Project name: C27_E11_EF_D68_EF_INTERFACE_SAT
Status: done
Started: 2026-07-21 13:42:55
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEALKLESCGVTSDNCRDLCGIVAMPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELALGSNKLGDVGMAELCPGLLLFTYLRFDAEITILTTLWIWECGITAKGCGDLCRVLRALFTYLRFDAEITILTELSLAGNELGDEGARLLCETLLLFTYLRFDAEITILTSLWVKSCSFTAACCSHFSSVLAQLFTYLRFDAEITILTELQISNNRLEDAGVRELCQGLGLFTYLRFDAEITILTVLWLADCDVSDSSCSSLAATLLALFTYLRFDAEITILTELDLSNNCLGDAGILQLVESVRLFTYLRFDAEITILTQLVLYDIYWSEEMEDRLQALEKDLFTYLRFDAEITILTRVIS
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 (00:11:09)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (02:36:32)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (02:36:38)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (02:36:44)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (02:36:50)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (02:36:56)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (02:37:02)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (02:37:09)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (02:37:16)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (02:37:21)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (02:37:28)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (02:37:35)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (02:37:41)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (02:37:47)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:38:02)
[INFO] Main: Simulation completed successfully. (02:38:08)
|
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
- -3.9567
- Maximal score value
- 1.6089
- Average score
- -0.4914
- Total score value
- -385.7274
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 | 0.0427 | |
| 2 | L | A | 0.5480 | |
| 3 | D | A | -1.2905 | |
| 4 | I | A | -0.5545 | |
| 5 | Q | A | -1.1640 | |
| 6 | S | A | -1.4261 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.3048 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.2189 | |
| 11 | C | A | -1.2715 | |
| 12 | E | A | -2.3267 | |
| 13 | E | A | -3.0224 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -1.9020 | |
| 16 | D | A | -2.4983 | |
| 17 | A | A | -1.5852 | |
| 18 | R | A | -1.9901 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4533 | |
| 21 | E | A | -2.1206 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.5240 | |
| 24 | P | A | -0.5376 | |
| 25 | L | A | -0.0807 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.4883 | |
| 28 | P | A | 0.2507 | |
| 29 | P | A | 0.1180 | |
| 30 | L | A | 0.9637 | |
| 31 | T | A | -0.2228 | |
| 32 | H | A | -1.2296 | |
| 33 | Q | A | -1.0241 | |
| 34 | V | A | 0.5304 | |
| 35 | M | A | 0.9166 | |
| 36 | Y | A | 1.2548 | |
| 37 | I | A | 1.3616 | |
| 38 | P | A | 0.5045 | |
| 39 | P | A | -0.4042 | |
| 40 | G | A | -0.3582 | |
| 41 | G | A | 0.4092 | |
| 42 | P | A | 0.4482 | |
| 43 | I | A | 1.3876 | |
| 44 | P | A | -0.0994 | |
| 45 | K | A | -1.4795 | |
| 46 | S | A | -0.9550 | |
| 47 | T | A | -0.5641 | |
| 48 | T | A | -0.7804 | |
| 49 | D | A | -0.8943 | |
| 50 | Y | A | 0.0000 | |
| 51 | A | A | 0.1791 | |
| 52 | W | A | 0.6676 | |
| 53 | Q | A | 0.1308 | |
| 54 | T | A | -0.5393 | |
| 55 | S | A | -0.6047 | |
| 56 | T | A | 0.0000 | |
| 57 | N | A | -1.2075 | |
| 58 | P | A | -0.7497 | |
| 59 | S | A | -0.0896 | |
| 60 | I | A | 0.0000 | |
| 61 | F | A | 1.5372 | |
| 62 | W | A | 0.2833 | |
| 63 | T | A | -0.1900 | |
| 64 | E | A | -1.3226 | |
| 65 | V | A | 0.0000 | |
| 66 | R | A | -1.8863 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | 0.0000 | |
| 69 | D | A | -2.6544 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.0134 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.6385 | |
| 74 | E | A | -2.1867 | |
| 75 | A | A | -1.2048 | |
| 76 | R | A | -1.6415 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.2799 | |
| 79 | D | A | -1.6968 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -1.4014 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | R | A | -1.7753 | |
| 86 | V | A | -0.5137 | |
| 87 | P | A | -0.1950 | |
| 88 | P | A | 0.1482 | |
| 89 | L | A | 0.2184 | |
| 90 | T | A | 0.0009 | |
| 91 | H | A | -0.3613 | |
| 92 | Q | A | -0.3306 | |
| 93 | V | A | 0.5407 | |
| 94 | M | A | 0.0000 | |
| 95 | Y | A | 0.7689 | |
| 96 | I | A | 0.4806 | |
| 97 | P | A | -0.0461 | |
| 98 | P | A | -0.5937 | |
| 99 | G | A | -0.6438 | |
| 100 | G | A | -0.0873 | |
| 101 | P | A | -0.2581 | |
| 102 | I | A | 0.3097 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.9549 | |
| 105 | S | A | -1.2787 | |
| 106 | T | A | -0.7555 | |
| 107 | T | A | -1.1871 | |
| 108 | D | A | -1.9079 | |
| 109 | Y | A | 0.0000 | |
| 110 | A | A | -0.5328 | |
| 111 | W | A | 0.1251 | |
| 112 | Q | A | 0.0998 | |
| 113 | T | A | -0.2171 | |
| 114 | S | A | -0.1957 | |
| 115 | T | A | 0.0000 | |
| 116 | N | A | 0.0000 | |
| 117 | P | A | -0.4075 | |
| 118 | S | A | -0.0923 | |
| 119 | I | A | 0.0000 | |
| 120 | F | A | 0.9950 | |
| 121 | W | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | E | A | -0.7360 | |
| 124 | E | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.2789 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.1907 | |
| 129 | S | A | -1.9807 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.6714 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.6654 | |
| 134 | D | A | -0.0679 | |
| 135 | V | A | 0.8079 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.4716 | |
| 139 | C | A | -0.8512 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.4647 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | Q | A | -0.7535 | |
| 146 | P | A | -0.1095 | |
| 147 | P | A | 0.0000 | |
| 148 | L | A | 1.3276 | |
| 149 | T | A | 0.5667 | |
| 150 | H | A | 0.0094 | |
| 151 | Q | A | -0.2461 | |
| 152 | V | A | 0.3791 | |
| 153 | M | A | 0.0000 | |
| 154 | Y | A | 0.8959 | |
| 155 | I | A | 0.4600 | |
| 156 | P | A | 0.0000 | |
| 157 | P | A | -0.5978 | |
| 158 | G | A | -0.7855 | |
| 159 | G | A | -0.2462 | |
| 160 | P | A | -0.4628 | |
| 161 | I | A | -0.2555 | |
| 162 | P | A | 0.0000 | |
| 163 | K | A | -2.1448 | |
| 164 | S | A | -1.2098 | |
| 165 | T | A | -0.7134 | |
| 166 | T | A | -1.0547 | |
| 167 | D | A | -1.6418 | |
| 168 | Y | A | 0.0000 | |
| 169 | A | A | -0.4164 | |
| 170 | W | A | 0.2426 | |
| 171 | Q | A | 0.0000 | |
| 172 | T | A | -0.0563 | |
| 173 | S | A | 0.0344 | |
| 174 | T | A | 0.0000 | |
| 175 | N | A | 0.0000 | |
| 176 | P | A | -0.3177 | |
| 177 | S | A | -0.0216 | |
| 178 | I | A | 0.0000 | |
| 179 | F | A | 0.5248 | |
| 180 | W | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | E | A | -0.9122 | |
| 183 | K | A | -1.3613 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.3625 | |
| 188 | N | A | -1.7135 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.3737 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.4900 | |
| 193 | G | A | 0.1788 | |
| 194 | A | A | 0.3536 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.0203 | |
| 198 | V | A | -0.0255 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.7211 | |
| 202 | T | A | 0.0000 | |
| 203 | L | A | -0.7403 | |
| 204 | R | A | -1.5612 | |
| 205 | T | A | -0.9654 | |
| 206 | P | A | -0.4022 | |
| 207 | P | A | 0.0000 | |
| 208 | L | A | 0.3091 | |
| 209 | T | A | 0.0861 | |
| 210 | H | A | 0.0000 | |
| 211 | Q | A | -0.2294 | |
| 212 | V | A | 0.5224 | |
| 213 | M | A | 0.0000 | |
| 214 | Y | A | 0.8429 | |
| 215 | I | A | 0.0000 | |
| 216 | P | A | -0.1240 | |
| 217 | P | A | -0.6953 | |
| 218 | G | A | -0.7657 | |
| 219 | G | A | -0.2294 | |
| 220 | P | A | -0.3751 | |
| 221 | I | A | -0.1405 | |
| 222 | P | A | 0.0000 | |
| 223 | K | A | -2.0878 | |
| 224 | S | A | -1.3513 | |
| 225 | T | A | -0.7480 | |
| 226 | T | A | -1.1266 | |
| 227 | D | A | -1.7953 | |
| 228 | Y | A | 0.0000 | |
| 229 | A | A | -0.5143 | |
| 230 | W | A | 0.2391 | |
| 231 | Q | A | 0.0000 | |
| 232 | T | A | -0.1281 | |
| 233 | S | A | -0.1125 | |
| 234 | T | A | 0.0000 | |
| 235 | N | A | 0.0000 | |
| 236 | P | A | -0.2989 | |
| 237 | S | A | 0.0819 | |
| 238 | I | A | 0.5126 | |
| 239 | F | A | 0.6373 | |
| 240 | W | A | 0.2789 | |
| 241 | T | A | 0.0000 | |
| 242 | E | A | -0.8448 | |
| 243 | E | A | -1.1654 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -0.9756 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.6092 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4467 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0885 | |
| 253 | D | A | -0.4640 | |
| 254 | A | A | -0.2172 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.6805 | |
| 258 | L | A | 0.2469 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -0.6551 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | L | A | 0.4908 | |
| 265 | P | A | 0.3884 | |
| 266 | P | A | 0.5480 | |
| 267 | L | A | 1.2140 | |
| 268 | T | A | 0.5071 | |
| 269 | H | A | 0.0000 | |
| 270 | Q | A | -0.1883 | |
| 271 | V | A | 0.3632 | |
| 272 | M | A | 0.0000 | |
| 273 | Y | A | 0.9985 | |
| 274 | I | A | 0.4625 | |
| 275 | P | A | 0.0000 | |
| 276 | P | A | -0.5600 | |
| 277 | G | A | -0.6738 | |
| 278 | G | A | -0.1378 | |
| 279 | P | A | -0.4181 | |
| 280 | I | A | -0.2504 | |
| 281 | P | A | 0.0000 | |
| 282 | K | A | -2.1703 | |
| 283 | S | A | -1.4269 | |
| 284 | T | A | -0.7847 | |
| 285 | T | A | -0.9756 | |
| 286 | D | A | -1.9610 | |
| 287 | Y | A | 0.0000 | |
| 288 | A | A | -0.3363 | |
| 289 | W | A | 0.1874 | |
| 290 | Q | A | 0.1036 | |
| 291 | T | A | -0.1046 | |
| 292 | S | A | -0.0254 | |
| 293 | T | A | 0.0000 | |
| 294 | N | A | 0.0000 | |
| 295 | P | A | -0.3050 | |
| 296 | S | A | 0.0929 | |
| 297 | I | A | 0.5530 | |
| 298 | F | A | 0.7052 | |
| 299 | W | A | 0.4160 | |
| 300 | T | A | 0.0000 | |
| 301 | E | A | -0.6630 | |
| 302 | K | A | -1.1066 | |
| 303 | L | A | 0.0000 | |
| 304 | Q | A | -0.5834 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.3173 | |
| 307 | Y | A | 0.4964 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.1182 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9823 | |
| 312 | A | A | -1.2612 | |
| 313 | A | A | -0.8293 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.1376 | |
| 317 | P | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -1.3667 | |
| 321 | V | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | R | A | -2.6556 | |
| 324 | A | A | -1.0271 | |
| 325 | P | A | -0.5995 | |
| 326 | P | A | 0.0316 | |
| 327 | L | A | 0.4878 | |
| 328 | T | A | 0.0546 | |
| 329 | H | A | -0.2702 | |
| 330 | Q | A | -0.2836 | |
| 331 | V | A | 0.5285 | |
| 332 | M | A | 0.0000 | |
| 333 | Y | A | 0.9955 | |
| 334 | I | A | 0.5090 | |
| 335 | P | A | 0.0373 | |
| 336 | P | A | -0.4540 | |
| 337 | G | A | -0.6776 | |
| 338 | G | A | -0.1441 | |
| 339 | P | A | -0.5457 | |
| 340 | I | A | -0.3727 | |
| 341 | P | A | -1.2025 | |
| 342 | K | A | -2.1818 | |
| 343 | S | A | -1.4495 | |
| 344 | T | A | -0.7702 | |
| 345 | T | A | -1.1259 | |
| 346 | D | A | -1.8965 | |
| 347 | Y | A | 0.0000 | |
| 348 | A | A | -0.4116 | |
| 349 | W | A | 0.2402 | |
| 350 | Q | A | 0.1540 | |
| 351 | T | A | -0.1975 | |
| 352 | S | A | -0.1800 | |
| 353 | T | A | 0.0000 | |
| 354 | N | A | 0.0000 | |
| 355 | P | A | -0.3117 | |
| 356 | S | A | 0.1046 | |
| 357 | I | A | 0.6113 | |
| 358 | F | A | 0.7063 | |
| 359 | W | A | 0.3742 | |
| 360 | T | A | 0.0000 | |
| 361 | E | A | -0.4068 | |
| 362 | E | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.8624 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.1967 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -2.0086 | |
| 372 | E | A | -2.5791 | |
| 373 | A | A | -1.4612 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.9599 | |
| 377 | V | A | -1.6731 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.7494 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | K | A | -2.3946 | |
| 384 | D | A | -2.6133 | |
| 385 | P | A | -1.0392 | |
| 386 | P | A | -0.1389 | |
| 387 | L | A | 0.9699 | |
| 388 | T | A | 0.4468 | |
| 389 | H | A | 0.0527 | |
| 390 | Q | A | -0.1270 | |
| 391 | V | A | 0.5547 | |
| 392 | M | A | 0.0000 | |
| 393 | Y | A | 1.0635 | |
| 394 | I | A | 0.6202 | |
| 395 | P | A | 0.0034 | |
| 396 | P | A | -0.4771 | |
| 397 | G | A | -0.5699 | |
| 398 | G | A | -0.1579 | |
| 399 | P | A | -0.3914 | |
| 400 | I | A | -0.0363 | |
| 401 | P | A | 0.0000 | |
| 402 | K | A | -2.1045 | |
| 403 | S | A | -1.3854 | |
| 404 | T | A | -0.7136 | |
| 405 | T | A | -1.0553 | |
| 406 | D | A | -1.6852 | |
| 407 | Y | A | 0.0000 | |
| 408 | A | A | -0.4476 | |
| 409 | W | A | 0.2586 | |
| 410 | Q | A | 0.1144 | |
| 411 | T | A | -0.1370 | |
| 412 | S | A | -0.1120 | |
| 413 | T | A | 0.0000 | |
| 414 | N | A | 0.0000 | |
| 415 | P | A | -0.3026 | |
| 416 | S | A | 0.1500 | |
| 417 | I | A | 0.6545 | |
| 418 | F | A | 0.7873 | |
| 419 | W | A | 0.4948 | |
| 420 | T | A | 0.0000 | |
| 421 | E | A | -0.4349 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | K | A | -0.5161 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.6963 | |
| 427 | S | A | -1.3211 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.8053 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.8614 | |
| 432 | S | A | -1.5407 | |
| 433 | D | A | -2.7731 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.9187 | |
| 437 | D | A | -2.7050 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.9987 | |
| 440 | G | A | -1.1375 | |
| 441 | I | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | A | A | -0.0095 | |
| 444 | M | A | -0.1829 | |
| 445 | P | A | 0.0388 | |
| 446 | P | A | 0.2142 | |
| 447 | L | A | 0.0279 | |
| 448 | T | A | -0.3997 | |
| 449 | H | A | -0.6056 | |
| 450 | Q | A | -0.6708 | |
| 451 | V | A | 0.1229 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 1.2790 | |
| 454 | I | A | 0.7375 | |
| 455 | P | A | -0.0636 | |
| 456 | P | A | -0.4754 | |
| 457 | G | A | -0.6932 | |
| 458 | G | A | -0.2917 | |
| 459 | P | A | -0.6017 | |
| 460 | I | A | -0.2146 | |
| 461 | P | A | 0.0000 | |
| 462 | K | A | -2.1922 | |
| 463 | S | A | -1.4394 | |
| 464 | T | A | -0.7687 | |
| 465 | T | A | -0.9422 | |
| 466 | D | A | -1.6793 | |
| 467 | Y | A | -0.3447 | |
| 468 | A | A | 0.0333 | |
| 469 | W | A | -0.0215 | |
| 470 | Q | A | -0.6855 | |
| 471 | T | A | -0.6995 | |
| 472 | S | A | -0.5544 | |
| 473 | T | A | -0.4245 | |
| 474 | N | A | -0.3128 | |
| 475 | P | A | -0.6423 | |
| 476 | S | A | -0.0007 | |
| 477 | I | A | 0.8480 | |
| 478 | F | A | 1.2025 | |
| 479 | W | A | 0.5011 | |
| 480 | T | A | 0.0000 | |
| 481 | E | A | 0.0000 | |
| 482 | E | A | -0.9032 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.2895 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.0424 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.6343 | |
| 492 | D | A | -0.3096 | |
| 493 | V | A | 0.5666 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.3325 | |
| 497 | E | A | -1.2353 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.4845 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | L | A | 0.3365 | |
| 504 | L | A | 0.9373 | |
| 505 | F | A | 0.9340 | |
| 506 | T | A | 0.0000 | |
| 507 | Y | A | 1.6089 | |
| 508 | L | A | 0.0632 | |
| 509 | R | A | -1.9526 | |
| 510 | F | A | -2.0654 | |
| 511 | D | A | -2.8802 | |
| 512 | A | A | -2.3193 | |
| 513 | E | A | -2.6469 | |
| 514 | I | A | -0.9068 | |
| 515 | T | A | -0.1882 | |
| 516 | I | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | T | A | -0.3177 | |
| 519 | T | A | 0.0000 | |
| 520 | L | A | 0.0000 | |
| 521 | W | A | -0.0226 | |
| 522 | I | A | 0.0000 | |
| 523 | W | A | -0.6653 | |
| 524 | E | A | -2.4207 | |
| 525 | C | A | 0.0000 | |
| 526 | G | A | -1.5225 | |
| 527 | I | A | 0.0000 | |
| 528 | T | A | -1.5260 | |
| 529 | A | A | -1.7385 | |
| 530 | K | A | -1.8331 | |
| 531 | G | A | 0.0000 | |
| 532 | C | A | 0.0000 | |
| 533 | G | A | -1.6117 | |
| 534 | D | A | -1.5021 | |
| 535 | L | A | 0.0000 | |
| 536 | C | A | 0.0000 | |
| 537 | R | A | -2.2067 | |
| 538 | V | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | R | A | -1.2320 | |
| 541 | A | A | -0.2289 | |
| 542 | L | A | 0.0000 | |
| 543 | F | A | 0.0000 | |
| 544 | T | A | 0.2694 | |
| 545 | Y | A | 1.0593 | |
| 546 | L | A | -0.1478 | |
| 547 | R | A | -2.3700 | |
| 548 | F | A | -2.8928 | |
| 549 | D | A | -3.6062 | |
| 550 | A | A | -2.9186 | |
| 551 | E | A | -2.8448 | |
| 552 | I | A | 0.0000 | |
| 553 | T | A | -0.6517 | |
| 554 | I | A | 0.0000 | |
| 555 | L | A | 0.0000 | |
| 556 | T | A | -0.1419 | |
| 557 | E | A | -0.3406 | |
| 558 | L | A | 0.0000 | |
| 559 | S | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | A | A | -0.9074 | |
| 562 | G | A | -1.6074 | |
| 563 | N | A | 0.0000 | |
| 564 | E | A | -2.3427 | |
| 565 | L | A | 0.0000 | |
| 566 | G | A | -1.3634 | |
| 567 | D | A | -1.4135 | |
| 568 | E | A | -1.6740 | |
| 569 | G | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | R | A | -1.5335 | |
| 572 | L | A | -1.4339 | |
| 573 | L | A | 0.0000 | |
| 574 | C | A | 0.0000 | |
| 575 | E | A | -1.5695 | |
| 576 | T | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | L | A | -0.0106 | |
| 579 | L | A | 0.2792 | |
| 580 | F | A | 0.0000 | |
| 581 | T | A | 0.0000 | |
| 582 | Y | A | 1.4320 | |
| 583 | L | A | 0.3213 | |
| 584 | R | A | -2.2281 | |
| 585 | F | A | -2.6815 | |
| 586 | D | A | -3.5708 | |
| 587 | A | A | 0.0000 | |
| 588 | E | A | -2.7149 | |
| 589 | I | A | 0.0000 | |
| 590 | T | A | -0.4966 | |
| 591 | I | A | 0.0000 | |
| 592 | L | A | 0.0000 | |
| 593 | T | A | -0.1162 | |
| 594 | S | A | 0.0000 | |
| 595 | L | A | 0.0000 | |
| 596 | W | A | 0.1382 | |
| 597 | V | A | 0.0000 | |
| 598 | K | A | -0.8038 | |
| 599 | S | A | -1.7230 | |
| 600 | C | A | 0.0000 | |
| 601 | S | A | -1.5647 | |
| 602 | F | A | 0.0000 | |
| 603 | T | A | -1.2293 | |
| 604 | A | A | -1.3591 | |
| 605 | A | A | -0.7608 | |
| 606 | C | A | 0.0000 | |
| 607 | C | A | 0.0000 | |
| 608 | S | A | -1.0135 | |
| 609 | H | A | -0.9741 | |
| 610 | F | A | 0.0000 | |
| 611 | S | A | -0.9366 | |
| 612 | S | A | -0.7124 | |
| 613 | V | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | A | A | 0.0400 | |
| 616 | Q | A | 0.4601 | |
| 617 | L | A | 0.0000 | |
| 618 | F | A | 0.5887 | |
| 619 | T | A | 0.7727 | |
| 620 | Y | A | 1.3485 | |
| 621 | L | A | -0.0359 | |
| 622 | R | A | -1.9850 | |
| 623 | F | A | -2.2022 | |
| 624 | D | A | -3.1990 | |
| 625 | A | A | -2.5933 | |
| 626 | E | A | -2.6838 | |
| 627 | I | A | -0.8579 | |
| 628 | T | A | -0.1897 | |
| 629 | I | A | 0.2890 | |
| 630 | L | A | 0.0000 | |
| 631 | T | A | -0.0524 | |
| 632 | E | A | -0.1603 | |
| 633 | L | A | 0.0000 | |
| 634 | Q | A | 0.0000 | |
| 635 | I | A | 0.0000 | |
| 636 | S | A | 0.0000 | |
| 637 | N | A | -2.4716 | |
| 638 | N | A | 0.0000 | |
| 639 | R | A | -3.2248 | |
| 640 | L | A | 0.0000 | |
| 641 | E | A | -2.8233 | |
| 642 | D | A | -2.2019 | |
| 643 | A | A | -1.4691 | |
| 644 | G | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | R | A | -2.6511 | |
| 647 | E | A | -2.4118 | |
| 648 | L | A | 0.0000 | |
| 649 | C | A | 0.0000 | |
| 650 | Q | A | -1.8777 | |
| 651 | G | A | 0.0000 | |
| 652 | L | A | 0.0000 | |
| 653 | G | A | -0.0993 | |
| 654 | L | A | 0.6822 | |
| 655 | F | A | 0.0000 | |
| 656 | T | A | 0.0000 | |
| 657 | Y | A | 1.2873 | |
| 658 | L | A | 0.1064 | |
| 659 | R | A | -2.4401 | |
| 660 | F | A | 0.0000 | |
| 661 | D | A | -3.4622 | |
| 662 | A | A | -2.8743 | |
| 663 | E | A | -3.0198 | |
| 664 | I | A | -1.4192 | |
| 665 | T | A | -0.5857 | |
| 666 | I | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | T | A | -0.0601 | |
| 669 | V | A | 0.0243 | |
| 670 | L | A | 0.0000 | |
| 671 | W | A | -0.0913 | |
| 672 | L | A | 0.0000 | |
| 673 | A | A | -1.4775 | |
| 674 | D | A | -3.0397 | |
| 675 | C | A | 0.0000 | |
| 676 | D | A | -3.3057 | |
| 677 | V | A | 0.0000 | |
| 678 | S | A | -0.9219 | |
| 679 | D | A | -0.9439 | |
| 680 | S | A | -1.0339 | |
| 681 | S | A | 0.0000 | |
| 682 | C | A | 0.0000 | |
| 683 | S | A | -0.5915 | |
| 684 | S | A | -1.0135 | |
| 685 | L | A | 0.0000 | |
| 686 | A | A | 0.0000 | |
| 687 | A | A | -0.0881 | |
| 688 | T | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | L | A | 0.4532 | |
| 691 | A | A | 0.6828 | |
| 692 | L | A | 0.0000 | |
| 693 | F | A | 0.0000 | |
| 694 | T | A | 0.4862 | |
| 695 | Y | A | 1.3332 | |
| 696 | L | A | -0.2034 | |
| 697 | R | A | -2.2019 | |
| 698 | F | A | -2.9646 | |
| 699 | D | A | -3.7772 | |
| 700 | A | A | -3.2734 | |
| 701 | E | A | -2.9972 | |
| 702 | I | A | 0.0000 | |
| 703 | T | A | -0.6812 | |
| 704 | I | A | 0.0000 | |
| 705 | L | A | 0.0000 | |
| 706 | T | A | -0.1635 | |
| 707 | E | A | -0.4885 | |
| 708 | L | A | 0.0000 | |
| 709 | D | A | -0.2024 | |
| 710 | L | A | 0.0000 | |
| 711 | S | A | 0.0000 | |
| 712 | N | A | -2.0429 | |
| 713 | N | A | 0.0000 | |
| 714 | C | A | -0.3045 | |
| 715 | L | A | 0.0000 | |
| 716 | G | A | -0.1068 | |
| 717 | D | A | -1.2295 | |
| 718 | A | A | -0.5734 | |
| 719 | G | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | L | A | -0.6116 | |
| 722 | Q | A | -1.0947 | |
| 723 | L | A | 0.0000 | |
| 724 | V | A | 0.0000 | |
| 725 | E | A | -1.4624 | |
| 726 | S | A | 0.0000 | |
| 727 | V | A | 0.0000 | |
| 728 | R | A | -1.0093 | |
| 729 | L | A | 0.4753 | |
| 730 | F | A | 0.0000 | |
| 731 | T | A | 0.8105 | |
| 732 | Y | A | 1.1999 | |
| 733 | L | A | 0.2831 | |
| 734 | R | A | -2.0453 | |
| 735 | F | A | -2.5072 | |
| 736 | D | A | -3.5120 | |
| 737 | A | A | 0.0000 | |
| 738 | E | A | -2.8780 | |
| 739 | I | A | 0.0000 | |
| 740 | T | A | -0.7426 | |
| 741 | I | A | 0.0000 | |
| 742 | L | A | 0.0000 | |
| 743 | T | A | -0.7067 | |
| 744 | Q | A | -0.9541 | |
| 745 | L | A | 0.0000 | |
| 746 | V | A | 0.0000 | |
| 747 | L | A | 0.0000 | |
| 748 | Y | A | 0.0819 | |
| 749 | D | A | -1.3991 | |
| 750 | I | A | 0.0000 | |
| 751 | Y | A | 0.6304 | |
| 752 | W | A | -0.5243 | |
| 753 | S | A | -1.9248 | |
| 754 | E | A | -3.4986 | |
| 755 | E | A | -3.8773 | |
| 756 | M | A | 0.0000 | |
| 757 | E | A | -3.3011 | |
| 758 | D | A | -3.9567 | |
| 759 | R | A | -3.1398 | |
| 760 | L | A | 0.0000 | |
| 761 | Q | A | -2.5902 | |
| 762 | A | A | -2.1966 | |
| 763 | L | A | 0.0000 | |
| 764 | E | A | -1.9724 | |
| 765 | K | A | -1.8133 | |
| 766 | D | A | -0.8304 | |
| 767 | L | A | 0.0000 | |
| 768 | F | A | 1.4177 | |
| 769 | T | A | 0.7560 | |
| 770 | Y | A | 1.5494 | |
| 771 | L | A | 0.7399 | |
| 772 | R | A | -1.4082 | |
| 773 | F | A | -1.9894 | |
| 774 | D | A | -2.9441 | |
| 775 | A | A | -2.7371 | |
| 776 | E | A | -2.7690 | |
| 777 | I | A | 0.0000 | |
| 778 | T | A | -0.5615 | |
| 779 | I | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | T | A | -0.8256 | |
| 782 | R | A | -2.0216 | |
| 783 | V | A | 0.0000 | |
| 784 | I | A | -0.0565 | |
| 785 | S | A | -0.0198 |
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, -0.4914 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 | -0.4914 | View | CSV | PDB |
| model_9 | -0.5207 | View | CSV | PDB |
| model_5 | -0.532 | View | CSV | PDB |
| model_10 | -0.5347 | View | CSV | PDB |
| model_2 | -0.537 | View | CSV | PDB |
| model_1 | -0.5386 | View | CSV | PDB |
| model_0 | -0.5422 | View | CSV | PDB |
| CABS_average | -0.5491 | View | CSV | PDB |
| model_8 | -0.5532 | View | CSV | PDB |
| model_4 | -0.5548 | View | CSV | PDB |
| model_6 | -0.5583 | View | CSV | PDB |
| model_7 | -0.5621 | View | CSV | PDB |
| model_3 | -0.5693 | View | CSV | PDB |
| model_11 | -0.5868 | 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