Project name: C42_B3_EF_INTERFACE_SAT
Status: done
Started: 2026-07-21 13:47:50
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQEAEMGCATLDNTPSSAELLGVRLDDCGLTEARCKDISSALRVEAEMGCATLDNTPSSAELLGELNLRSNELGDVGVHCVLQGLQEAEMGCATLDNTPSSAELLGKLSLQNCCLTGAGCGVLSSTLRTEAEMGCATLDNTPSSAELLGELHLSDNLLGDAGLQLLCEGLLEAEMGCATLDNTPSSAELLGKLQLEYCSLSAASCEPLASVLRAEAEMGCATLDNTPSSAELLGELTVSNNDINEAGVRVLCQGLKDEAEMGCATLDNTPSSAELLGALKLESCGVTSDNCRDLCGIVASEAEMGCATLDNTPSSAELLGELALGSNKLGDVGMAELCPGLLEAEMGCATLDNTPSSAELLGTLWIWECGITAKGCGDLCRVLRAEAEMGCATLDNTPSSAELLGELSLAGNELGDEGARLLCETLLEAEMGCATLDNTPSSAELLGSLWVKSCSFTAACCSHFSSVLAQEAEMGCATLDNTPSSAELLGELQISNNRLEDAGVRELCQGLYEAEMGCATLDNTPSSAELLGVLWLADCDVSDSSCSSLAATLLWEAEMGCATLDNTPSSAELLGELDLSNNCLGDAGILQLVESVREAEMGCATLDNTPSSAELLGQLVLYDIYWSEEMEDRLQALEKDEAEMGCATLDNTPSSAELLGRVIS
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 (00:09:35)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:02:03)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:02:08)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:02:13)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:02:18)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:02:22)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:02:27)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:02:31)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:02:36)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:02:41)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:02:46)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:02:50)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:02:55)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:03:00)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:03:12)
[INFO] Main: Simulation completed successfully. (02:03:17)
|
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
- -4.7774
- Maximal score value
- 1.1003
- Average score
- -0.7316
- Total score value
- -504.0543
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 | -0.5967 | |
| 2 | L | A | -1.0041 | |
| 3 | D | A | -1.8328 | |
| 4 | I | A | -0.7998 | |
| 5 | Q | A | -0.6128 | |
| 6 | S | A | -0.8957 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.3759 | |
| 9 | I | A | -1.6725 | |
| 10 | Q | A | -2.1941 | |
| 11 | C | A | -0.9447 | |
| 12 | E | A | 0.0000 | |
| 13 | E | A | -2.1330 | |
| 14 | L | A | -1.5017 | |
| 15 | S | A | -1.9613 | |
| 16 | D | A | -2.5060 | |
| 17 | A | A | -1.9572 | |
| 18 | R | A | -2.8679 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5484 | |
| 21 | E | A | -2.1395 | |
| 22 | L | A | -1.1009 | |
| 23 | L | A | -0.4371 | |
| 24 | P | A | -0.5019 | |
| 25 | L | A | 0.3985 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.5573 | |
| 28 | E | A | -1.1255 | |
| 29 | A | A | -0.2916 | |
| 30 | E | A | 0.0000 | |
| 31 | M | A | 0.5248 | |
| 32 | G | A | 0.0107 | |
| 33 | C | A | 0.7035 | |
| 34 | A | A | 0.2734 | |
| 35 | T | A | -0.1732 | |
| 36 | L | A | 0.0000 | |
| 37 | D | A | 0.0000 | |
| 38 | N | A | -1.7116 | |
| 39 | T | A | -1.0005 | |
| 40 | P | A | -0.8003 | |
| 41 | S | A | -0.7650 | |
| 42 | S | A | -0.9961 | |
| 43 | A | A | 0.0000 | |
| 44 | E | A | -1.5088 | |
| 45 | L | A | -0.8501 | |
| 46 | L | A | 0.0000 | |
| 47 | G | A | -0.7448 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -1.8877 | |
| 50 | L | A | 0.0000 | |
| 51 | D | A | -1.4556 | |
| 52 | D | A | -1.1406 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -0.7174 | |
| 57 | E | A | -1.5615 | |
| 58 | A | A | -1.4497 | |
| 59 | R | A | 0.0000 | |
| 60 | C | A | 0.0000 | |
| 61 | K | A | -1.7233 | |
| 62 | D | A | -1.0711 | |
| 63 | I | A | -0.7830 | |
| 64 | S | A | 0.0000 | |
| 65 | S | A | -1.2197 | |
| 66 | A | A | 0.0000 | |
| 67 | L | A | -1.4407 | |
| 68 | R | A | -2.3986 | |
| 69 | V | A | -1.2936 | |
| 70 | E | A | -0.9633 | |
| 71 | A | A | 0.0000 | |
| 72 | E | A | -2.0979 | |
| 73 | M | A | -0.7895 | |
| 74 | G | A | 0.0000 | |
| 75 | C | A | -0.8837 | |
| 76 | A | A | -1.0087 | |
| 77 | T | A | 0.0000 | |
| 78 | L | A | -1.3605 | |
| 79 | D | A | -2.3146 | |
| 80 | N | A | -1.7757 | |
| 81 | T | A | 0.0000 | |
| 82 | P | A | -0.9806 | |
| 83 | S | A | -0.5609 | |
| 84 | S | A | -0.5660 | |
| 85 | A | A | 0.0000 | |
| 86 | E | A | -0.8096 | |
| 87 | L | A | -0.3592 | |
| 88 | L | A | -0.4239 | |
| 89 | G | A | -0.7604 | |
| 90 | E | A | -0.8032 | |
| 91 | L | A | -0.4010 | |
| 92 | N | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -1.6639 | |
| 95 | S | A | -1.2581 | |
| 96 | N | A | -1.4523 | |
| 97 | E | A | -2.2675 | |
| 98 | L | A | -1.2176 | |
| 99 | G | A | -0.6959 | |
| 100 | D | A | -0.2842 | |
| 101 | V | A | 0.6949 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | H | A | -0.7087 | |
| 105 | C | A | -0.7947 | |
| 106 | V | A | -0.5647 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -1.8317 | |
| 109 | G | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -1.5955 | |
| 112 | E | A | -2.1694 | |
| 113 | A | A | 0.0000 | |
| 114 | E | A | 0.0000 | |
| 115 | M | A | -0.0397 | |
| 116 | G | A | -0.7954 | |
| 117 | C | A | 0.0000 | |
| 118 | A | A | -0.1500 | |
| 119 | T | A | -0.5357 | |
| 120 | L | A | 0.0000 | |
| 121 | D | A | -2.6062 | |
| 122 | N | A | -1.9300 | |
| 123 | T | A | 0.0000 | |
| 124 | P | A | -0.8933 | |
| 125 | S | A | -0.5376 | |
| 126 | S | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | E | A | -0.8210 | |
| 129 | L | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | G | A | -0.7477 | |
| 132 | K | A | -0.8735 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -1.3471 | |
| 137 | N | A | -1.6338 | |
| 138 | C | A | 0.0000 | |
| 139 | C | A | -0.9151 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | -0.3976 | |
| 142 | G | A | -0.3136 | |
| 143 | A | A | -0.1042 | |
| 144 | G | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | -0.2512 | |
| 147 | V | A | -0.5025 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | -0.8116 | |
| 150 | S | A | -0.9960 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | R | A | -2.4111 | |
| 154 | T | A | -1.2215 | |
| 155 | E | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | E | A | -1.3426 | |
| 158 | M | A | -0.6505 | |
| 159 | G | A | 0.0000 | |
| 160 | C | A | -0.9616 | |
| 161 | A | A | -1.4264 | |
| 162 | T | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | D | A | -3.0001 | |
| 165 | N | A | -2.8659 | |
| 166 | T | A | 0.0000 | |
| 167 | P | A | -1.3759 | |
| 168 | S | A | -0.8394 | |
| 169 | S | A | -0.4268 | |
| 170 | A | A | 0.0000 | |
| 171 | E | A | -0.7501 | |
| 172 | L | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | -0.8283 | |
| 175 | E | A | -1.0899 | |
| 176 | L | A | 0.0000 | |
| 177 | H | A | -0.8541 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | D | A | -1.2326 | |
| 181 | N | A | -1.0730 | |
| 182 | L | A | 0.0000 | |
| 183 | L | A | -0.2558 | |
| 184 | G | A | -0.5596 | |
| 185 | D | A | -0.7886 | |
| 186 | A | A | -0.3760 | |
| 187 | G | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -1.0253 | |
| 190 | L | A | -0.3235 | |
| 191 | L | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | E | A | -1.5984 | |
| 194 | G | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | -0.5770 | |
| 197 | E | A | -1.3510 | |
| 198 | A | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | M | A | 0.6710 | |
| 201 | G | A | -0.1501 | |
| 202 | C | A | 0.0000 | |
| 203 | A | A | -0.1415 | |
| 204 | T | A | 0.1205 | |
| 205 | L | A | -0.4896 | |
| 206 | D | A | -1.9953 | |
| 207 | N | A | 0.0000 | |
| 208 | T | A | 0.0000 | |
| 209 | P | A | -1.0859 | |
| 210 | S | A | -0.4883 | |
| 211 | S | A | -0.5049 | |
| 212 | A | A | -0.5674 | |
| 213 | E | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | K | A | -0.8920 | |
| 218 | L | A | -0.4404 | |
| 219 | Q | A | -0.7425 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -0.8907 | |
| 222 | Y | A | -0.1661 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.9174 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.4449 | |
| 227 | A | A | -1.4375 | |
| 228 | A | A | -0.9192 | |
| 229 | S | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | E | A | -2.0388 | |
| 232 | P | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | -1.5956 | |
| 235 | S | A | -1.3835 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -2.5188 | |
| 239 | A | A | -1.3796 | |
| 240 | E | A | -1.0636 | |
| 241 | A | A | 0.0000 | |
| 242 | E | A | -2.1464 | |
| 243 | M | A | 0.0000 | |
| 244 | G | A | -1.1736 | |
| 245 | C | A | -0.9576 | |
| 246 | A | A | -1.3846 | |
| 247 | T | A | 0.0000 | |
| 248 | L | A | -1.6250 | |
| 249 | D | A | -2.3430 | |
| 250 | N | A | -2.3544 | |
| 251 | T | A | -1.3641 | |
| 252 | P | A | 0.0000 | |
| 253 | S | A | -0.6638 | |
| 254 | S | A | -0.6418 | |
| 255 | A | A | -0.6377 | |
| 256 | E | A | -1.0076 | |
| 257 | L | A | -0.5746 | |
| 258 | L | A | -0.3582 | |
| 259 | G | A | -0.6426 | |
| 260 | E | A | -0.6749 | |
| 261 | L | A | 0.0000 | |
| 262 | T | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | N | A | -1.3900 | |
| 266 | N | A | -1.6014 | |
| 267 | D | A | -2.5092 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -2.2873 | |
| 270 | E | A | -2.1285 | |
| 271 | A | A | -1.3775 | |
| 272 | G | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | -2.5728 | |
| 275 | V | A | -1.5004 | |
| 276 | L | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | Q | A | -1.7351 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | K | A | -2.2227 | |
| 282 | D | A | -2.2355 | |
| 283 | E | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | E | A | -1.9190 | |
| 286 | M | A | -1.2028 | |
| 287 | G | A | -1.0788 | |
| 288 | C | A | -1.0026 | |
| 289 | A | A | -0.5121 | |
| 290 | T | A | -0.9556 | |
| 291 | L | A | 0.0000 | |
| 292 | D | A | -2.1265 | |
| 293 | N | A | -1.6373 | |
| 294 | T | A | -0.9548 | |
| 295 | P | A | -0.7084 | |
| 296 | S | A | -0.6972 | |
| 297 | S | A | -0.7388 | |
| 298 | A | A | -0.6773 | |
| 299 | E | A | -0.8031 | |
| 300 | L | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.6268 | |
| 303 | A | A | -0.5447 | |
| 304 | L | A | 0.0000 | |
| 305 | K | A | -0.4348 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -1.1773 | |
| 308 | S | A | -1.3507 | |
| 309 | C | A | 0.0000 | |
| 310 | G | A | -2.0427 | |
| 311 | V | A | 0.0000 | |
| 312 | T | A | -1.5094 | |
| 313 | S | A | -1.5415 | |
| 314 | D | A | -2.5821 | |
| 315 | N | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | R | A | -2.4720 | |
| 318 | D | A | -1.9660 | |
| 319 | L | A | 0.0000 | |
| 320 | C | A | 0.0000 | |
| 321 | G | A | -1.1245 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | A | A | -1.0578 | |
| 325 | S | A | -1.4875 | |
| 326 | E | A | -1.1359 | |
| 327 | A | A | 0.0000 | |
| 328 | E | A | -2.1672 | |
| 329 | M | A | -1.3770 | |
| 330 | G | A | 0.0000 | |
| 331 | C | A | -1.0317 | |
| 332 | A | A | -1.2851 | |
| 333 | T | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | D | A | -2.3359 | |
| 336 | N | A | -1.9801 | |
| 337 | T | A | -1.1275 | |
| 338 | P | A | -0.9068 | |
| 339 | S | A | -0.5683 | |
| 340 | S | A | -0.6409 | |
| 341 | A | A | -0.6600 | |
| 342 | E | A | -0.9455 | |
| 343 | L | A | -0.6024 | |
| 344 | L | A | 0.0000 | |
| 345 | G | A | -0.6934 | |
| 346 | E | A | -0.7628 | |
| 347 | L | A | -0.0314 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | 0.0350 | |
| 350 | G | A | 0.0000 | |
| 351 | S | A | -0.9266 | |
| 352 | N | A | -1.3563 | |
| 353 | K | A | -2.0940 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | -0.6758 | |
| 356 | D | A | -0.6333 | |
| 357 | V | A | 0.5657 | |
| 358 | G | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | A | A | -0.3953 | |
| 361 | E | A | -1.1658 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | P | A | -0.8880 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | -0.1198 | |
| 367 | L | A | -0.3560 | |
| 368 | E | A | -1.4963 | |
| 369 | A | A | 0.0000 | |
| 370 | E | A | 0.0000 | |
| 371 | M | A | 0.6997 | |
| 372 | G | A | -0.2975 | |
| 373 | C | A | 0.0000 | |
| 374 | A | A | -0.2091 | |
| 375 | T | A | 0.2883 | |
| 376 | L | A | 0.1459 | |
| 377 | D | A | -1.7867 | |
| 378 | N | A | 0.0000 | |
| 379 | T | A | -1.3116 | |
| 380 | P | A | 0.0000 | |
| 381 | S | A | -0.3847 | |
| 382 | S | A | -0.6975 | |
| 383 | A | A | 0.0000 | |
| 384 | E | A | -1.1262 | |
| 385 | L | A | 0.0000 | |
| 386 | L | A | -0.4967 | |
| 387 | G | A | -0.8066 | |
| 388 | T | A | -0.4574 | |
| 389 | L | A | 0.1506 | |
| 390 | W | A | 0.3651 | |
| 391 | I | A | 0.4779 | |
| 392 | W | A | -0.1090 | |
| 393 | E | A | -1.1274 | |
| 394 | C | A | 0.0000 | |
| 395 | G | A | -1.4085 | |
| 396 | I | A | 0.0000 | |
| 397 | T | A | -1.5547 | |
| 398 | A | A | -1.5781 | |
| 399 | K | A | -1.7794 | |
| 400 | G | A | 0.0000 | |
| 401 | C | A | 0.0000 | |
| 402 | G | A | -1.5203 | |
| 403 | D | A | -1.1407 | |
| 404 | L | A | -0.7183 | |
| 405 | C | A | 0.0000 | |
| 406 | R | A | -1.8229 | |
| 407 | V | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | R | A | -1.9516 | |
| 410 | A | A | -0.9878 | |
| 411 | E | A | 0.0000 | |
| 412 | A | A | 0.0000 | |
| 413 | E | A | -1.7623 | |
| 414 | M | A | 0.0000 | |
| 415 | G | A | 0.0000 | |
| 416 | C | A | -0.9922 | |
| 417 | A | A | -1.3897 | |
| 418 | T | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | D | A | -2.4974 | |
| 421 | N | A | -1.9632 | |
| 422 | T | A | -1.2785 | |
| 423 | P | A | -1.0318 | |
| 424 | S | A | -0.7560 | |
| 425 | S | A | 0.0000 | |
| 426 | A | A | 0.0000 | |
| 427 | E | A | -1.3119 | |
| 428 | L | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | -1.0367 | |
| 431 | E | A | -0.9650 | |
| 432 | L | A | 0.0000 | |
| 433 | S | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | G | A | -0.9361 | |
| 437 | N | A | -1.5894 | |
| 438 | E | A | -2.4271 | |
| 439 | L | A | 0.0000 | |
| 440 | G | A | -1.6552 | |
| 441 | D | A | -1.8071 | |
| 442 | E | A | -2.2818 | |
| 443 | G | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | R | A | -1.9673 | |
| 446 | L | A | -1.0551 | |
| 447 | L | A | 0.0000 | |
| 448 | C | A | 0.0000 | |
| 449 | E | A | -0.9502 | |
| 450 | T | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | L | A | 0.0058 | |
| 453 | E | A | -0.7010 | |
| 454 | A | A | 0.0000 | |
| 455 | E | A | 0.0000 | |
| 456 | M | A | 0.5162 | |
| 457 | G | A | -0.3742 | |
| 458 | C | A | 0.0000 | |
| 459 | A | A | -0.2483 | |
| 460 | T | A | -0.6284 | |
| 461 | L | A | 0.0000 | |
| 462 | D | A | -1.8379 | |
| 463 | N | A | 0.0000 | |
| 464 | T | A | -0.9078 | |
| 465 | P | A | -0.5478 | |
| 466 | S | A | -0.6274 | |
| 467 | S | A | -0.6983 | |
| 468 | A | A | 0.0000 | |
| 469 | E | A | -0.9235 | |
| 470 | L | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | G | A | -0.8112 | |
| 473 | S | A | 0.0000 | |
| 474 | L | A | 0.0000 | |
| 475 | W | A | -0.2266 | |
| 476 | V | A | 0.0000 | |
| 477 | K | A | -1.8306 | |
| 478 | S | A | -1.6330 | |
| 479 | C | A | 0.0000 | |
| 480 | S | A | -1.8547 | |
| 481 | F | A | 0.0000 | |
| 482 | T | A | -1.1161 | |
| 483 | A | A | -1.0711 | |
| 484 | A | A | -0.6997 | |
| 485 | C | A | 0.0000 | |
| 486 | C | A | 0.0000 | |
| 487 | S | A | -0.9705 | |
| 488 | H | A | -0.7930 | |
| 489 | F | A | 0.0000 | |
| 490 | S | A | 0.0000 | |
| 491 | S | A | -0.7134 | |
| 492 | V | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | A | A | 0.0000 | |
| 495 | Q | A | -0.9676 | |
| 496 | E | A | -0.7448 | |
| 497 | A | A | -1.0748 | |
| 498 | E | A | -1.7723 | |
| 499 | M | A | -1.0594 | |
| 500 | G | A | -1.2310 | |
| 501 | C | A | -1.3891 | |
| 502 | A | A | -1.4328 | |
| 503 | T | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | D | A | -2.6529 | |
| 506 | N | A | -2.4472 | |
| 507 | T | A | -1.5986 | |
| 508 | P | A | 0.0000 | |
| 509 | S | A | -0.9956 | |
| 510 | S | A | -0.4858 | |
| 511 | A | A | 0.0000 | |
| 512 | E | A | -0.7114 | |
| 513 | L | A | 0.0000 | |
| 514 | L | A | -0.2858 | |
| 515 | G | A | -0.4826 | |
| 516 | E | A | -0.7004 | |
| 517 | L | A | -0.0106 | |
| 518 | Q | A | -0.2004 | |
| 519 | I | A | 0.0000 | |
| 520 | S | A | 0.0000 | |
| 521 | N | A | -2.7640 | |
| 522 | N | A | 0.0000 | |
| 523 | R | A | -2.8174 | |
| 524 | L | A | 0.0000 | |
| 525 | E | A | -2.2911 | |
| 526 | D | A | -1.9054 | |
| 527 | A | A | -1.6347 | |
| 528 | G | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | R | A | -2.7636 | |
| 531 | E | A | -2.2531 | |
| 532 | L | A | 0.0000 | |
| 533 | C | A | 0.0000 | |
| 534 | Q | A | -1.7330 | |
| 535 | G | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | Y | A | 0.1814 | |
| 538 | E | A | -0.9055 | |
| 539 | A | A | 0.0000 | |
| 540 | E | A | 0.0000 | |
| 541 | M | A | 0.5419 | |
| 542 | G | A | -0.2801 | |
| 543 | C | A | 0.0000 | |
| 544 | A | A | -0.8005 | |
| 545 | T | A | 0.0000 | |
| 546 | L | A | -0.9957 | |
| 547 | D | A | -2.0884 | |
| 548 | N | A | -2.1118 | |
| 549 | T | A | -1.4816 | |
| 550 | P | A | -1.4050 | |
| 551 | S | A | 0.0000 | |
| 552 | S | A | -0.7832 | |
| 553 | A | A | 0.0000 | |
| 554 | E | A | -0.7830 | |
| 555 | L | A | -0.3174 | |
| 556 | L | A | -0.3698 | |
| 557 | G | A | -0.7810 | |
| 558 | V | A | -0.3647 | |
| 559 | L | A | 0.0000 | |
| 560 | W | A | 0.0855 | |
| 561 | L | A | 0.0000 | |
| 562 | A | A | -1.3968 | |
| 563 | D | A | -2.8554 | |
| 564 | C | A | 0.0000 | |
| 565 | D | A | -2.0190 | |
| 566 | V | A | 0.0000 | |
| 567 | S | A | -1.0448 | |
| 568 | D | A | -1.2235 | |
| 569 | S | A | -1.0843 | |
| 570 | S | A | 0.0000 | |
| 571 | C | A | 0.0000 | |
| 572 | S | A | -0.6778 | |
| 573 | S | A | -0.9853 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | -0.2039 | |
| 576 | A | A | 0.0977 | |
| 577 | T | A | 0.0000 | |
| 578 | L | A | 0.0000 | |
| 579 | L | A | -0.3088 | |
| 580 | W | A | 0.2368 | |
| 581 | E | A | 0.0000 | |
| 582 | A | A | 0.0000 | |
| 583 | E | A | -1.4247 | |
| 584 | M | A | 0.0000 | |
| 585 | G | A | 0.0000 | |
| 586 | C | A | -0.7700 | |
| 587 | A | A | -1.3299 | |
| 588 | T | A | 0.0000 | |
| 589 | L | A | -1.5238 | |
| 590 | D | A | -2.4558 | |
| 591 | N | A | -2.4572 | |
| 592 | T | A | -1.7103 | |
| 593 | P | A | 0.0000 | |
| 594 | S | A | -0.6093 | |
| 595 | S | A | -0.8561 | |
| 596 | A | A | 0.0000 | |
| 597 | E | A | -1.6732 | |
| 598 | L | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | G | A | -1.1966 | |
| 601 | E | A | -0.9657 | |
| 602 | L | A | 0.0000 | |
| 603 | D | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | S | A | 0.0000 | |
| 606 | N | A | -1.5293 | |
| 607 | N | A | -1.5655 | |
| 608 | C | A | -0.3911 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -0.2916 | |
| 611 | D | A | -0.3268 | |
| 612 | A | A | -0.3208 | |
| 613 | G | A | 0.0000 | |
| 614 | I | A | 0.0000 | |
| 615 | L | A | -0.4652 | |
| 616 | Q | A | -1.0052 | |
| 617 | L | A | 0.0000 | |
| 618 | V | A | 0.0000 | |
| 619 | E | A | -2.8255 | |
| 620 | S | A | -1.8525 | |
| 621 | V | A | 0.0000 | |
| 622 | R | A | -2.9131 | |
| 623 | E | A | -3.0437 | |
| 624 | A | A | 0.0000 | |
| 625 | E | A | -1.3269 | |
| 626 | M | A | -0.5492 | |
| 627 | G | A | -0.8880 | |
| 628 | C | A | 0.0000 | |
| 629 | A | A | 0.0646 | |
| 630 | T | A | -0.1543 | |
| 631 | L | A | -0.6175 | |
| 632 | D | A | -1.9377 | |
| 633 | N | A | -1.3792 | |
| 634 | T | A | -0.7386 | |
| 635 | P | A | -0.6561 | |
| 636 | S | A | -0.8179 | |
| 637 | S | A | -1.0679 | |
| 638 | A | A | -1.2897 | |
| 639 | E | A | -1.9597 | |
| 640 | L | A | 0.0000 | |
| 641 | L | A | 0.0000 | |
| 642 | G | A | -0.9969 | |
| 643 | Q | A | -1.0354 | |
| 644 | L | A | 0.0000 | |
| 645 | V | A | -0.1948 | |
| 646 | L | A | 0.0000 | |
| 647 | Y | A | -0.2392 | |
| 648 | D | A | -1.0164 | |
| 649 | I | A | 0.0000 | |
| 650 | Y | A | 0.9365 | |
| 651 | W | A | -0.7160 | |
| 652 | S | A | -2.2132 | |
| 653 | E | A | -3.9664 | |
| 654 | E | A | -4.3669 | |
| 655 | M | A | 0.0000 | |
| 656 | E | A | -4.6808 | |
| 657 | D | A | -4.7774 | |
| 658 | R | A | -3.9425 | |
| 659 | L | A | 0.0000 | |
| 660 | Q | A | -3.9279 | |
| 661 | A | A | -2.6980 | |
| 662 | L | A | -2.7950 | |
| 663 | E | A | -2.8879 | |
| 664 | K | A | -3.1399 | |
| 665 | D | A | -2.4570 | |
| 666 | E | A | -1.8304 | |
| 667 | A | A | -1.6777 | |
| 668 | E | A | -2.1561 | |
| 669 | M | A | -0.5865 | |
| 670 | G | A | -0.9503 | |
| 671 | C | A | -0.5750 | |
| 672 | A | A | 0.0000 | |
| 673 | T | A | -1.3585 | |
| 674 | L | A | 0.0000 | |
| 675 | D | A | -2.1863 | |
| 676 | N | A | -1.4617 | |
| 677 | T | A | -0.7105 | |
| 678 | P | A | -0.4510 | |
| 679 | S | A | -0.8297 | |
| 680 | S | A | -0.6842 | |
| 681 | A | A | -0.3009 | |
| 682 | E | A | -0.6433 | |
| 683 | L | A | 1.0260 | |
| 684 | L | A | 1.1003 | |
| 685 | G | A | -0.1587 | |
| 686 | R | A | -1.4073 | |
| 687 | V | A | -0.6323 | |
| 688 | I | A | -0.3717 | |
| 689 | S | A | -0.5722 |
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, -0.7316 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 | -0.7316 | View | CSV | PDB |
| model_9 | -0.734 | View | CSV | PDB |
| input | -0.7352 | View | CSV | PDB |
| model_10 | -0.7368 | View | CSV | PDB |
| model_1 | -0.7473 | View | CSV | PDB |
| model_11 | -0.7511 | View | CSV | PDB |
| model_5 | -0.7522 | View | CSV | PDB |
| CABS_average | -0.7587 | View | CSV | PDB |
| model_2 | -0.7588 | View | CSV | PDB |
| model_6 | -0.7619 | View | CSV | PDB |
| model_0 | -0.7687 | View | CSV | PDB |
| model_3 | -0.7852 | View | CSV | PDB |
| model_8 | -0.7878 | View | CSV | PDB |
| model_4 | -0.7891 | 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