Project name: C25_E11_EF_E18_EF_INTERFACE_SAT
Status: done
Started: 2026-07-21 13:42:14
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEALKLESCGVTSDNCRDLCGIVASPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELALGSNKLGDVGMAELCPGLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRHPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTERVIS
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 (00:19:19)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:52:03)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:52:12)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:52:21)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:52:30)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:52:38)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:52:47)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:52:56)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:53:04)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:53:13)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:53:22)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:53:30)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:53:39)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:53:48)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:54:08)
[INFO] Main: Simulation completed successfully. (03:54:17)
|
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
- -4.0922
- Maximal score value
- 2.5147
- Average score
- -0.2988
- Total score value
- -287.1528
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 | 0.0702 | |
| 2 | L | A | 0.4982 | |
| 3 | D | A | -1.2509 | |
| 4 | I | A | -0.7207 | |
| 5 | Q | A | -1.3522 | |
| 6 | S | A | -1.3223 | |
| 7 | L | A | -0.8808 | |
| 8 | D | A | -1.8587 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -1.9817 | |
| 11 | C | A | -1.2175 | |
| 12 | E | A | -2.4845 | |
| 13 | E | A | -3.0551 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.1169 | |
| 16 | D | A | -2.5264 | |
| 17 | A | A | -1.6562 | |
| 18 | R | A | -2.1652 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5250 | |
| 21 | E | A | -2.1644 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.5104 | |
| 24 | P | A | -0.4371 | |
| 25 | L | A | 0.1871 | |
| 26 | L | A | 0.0592 | |
| 27 | Q | A | -0.2463 | |
| 28 | P | A | -0.0593 | |
| 29 | P | A | -0.4030 | |
| 30 | L | A | -0.5988 | |
| 31 | T | A | -0.4572 | |
| 32 | H | A | -0.5809 | |
| 33 | Q | A | -0.0439 | |
| 34 | V | A | 1.6672 | |
| 35 | M | A | 1.6388 | |
| 36 | Y | A | 1.9815 | |
| 37 | I | A | 1.5131 | |
| 38 | P | A | 0.5510 | |
| 39 | P | A | -0.2798 | |
| 40 | G | A | -0.3450 | |
| 41 | G | A | 0.3388 | |
| 42 | P | A | 0.4488 | |
| 43 | I | A | 1.4764 | |
| 44 | P | A | 0.1539 | |
| 45 | K | A | -1.3585 | |
| 46 | S | A | -0.8069 | |
| 47 | T | A | -0.7155 | |
| 48 | T | A | -0.4829 | |
| 49 | D | A | -0.2635 | |
| 50 | Y | A | 0.5984 | |
| 51 | A | A | 1.1927 | |
| 52 | W | A | 1.5725 | |
| 53 | Q | A | 1.1628 | |
| 54 | T | A | 1.0502 | |
| 55 | S | A | 0.2637 | |
| 56 | T | A | -0.7033 | |
| 57 | N | A | -1.5360 | |
| 58 | P | A | -0.2764 | |
| 59 | S | A | 0.1906 | |
| 60 | I | A | 1.1483 | |
| 61 | F | A | 2.1421 | |
| 62 | W | A | 0.8364 | |
| 63 | T | A | -0.3480 | |
| 64 | E | A | -1.5663 | |
| 65 | V | A | -1.0236 | |
| 66 | R | A | -1.5920 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | 0.0000 | |
| 69 | D | A | -2.3969 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -1.8232 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.3922 | |
| 74 | E | A | -1.7450 | |
| 75 | A | A | -1.2071 | |
| 76 | R | A | -1.5998 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.2774 | |
| 79 | D | A | -1.8228 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -1.1891 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | -0.6310 | |
| 85 | R | A | -1.4352 | |
| 86 | V | A | 0.2071 | |
| 87 | P | A | -0.1605 | |
| 88 | P | A | -0.0863 | |
| 89 | L | A | -0.0297 | |
| 90 | T | A | -0.2898 | |
| 91 | H | A | -0.6875 | |
| 92 | Q | A | -0.2120 | |
| 93 | V | A | 0.5327 | |
| 94 | M | A | 0.0000 | |
| 95 | Y | A | 1.0943 | |
| 96 | I | A | 1.0612 | |
| 97 | P | A | 0.3108 | |
| 98 | P | A | -0.3808 | |
| 99 | G | A | -0.3781 | |
| 100 | G | A | 0.2156 | |
| 101 | P | A | 0.4122 | |
| 102 | I | A | 1.5192 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.3322 | |
| 105 | S | A | -0.7758 | |
| 106 | T | A | -0.5533 | |
| 107 | T | A | -0.4974 | |
| 108 | D | A | -0.3659 | |
| 109 | Y | A | 0.1511 | |
| 110 | A | A | 0.8251 | |
| 111 | W | A | 1.3402 | |
| 112 | Q | A | 0.7487 | |
| 113 | T | A | 0.6337 | |
| 114 | S | A | -0.1252 | |
| 115 | T | A | -0.5422 | |
| 116 | N | A | -1.0537 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | 0.1357 | |
| 119 | I | A | 1.0652 | |
| 120 | F | A | 1.7461 | |
| 121 | W | A | 0.0000 | |
| 122 | T | A | -0.1101 | |
| 123 | E | A | -1.1539 | |
| 124 | E | A | -1.1681 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -1.1619 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.0805 | |
| 129 | S | A | -1.7708 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.4117 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.5041 | |
| 134 | D | A | 0.0210 | |
| 135 | V | A | 0.8045 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.3267 | |
| 139 | C | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.2249 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.4798 | |
| 145 | Q | A | -0.9978 | |
| 146 | P | A | -0.7898 | |
| 147 | P | A | -0.4241 | |
| 148 | L | A | -0.1565 | |
| 149 | T | A | -0.3045 | |
| 150 | H | A | -0.4572 | |
| 151 | Q | A | -0.1662 | |
| 152 | V | A | 0.3865 | |
| 153 | M | A | 0.0000 | |
| 154 | Y | A | 1.0233 | |
| 155 | I | A | 0.8571 | |
| 156 | P | A | 0.1831 | |
| 157 | P | A | -0.3885 | |
| 158 | G | A | -0.4167 | |
| 159 | G | A | 0.1123 | |
| 160 | P | A | 0.2990 | |
| 161 | I | A | 1.3220 | |
| 162 | P | A | -0.0369 | |
| 163 | K | A | -1.4059 | |
| 164 | S | A | -0.8655 | |
| 165 | T | A | -0.6063 | |
| 166 | T | A | -0.7244 | |
| 167 | D | A | -0.5462 | |
| 168 | Y | A | -0.0287 | |
| 169 | A | A | 0.5579 | |
| 170 | W | A | 1.1359 | |
| 171 | Q | A | 0.0000 | |
| 172 | T | A | 0.6651 | |
| 173 | S | A | 0.1023 | |
| 174 | T | A | -0.3483 | |
| 175 | N | A | -0.7195 | |
| 176 | P | A | 0.0000 | |
| 177 | S | A | 0.1951 | |
| 178 | I | A | 0.7309 | |
| 179 | F | A | 1.0457 | |
| 180 | W | A | 0.0000 | |
| 181 | T | A | -0.5174 | |
| 182 | E | A | -1.2259 | |
| 183 | K | A | -1.3256 | |
| 184 | L | A | -0.6574 | |
| 185 | S | A | -0.7901 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.2645 | |
| 188 | N | A | -1.6481 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.0461 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.5538 | |
| 193 | G | A | 0.1784 | |
| 194 | A | A | 0.3478 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.0991 | |
| 198 | V | A | 0.1084 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.6203 | |
| 202 | T | A | -0.6807 | |
| 203 | L | A | -0.5250 | |
| 204 | R | A | -1.7904 | |
| 205 | T | A | -1.0274 | |
| 206 | P | A | -0.7193 | |
| 207 | P | A | -0.4747 | |
| 208 | L | A | -0.1117 | |
| 209 | T | A | -0.3245 | |
| 210 | H | A | -0.4586 | |
| 211 | Q | A | -0.1847 | |
| 212 | V | A | 0.4052 | |
| 213 | M | A | 0.0000 | |
| 214 | Y | A | 1.0321 | |
| 215 | I | A | 0.7082 | |
| 216 | P | A | 0.1024 | |
| 217 | P | A | -0.4095 | |
| 218 | G | A | -0.4737 | |
| 219 | G | A | -0.0461 | |
| 220 | P | A | 0.0672 | |
| 221 | I | A | 0.8079 | |
| 222 | P | A | -0.2577 | |
| 223 | K | A | -1.5288 | |
| 224 | S | A | -0.9024 | |
| 225 | T | A | -0.6287 | |
| 226 | T | A | -0.7144 | |
| 227 | D | A | -0.5641 | |
| 228 | Y | A | -0.0068 | |
| 229 | A | A | 0.0000 | |
| 230 | W | A | 0.9347 | |
| 231 | Q | A | 0.0000 | |
| 232 | T | A | 0.5898 | |
| 233 | S | A | 0.1412 | |
| 234 | T | A | -0.4336 | |
| 235 | N | A | -0.7882 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | 0.1417 | |
| 238 | I | A | 0.6993 | |
| 239 | F | A | 1.0137 | |
| 240 | W | A | 0.0000 | |
| 241 | T | A | -0.5435 | |
| 242 | E | A | -1.1299 | |
| 243 | E | A | -1.1444 | |
| 244 | L | A | -0.5801 | |
| 245 | H | A | -0.8162 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.5395 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4908 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0639 | |
| 253 | D | A | -0.5211 | |
| 254 | A | A | -0.2883 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.9171 | |
| 258 | L | A | 0.0335 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.0283 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | -0.0373 | |
| 264 | L | A | -0.1414 | |
| 265 | P | A | -0.3140 | |
| 266 | P | A | -0.1997 | |
| 267 | L | A | -0.1780 | |
| 268 | T | A | -0.2271 | |
| 269 | H | A | -0.2277 | |
| 270 | Q | A | 0.0721 | |
| 271 | V | A | 0.7833 | |
| 272 | M | A | 0.0000 | |
| 273 | Y | A | 1.0436 | |
| 274 | I | A | 0.0000 | |
| 275 | P | A | 0.0041 | |
| 276 | P | A | -0.4850 | |
| 277 | G | A | -0.4945 | |
| 278 | G | A | -0.0431 | |
| 279 | P | A | 0.2559 | |
| 280 | I | A | 0.9467 | |
| 281 | P | A | -0.2602 | |
| 282 | K | A | -1.5090 | |
| 283 | S | A | -0.9288 | |
| 284 | T | A | -0.6291 | |
| 285 | T | A | -0.5826 | |
| 286 | D | A | -0.8421 | |
| 287 | Y | A | -0.2256 | |
| 288 | A | A | 0.2314 | |
| 289 | W | A | 1.0522 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.7774 | |
| 292 | S | A | 0.0000 | |
| 293 | T | A | -0.3953 | |
| 294 | N | A | -0.8619 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | 0.1442 | |
| 297 | I | A | 0.7034 | |
| 298 | F | A | 0.9763 | |
| 299 | W | A | 0.0000 | |
| 300 | T | A | -0.4383 | |
| 301 | E | A | -0.9936 | |
| 302 | K | A | -1.0520 | |
| 303 | L | A | -0.5200 | |
| 304 | Q | A | -0.5100 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.3108 | |
| 307 | Y | A | 0.5023 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.1179 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -1.0189 | |
| 312 | A | A | -1.2103 | |
| 313 | A | A | -0.6944 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.0644 | |
| 317 | P | A | -1.2508 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -0.9861 | |
| 321 | V | A | -0.3631 | |
| 322 | L | A | -0.8646 | |
| 323 | R | A | -1.7492 | |
| 324 | A | A | -0.7175 | |
| 325 | P | A | -0.7912 | |
| 326 | P | A | -0.2872 | |
| 327 | L | A | 0.0000 | |
| 328 | T | A | -0.3124 | |
| 329 | H | A | -0.2389 | |
| 330 | Q | A | 0.0000 | |
| 331 | V | A | 0.6817 | |
| 332 | M | A | 0.0000 | |
| 333 | Y | A | 1.2447 | |
| 334 | I | A | 0.7840 | |
| 335 | P | A | 0.0921 | |
| 336 | P | A | -0.4243 | |
| 337 | G | A | -0.4866 | |
| 338 | G | A | -0.0482 | |
| 339 | P | A | 0.0388 | |
| 340 | I | A | 0.7262 | |
| 341 | P | A | -0.3127 | |
| 342 | K | A | -1.5511 | |
| 343 | S | A | -0.9384 | |
| 344 | T | A | -0.5785 | |
| 345 | T | A | -0.6973 | |
| 346 | D | A | -0.6164 | |
| 347 | Y | A | -0.0072 | |
| 348 | A | A | 0.0000 | |
| 349 | W | A | 0.9932 | |
| 350 | Q | A | 0.0000 | |
| 351 | T | A | 0.6891 | |
| 352 | S | A | 0.0000 | |
| 353 | T | A | -0.3972 | |
| 354 | N | A | -0.8408 | |
| 355 | P | A | 0.0000 | |
| 356 | S | A | 0.1546 | |
| 357 | I | A | 0.7447 | |
| 358 | F | A | 1.0252 | |
| 359 | W | A | 0.0000 | |
| 360 | T | A | -0.3124 | |
| 361 | E | A | -0.7624 | |
| 362 | E | A | -0.8696 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.7342 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.1535 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.9256 | |
| 372 | E | A | -2.1755 | |
| 373 | A | A | -1.2243 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.5822 | |
| 377 | V | A | -1.4274 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.3689 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -1.1262 | |
| 383 | K | A | -2.2232 | |
| 384 | D | A | -2.7182 | |
| 385 | P | A | -1.4933 | |
| 386 | P | A | -1.1068 | |
| 387 | L | A | 0.0000 | |
| 388 | T | A | -0.5308 | |
| 389 | H | A | -0.2489 | |
| 390 | Q | A | 0.0000 | |
| 391 | V | A | 0.6844 | |
| 392 | M | A | 0.0000 | |
| 393 | Y | A | 1.0773 | |
| 394 | I | A | 0.0000 | |
| 395 | P | A | -0.0131 | |
| 396 | P | A | -0.4730 | |
| 397 | G | A | -0.5290 | |
| 398 | G | A | -0.1742 | |
| 399 | P | A | -0.0292 | |
| 400 | I | A | 0.6229 | |
| 401 | P | A | -0.3397 | |
| 402 | K | A | -1.5563 | |
| 403 | S | A | -0.9139 | |
| 404 | T | A | -0.5556 | |
| 405 | T | A | -0.4742 | |
| 406 | D | A | -0.6975 | |
| 407 | Y | A | -0.0026 | |
| 408 | A | A | 0.3027 | |
| 409 | W | A | 0.9603 | |
| 410 | Q | A | 0.6669 | |
| 411 | T | A | 0.5753 | |
| 412 | S | A | 0.0955 | |
| 413 | T | A | -0.4222 | |
| 414 | N | A | -0.8578 | |
| 415 | P | A | -0.2998 | |
| 416 | S | A | 0.1525 | |
| 417 | I | A | 0.7676 | |
| 418 | F | A | 1.0664 | |
| 419 | W | A | 0.0000 | |
| 420 | T | A | -0.3507 | |
| 421 | E | A | -0.8523 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | -0.4675 | |
| 424 | K | A | -0.6962 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.6835 | |
| 427 | S | A | -1.1829 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.6494 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.6167 | |
| 432 | S | A | -1.4877 | |
| 433 | D | A | -2.6545 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.9847 | |
| 437 | D | A | -2.5754 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.7065 | |
| 440 | G | A | -0.9178 | |
| 441 | I | A | -0.6094 | |
| 442 | V | A | 0.3431 | |
| 443 | A | A | 0.5422 | |
| 444 | S | A | -0.1164 | |
| 445 | P | A | 0.2190 | |
| 446 | P | A | -0.4367 | |
| 447 | L | A | -0.1228 | |
| 448 | T | A | -0.2766 | |
| 449 | H | A | -0.4513 | |
| 450 | Q | A | 0.0393 | |
| 451 | V | A | 0.5967 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 1.0418 | |
| 454 | I | A | 0.0000 | |
| 455 | P | A | -0.0206 | |
| 456 | P | A | -0.4893 | |
| 457 | G | A | -0.5566 | |
| 458 | G | A | -0.1228 | |
| 459 | P | A | -0.0815 | |
| 460 | I | A | 0.5657 | |
| 461 | P | A | -0.3606 | |
| 462 | K | A | -1.5570 | |
| 463 | S | A | -0.9187 | |
| 464 | T | A | -0.5871 | |
| 465 | T | A | -0.1462 | |
| 466 | D | A | -0.3054 | |
| 467 | Y | A | 0.1405 | |
| 468 | A | A | 0.6592 | |
| 469 | W | A | 1.0066 | |
| 470 | Q | A | 0.6821 | |
| 471 | T | A | 0.5692 | |
| 472 | S | A | 0.0274 | |
| 473 | T | A | -0.5345 | |
| 474 | N | A | -1.0969 | |
| 475 | P | A | -0.4087 | |
| 476 | S | A | 0.0840 | |
| 477 | I | A | 0.7595 | |
| 478 | F | A | 1.0334 | |
| 479 | W | A | 0.0000 | |
| 480 | T | A | -0.4637 | |
| 481 | E | A | -1.0019 | |
| 482 | E | A | -1.1305 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.2512 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.0437 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.9151 | |
| 492 | D | A | -0.3862 | |
| 493 | V | A | 0.7661 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.3601 | |
| 497 | E | A | -1.1137 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.6033 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.7279 | |
| 503 | L | A | 0.4955 | |
| 504 | P | A | 0.7484 | |
| 505 | V | A | 1.1804 | |
| 506 | L | A | 0.5654 | |
| 507 | T | A | -0.2826 | |
| 508 | H | A | -0.6627 | |
| 509 | Q | A | -0.2126 | |
| 510 | I | A | 0.5792 | |
| 511 | M | A | 0.0000 | |
| 512 | Y | A | 0.9290 | |
| 513 | V | A | 0.6075 | |
| 514 | P | A | 0.1364 | |
| 515 | P | A | -0.4179 | |
| 516 | G | A | -0.4798 | |
| 517 | G | A | -0.0943 | |
| 518 | P | A | 0.1651 | |
| 519 | I | A | 0.8848 | |
| 520 | P | A | 0.1367 | |
| 521 | A | A | -0.4529 | |
| 522 | K | A | -1.1673 | |
| 523 | V | A | 0.1697 | |
| 524 | D | A | -1.2434 | |
| 525 | S | A | 0.0000 | |
| 526 | Y | A | -0.0764 | |
| 527 | E | A | -0.1640 | |
| 528 | W | A | 0.6985 | |
| 529 | Q | A | 0.4410 | |
| 530 | T | A | 0.3985 | |
| 531 | S | A | -0.1102 | |
| 532 | T | A | -0.5658 | |
| 533 | N | A | -1.1324 | |
| 534 | P | A | -0.4475 | |
| 535 | S | A | 0.0764 | |
| 536 | V | A | 0.6560 | |
| 537 | F | A | 1.0117 | |
| 538 | W | A | 0.0000 | |
| 539 | T | A | -0.5967 | |
| 540 | E | A | -1.2360 | |
| 541 | T | A | -0.8271 | |
| 542 | L | A | -0.1693 | |
| 543 | W | A | 0.0678 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.6464 | |
| 546 | E | A | -2.3393 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.8684 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.6302 | |
| 551 | A | A | -1.8065 | |
| 552 | K | A | -2.0803 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | 0.0000 | |
| 556 | D | A | -1.6667 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.7601 | |
| 560 | V | A | 0.0000 | |
| 561 | L | A | -1.0327 | |
| 562 | R | A | -2.4255 | |
| 563 | H | A | -1.7669 | |
| 564 | P | A | -0.4637 | |
| 565 | V | A | 0.1919 | |
| 566 | L | A | 0.0061 | |
| 567 | T | A | -0.2767 | |
| 568 | H | A | -0.7186 | |
| 569 | Q | A | -0.1085 | |
| 570 | I | A | 0.4781 | |
| 571 | M | A | 0.0000 | |
| 572 | Y | A | 0.8222 | |
| 573 | V | A | 0.5292 | |
| 574 | P | A | 0.1387 | |
| 575 | P | A | -0.4052 | |
| 576 | G | A | -0.4860 | |
| 577 | G | A | -0.0210 | |
| 578 | P | A | 0.1491 | |
| 579 | I | A | 0.6878 | |
| 580 | P | A | -0.0244 | |
| 581 | A | A | -0.5480 | |
| 582 | K | A | -1.1417 | |
| 583 | V | A | -0.0102 | |
| 584 | D | A | -1.2147 | |
| 585 | S | A | -0.4746 | |
| 586 | Y | A | 0.1420 | |
| 587 | E | A | 0.0371 | |
| 588 | W | A | 0.7316 | |
| 589 | Q | A | 0.5706 | |
| 590 | T | A | 0.5353 | |
| 591 | S | A | -0.0300 | |
| 592 | T | A | -0.4624 | |
| 593 | N | A | -0.8967 | |
| 594 | P | A | -0.3458 | |
| 595 | S | A | 0.0721 | |
| 596 | V | A | 0.6901 | |
| 597 | F | A | 0.9806 | |
| 598 | W | A | 0.0000 | |
| 599 | T | A | -0.5218 | |
| 600 | E | A | -1.1476 | |
| 601 | E | A | -0.8856 | |
| 602 | L | A | -0.0719 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.9295 | |
| 606 | G | A | -1.5770 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.5289 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4002 | |
| 611 | D | A | -1.5105 | |
| 612 | E | A | -1.8282 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.5036 | |
| 616 | L | A | -1.3570 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -1.4360 | |
| 620 | T | A | -0.8655 | |
| 621 | L | A | 0.3610 | |
| 622 | L | A | 0.6232 | |
| 623 | P | A | 0.8386 | |
| 624 | V | A | 1.5964 | |
| 625 | L | A | 1.0082 | |
| 626 | T | A | -0.0046 | |
| 627 | H | A | -0.2666 | |
| 628 | Q | A | -0.0166 | |
| 629 | I | A | 0.6943 | |
| 630 | M | A | 0.0000 | |
| 631 | Y | A | 0.7826 | |
| 632 | V | A | 0.4441 | |
| 633 | P | A | 0.0654 | |
| 634 | P | A | -0.4241 | |
| 635 | G | A | -0.5084 | |
| 636 | G | A | -0.0843 | |
| 637 | P | A | 0.0574 | |
| 638 | I | A | 0.5581 | |
| 639 | P | A | -0.1205 | |
| 640 | A | A | -0.5856 | |
| 641 | K | A | -1.2546 | |
| 642 | V | A | -0.1107 | |
| 643 | D | A | -1.3170 | |
| 644 | S | A | -0.7548 | |
| 645 | Y | A | -0.3212 | |
| 646 | E | A | -0.3121 | |
| 647 | W | A | 0.5573 | |
| 648 | Q | A | 0.4800 | |
| 649 | T | A | 0.5105 | |
| 650 | S | A | 0.0404 | |
| 651 | T | A | -0.4148 | |
| 652 | N | A | -0.8329 | |
| 653 | P | A | -0.3299 | |
| 654 | S | A | -0.0323 | |
| 655 | V | A | 0.0000 | |
| 656 | F | A | 0.8743 | |
| 657 | W | A | 0.0000 | |
| 658 | T | A | -0.4014 | |
| 659 | E | A | -0.9000 | |
| 660 | S | A | -0.6299 | |
| 661 | L | A | -0.2152 | |
| 662 | W | A | 0.0988 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -1.0941 | |
| 665 | S | A | -1.7346 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5417 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.0836 | |
| 670 | A | A | -1.1177 | |
| 671 | A | A | -0.6308 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.8169 | |
| 675 | H | A | -0.9596 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.7510 | |
| 678 | S | A | -0.5326 | |
| 679 | V | A | 0.0128 | |
| 680 | L | A | 0.0100 | |
| 681 | A | A | -0.3408 | |
| 682 | Q | A | -0.3150 | |
| 683 | P | A | -0.2872 | |
| 684 | V | A | 0.3964 | |
| 685 | L | A | -0.0412 | |
| 686 | T | A | -0.4537 | |
| 687 | H | A | -0.4380 | |
| 688 | Q | A | 0.0377 | |
| 689 | I | A | 0.4041 | |
| 690 | M | A | 0.0000 | |
| 691 | Y | A | 0.8787 | |
| 692 | V | A | 0.3776 | |
| 693 | P | A | 0.0160 | |
| 694 | P | A | -0.4292 | |
| 695 | G | A | -0.5568 | |
| 696 | G | A | -0.2032 | |
| 697 | P | A | -0.0942 | |
| 698 | I | A | 0.1687 | |
| 699 | P | A | -0.2867 | |
| 700 | A | A | -0.6633 | |
| 701 | K | A | -1.2923 | |
| 702 | V | A | -0.0819 | |
| 703 | D | A | -1.0810 | |
| 704 | S | A | -0.7314 | |
| 705 | Y | A | -0.3430 | |
| 706 | E | A | -0.2205 | |
| 707 | W | A | 0.5643 | |
| 708 | Q | A | 0.0000 | |
| 709 | T | A | 0.4312 | |
| 710 | S | A | 0.0000 | |
| 711 | T | A | -0.4071 | |
| 712 | N | A | -0.8089 | |
| 713 | P | A | 0.0000 | |
| 714 | S | A | -0.0119 | |
| 715 | V | A | 0.0000 | |
| 716 | F | A | 0.9322 | |
| 717 | W | A | 0.0000 | |
| 718 | T | A | -0.2036 | |
| 719 | E | A | -0.6642 | |
| 720 | E | A | -0.6590 | |
| 721 | L | A | 0.0000 | |
| 722 | Q | A | -0.1682 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.4035 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -3.1765 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.8263 | |
| 730 | D | A | -2.0648 | |
| 731 | A | A | -1.1067 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -2.1513 | |
| 735 | E | A | -1.8761 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.7519 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | -0.2211 | |
| 741 | G | A | -0.4110 | |
| 742 | P | A | -0.2196 | |
| 743 | V | A | 0.1152 | |
| 744 | L | A | 0.0163 | |
| 745 | T | A | -0.3692 | |
| 746 | H | A | -0.2804 | |
| 747 | Q | A | -0.0262 | |
| 748 | I | A | 0.5352 | |
| 749 | M | A | 0.0000 | |
| 750 | Y | A | 0.7190 | |
| 751 | V | A | 0.2304 | |
| 752 | P | A | -0.0476 | |
| 753 | P | A | -0.4746 | |
| 754 | G | A | -0.5795 | |
| 755 | G | A | -0.3746 | |
| 756 | P | A | -0.1303 | |
| 757 | I | A | 0.1459 | |
| 758 | P | A | -0.3870 | |
| 759 | A | A | -0.7187 | |
| 760 | K | A | -1.4655 | |
| 761 | V | A | -0.4514 | |
| 762 | D | A | -1.3821 | |
| 763 | S | A | -0.9451 | |
| 764 | Y | A | -0.2081 | |
| 765 | E | A | -0.2714 | |
| 766 | W | A | 0.4646 | |
| 767 | Q | A | 0.0000 | |
| 768 | T | A | 0.4381 | |
| 769 | S | A | 0.0000 | |
| 770 | T | A | -0.4277 | |
| 771 | N | A | -0.8044 | |
| 772 | P | A | 0.0000 | |
| 773 | S | A | 0.0908 | |
| 774 | V | A | 0.6365 | |
| 775 | F | A | 1.1747 | |
| 776 | W | A | 0.0000 | |
| 777 | T | A | -0.1175 | |
| 778 | E | A | -0.5979 | |
| 779 | V | A | -0.2867 | |
| 780 | L | A | 0.1067 | |
| 781 | W | A | 0.0861 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | -1.2667 | |
| 784 | D | A | -2.9800 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -3.2555 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.8857 | |
| 789 | D | A | -0.8595 | |
| 790 | S | A | -0.9111 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.5184 | |
| 794 | S | A | -0.7448 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | 0.2003 | |
| 798 | T | A | 0.0867 | |
| 799 | L | A | 0.9010 | |
| 800 | L | A | 1.1433 | |
| 801 | A | A | 0.6278 | |
| 802 | P | A | 0.4133 | |
| 803 | V | A | 0.1782 | |
| 804 | L | A | 0.0000 | |
| 805 | T | A | -0.3532 | |
| 806 | H | A | -0.2482 | |
| 807 | Q | A | 0.0077 | |
| 808 | I | A | 0.5346 | |
| 809 | M | A | 0.0000 | |
| 810 | Y | A | 0.6985 | |
| 811 | V | A | 0.2074 | |
| 812 | P | A | -0.0529 | |
| 813 | P | A | -0.4810 | |
| 814 | G | A | -0.5918 | |
| 815 | G | A | -0.2494 | |
| 816 | P | A | -0.1852 | |
| 817 | I | A | 0.1648 | |
| 818 | P | A | -0.3131 | |
| 819 | A | A | -0.6548 | |
| 820 | K | A | -1.3305 | |
| 821 | V | A | -0.1926 | |
| 822 | D | A | -1.2653 | |
| 823 | S | A | -0.7241 | |
| 824 | Y | A | -0.2289 | |
| 825 | E | A | -0.1595 | |
| 826 | W | A | 0.5164 | |
| 827 | Q | A | 0.4624 | |
| 828 | T | A | 0.3960 | |
| 829 | S | A | -0.1294 | |
| 830 | T | A | -0.5869 | |
| 831 | N | A | -1.0247 | |
| 832 | P | A | 0.0000 | |
| 833 | S | A | 0.0589 | |
| 834 | V | A | 0.0000 | |
| 835 | F | A | 1.2429 | |
| 836 | W | A | 0.0000 | |
| 837 | T | A | -0.1262 | |
| 838 | E | A | -0.6264 | |
| 839 | E | A | -0.5909 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -1.4395 | |
| 845 | N | A | 0.0000 | |
| 846 | C | A | -0.2967 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.1256 | |
| 849 | D | A | -1.1583 | |
| 850 | A | A | -0.5301 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.7890 | |
| 854 | Q | A | -1.1666 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | 0.0000 | |
| 857 | E | A | -1.7886 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | -0.1841 | |
| 860 | R | A | 0.0483 | |
| 861 | P | A | 0.9345 | |
| 862 | V | A | 1.9745 | |
| 863 | L | A | 0.9460 | |
| 864 | T | A | 0.2100 | |
| 865 | H | A | -0.2746 | |
| 866 | Q | A | 0.0000 | |
| 867 | I | A | 0.6266 | |
| 868 | M | A | 0.0000 | |
| 869 | Y | A | 0.6467 | |
| 870 | V | A | 0.2500 | |
| 871 | P | A | -0.0514 | |
| 872 | P | A | -0.4772 | |
| 873 | G | A | -0.5820 | |
| 874 | G | A | -0.2912 | |
| 875 | P | A | -0.0903 | |
| 876 | I | A | 0.1988 | |
| 877 | P | A | -0.2251 | |
| 878 | A | A | -0.6077 | |
| 879 | K | A | -1.2690 | |
| 880 | V | A | -0.0831 | |
| 881 | D | A | -1.0692 | |
| 882 | S | A | -0.5154 | |
| 883 | Y | A | 0.3835 | |
| 884 | E | A | 0.1340 | |
| 885 | W | A | 0.6230 | |
| 886 | Q | A | 0.5041 | |
| 887 | T | A | 0.3918 | |
| 888 | S | A | -0.2351 | |
| 889 | T | A | -0.8440 | |
| 890 | N | A | -1.2890 | |
| 891 | P | A | -0.5597 | |
| 892 | S | A | 0.2375 | |
| 893 | V | A | 1.0972 | |
| 894 | F | A | 1.7092 | |
| 895 | W | A | 0.0000 | |
| 896 | T | A | -0.2927 | |
| 897 | E | A | -1.1803 | |
| 898 | Q | A | -1.1746 | |
| 899 | L | A | 0.0000 | |
| 900 | V | A | 0.1617 | |
| 901 | L | A | 0.0000 | |
| 902 | Y | A | 0.7973 | |
| 903 | D | A | -0.7313 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.8289 | |
| 906 | W | A | -0.4604 | |
| 907 | S | A | -1.9095 | |
| 908 | E | A | -3.4928 | |
| 909 | E | A | -3.8836 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.2465 | |
| 912 | D | A | -4.0922 | |
| 913 | R | A | -3.3110 | |
| 914 | L | A | 0.0000 | |
| 915 | Q | A | -3.0108 | |
| 916 | A | A | -2.7603 | |
| 917 | L | A | -2.6548 | |
| 918 | E | A | -3.8332 | |
| 919 | K | A | -3.5375 | |
| 920 | D | A | -2.8759 | |
| 921 | P | A | -1.2873 | |
| 922 | V | A | 0.1361 | |
| 923 | L | A | 0.2825 | |
| 924 | T | A | -0.1022 | |
| 925 | H | A | -0.8259 | |
| 926 | Q | A | -0.1399 | |
| 927 | I | A | 0.4171 | |
| 928 | M | A | 0.0000 | |
| 929 | Y | A | 0.2608 | |
| 930 | V | A | 0.1639 | |
| 931 | P | A | 0.1332 | |
| 932 | P | A | -0.4607 | |
| 933 | G | A | -0.4667 | |
| 934 | G | A | 0.0230 | |
| 935 | P | A | 0.1581 | |
| 936 | I | A | 0.9216 | |
| 937 | P | A | 0.0884 | |
| 938 | A | A | -0.3047 | |
| 939 | K | A | -1.0543 | |
| 940 | V | A | 0.0816 | |
| 941 | D | A | -1.5199 | |
| 942 | S | A | -0.7729 | |
| 943 | Y | A | -0.1922 | |
| 944 | E | A | -1.3405 | |
| 945 | W | A | -0.3058 | |
| 946 | Q | A | -0.8155 | |
| 947 | T | A | -0.5215 | |
| 948 | S | A | -0.6418 | |
| 949 | T | A | -0.8831 | |
| 950 | N | A | -1.5404 | |
| 951 | P | A | -0.5212 | |
| 952 | S | A | 0.3059 | |
| 953 | V | A | 1.4482 | |
| 954 | F | A | 2.5147 | |
| 955 | W | A | 1.1511 | |
| 956 | T | A | -0.2999 | |
| 957 | E | A | -1.8350 | |
| 958 | R | A | -2.2515 | |
| 959 | V | A | -0.7426 | |
| 960 | I | A | 0.3243 | |
| 961 | S | A | 0.3211 |
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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, -0.2988 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 | -0.2988 | View | CSV | PDB |
| model_7 | -0.4349 | View | CSV | PDB |
| model_5 | -0.4424 | View | CSV | PDB |
| model_3 | -0.4425 | View | CSV | PDB |
| model_1 | -0.4595 | View | CSV | PDB |
| model_10 | -0.4631 | View | CSV | PDB |
| CABS_average | -0.4757 | View | CSV | PDB |
| model_2 | -0.477 | View | CSV | PDB |
| model_9 | -0.4772 | View | CSV | PDB |
| model_11 | -0.4866 | View | CSV | PDB |
| model_4 | -0.4878 | View | CSV | PDB |
| model_6 | -0.5078 | View | CSV | PDB |
| model_0 | -0.5145 | View | CSV | PDB |
| model_8 | -0.5147 | 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