Project name: C43_E11_EF_INTERFACE_SAT_corrected26
Status: done
Started: 2026-07-22 05:55:48
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEALKLESCGVTSDNCRDLCGIVASPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELALGSNKLGDVGMAELCPGLRPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTETLWIWECGITAKGCGDLCRVLRHPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELSLAGNELGDEGARLLCETLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTESLWVKSCSFTAACCSHFSSVLAQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELQISNNRLEDAGVRELCQGLGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEVLWLADCDVSDSSCSSLAATLLAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELDLSNNCLGDAGILQLVESVRPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEQLVLYDIYWSEEMEDRLQALEKDPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTERVIS
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:14:47)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:05:28)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:05:37)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:05:46)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:05:55)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:06:04)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:06:13)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:06:21)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:06:30)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:06:39)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:06:48)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:06:57)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:07:06)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:07:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:07:35)
[INFO] Main: Simulation completed successfully. (04:07:44)
|
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
- -4.1974
- Maximal score value
- 2.9573
- Average score
- -0.3635
- Total score value
- -349.3666
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 | 0.1605 | |
| 2 | L | A | 0.6559 | |
| 3 | D | A | -1.0722 | |
| 4 | I | A | -0.0878 | |
| 5 | Q | A | -1.2179 | |
| 6 | S | A | -1.2735 | |
| 7 | L | A | -0.9496 | |
| 8 | D | A | -2.2602 | |
| 9 | I | A | -1.8894 | |
| 10 | Q | A | -2.3657 | |
| 11 | C | A | -1.5603 | |
| 12 | E | A | -2.9986 | |
| 13 | E | A | -3.3836 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.3043 | |
| 16 | D | A | -2.6546 | |
| 17 | A | A | -1.8302 | |
| 18 | R | A | -2.5148 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.6062 | |
| 21 | E | A | -2.2421 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.5407 | |
| 24 | P | A | -0.3911 | |
| 25 | L | A | 0.3933 | |
| 26 | L | A | 0.0333 | |
| 27 | Q | A | -0.2767 | |
| 28 | P | A | 0.1206 | |
| 29 | P | A | 0.1170 | |
| 30 | L | A | 0.7484 | |
| 31 | T | A | 0.2746 | |
| 32 | H | A | 0.2224 | |
| 33 | Q | A | 0.4469 | |
| 34 | V | A | 1.1820 | |
| 35 | M | A | 1.5856 | |
| 36 | Y | A | 2.0053 | |
| 37 | I | A | 1.6027 | |
| 38 | P | A | 0.5095 | |
| 39 | P | A | -0.2842 | |
| 40 | G | A | -0.3447 | |
| 41 | G | A | 0.3128 | |
| 42 | P | A | 0.4525 | |
| 43 | I | A | 1.4735 | |
| 44 | P | A | 0.0197 | |
| 45 | K | A | -1.4018 | |
| 46 | S | A | -0.8782 | |
| 47 | T | A | -0.4363 | |
| 48 | T | A | -0.6488 | |
| 49 | D | A | -0.6231 | |
| 50 | Y | A | 0.2803 | |
| 51 | A | A | 0.4241 | |
| 52 | W | A | 0.9846 | |
| 53 | Q | A | 0.0000 | |
| 54 | T | A | 0.8893 | |
| 55 | S | A | 0.3381 | |
| 56 | T | A | -0.6335 | |
| 57 | N | A | -1.5452 | |
| 58 | P | A | 0.0000 | |
| 59 | S | A | 0.3314 | |
| 60 | I | A | 1.5622 | |
| 61 | F | A | 2.1877 | |
| 62 | W | A | 0.7715 | |
| 63 | T | A | -0.3554 | |
| 64 | E | A | -1.7071 | |
| 65 | V | A | -1.1955 | |
| 66 | R | A | -1.9730 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | 0.0000 | |
| 69 | D | A | -2.7995 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.1410 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.4089 | |
| 74 | E | A | -1.7126 | |
| 75 | A | A | -1.0090 | |
| 76 | R | A | -1.5768 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.0401 | |
| 79 | D | A | -1.6325 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -0.7727 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | -0.2114 | |
| 85 | R | A | -0.6643 | |
| 86 | V | A | 1.0651 | |
| 87 | P | A | 0.5172 | |
| 88 | P | A | 0.4859 | |
| 89 | L | A | 0.6648 | |
| 90 | T | A | 0.0000 | |
| 91 | H | A | -0.2309 | |
| 92 | Q | A | -0.1605 | |
| 93 | V | A | 0.4240 | |
| 94 | M | A | 0.6865 | |
| 95 | Y | A | 0.6146 | |
| 96 | I | A | 0.0000 | |
| 97 | P | A | -0.1897 | |
| 98 | P | A | -0.4841 | |
| 99 | G | A | -0.5330 | |
| 100 | G | A | 0.0000 | |
| 101 | P | A | -0.2109 | |
| 102 | I | A | 0.1498 | |
| 103 | P | A | -0.6890 | |
| 104 | K | A | -1.7930 | |
| 105 | S | A | -1.1372 | |
| 106 | T | A | -0.5522 | |
| 107 | T | A | -0.8632 | |
| 108 | D | A | -0.8949 | |
| 109 | Y | A | -0.1056 | |
| 110 | A | A | 0.0000 | |
| 111 | W | A | 0.4725 | |
| 112 | Q | A | 0.0000 | |
| 113 | T | A | 0.2768 | |
| 114 | S | A | -0.1920 | |
| 115 | T | A | -0.6359 | |
| 116 | N | A | -1.1268 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | 0.1783 | |
| 119 | I | A | 1.2316 | |
| 120 | F | A | 1.8283 | |
| 121 | W | A | 1.0209 | |
| 122 | T | A | -0.1198 | |
| 123 | E | A | -1.1664 | |
| 124 | E | A | -1.2230 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.3168 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.2985 | |
| 129 | S | A | -1.9597 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.5010 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.4458 | |
| 134 | D | A | 0.1173 | |
| 135 | V | A | 1.0110 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.1962 | |
| 139 | C | A | -0.5752 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.1714 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.4703 | |
| 145 | Q | A | -1.0608 | |
| 146 | P | A | -0.3105 | |
| 147 | P | A | 0.1551 | |
| 148 | L | A | 0.7616 | |
| 149 | T | A | 0.2802 | |
| 150 | H | A | -0.1738 | |
| 151 | Q | A | 0.0577 | |
| 152 | V | A | 0.3779 | |
| 153 | M | A | 0.5028 | |
| 154 | Y | A | 0.5163 | |
| 155 | I | A | 0.0000 | |
| 156 | P | A | -0.2331 | |
| 157 | P | A | -0.5102 | |
| 158 | G | A | -0.5272 | |
| 159 | G | A | -0.2226 | |
| 160 | P | A | 0.0487 | |
| 161 | I | A | 0.5134 | |
| 162 | P | A | -0.5827 | |
| 163 | K | A | -1.7253 | |
| 164 | S | A | -1.1031 | |
| 165 | T | A | -0.4804 | |
| 166 | T | A | -0.7621 | |
| 167 | D | A | -0.9656 | |
| 168 | Y | A | -0.1670 | |
| 169 | A | A | 0.0000 | |
| 170 | W | A | 0.3562 | |
| 171 | Q | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | T | A | -0.3986 | |
| 175 | N | A | -0.9174 | |
| 176 | P | A | 0.0000 | |
| 177 | S | A | 0.1403 | |
| 178 | I | A | 1.1504 | |
| 179 | F | A | 1.4090 | |
| 180 | W | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | E | A | -1.4972 | |
| 183 | K | A | -1.2968 | |
| 184 | L | A | -0.6394 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.2835 | |
| 188 | N | A | -1.6953 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.0455 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.5518 | |
| 193 | G | A | 0.1501 | |
| 194 | A | A | 0.3514 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.1321 | |
| 198 | V | A | 0.2072 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.3618 | |
| 202 | T | A | -0.4454 | |
| 203 | L | A | -0.1890 | |
| 204 | R | A | -0.8171 | |
| 205 | T | A | -0.5170 | |
| 206 | P | A | -0.3296 | |
| 207 | P | A | 0.0218 | |
| 208 | L | A | 0.4976 | |
| 209 | T | A | 0.0000 | |
| 210 | H | A | -0.2313 | |
| 211 | Q | A | -0.1243 | |
| 212 | V | A | 0.4301 | |
| 213 | M | A | 0.0000 | |
| 214 | Y | A | 0.4784 | |
| 215 | I | A | 0.0000 | |
| 216 | P | A | -0.2637 | |
| 217 | P | A | -0.6032 | |
| 218 | G | A | -0.5674 | |
| 219 | G | A | -0.2466 | |
| 220 | P | A | -0.0467 | |
| 221 | I | A | 0.3579 | |
| 222 | P | A | -0.5286 | |
| 223 | K | A | -1.6755 | |
| 224 | S | A | -1.0342 | |
| 225 | T | A | -0.4463 | |
| 226 | T | A | -0.6994 | |
| 227 | D | A | -0.7690 | |
| 228 | Y | A | -0.0588 | |
| 229 | A | A | 0.0000 | |
| 230 | W | A | 0.3261 | |
| 231 | Q | A | 0.0000 | |
| 232 | T | A | 0.0000 | |
| 233 | S | A | -0.0335 | |
| 234 | T | A | -0.4214 | |
| 235 | N | A | -0.8712 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | 0.2659 | |
| 238 | I | A | 1.1279 | |
| 239 | F | A | 1.3497 | |
| 240 | W | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | E | A | -1.4856 | |
| 243 | E | A | -1.1811 | |
| 244 | L | A | -0.5463 | |
| 245 | H | A | -0.7239 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.7017 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4507 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0678 | |
| 253 | D | A | -0.5277 | |
| 254 | A | A | -0.3155 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -1.0217 | |
| 258 | L | A | -0.1334 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -0.8998 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.4071 | |
| 264 | L | A | 0.6561 | |
| 265 | P | A | 0.3630 | |
| 266 | P | A | 0.3159 | |
| 267 | L | A | 0.7358 | |
| 268 | T | A | 0.2258 | |
| 269 | H | A | -0.1275 | |
| 270 | Q | A | 0.1089 | |
| 271 | V | A | 0.5209 | |
| 272 | M | A | 0.5785 | |
| 273 | Y | A | 0.5141 | |
| 274 | I | A | 0.0000 | |
| 275 | P | A | -0.2608 | |
| 276 | P | A | -0.5853 | |
| 277 | G | A | -0.6399 | |
| 278 | G | A | -0.3909 | |
| 279 | P | A | -0.3622 | |
| 280 | I | A | -0.1979 | |
| 281 | P | A | -0.8609 | |
| 282 | K | A | -1.8623 | |
| 283 | S | A | -1.1986 | |
| 284 | T | A | -0.5176 | |
| 285 | T | A | -0.8449 | |
| 286 | D | A | -1.1969 | |
| 287 | Y | A | -0.3847 | |
| 288 | A | A | 0.0000 | |
| 289 | W | A | 0.2065 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | T | A | -0.4862 | |
| 294 | N | A | -0.8471 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | 0.3486 | |
| 297 | I | A | 1.1697 | |
| 298 | F | A | 1.3496 | |
| 299 | W | A | 0.4107 | |
| 300 | T | A | -0.6894 | |
| 301 | E | A | -1.5702 | |
| 302 | K | A | -1.1743 | |
| 303 | L | A | -0.5125 | |
| 304 | Q | A | -0.3502 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.2272 | |
| 307 | Y | A | 0.4919 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.1257 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9750 | |
| 312 | A | A | -1.1853 | |
| 313 | A | A | -0.6571 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.0542 | |
| 317 | P | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -1.1220 | |
| 321 | V | A | -0.3491 | |
| 322 | L | A | -1.0442 | |
| 323 | R | A | -2.3336 | |
| 324 | A | A | -0.7432 | |
| 325 | P | A | -0.1766 | |
| 326 | P | A | 0.1323 | |
| 327 | L | A | 0.3601 | |
| 328 | T | A | 0.0000 | |
| 329 | H | A | -0.0424 | |
| 330 | Q | A | 0.1027 | |
| 331 | V | A | 0.5383 | |
| 332 | M | A | 0.0000 | |
| 333 | Y | A | 0.5087 | |
| 334 | I | A | 0.0000 | |
| 335 | P | A | -0.2170 | |
| 336 | P | A | -0.5660 | |
| 337 | G | A | -0.6062 | |
| 338 | G | A | 0.0000 | |
| 339 | P | A | -0.3740 | |
| 340 | I | A | -0.3058 | |
| 341 | P | A | -1.0222 | |
| 342 | K | A | -1.9919 | |
| 343 | S | A | -1.3068 | |
| 344 | T | A | -0.6797 | |
| 345 | T | A | -0.9907 | |
| 346 | D | A | -1.3145 | |
| 347 | Y | A | -0.3598 | |
| 348 | A | A | 0.0600 | |
| 349 | W | A | 0.2848 | |
| 350 | Q | A | 0.0000 | |
| 351 | T | A | 0.2872 | |
| 352 | S | A | -0.0152 | |
| 353 | T | A | -0.4574 | |
| 354 | N | A | -0.8468 | |
| 355 | P | A | 0.0000 | |
| 356 | S | A | 0.3502 | |
| 357 | I | A | 1.1475 | |
| 358 | F | A | 1.3358 | |
| 359 | W | A | 0.0000 | |
| 360 | T | A | -0.6889 | |
| 361 | E | A | -1.4093 | |
| 362 | E | A | -1.1034 | |
| 363 | L | A | -0.4166 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.6531 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.1499 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.9159 | |
| 372 | E | A | -2.3383 | |
| 373 | A | A | -1.2593 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.4611 | |
| 377 | V | A | -1.4850 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.4581 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -1.4205 | |
| 383 | K | A | -2.5680 | |
| 384 | D | A | -2.8540 | |
| 385 | P | A | -1.4282 | |
| 386 | P | A | -0.7563 | |
| 387 | L | A | 0.2858 | |
| 388 | T | A | 0.0000 | |
| 389 | H | A | -0.0421 | |
| 390 | Q | A | 0.1102 | |
| 391 | V | A | 0.5286 | |
| 392 | M | A | 0.0000 | |
| 393 | Y | A | 0.4618 | |
| 394 | I | A | 0.0000 | |
| 395 | P | A | -0.2486 | |
| 396 | P | A | -0.5620 | |
| 397 | G | A | -0.5585 | |
| 398 | G | A | -0.2423 | |
| 399 | P | A | 0.0145 | |
| 400 | I | A | 0.3418 | |
| 401 | P | A | -0.6009 | |
| 402 | K | A | -1.7392 | |
| 403 | S | A | -1.0083 | |
| 404 | T | A | -0.4103 | |
| 405 | T | A | -0.7360 | |
| 406 | D | A | -0.7501 | |
| 407 | Y | A | -0.0737 | |
| 408 | A | A | 0.0000 | |
| 409 | W | A | 0.4163 | |
| 410 | Q | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | S | A | 0.0271 | |
| 413 | T | A | -0.4584 | |
| 414 | N | A | -0.8925 | |
| 415 | P | A | 0.0000 | |
| 416 | S | A | 0.3080 | |
| 417 | I | A | 1.0991 | |
| 418 | F | A | 1.1854 | |
| 419 | W | A | 0.0000 | |
| 420 | T | A | -0.7954 | |
| 421 | E | A | -1.5058 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | -0.4168 | |
| 424 | K | A | -0.3421 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.5886 | |
| 427 | S | A | -1.1248 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.7720 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.6885 | |
| 432 | S | A | -1.4426 | |
| 433 | D | A | -2.7400 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.5614 | |
| 437 | D | A | -2.0605 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.8542 | |
| 440 | G | A | -0.8771 | |
| 441 | I | A | -0.6958 | |
| 442 | V | A | -0.1270 | |
| 443 | A | A | -0.3291 | |
| 444 | S | A | -0.5815 | |
| 445 | P | A | -0.3107 | |
| 446 | P | A | -0.3066 | |
| 447 | L | A | 0.3974 | |
| 448 | T | A | 0.1696 | |
| 449 | H | A | -0.0433 | |
| 450 | Q | A | 0.0476 | |
| 451 | V | A | 0.4630 | |
| 452 | M | A | 0.5358 | |
| 453 | Y | A | 0.4803 | |
| 454 | I | A | 0.0000 | |
| 455 | P | A | -0.2377 | |
| 456 | P | A | -0.6122 | |
| 457 | G | A | -0.5585 | |
| 458 | G | A | -0.2242 | |
| 459 | P | A | -0.0378 | |
| 460 | I | A | 0.4031 | |
| 461 | P | A | -0.5434 | |
| 462 | K | A | -1.6810 | |
| 463 | S | A | -1.0720 | |
| 464 | T | A | -0.4681 | |
| 465 | T | A | -0.7032 | |
| 466 | D | A | -0.9308 | |
| 467 | Y | A | -0.2525 | |
| 468 | A | A | 0.0000 | |
| 469 | W | A | 0.3692 | |
| 470 | Q | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | S | A | -0.0184 | |
| 473 | T | A | -0.5310 | |
| 474 | N | A | -0.8941 | |
| 475 | P | A | 0.0000 | |
| 476 | S | A | 0.2758 | |
| 477 | I | A | 1.0679 | |
| 478 | F | A | 1.2532 | |
| 479 | W | A | 0.0000 | |
| 480 | T | A | -0.7244 | |
| 481 | E | A | -1.4218 | |
| 482 | E | A | -1.1122 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.2824 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.2590 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.8780 | |
| 492 | D | A | -0.3976 | |
| 493 | V | A | 0.5658 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.3727 | |
| 497 | E | A | -1.0623 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -1.1295 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | -0.5454 | |
| 503 | R | A | -1.9199 | |
| 504 | P | A | -0.8074 | |
| 505 | P | A | -0.2736 | |
| 506 | L | A | 0.3305 | |
| 507 | T | A | 0.2093 | |
| 508 | H | A | -0.0074 | |
| 509 | Q | A | 0.0883 | |
| 510 | V | A | 0.2724 | |
| 511 | M | A | 0.0000 | |
| 512 | Y | A | 0.3890 | |
| 513 | I | A | 0.0000 | |
| 514 | P | A | -0.2555 | |
| 515 | P | A | -0.6041 | |
| 516 | G | A | -0.6335 | |
| 517 | G | A | -0.3040 | |
| 518 | P | A | -0.2761 | |
| 519 | I | A | -0.2176 | |
| 520 | P | A | -0.8848 | |
| 521 | K | A | -1.8603 | |
| 522 | S | A | -1.1472 | |
| 523 | T | A | -0.5237 | |
| 524 | T | A | -0.8775 | |
| 525 | D | A | -1.2499 | |
| 526 | Y | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | W | A | 0.1777 | |
| 529 | Q | A | 0.0000 | |
| 530 | T | A | 0.0000 | |
| 531 | S | A | 0.0000 | |
| 532 | T | A | -0.4914 | |
| 533 | N | A | -0.9588 | |
| 534 | P | A | 0.0000 | |
| 535 | S | A | 0.2152 | |
| 536 | I | A | 0.9907 | |
| 537 | F | A | 1.2911 | |
| 538 | W | A | 0.0000 | |
| 539 | T | A | -0.5808 | |
| 540 | E | A | -1.3156 | |
| 541 | T | A | -0.7760 | |
| 542 | L | A | -0.1108 | |
| 543 | W | A | 0.1584 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.6596 | |
| 546 | E | A | -2.4214 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.8609 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.6254 | |
| 551 | A | A | -1.8604 | |
| 552 | K | A | -2.1249 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | -1.7047 | |
| 556 | D | A | -1.7028 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.5511 | |
| 560 | V | A | -1.6630 | |
| 561 | L | A | -0.9805 | |
| 562 | R | A | -1.6838 | |
| 563 | H | A | -1.8403 | |
| 564 | P | A | -1.0109 | |
| 565 | P | A | -0.4456 | |
| 566 | L | A | 0.2325 | |
| 567 | T | A | 0.0000 | |
| 568 | H | A | -0.0277 | |
| 569 | Q | A | 0.0000 | |
| 570 | V | A | 0.0000 | |
| 571 | M | A | 0.0000 | |
| 572 | Y | A | 0.3897 | |
| 573 | I | A | 0.0000 | |
| 574 | P | A | -0.2725 | |
| 575 | P | A | -0.6065 | |
| 576 | G | A | -0.6279 | |
| 577 | G | A | -0.3361 | |
| 578 | P | A | -0.2572 | |
| 579 | I | A | -0.2420 | |
| 580 | P | A | 0.0000 | |
| 581 | K | A | -1.8471 | |
| 582 | S | A | -1.1151 | |
| 583 | T | A | -0.5668 | |
| 584 | T | A | -0.8660 | |
| 585 | D | A | -1.0891 | |
| 586 | Y | A | -0.3275 | |
| 587 | A | A | 0.0000 | |
| 588 | W | A | 0.0000 | |
| 589 | Q | A | 0.0000 | |
| 590 | T | A | 0.0000 | |
| 591 | S | A | 0.0000 | |
| 592 | T | A | -0.5193 | |
| 593 | N | A | -0.9836 | |
| 594 | P | A | 0.0000 | |
| 595 | S | A | 0.1881 | |
| 596 | I | A | 1.0168 | |
| 597 | F | A | 1.2513 | |
| 598 | W | A | 0.0000 | |
| 599 | T | A | -0.5808 | |
| 600 | E | A | -1.3553 | |
| 601 | E | A | -0.8770 | |
| 602 | L | A | -0.0419 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.8374 | |
| 606 | G | A | -1.5775 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.5400 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4113 | |
| 611 | D | A | -1.5147 | |
| 612 | E | A | -1.8867 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.6129 | |
| 616 | L | A | -1.5317 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -1.4619 | |
| 620 | T | A | 0.0000 | |
| 621 | L | A | 0.1800 | |
| 622 | L | A | 0.1537 | |
| 623 | P | A | 0.0654 | |
| 624 | P | A | 0.0219 | |
| 625 | L | A | 0.7390 | |
| 626 | T | A | 0.1834 | |
| 627 | H | A | -0.0767 | |
| 628 | Q | A | 0.1125 | |
| 629 | V | A | 0.2624 | |
| 630 | M | A | 0.0000 | |
| 631 | Y | A | 0.3829 | |
| 632 | I | A | 0.0000 | |
| 633 | P | A | -0.2756 | |
| 634 | P | A | -0.6114 | |
| 635 | G | A | -0.6118 | |
| 636 | G | A | 0.0000 | |
| 637 | P | A | -0.2376 | |
| 638 | I | A | -0.1648 | |
| 639 | P | A | 0.0000 | |
| 640 | K | A | -1.8261 | |
| 641 | S | A | -1.1165 | |
| 642 | T | A | -0.5087 | |
| 643 | T | A | -0.8085 | |
| 644 | D | A | -1.1458 | |
| 645 | Y | A | -0.3780 | |
| 646 | A | A | 0.0000 | |
| 647 | W | A | 0.0000 | |
| 648 | Q | A | 0.0000 | |
| 649 | T | A | 0.0000 | |
| 650 | S | A | 0.0000 | |
| 651 | T | A | -0.4356 | |
| 652 | N | A | -0.8714 | |
| 653 | P | A | 0.0000 | |
| 654 | S | A | 0.2408 | |
| 655 | I | A | 1.0615 | |
| 656 | F | A | 1.3428 | |
| 657 | W | A | 0.0000 | |
| 658 | T | A | -0.6162 | |
| 659 | E | A | -1.3910 | |
| 660 | S | A | 0.0000 | |
| 661 | L | A | -0.1854 | |
| 662 | W | A | 0.2942 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -0.7994 | |
| 665 | S | A | -1.6391 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5254 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.0962 | |
| 670 | A | A | -1.2501 | |
| 671 | A | A | -0.7616 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.7463 | |
| 675 | H | A | -0.9661 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.7135 | |
| 678 | S | A | -0.6013 | |
| 679 | V | A | -0.0632 | |
| 680 | L | A | -0.0474 | |
| 681 | A | A | -0.6251 | |
| 682 | Q | A | -0.8147 | |
| 683 | P | A | -0.1234 | |
| 684 | P | A | 0.1345 | |
| 685 | L | A | 0.4934 | |
| 686 | T | A | 0.0000 | |
| 687 | H | A | -0.1007 | |
| 688 | Q | A | -0.0577 | |
| 689 | V | A | 0.3091 | |
| 690 | M | A | 0.0000 | |
| 691 | Y | A | 0.3842 | |
| 692 | I | A | 0.0000 | |
| 693 | P | A | -0.2463 | |
| 694 | P | A | -0.6034 | |
| 695 | G | A | -0.5897 | |
| 696 | G | A | 0.0000 | |
| 697 | P | A | -0.1286 | |
| 698 | I | A | -0.0781 | |
| 699 | P | A | 0.0000 | |
| 700 | K | A | -1.8244 | |
| 701 | S | A | -1.1326 | |
| 702 | T | A | -0.5211 | |
| 703 | T | A | -0.8175 | |
| 704 | D | A | -1.0448 | |
| 705 | Y | A | -0.1675 | |
| 706 | A | A | 0.0000 | |
| 707 | W | A | 0.3204 | |
| 708 | Q | A | 0.0000 | |
| 709 | T | A | 0.0000 | |
| 710 | S | A | 0.0000 | |
| 711 | T | A | -0.4453 | |
| 712 | N | A | -0.9590 | |
| 713 | P | A | 0.0000 | |
| 714 | S | A | 0.1926 | |
| 715 | I | A | 0.9622 | |
| 716 | F | A | 1.2753 | |
| 717 | W | A | 0.0000 | |
| 718 | T | A | -0.5632 | |
| 719 | E | A | -1.2831 | |
| 720 | E | A | -0.8248 | |
| 721 | L | A | -0.0664 | |
| 722 | Q | A | 0.0000 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.3175 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -3.2030 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.7909 | |
| 730 | D | A | -1.8572 | |
| 731 | A | A | -1.1306 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -1.7366 | |
| 735 | E | A | -1.6307 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.6264 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | -0.3761 | |
| 741 | G | A | -0.2771 | |
| 742 | P | A | 0.1056 | |
| 743 | P | A | 0.4138 | |
| 744 | L | A | 1.4034 | |
| 745 | T | A | 0.4899 | |
| 746 | H | A | 0.1040 | |
| 747 | Q | A | 0.1171 | |
| 748 | V | A | 0.0000 | |
| 749 | M | A | 0.0000 | |
| 750 | Y | A | 0.3538 | |
| 751 | I | A | 0.0000 | |
| 752 | P | A | 0.0000 | |
| 753 | P | A | -0.6017 | |
| 754 | G | A | -0.6556 | |
| 755 | G | A | -0.3269 | |
| 756 | P | A | -0.2339 | |
| 757 | I | A | -0.0964 | |
| 758 | P | A | -0.8169 | |
| 759 | K | A | -1.8505 | |
| 760 | S | A | -1.1791 | |
| 761 | T | A | -0.3908 | |
| 762 | T | A | -0.7019 | |
| 763 | D | A | -1.1791 | |
| 764 | Y | A | -0.4310 | |
| 765 | A | A | 0.0000 | |
| 766 | W | A | 0.0000 | |
| 767 | Q | A | 0.0000 | |
| 768 | T | A | 0.0000 | |
| 769 | S | A | 0.0000 | |
| 770 | T | A | -0.4304 | |
| 771 | N | A | -0.9179 | |
| 772 | P | A | 0.0000 | |
| 773 | S | A | 0.0635 | |
| 774 | I | A | 0.0000 | |
| 775 | F | A | 1.2401 | |
| 776 | W | A | 0.0000 | |
| 777 | T | A | -0.5092 | |
| 778 | E | A | -1.2506 | |
| 779 | V | A | -0.5053 | |
| 780 | L | A | 0.0130 | |
| 781 | W | A | 0.1651 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | 0.0000 | |
| 784 | D | A | -3.0415 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -3.2924 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.8210 | |
| 789 | D | A | -0.8140 | |
| 790 | S | A | -0.8233 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.4860 | |
| 794 | S | A | -0.6390 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | 0.3317 | |
| 798 | T | A | 0.2541 | |
| 799 | L | A | 0.7365 | |
| 800 | L | A | 1.1163 | |
| 801 | A | A | 0.7216 | |
| 802 | P | A | 0.3486 | |
| 803 | P | A | 0.4822 | |
| 804 | L | A | 0.4909 | |
| 805 | T | A | 0.0000 | |
| 806 | H | A | -0.0330 | |
| 807 | Q | A | -0.1587 | |
| 808 | V | A | 0.0000 | |
| 809 | M | A | 0.0000 | |
| 810 | Y | A | 0.3914 | |
| 811 | I | A | 0.0000 | |
| 812 | P | A | -0.2449 | |
| 813 | P | A | -0.5988 | |
| 814 | G | A | -0.6379 | |
| 815 | G | A | 0.0000 | |
| 816 | P | A | -0.2640 | |
| 817 | I | A | -0.1895 | |
| 818 | P | A | 0.0000 | |
| 819 | K | A | -1.8701 | |
| 820 | S | A | -1.1714 | |
| 821 | T | A | -0.5963 | |
| 822 | T | A | -0.8768 | |
| 823 | D | A | -1.1341 | |
| 824 | Y | A | -0.2973 | |
| 825 | A | A | 0.0000 | |
| 826 | W | A | 0.3038 | |
| 827 | Q | A | 0.0000 | |
| 828 | T | A | 0.0000 | |
| 829 | S | A | 0.0000 | |
| 830 | T | A | -0.4241 | |
| 831 | N | A | -1.0409 | |
| 832 | P | A | 0.0000 | |
| 833 | S | A | 0.0620 | |
| 834 | I | A | 0.0000 | |
| 835 | F | A | 1.3643 | |
| 836 | W | A | 0.0000 | |
| 837 | T | A | -0.3286 | |
| 838 | E | A | -1.1524 | |
| 839 | E | A | -0.8637 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -1.8644 | |
| 845 | N | A | 0.0000 | |
| 846 | C | A | -0.2546 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.2284 | |
| 849 | D | A | -1.4051 | |
| 850 | A | A | -0.6397 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.6301 | |
| 854 | Q | A | -0.8462 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | 0.0000 | |
| 857 | E | A | -1.2516 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | -0.4279 | |
| 860 | R | A | -1.2118 | |
| 861 | P | A | -0.2544 | |
| 862 | P | A | 0.2307 | |
| 863 | L | A | 0.4044 | |
| 864 | T | A | 0.1719 | |
| 865 | H | A | -0.1292 | |
| 866 | Q | A | -0.0690 | |
| 867 | V | A | 0.0969 | |
| 868 | M | A | 0.0000 | |
| 869 | Y | A | 0.5165 | |
| 870 | I | A | 0.0000 | |
| 871 | P | A | -0.2466 | |
| 872 | P | A | -0.4964 | |
| 873 | G | A | -0.6574 | |
| 874 | G | A | -0.3954 | |
| 875 | P | A | -0.4131 | |
| 876 | I | A | -0.2528 | |
| 877 | P | A | -0.9028 | |
| 878 | K | A | -1.9109 | |
| 879 | S | A | -1.2365 | |
| 880 | T | A | -0.5501 | |
| 881 | T | A | -0.7672 | |
| 882 | D | A | -1.0139 | |
| 883 | Y | A | -0.1761 | |
| 884 | A | A | 0.0000 | |
| 885 | W | A | 0.4147 | |
| 886 | Q | A | 0.0000 | |
| 887 | T | A | 0.0000 | |
| 888 | S | A | 0.0000 | |
| 889 | T | A | -0.6534 | |
| 890 | N | A | -1.2492 | |
| 891 | P | A | 0.0000 | |
| 892 | S | A | 0.4721 | |
| 893 | I | A | 1.6125 | |
| 894 | F | A | 2.1371 | |
| 895 | W | A | 0.0000 | |
| 896 | T | A | -0.1542 | |
| 897 | E | A | -1.0793 | |
| 898 | Q | A | -0.8617 | |
| 899 | L | A | 0.0000 | |
| 900 | V | A | 0.1529 | |
| 901 | L | A | 0.0000 | |
| 902 | Y | A | 0.3397 | |
| 903 | D | A | -1.2820 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.6605 | |
| 906 | W | A | -0.5612 | |
| 907 | S | A | -1.9676 | |
| 908 | E | A | -3.5458 | |
| 909 | E | A | -3.9858 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.3185 | |
| 912 | D | A | -4.1974 | |
| 913 | R | A | -3.6318 | |
| 914 | L | A | 0.0000 | |
| 915 | Q | A | -3.0052 | |
| 916 | A | A | -2.8398 | |
| 917 | L | A | -2.8571 | |
| 918 | E | A | -3.8442 | |
| 919 | K | A | -3.6598 | |
| 920 | D | A | -2.9511 | |
| 921 | P | A | -1.8760 | |
| 922 | P | A | -0.5036 | |
| 923 | L | A | 1.0246 | |
| 924 | T | A | 0.4422 | |
| 925 | H | A | 0.3274 | |
| 926 | Q | A | -0.0234 | |
| 927 | V | A | 0.1699 | |
| 928 | M | A | 0.0000 | |
| 929 | Y | A | 0.3625 | |
| 930 | I | A | 0.0000 | |
| 931 | P | A | -0.0754 | |
| 932 | P | A | -0.5580 | |
| 933 | G | A | -0.5437 | |
| 934 | G | A | -0.0124 | |
| 935 | P | A | 0.1559 | |
| 936 | I | A | 0.6568 | |
| 937 | P | A | -0.2714 | |
| 938 | K | A | -1.6110 | |
| 939 | S | A | -0.9868 | |
| 940 | T | A | -0.2638 | |
| 941 | T | A | -0.1971 | |
| 942 | D | A | -0.3703 | |
| 943 | Y | A | 0.4341 | |
| 944 | A | A | 0.6186 | |
| 945 | W | A | 0.8726 | |
| 946 | Q | A | -0.0379 | |
| 947 | T | A | -0.2134 | |
| 948 | S | A | -0.5215 | |
| 949 | T | A | -0.8653 | |
| 950 | N | A | -1.5436 | |
| 951 | P | A | -0.7395 | |
| 952 | S | A | 0.5456 | |
| 953 | I | A | 2.0396 | |
| 954 | F | A | 2.9573 | |
| 955 | W | A | 1.4782 | |
| 956 | T | A | 0.0339 | |
| 957 | E | A | -1.3267 | |
| 958 | R | A | -1.7315 | |
| 959 | V | A | -0.6598 | |
| 960 | I | A | 0.1908 | |
| 961 | S | A | 0.0786 |
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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, -0.3635 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 | -0.3635 | View | CSV | PDB |
| model_0 | -0.4282 | View | CSV | PDB |
| model_1 | -0.4661 | View | CSV | PDB |
| model_3 | -0.4685 | View | CSV | PDB |
| model_5 | -0.47 | View | CSV | PDB |
| model_11 | -0.4727 | View | CSV | PDB |
| CABS_average | -0.4781 | View | CSV | PDB |
| model_7 | -0.4785 | View | CSV | PDB |
| model_2 | -0.479 | View | CSV | PDB |
| model_4 | -0.4833 | View | CSV | PDB |
| model_10 | -0.494 | View | CSV | PDB |
| model_6 | -0.4945 | View | CSV | PDB |
| model_9 | -0.4992 | View | CSV | PDB |
| model_8 | -0.5036 | 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