | 0.0000 | |
| 91 | G | A | -0.9132 | |
| 92 | E | A | -1.2708 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | R | A | -1.9501 | |
| 97 | S | A | -1.7340 | |
| 98 | N | A | -2.5645 | |
| 99 | E | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -0.9605 | |
| 102 | D | A | -0.7363 | |
| 103 | V | A | 0.3729 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | H | A | -0.9464 | |
| 107 | C | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | Q | A | -2.2064 | |
| 111 | G | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | Q | A | -2.2542 | |
| 114 | S | A | -2.7947 | |
| 115 | E | A | -3.3286 | |
| 116 | R | A | -3.2592 | |
| 117 | S | A | -2.2708 | |
| 118 | K | A | -1.8066 | |
| 119 | P | A | 0.0000 | |
| 120 | N | A | -1.1600 | |
| 121 | N | A | -1.3112 | |
| 122 | P | A | -1.1837 | |
| 123 | A | A | -1.1093 | |
| 124 | Q | A | -1.4958 | |
| 125 | Y | A | 0.0000 | |
| 126 | P | A | -0.6599 | |
| 127 | A | A | -0.2757 | |
| 128 | F | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | T | A | -0.2334 | |
| 132 | N | A | 0.0000 | |
| 133 | P | A | 0.0000 | |
| 134 | G | A | -0.8277 | |
| 135 | K | A | -1.3039 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.3858 | |
| 140 | N | A | -1.7272 | |
| 141 | C | A | -1.2377 | |
| 142 | C | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | -0.8223 | |
| 145 | G | A | -0.4455 | |
| 146 | A | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0193 | |
| 149 | G | A | -0.1286 | |
| 150 | V | A | -0.1070 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | S | A | -0.5820 | |
| 154 | T | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -1.4211 | |
| 157 | L | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | E | A | -1.6507 | |
| 160 | R | A | -2.3719 | |
| 161 | S | A | -1.8002 | |
| 162 | K | A | -1.2472 | |
| 163 | P | A | -0.7309 | |
| 164 | N | A | -1.1534 | |
| 165 | N | A | -1.6009 | |
| 166 | P | A | -1.2341 | |
| 167 | A | A | -1.0659 | |
| 168 | Q | A | -1.6547 | |
| 169 | Y | A | -1.3134 | |
| 170 | P | A | -0.8818 | |
| 171 | A | A | -0.3340 | |
| 172 | F | A | 0.0000 | |
| 173 | S | A | -0.1856 | |
| 174 | V | A | 0.0000 | |
| 175 | T | A | -0.1858 | |
| 176 | N | A | 0.0000 | |
| 177 | P | A | 0.0000 | |
| 178 | G | A | -0.8320 | |
| 179 | E | A | -1.1192 | |
| 180 | L | A | 0.0000 | |
| 181 | H | A | -0.8251 | |
| 182 | L | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | D | A | -1.3889 | |
| 185 | N | A | -1.5121 | |
| 186 | L | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | G | A | -0.6924 | |
| 189 | D | A | -0.8882 | |
| 190 | A | A | -0.4721 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -1.5291 | |
| 194 | L | A | -0.2264 | |
| 195 | L | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | E | A | -2.0627 | |
| 198 | G | A | 0.0000 | |
| 199 | L | A | -0.5894 | |
| 200 | L | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | E | A | -3.5100 | |
| 203 | R | A | -3.5570 | |
| 204 | S | A | -2.5758 | |
| 205 | K | A | -3.2588 | |
| 206 | P | A | -2.1476 | |
| 207 | N | A | 0.0000 | |
| 208 | N | A | -1.0833 | |
| 209 | P | A | -0.9664 | |
| 210 | A | A | -0.5457 | |
| 211 | Q | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | P | A | -0.1721 | |
| 214 | A | A | 0.1696 | |
| 215 | F | A | 0.0000 | |
| 216 | S | A | -0.1243 | |
| 217 | V | A | 0.0000 | |
| 218 | T | A | -0.1340 | |
| 219 | N | A | 0.0000 | |
| 220 | P | A | 0.0000 | |
| 221 | G | A | -0.8405 | |
| 222 | K | A | -1.1616 | |
| 223 | L | A | 0.0000 | |
| 224 | Q | A | -0.6624 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -1.1382 | |
| 227 | Y | A | -0.7066 | |
| 228 | C | A | 0.0000 | |
| 229 | S | A | -1.2070 | |
| 230 | L | A | 0.0000 | |
| 231 | S | A | -1.4460 | |
| 232 | A | A | -1.4017 | |
| 233 | A | A | -0.9317 | |
| 234 | S | A | 0.0000 | |
| 235 | C | A | 0.0000 | |
| 236 | E | A | -2.2064 | |
| 237 | P | A | -1.4382 | |
| 238 | L | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | S | A | -1.2785 | |
| 241 | V | A | -1.2626 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | -1.7214 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | E | A | 0.0000 | |
| 247 | R | A | -1.9154 | |
| 248 | S | A | 0.0000 | |
| 249 | K | A | 0.0000 | |
| 250 | P | A | -1.6263 | |
| 251 | N | A | -1.9132 | |
| 252 | N | A | -1.9174 | |
| 253 | P | A | 0.0000 | |
| 254 | A | A | -0.7482 | |
| 255 | Q | A | -0.8059 | |
| 256 | Y | A | 0.4101 | |
| 257 | P | A | 0.0000 | |
| 258 | A | A | 0.2474 | |
| 259 | F | A | 0.0000 | |
| 260 | S | A | -0.1001 | |
| 261 | V | A | 0.0000 | |
| 262 | T | A | -0.1431 | |
| 263 | N | A | 0.0000 | |
| 264 | P | A | 0.0000 | |
| 265 | G | A | -0.7531 | |
| 266 | E | A | -0.8208 | |
| 267 | L | A | -0.3587 | |
| 268 | T | A | -0.8747 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | N | A | -2.1045 | |
| 272 | N | A | -1.9298 | |
| 273 | D | A | -2.5775 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -2.5954 | |
| 276 | E | A | -3.0672 | |
| 277 | A | A | -2.0384 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -3.0496 | |
| 281 | V | A | -1.7699 | |
| 282 | L | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | Q | A | -2.0869 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -1.4813 | |
| 288 | D | A | -1.6990 | |
| 289 | S | A | 0.0000 | |
| 290 | E | A | 0.0000 | |
| 291 | R | A | -2.3960 | |
| 292 | S | A | -1.7273 | |
| 293 | K | A | 0.0000 | |
| 294 | P | A | 0.0000 | |
| 295 | N | A | -2.1787 | |
| 296 | N | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | A | A | -0.8499 | |
| 299 | Q | A | -1.4081 | |
| 300 | Y | A | 0.0000 | |
| 301 | P | A | -0.1205 | |
| 302 | A | A | 0.2709 | |
| 303 | F | A | 0.0000 | |
| 304 | S | A | 0.3470 | |
| 305 | V | A | 0.0000 | |
| 306 | T | A | -0.0653 | |
| 307 | N | A | 0.0000 | |
| 308 | P | A | 0.0000 | |
| 309 | G | A | -0.5119 | |
| 310 | A | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | K | A | -0.9239 | |
| 313 | L | A | 0.0000 | |
| 314 | E | A | -2.2900 | |
| 315 | S | A | -1.8349 | |
| 316 | C | A | 0.0000 | |
| 317 | G | A | -1.8083 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | -1.5989 | |
| 320 | S | A | -0.9642 | |
| 321 | D | A | -2.1365 | |
| 322 | N | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | R | A | -2.4860 | |
| 325 | D | A | -2.2143 | |
| 326 | L | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | G | A | -0.9981 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | A | A | -0.6450 | |
| 332 | S | A | -1.1523 | |
| 333 | S | A | 0.0000 | |
| 334 | E | A | 0.0000 | |
| 335 | R | A | -2.0945 | |
| 336 | S | A | 0.0000 | |
| 337 | K | A | 0.0000 | |
| 338 | P | A | -0.8573 | |
| 339 | N | A | 0.0000 | |
| 340 | N | A | 0.0000 | |
| 341 | P | A | 0.0000 | |
| 342 | A | A | -0.3757 | |
| 343 | Q | A | -1.2883 | |
| 344 | Y | A | 0.0000 | |
| 345 | P | A | -0.0975 | |
| 346 | A | A | 0.8429 | |
| 347 | F | A | 2.1637 | |
| 348 | S | A | 1.4262 | |
| 349 | V | A | 0.8932 | |
| 350 | T | A | 0.0403 | |
| 351 | N | A | -0.5253 | |
| 352 | P | A | -0.3813 | |
| 353 | G | A | -0.7595 | |
| 354 | E | A | -0.9719 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | -0.8602 | |
| 359 | S | A | -1.0026 | |
| 360 | N | A | 0.0000 | |
| 361 | K | A | -1.9040 | |
| 362 | L | A | 0.0000 | |
| 363 | G | A | -0.2459 | |
| 364 | D | A | -0.2494 | |
| 365 | V | A | 0.8996 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | A | A | -0.2158 | |
| 369 | E | A | -0.6781 | |
| 370 | L | A | 0.0000 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | -0.3677 | |
| 373 | G | A | -0.3044 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | 0.3605 | |
| 376 | S | A | -0.1511 | |
| 377 | E | A | -1.0452 | |
| 378 | R | A | 0.0000 | |
| 379 | S | A | 0.0000 | |
| 380 | K | A | -1.6326 | |
| 381 | P | A | -1.1770 | |
| 382 | N | A | -0.3697 | |
| 383 | N | A | -0.3091 | |
| 384 | P | A | -0.4370 | |
| 385 | A | A | -0.2999 | |
| 386 | Q | A | 0.0670 | |
| 387 | Y | A | 0.8274 | |
| 388 | P | A | 0.4310 | |
| 389 | A | A | 1.5166 | |
| 390 | F | A | 2.3069 | |
| 391 | S | A | 0.0000 | |
| 392 | V | A | 0.7434 | |
| 393 | T | A | 0.0000 | |
| 394 | N | A | -0.3600 | |
| 395 | P | A | 0.0000 | |
| 396 | G | A | -0.7564 | |
| 397 | T | A | 0.0000 | |
| 398 | L | A | 0.0000 | |
| 399 | W | A | 0.1720 | |
| 400 | I | A | 0.0000 | |
| 401 | W | A | -0.1841 | |
| 402 | E | A | -1.2596 | |
| 403 | C | A | -1.1899 | |
| 404 | G | A | -1.2161 | |
| 405 | I | A | 0.0000 | |
| 406 | T | A | -1.4120 | |
| 407 | A | A | -1.6265 | |
| 408 | K | A | -1.8328 | |
| 409 | G | A | 0.0000 | |
| 410 | C | A | 0.0000 | |
| 411 | G | A | -1.3062 | |
| 412 | D | A | -1.1332 | |
| 413 | L | A | 0.0000 | |
| 414 | C | A | 0.0000 | |
| 415 | R | A | -1.5569 | |
| 416 | V | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | R | A | -1.6663 | |
| 419 | A | A | -1.1584 | |
| 420 | S | A | 0.0000 | |
| 421 | E | A | 0.0000 | |
| 422 | R | A | -1.9790 | |
| 423 | S | A | -1.2198 | |
| 424 | K | A | 0.0000 | |
| 425 | P | A | -0.7617 | |
| 426 | N | A | 0.0000 | |
| 427 | N | A | -0.8732 | |
| 428 | P | A | -0.8539 | |
| 429 | A | A | -0.6431 | |
| 430 | Q | A | -0.9595 | |
| 431 | Y | A | -0.3827 | |
| 432 | P | A | -0.5560 | |
| 433 | A | A | -0.0226 | |
| 434 | F | A | 0.0000 | |
| 435 | S | A | 0.0973 | |
| 436 | V | A | 0.0000 | |
| 437 | T | A | -0.3319 | |
| 438 | N | A | 0.0000 | |
| 439 | P | A | 0.0000 | |
| 440 | G | A | -0.6509 | |
| 441 | E | A | -0.8137 | |
| 442 | L | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | G | A | 0.0000 | |
| 447 | N | A | -2.4400 | |
| 448 | E | A | -2.9816 | |
| 449 | L | A | 0.0000 | |
| 450 | G | A | -2.1294 | |
| 451 | D | A | -2.4135 | |
| 452 | E | A | -2.7083 | |
| 453 | G | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | R | A | -1.5894 | |
| 456 | L | A | -1.0383 | |
| 457 | L | A | 0.0000 | |
| 458 | C | A | 0.0000 | |
| 459 | E | A | -0.8648 | |
| 460 | T | A | -0.8552 | |
| 461 | L | A | 0.0000 | |
| 462 | L | A | -0.1828 | |
| 463 | S | A | -0.5621 | |
| 464 | E | A | -1.1165 | |
| 465 | R | A | -0.7963 | |
| 466 | S | A | -0.6434 | |
| 467 | K | A | 0.0000 | |
| 468 | P | A | -0.3819 | |
| 469 | N | A | -0.7251 | |
| 470 | N | A | -0.9190 | |
| 471 | P | A | -0.8359 | |
| 472 | A | A | -0.8499 | |
| 473 | Q | A | -1.2779 | |
| 474 | Y | A | -0.7362 | |
| 475 | P | A | 0.0000 | |
| 476 | A | A | -0.1746 | |
| 477 | F | A | 0.0000 | |
| 478 | S | A | -0.1760 | |
| 479 | V | A | 0.0000 | |
| 480 | T | A | -0.2459 | |
| 481 | N | A | 0.0000 | |
| 482 | P | A | 0.0000 | |
| 483 | G | A | -0.4428 | |
| 484 | S | A | -0.4139 | |
| 485 | L | A | 0.0000 | |
| 486 | W | A | 0.1304 | |
| 487 | V | A | 0.0000 | |
| 488 | K | A | -1.3803 | |
| 489 | S | A | -1.6271 | |
| 490 | C | A | 0.0000 | |
| 491 | S | A | -2.1776 | |
| 492 | F | A | 0.0000 | |
| 493 | T | A | -1.2356 | |
| 494 | A | A | -1.0648 | |
| 495 | A | A | -0.8143 | |
| 496 | C | A | 0.0000 | |
| 497 | C | A | -0.8029 | |
| 498 | S | A | -0.7862 | |
| 499 | H | A | -0.6489 | |
| 500 | F | A | 0.0000 | |
| 501 | S | A | -0.7473 | |
| 502 | S | A | -0.4501 | |
| 503 | V | A | -0.0286 | |
| 504 | L | A | -0.1002 | |
| 505 | A | A | -0.7355 | |
| 506 | Q | A | -0.5472 | |
| 507 | S | A | -0.9816 | |
| 508 | E | A | 0.0000 | |
| 509 | R | A | -2.4050 | |
| 510 | S | A | -1.3684 | |
| 511 | K | A | -1.4091 | |
| 512 | P | A | -1.1996 | |
| 513 | N | A | -1.2366 | |
| 514 | N | A | -0.9788 | |
| 515 | P | A | -0.7745 | |
| 516 | A | A | -0.3901 | |
| 517 | Q | A | -0.7133 | |
| 518 | Y | A | 0.0000 | |
| 519 | P | A | -0.2304 | |
| 520 | A | A | -0.1292 | |
| 521 | F | A | 0.0000 | |
| 522 | S | A | -0.2044 | |
| 523 | V | A | 0.0000 | |
| 524 | T | A | -0.2156 | |
| 525 | N | A | 0.0000 | |
| 526 | P | A | -0.1254 | |
| 527 | G | A | -0.3507 | |
| 528 | E | A | -0.3910 | |
| 529 | L | A | 0.0000 | |
| 530 | Q | A | -0.0892 | |
| 531 | I | A | 0.0000 | |
| 532 | S | A | -1.3254 | |
| 533 | N | A | -2.2086 | |
| 534 | N | A | 0.0000 | |
| 535 | R | A | -2.8523 | |
| 536 | L | A | 0.0000 | |
| 537 | E | A | -2.3748 | |
| 538 | D | A | -2.1511 | |
| 539 | A | A | -1.4185 | |
| 540 | G | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | R | A | -2.3381 | |
| 543 | E | A | -1.8592 | |
| 544 | L | A | 0.0000 | |
| 545 | C | A | 0.0000 | |
| 546 | Q | A | -2.0198 | |
| 547 | G | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | G | A | 0.0000 | |
| 550 | S | A | -1.5512 | |
| 551 | E | A | -2.5687 | |
| 552 | R | A | 0.0000 | |
| 553 | S | A | -1.0935 | |
| 554 | K | A | 0.0000 | |
| 555 | P | A | -0.9292 | |
| 556 | N | A | -1.4180 | |
| 557 | N | A | -1.1519 | |
| 558 | P | A | -0.9428 | |
| 559 | A | A | -0.4102 | |
| 560 | Q | A | 0.0000 | |
| 561 | Y | A | 0.0000 | |
| 562 | P | A | -0.2353 | |
| 563 | A | A | -0.1378 | |
| 564 | F | A | 0.0000 | |
| 565 | S | A | -0.2626 | |
| 566 | V | A | 0.0000 | |
| 567 | T | A | -0.1751 | |
| 568 | N | A | 0.0000 | |
| 569 | P | A | 0.0000 | |
| 570 | G | A | -0.5217 | |
| 571 | V | A | 0.0000 | |
| 572 | L | A | 0.0000 | |
| 573 | W | A | 0.0341 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | -1.4832 | |
| 576 | D | A | -2.8421 | |
| 577 | C | A | 0.0000 | |
| 578 | D | A | -2.7637 | |
| 579 | V | A | 0.0000 | |
| 580 | S | A | -1.3979 | |
| 581 | D | A | -1.8947 | |
| 582 | S | A | -1.4710 | |
| 583 | S | A | 0.0000 | |
| 584 | C | A | 0.0000 | |
| 585 | S | A | -0.9330 | |
| 586 | S | A | -1.0264 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | 0.0000 | |
| 589 | A | A | 0.0677 | |
| 590 | T | A | 0.0000 | |
| 591 | L | A | 0.0000 | |
| 592 | L | A | 0.8916 | |
| 593 | A | A | -0.4139 | |
| 594 | S | A | 0.0000 | |
| 595 | E | A | -1.3074 | |
| 596 | R | A | -2.2573 | |
| 597 | S | A | 0.0000 | |
| 598 | K | A | -1.4003 | |
| 599 | P | A | 0.0000 | |
| 600 | N | A | -1.2506 | |
| 601 | N | A | -1.1401 | |
| 602 | P | A | -0.7665 | |
| 603 | A | A | -0.2540 | |
| 604 | Q | A | -0.5994 | |
| 605 | Y | A | 0.0000 | |
| 606 | P | A | 0.1661 | |
| 607 | A | A | 0.0407 | |
| 608 | F | A | 0.0000 | |
| 609 | S | A | -0.2395 | |
| 610 | V | A | 0.0000 | |
| 611 | T | A | -0.2011 | |
| 612 | N | A | 0.0000 | |
| 613 | P | A | 0.0000 | |
| 614 | G | A | -0.5767 | |
| 615 | E | A | -0.9341 | |
| 616 | L | A | 0.0000 | |
| 617 | D | A | 0.0000 | |
| 618 | L | A | 0.0000 | |
| 619 | S | A | 0.0000 | |
| 620 | N | A | -1.3956 | |
| 621 | N | A | -1.4315 | |
| 622 | C | A | -0.5643 | |
| 623 | L | A | 0.0000 | |
| 624 | G | A | -0.4343 | |
| 625 | D | A | -0.5750 | |
| 626 | A | A | -0.6937 | |
| 627 | G | A | -1.1265 | |
| 628 | I | A | 0.0000 | |
| 629 | L | A | -1.0163 | |
| 630 | Q | A | -1.5808 | |
| 631 | L | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | E | A | -2.5543 | |
| 634 | S | A | -1.1847 | |
| 635 | V | A | 0.0000 | |
| 636 | R | A | -3.0555 | |
| 637 | S | A | -2.0229 | |
| 638 | E | A | -3.3017 | |
| 639 | R | A | -3.0122 | |
| 640 | S | A | 0.0000 | |
| 641 | K | A | -1.6051 | |
| 642 | P | A | -1.6204 | |
| 643 | N | A | -1.1100 | |
| 644 | N | A | -1.1573 | |
| 645 | P | A | -0.8492 | |
| 646 | A | A | -0.2459 | |
| 647 | Q | A | 0.0000 | |
| 648 | Y | A | 0.6277 | |
| 649 | P | A | 0.0000 | |
| 650 | A | A | 0.2866 | |
| 651 | F | A | 0.0000 | |
| 652 | S | A | -0.2468 | |
| 653 | V | A | 0.0000 | |
| 654 | T | A | -0.4280 | |
| 655 | N | A | 0.0000 | |
| 656 | P | A | 0.0000 | |
| 657 | G | A | -0.7326 | |
| 658 | Q | A | -0.5625 | |
| 659 | L | A | 0.0000 | |
| 660 | V | A | 0.8548 | |
| 661 | L | A | 0.0000 | |
| 662 | Y | A | 1.2142 | |
| 663 | D | A | 0.0562 | |
| 664 | I | A | 0.8466 | |
| 665 | Y | A | 1.5314 | |
| 666 | W | A | 0.3697 | |
| 667 | S | A | -1.2212 | |
| 668 | E | A | -3.1031 | |
| 669 | E | A | -3.5739 | |
| 670 | M | A | 0.0000 | |
| 671 | E | A | -2.9232 | |
| 672 | D | A | -3.6442 | |
| 673 | R | A | -3.4625 | |
| 674 | L | A | 0.0000 | |
| 675 | Q | A | -3.4808 | |
| 676 | A | A | -2.8787 | |
| 677 | L | A | 0.0000 | |
| 678 | E | A | -4.6616 | |
| 679 | K | A | -4.2354 | |
| 680 | D | A | -3.6929 | |
| 681 | S | A | -3.9760 | |
| 682 | E | A | -4.1809 | |
| 683 | R | A | -3.9403 | |
| 684 | S | A | -3.2078 | |
| 685 | K | A | -2.2858 | |
| 686 | P | A | -1.5917 | |
| 687 | N | A | -1.7425 | |
| 688 | N | A | -1.1389 | |
| 689 | P | A | -0.6785 | |
| 690 | A | A | -0.6118 | |
| 691 | Q | A | -0.9242 | |
| 692 | Y | A | 0.5524 | |
| 693 | P | A | 0.0000 | |
| 694 | A | A | -0.3173 | |
| 695 | F | A | 0.0000 | |
| 696 | S | A | -0.7167 | |
| 697 | V | A | 0.0000 | |
| 698 | T | A | -1.5178 | |
| 699 | N | A | 0.0000 | |
| 700 | P | A | 0.0000 | |
| 701 | G | A | -2.0489 | |
| 702 | R | A | -1.9952 | |
| 703 | V | A | -0.2837 | |
| 704 | I | A | 1.8315 | |
| 705 | S | A | 1.0340 |
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, -0.71 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_3 | -0.71 | View | CSV | PDB |
| model_7 | -0.7357 | View | CSV | PDB |
| model_5 | -0.7442 | View | CSV | PDB |
| model_1 | -0.7456 | View | CSV | PDB |
| model_4 | -0.7534 | View | CSV | PDB |
| CABS_average | -0.7591 | View | CSV | PDB |
| model_10 | -0.7592 | View | CSV | PDB |
| model_2 | -0.7637 | View | CSV | PDB |
| model_9 | -0.7664 | View | CSV | PDB |
| model_6 | -0.7684 | View | CSV | PDB |
| model_8 | -0.774 | View | CSV | PDB |
| model_0 | -0.7863 | View | CSV | PDB |
| model_11 | -0.8018 | View | CSV | PDB |
| input | -0.8825 | 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