Project name: C25_E11_EF_E18_EF_INTERFACE_SAT_corrected26
Status: done
Started: 2026-07-22 05:53:55
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEVRLDDCGLTEARCKDISSALRVPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELNLRSNELGDVGVHCVLQGLQPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLSLQNCCLTGAGCGVLSSTLRTPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELHLSDNLLGDAGLQLLCEGLLPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEKLQLEYCSLSAASCEPLASVLRAPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELTVSNNDINEAGVRVLCQGLKDPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEALKLESCGVTSDNCRDLCGIVASPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEELALGSNKLGDVGMAELCPGLRPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRHPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTERVIS
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 (00:18:06)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (04:22:34)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (04:22:42)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (04:22:51)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (04:23:00)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (04:23:08)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (04:23:17)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (04:23:25)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (04:23:34)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (04:23:42)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (04:23:51)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (04:24:00)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (04:24:08)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (04:24:17)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (04:24:37)
[INFO] Main: Simulation completed successfully. (04:24:46)
|
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
- -4.257
- Maximal score value
- 3.838
- Average score
- -0.2919
- Total score value
- -280.5586
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 | -0.0261 | |
| 2 | L | A | 0.5427 | |
| 3 | D | A | -1.3964 | |
| 4 | I | A | -0.7059 | |
| 5 | Q | A | -1.3991 | |
| 6 | S | A | -1.0154 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -1.5140 | |
| 9 | I | A | -1.4121 | |
| 10 | Q | A | -2.0170 | |
| 11 | C | A | -1.2101 | |
| 12 | E | A | -2.0794 | |
| 13 | E | A | -2.9510 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.1774 | |
| 16 | D | A | -2.6125 | |
| 17 | A | A | -1.7687 | |
| 18 | R | A | -2.3973 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4812 | |
| 21 | E | A | -2.1981 | |
| 22 | L | A | -0.9120 | |
| 23 | L | A | -0.3795 | |
| 24 | P | A | -0.3133 | |
| 25 | L | A | 0.2072 | |
| 26 | L | A | 0.0899 | |
| 27 | Q | A | 0.1754 | |
| 28 | P | A | 0.1254 | |
| 29 | P | A | -0.3071 | |
| 30 | L | A | 0.3303 | |
| 31 | T | A | -0.5216 | |
| 32 | H | A | -0.6986 | |
| 33 | Q | A | 0.4847 | |
| 34 | V | A | 1.6906 | |
| 35 | M | A | 1.1880 | |
| 36 | Y | A | 1.0379 | |
| 37 | I | A | 1.1311 | |
| 38 | P | A | 0.1785 | |
| 39 | P | A | -0.4362 | |
| 40 | G | A | -0.4053 | |
| 41 | G | A | 0.1400 | |
| 42 | P | A | 0.4184 | |
| 43 | I | A | 1.4050 | |
| 44 | P | A | 0.0251 | |
| 45 | K | A | -1.4018 | |
| 46 | S | A | -0.8638 | |
| 47 | T | A | -0.6051 | |
| 48 | T | A | -0.6504 | |
| 49 | D | A | -0.3668 | |
| 50 | Y | A | 0.2570 | |
| 51 | A | A | 0.7096 | |
| 52 | W | A | 0.8686 | |
| 53 | Q | A | 0.2481 | |
| 54 | T | A | -0.1251 | |
| 55 | S | A | -0.4872 | |
| 56 | T | A | -0.5576 | |
| 57 | N | A | -0.7174 | |
| 58 | P | A | -0.2733 | |
| 59 | S | A | 0.7815 | |
| 60 | I | A | 2.2659 | |
| 61 | F | A | 1.7706 | |
| 62 | W | A | 0.8638 | |
| 63 | T | A | -0.2051 | |
| 64 | E | A | -0.9218 | |
| 65 | V | A | -0.6919 | |
| 66 | R | A | -1.3016 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -2.0133 | |
| 69 | D | A | -2.6266 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -2.0174 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.6233 | |
| 74 | E | A | -2.1573 | |
| 75 | A | A | -1.2432 | |
| 76 | R | A | -1.7382 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.3739 | |
| 79 | D | A | -1.8043 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -1.1542 | |
| 83 | A | A | -0.4926 | |
| 84 | L | A | -0.4920 | |
| 85 | R | A | -1.2693 | |
| 86 | V | A | -0.1014 | |
| 87 | P | A | -0.1990 | |
| 88 | P | A | 0.1798 | |
| 89 | L | A | 0.2688 | |
| 90 | T | A | -0.0556 | |
| 91 | H | A | -0.1519 | |
| 92 | Q | A | 0.1826 | |
| 93 | V | A | 0.5871 | |
| 94 | M | A | 0.4914 | |
| 95 | Y | A | 0.3908 | |
| 96 | I | A | 0.6459 | |
| 97 | P | A | -0.0152 | |
| 98 | P | A | -0.4778 | |
| 99 | G | A | -0.4264 | |
| 100 | G | A | 0.0476 | |
| 101 | P | A | 0.3779 | |
| 102 | I | A | 1.3705 | |
| 103 | P | A | -0.0123 | |
| 104 | K | A | -1.4063 | |
| 105 | S | A | -0.8743 | |
| 106 | T | A | -0.6198 | |
| 107 | T | A | -0.5642 | |
| 108 | D | A | -0.4337 | |
| 109 | Y | A | 0.1408 | |
| 110 | A | A | 0.6748 | |
| 111 | W | A | 0.8988 | |
| 112 | Q | A | 0.2853 | |
| 113 | T | A | -0.0633 | |
| 114 | S | A | -0.2853 | |
| 115 | T | A | -0.3126 | |
| 116 | N | A | -0.4542 | |
| 117 | P | A | -0.2580 | |
| 118 | S | A | 0.5073 | |
| 119 | I | A | 1.3202 | |
| 120 | F | A | 1.4786 | |
| 121 | W | A | 0.9906 | |
| 122 | T | A | -0.3163 | |
| 123 | E | A | -1.2323 | |
| 124 | E | A | -1.3029 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -1.8149 | |
| 129 | S | A | -1.8396 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.5686 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.7812 | |
| 134 | D | A | -0.3309 | |
| 135 | V | A | 0.3264 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.5320 | |
| 139 | C | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.1389 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | -0.3920 | |
| 145 | Q | A | -1.0640 | |
| 146 | P | A | -0.8409 | |
| 147 | P | A | -0.2611 | |
| 148 | L | A | -0.2016 | |
| 149 | T | A | -0.5823 | |
| 150 | H | A | -0.2152 | |
| 151 | Q | A | 0.0377 | |
| 152 | V | A | 0.6162 | |
| 153 | M | A | 0.4798 | |
| 154 | Y | A | 0.2801 | |
| 155 | I | A | 0.5775 | |
| 156 | P | A | -0.0351 | |
| 157 | P | A | -0.5046 | |
| 158 | G | A | -0.4538 | |
| 159 | G | A | -0.0407 | |
| 160 | P | A | 0.3228 | |
| 161 | I | A | 1.3835 | |
| 162 | P | A | -0.0262 | |
| 163 | K | A | -1.3956 | |
| 164 | S | A | -0.8522 | |
| 165 | T | A | -0.5993 | |
| 166 | T | A | -0.5818 | |
| 167 | D | A | -0.4536 | |
| 168 | Y | A | -0.0774 | |
| 169 | A | A | 0.7902 | |
| 170 | W | A | 0.7927 | |
| 171 | Q | A | 0.1570 | |
| 172 | T | A | -0.1406 | |
| 173 | S | A | -0.3127 | |
| 174 | T | A | -0.3285 | |
| 175 | N | A | -0.3669 | |
| 176 | P | A | -0.1652 | |
| 177 | S | A | 0.4140 | |
| 178 | I | A | 1.3350 | |
| 179 | F | A | 1.3572 | |
| 180 | W | A | 0.6667 | |
| 181 | T | A | -0.6092 | |
| 182 | E | A | -1.7275 | |
| 183 | K | A | -1.9957 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.0234 | |
| 188 | N | A | -1.4963 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.2755 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.4875 | |
| 193 | G | A | 0.1406 | |
| 194 | A | A | 0.3113 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.1439 | |
| 198 | V | A | 0.1600 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | -0.4229 | |
| 201 | S | A | -0.6438 | |
| 202 | T | A | -0.6527 | |
| 203 | L | A | -0.5658 | |
| 204 | R | A | -1.7142 | |
| 205 | T | A | -0.9562 | |
| 206 | P | A | -0.6246 | |
| 207 | P | A | -0.3536 | |
| 208 | L | A | 0.0124 | |
| 209 | T | A | -0.3678 | |
| 210 | H | A | -0.4084 | |
| 211 | Q | A | -0.1434 | |
| 212 | V | A | 0.1821 | |
| 213 | M | A | 0.0000 | |
| 214 | Y | A | 0.1132 | |
| 215 | I | A | 0.0000 | |
| 216 | P | A | -0.1337 | |
| 217 | P | A | -0.5766 | |
| 218 | G | A | -0.4877 | |
| 219 | G | A | -0.0736 | |
| 220 | P | A | 0.2868 | |
| 221 | I | A | 1.3362 | |
| 222 | P | A | -0.0645 | |
| 223 | K | A | -1.4020 | |
| 224 | S | A | -0.8779 | |
| 225 | T | A | -0.6557 | |
| 226 | T | A | -0.5867 | |
| 227 | D | A | -0.4040 | |
| 228 | Y | A | -0.0509 | |
| 229 | A | A | 0.7602 | |
| 230 | W | A | 0.7729 | |
| 231 | Q | A | 0.0000 | |
| 232 | T | A | -0.0544 | |
| 233 | S | A | -0.1929 | |
| 234 | T | A | -0.2412 | |
| 235 | N | A | -0.2795 | |
| 236 | P | A | 0.0362 | |
| 237 | S | A | 0.5241 | |
| 238 | I | A | 1.5923 | |
| 239 | F | A | 1.4365 | |
| 240 | W | A | 0.4900 | |
| 241 | T | A | -0.5734 | |
| 242 | E | A | -1.4812 | |
| 243 | E | A | -1.6610 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -0.8054 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.4383 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.4484 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0456 | |
| 253 | D | A | -0.5768 | |
| 254 | A | A | -0.3372 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -1.0718 | |
| 258 | L | A | -0.1771 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -1.3021 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.1197 | |
| 264 | L | A | 0.2554 | |
| 265 | P | A | 0.0731 | |
| 266 | P | A | -0.1201 | |
| 267 | L | A | 0.0108 | |
| 268 | T | A | -0.4512 | |
| 269 | H | A | -0.4087 | |
| 270 | Q | A | -0.1874 | |
| 271 | V | A | 0.1747 | |
| 272 | M | A | 0.0000 | |
| 273 | Y | A | 0.1578 | |
| 274 | I | A | 0.0000 | |
| 275 | P | A | -0.1802 | |
| 276 | P | A | -0.5681 | |
| 277 | G | A | -0.5480 | |
| 278 | G | A | -0.2082 | |
| 279 | P | A | 0.0810 | |
| 280 | I | A | 0.9332 | |
| 281 | P | A | -0.2492 | |
| 282 | K | A | -1.5020 | |
| 283 | S | A | -0.9184 | |
| 284 | T | A | -0.6546 | |
| 285 | T | A | -0.6467 | |
| 286 | D | A | -0.5549 | |
| 287 | Y | A | -0.2148 | |
| 288 | A | A | 0.6381 | |
| 289 | W | A | 0.7341 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.1004 | |
| 292 | S | A | -0.0784 | |
| 293 | T | A | -0.1496 | |
| 294 | N | A | 0.0000 | |
| 295 | P | A | 0.1484 | |
| 296 | S | A | 0.4702 | |
| 297 | I | A | 1.1602 | |
| 298 | F | A | 1.1401 | |
| 299 | W | A | 0.4998 | |
| 300 | T | A | -0.5884 | |
| 301 | E | A | -1.7958 | |
| 302 | K | A | -1.4863 | |
| 303 | L | A | -0.6870 | |
| 304 | Q | A | -0.3747 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.1435 | |
| 307 | Y | A | 0.5994 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.0993 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9690 | |
| 312 | A | A | -1.2299 | |
| 313 | A | A | -0.6023 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -1.9143 | |
| 317 | P | A | -1.3880 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -1.2636 | |
| 321 | V | A | -0.5246 | |
| 322 | L | A | -1.1337 | |
| 323 | R | A | -2.2600 | |
| 324 | A | A | -0.8017 | |
| 325 | P | A | -0.4326 | |
| 326 | P | A | 0.1415 | |
| 327 | L | A | 0.2411 | |
| 328 | T | A | -0.0586 | |
| 329 | H | A | -0.2573 | |
| 330 | Q | A | -0.1075 | |
| 331 | V | A | 0.1978 | |
| 332 | M | A | 0.0000 | |
| 333 | Y | A | 0.3259 | |
| 334 | I | A | 0.5735 | |
| 335 | P | A | -0.0400 | |
| 336 | P | A | -0.5229 | |
| 337 | G | A | -0.4373 | |
| 338 | G | A | -0.0327 | |
| 339 | P | A | 0.3573 | |
| 340 | I | A | 1.3760 | |
| 341 | P | A | -0.0673 | |
| 342 | K | A | -1.4102 | |
| 343 | S | A | -0.8901 | |
| 344 | T | A | -0.6603 | |
| 345 | T | A | -0.6300 | |
| 346 | D | A | -0.5043 | |
| 347 | Y | A | -0.2002 | |
| 348 | A | A | 0.4815 | |
| 349 | W | A | 0.7673 | |
| 350 | Q | A | 0.0000 | |
| 351 | T | A | 0.0000 | |
| 352 | S | A | -0.1520 | |
| 353 | T | A | -0.1437 | |
| 354 | N | A | 0.0000 | |
| 355 | P | A | 0.0182 | |
| 356 | S | A | 0.2705 | |
| 357 | I | A | 0.9076 | |
| 358 | F | A | 1.0330 | |
| 359 | W | A | 0.5076 | |
| 360 | T | A | -0.3670 | |
| 361 | E | A | -1.1318 | |
| 362 | E | A | -1.3439 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.5930 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.0980 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.9889 | |
| 372 | E | A | -2.5865 | |
| 373 | A | A | -1.3121 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.8530 | |
| 377 | V | A | -1.6483 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.4815 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -1.2484 | |
| 383 | K | A | -1.9493 | |
| 384 | D | A | -2.1558 | |
| 385 | P | A | -1.1705 | |
| 386 | P | A | -0.8500 | |
| 387 | L | A | -0.3111 | |
| 388 | T | A | -0.5572 | |
| 389 | H | A | -0.2158 | |
| 390 | Q | A | -0.0799 | |
| 391 | V | A | 0.2156 | |
| 392 | M | A | 0.0000 | |
| 393 | Y | A | 0.1611 | |
| 394 | I | A | 0.0000 | |
| 395 | P | A | -0.2012 | |
| 396 | P | A | -0.6268 | |
| 397 | G | A | -0.4872 | |
| 398 | G | A | -0.1273 | |
| 399 | P | A | 0.2720 | |
| 400 | I | A | 1.3177 | |
| 401 | P | A | -0.0666 | |
| 402 | K | A | -1.3834 | |
| 403 | S | A | -0.8618 | |
| 404 | T | A | -0.6387 | |
| 405 | T | A | -0.5897 | |
| 406 | D | A | -0.4245 | |
| 407 | Y | A | -0.2145 | |
| 408 | A | A | 0.7108 | |
| 409 | W | A | 0.6197 | |
| 410 | Q | A | 0.0959 | |
| 411 | T | A | -0.0399 | |
| 412 | S | A | -0.1232 | |
| 413 | T | A | -0.1859 | |
| 414 | N | A | 0.0000 | |
| 415 | P | A | 0.0585 | |
| 416 | S | A | 0.3270 | |
| 417 | I | A | 1.2584 | |
| 418 | F | A | 1.1946 | |
| 419 | W | A | 0.8262 | |
| 420 | T | A | -0.2171 | |
| 421 | E | A | -1.0040 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | K | A | -0.8878 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.6669 | |
| 427 | S | A | -1.0768 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.6026 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | -1.6777 | |
| 432 | S | A | -1.5566 | |
| 433 | D | A | -2.8988 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.9080 | |
| 437 | D | A | -2.3080 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.9752 | |
| 440 | G | A | -0.9035 | |
| 441 | I | A | -0.5845 | |
| 442 | V | A | -0.3545 | |
| 443 | A | A | -0.2011 | |
| 444 | S | A | -0.0756 | |
| 445 | P | A | -0.0610 | |
| 446 | P | A | -0.1560 | |
| 447 | L | A | -0.1703 | |
| 448 | T | A | -0.3470 | |
| 449 | H | A | -0.3192 | |
| 450 | Q | A | -0.2566 | |
| 451 | V | A | 0.0720 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 0.1656 | |
| 454 | I | A | 0.0000 | |
| 455 | P | A | -0.1578 | |
| 456 | P | A | -0.5803 | |
| 457 | G | A | -0.4788 | |
| 458 | G | A | -0.0721 | |
| 459 | P | A | 0.3341 | |
| 460 | I | A | 1.3386 | |
| 461 | P | A | -0.0490 | |
| 462 | K | A | -1.3893 | |
| 463 | S | A | -0.8686 | |
| 464 | T | A | -0.6565 | |
| 465 | T | A | -0.4672 | |
| 466 | D | A | -0.1816 | |
| 467 | Y | A | 0.0558 | |
| 468 | A | A | 0.7961 | |
| 469 | W | A | 0.7076 | |
| 470 | Q | A | 0.0000 | |
| 471 | T | A | -0.0374 | |
| 472 | S | A | -0.1266 | |
| 473 | T | A | -0.1868 | |
| 474 | N | A | 0.0000 | |
| 475 | P | A | 0.0187 | |
| 476 | S | A | 0.2683 | |
| 477 | I | A | 1.0468 | |
| 478 | F | A | 1.0644 | |
| 479 | W | A | 0.6320 | |
| 480 | T | A | -0.2190 | |
| 481 | E | A | -0.9516 | |
| 482 | E | A | -1.4691 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.2816 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.2538 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.7756 | |
| 492 | D | A | -0.4727 | |
| 493 | V | A | 0.6620 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.4361 | |
| 497 | E | A | -1.2352 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -1.0339 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | -0.6722 | |
| 503 | R | A | -1.8640 | |
| 504 | P | A | -0.7371 | |
| 505 | V | A | -0.2333 | |
| 506 | L | A | -0.2213 | |
| 507 | T | A | -0.6873 | |
| 508 | H | A | -0.8733 | |
| 509 | Q | A | -0.3974 | |
| 510 | I | A | 0.1952 | |
| 511 | M | A | 0.0000 | |
| 512 | Y | A | 0.1245 | |
| 513 | V | A | 0.0000 | |
| 514 | P | A | -0.1685 | |
| 515 | P | A | -0.6527 | |
| 516 | G | A | -0.4606 | |
| 517 | G | A | -0.0713 | |
| 518 | P | A | 0.4415 | |
| 519 | I | A | 1.5114 | |
| 520 | P | A | 0.3445 | |
| 521 | A | A | -0.1874 | |
| 522 | K | A | -1.1342 | |
| 523 | V | A | -0.0766 | |
| 524 | D | A | -1.7486 | |
| 525 | S | A | -0.5800 | |
| 526 | Y | A | -0.2470 | |
| 527 | E | A | -0.0300 | |
| 528 | W | A | 0.2863 | |
| 529 | Q | A | -0.0709 | |
| 530 | T | A | -0.0818 | |
| 531 | S | A | -0.2060 | |
| 532 | T | A | -0.2422 | |
| 533 | N | A | 0.0000 | |
| 534 | P | A | -0.2007 | |
| 535 | S | A | 0.1091 | |
| 536 | V | A | 0.6503 | |
| 537 | F | A | 0.0000 | |
| 538 | W | A | 0.5284 | |
| 539 | T | A | -0.1408 | |
| 540 | E | A | -0.8374 | |
| 541 | T | A | -0.8942 | |
| 542 | L | A | 0.0000 | |
| 543 | W | A | -0.1388 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.7635 | |
| 546 | E | A | -2.4631 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.7933 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.6535 | |
| 551 | A | A | -1.8196 | |
| 552 | K | A | -2.1101 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | 0.0000 | |
| 556 | D | A | -1.6407 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.5633 | |
| 560 | V | A | -1.6763 | |
| 561 | L | A | -0.6616 | |
| 562 | R | A | -1.2684 | |
| 563 | H | A | -1.5998 | |
| 564 | P | A | -0.2196 | |
| 565 | V | A | 0.0157 | |
| 566 | L | A | -0.0130 | |
| 567 | T | A | -0.3753 | |
| 568 | H | A | -0.1922 | |
| 569 | Q | A | -0.0388 | |
| 570 | I | A | 0.2768 | |
| 571 | M | A | 0.0000 | |
| 572 | Y | A | 0.0122 | |
| 573 | V | A | 0.1999 | |
| 574 | P | A | -0.1199 | |
| 575 | P | A | -0.5441 | |
| 576 | G | A | -0.4579 | |
| 577 | G | A | -0.0779 | |
| 578 | P | A | 0.3462 | |
| 579 | I | A | 1.1364 | |
| 580 | P | A | 0.1425 | |
| 581 | A | A | -0.2729 | |
| 582 | K | A | -1.1791 | |
| 583 | V | A | 0.0333 | |
| 584 | D | A | -1.4241 | |
| 585 | S | A | -0.5119 | |
| 586 | Y | A | -0.1306 | |
| 587 | E | A | 0.0248 | |
| 588 | W | A | 0.4058 | |
| 589 | Q | A | -0.0475 | |
| 590 | T | A | -0.1318 | |
| 591 | S | A | -0.2698 | |
| 592 | T | A | -0.2913 | |
| 593 | N | A | -0.3692 | |
| 594 | P | A | -0.2808 | |
| 595 | S | A | 0.0945 | |
| 596 | V | A | 0.8005 | |
| 597 | F | A | 1.1220 | |
| 598 | W | A | 0.5573 | |
| 599 | T | A | -0.2042 | |
| 600 | E | A | -0.9716 | |
| 601 | E | A | -0.9149 | |
| 602 | L | A | -0.0856 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.9825 | |
| 606 | G | A | -1.6595 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.5484 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4014 | |
| 611 | D | A | -1.5223 | |
| 612 | E | A | -1.8733 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.3806 | |
| 616 | L | A | -1.2456 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -0.6901 | |
| 620 | T | A | 0.0000 | |
| 621 | L | A | 0.9455 | |
| 622 | L | A | 0.9404 | |
| 623 | P | A | 1.1160 | |
| 624 | V | A | 1.7224 | |
| 625 | L | A | 1.1675 | |
| 626 | T | A | 0.3489 | |
| 627 | H | A | -0.1700 | |
| 628 | Q | A | 0.1488 | |
| 629 | I | A | 0.1834 | |
| 630 | M | A | 0.0000 | |
| 631 | Y | A | 0.1632 | |
| 632 | V | A | 0.0000 | |
| 633 | P | A | -0.2525 | |
| 634 | P | A | -0.6006 | |
| 635 | G | A | -0.5131 | |
| 636 | G | A | -0.1946 | |
| 637 | P | A | 0.2470 | |
| 638 | I | A | 1.0726 | |
| 639 | P | A | 0.0353 | |
| 640 | A | A | -0.3346 | |
| 641 | K | A | -1.3706 | |
| 642 | V | A | -0.4600 | |
| 643 | D | A | -1.5285 | |
| 644 | S | A | -0.6100 | |
| 645 | Y | A | -0.3179 | |
| 646 | E | A | -0.2209 | |
| 647 | W | A | 0.0000 | |
| 648 | Q | A | -0.2085 | |
| 649 | T | A | -0.1329 | |
| 650 | S | A | -0.2062 | |
| 651 | T | A | -0.2577 | |
| 652 | N | A | -0.3467 | |
| 653 | P | A | -0.1873 | |
| 654 | S | A | 0.1722 | |
| 655 | V | A | 0.9150 | |
| 656 | F | A | 1.1602 | |
| 657 | W | A | 0.6102 | |
| 658 | T | A | -0.2588 | |
| 659 | E | A | -1.2972 | |
| 660 | S | A | -0.8667 | |
| 661 | L | A | -0.2851 | |
| 662 | W | A | 0.0988 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -1.1356 | |
| 665 | S | A | -1.7466 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5430 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.1316 | |
| 670 | A | A | -1.0901 | |
| 671 | A | A | -0.7667 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.7121 | |
| 675 | H | A | -0.8466 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.5879 | |
| 678 | S | A | -0.3917 | |
| 679 | V | A | 0.3457 | |
| 680 | L | A | 0.4793 | |
| 681 | A | A | 0.0887 | |
| 682 | Q | A | 0.1378 | |
| 683 | P | A | 0.4383 | |
| 684 | V | A | 1.0066 | |
| 685 | L | A | 0.3870 | |
| 686 | T | A | -0.0957 | |
| 687 | H | A | -0.2051 | |
| 688 | Q | A | -0.4283 | |
| 689 | I | A | 0.0000 | |
| 690 | M | A | 0.0000 | |
| 691 | Y | A | -0.1437 | |
| 692 | V | A | 0.0000 | |
| 693 | P | A | -0.1531 | |
| 694 | P | A | -0.5996 | |
| 695 | G | A | -0.4568 | |
| 696 | G | A | -0.0333 | |
| 697 | P | A | 0.4088 | |
| 698 | I | A | 1.3823 | |
| 699 | P | A | 0.2131 | |
| 700 | A | A | -0.1852 | |
| 701 | K | A | -1.1938 | |
| 702 | V | A | -0.1609 | |
| 703 | D | A | -1.4199 | |
| 704 | S | A | -0.7139 | |
| 705 | Y | A | -0.5673 | |
| 706 | E | A | -0.3381 | |
| 707 | W | A | 0.1462 | |
| 708 | Q | A | -0.1544 | |
| 709 | T | A | -0.0752 | |
| 710 | S | A | -0.2661 | |
| 711 | T | A | -0.2172 | |
| 712 | N | A | 0.0000 | |
| 713 | P | A | -0.1829 | |
| 714 | S | A | 0.1529 | |
| 715 | V | A | 0.9054 | |
| 716 | F | A | 1.1806 | |
| 717 | W | A | 0.5735 | |
| 718 | T | A | -0.2475 | |
| 719 | E | A | -1.0775 | |
| 720 | E | A | -0.9160 | |
| 721 | L | A | 0.0000 | |
| 722 | Q | A | -0.2084 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.2871 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -2.9951 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.5208 | |
| 730 | D | A | -1.7093 | |
| 731 | A | A | -0.9560 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -1.6451 | |
| 735 | E | A | -1.5822 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.5850 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | -0.0713 | |
| 741 | G | A | -0.0182 | |
| 742 | P | A | 0.3559 | |
| 743 | V | A | 1.0803 | |
| 744 | L | A | 0.4838 | |
| 745 | T | A | -0.0893 | |
| 746 | H | A | -0.5604 | |
| 747 | Q | A | -0.4862 | |
| 748 | I | A | 0.0000 | |
| 749 | M | A | 0.0000 | |
| 750 | Y | A | -0.2430 | |
| 751 | V | A | 0.0000 | |
| 752 | P | A | -0.2214 | |
| 753 | P | A | -0.5852 | |
| 754 | G | A | -0.5399 | |
| 755 | G | A | -0.2211 | |
| 756 | P | A | 0.1101 | |
| 757 | I | A | 0.7626 | |
| 758 | P | A | -0.2371 | |
| 759 | A | A | -0.4321 | |
| 760 | K | A | -1.4421 | |
| 761 | V | A | -0.8739 | |
| 762 | D | A | -1.7918 | |
| 763 | S | A | -1.1316 | |
| 764 | Y | A | -0.7633 | |
| 765 | E | A | -0.6435 | |
| 766 | W | A | -0.2368 | |
| 767 | Q | A | -0.2865 | |
| 768 | T | A | -0.1173 | |
| 769 | S | A | -0.2636 | |
| 770 | T | A | -0.2955 | |
| 771 | N | A | -0.3676 | |
| 772 | P | A | -0.3326 | |
| 773 | S | A | 0.1239 | |
| 774 | V | A | 1.1077 | |
| 775 | F | A | 1.3384 | |
| 776 | W | A | 0.9760 | |
| 777 | T | A | -0.0223 | |
| 778 | E | A | -0.7191 | |
| 779 | V | A | -0.6389 | |
| 780 | L | A | -0.2271 | |
| 781 | W | A | -0.2469 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | -1.2821 | |
| 784 | D | A | -2.8425 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -2.4508 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.6896 | |
| 789 | D | A | -0.8774 | |
| 790 | S | A | -0.8707 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.5644 | |
| 794 | S | A | -0.5581 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | 0.5636 | |
| 798 | T | A | 0.4266 | |
| 799 | L | A | 1.3522 | |
| 800 | L | A | 1.7040 | |
| 801 | A | A | 0.9784 | |
| 802 | P | A | 0.9138 | |
| 803 | V | A | 1.0131 | |
| 804 | L | A | 0.5753 | |
| 805 | T | A | 0.3689 | |
| 806 | H | A | -0.1932 | |
| 807 | Q | A | -0.2697 | |
| 808 | I | A | 0.0000 | |
| 809 | M | A | 0.0000 | |
| 810 | Y | A | -0.0419 | |
| 811 | V | A | 0.0639 | |
| 812 | P | A | -0.1038 | |
| 813 | P | A | -0.5690 | |
| 814 | G | A | -0.4462 | |
| 815 | G | A | 0.0120 | |
| 816 | P | A | 0.3482 | |
| 817 | I | A | 1.2383 | |
| 818 | P | A | 0.0336 | |
| 819 | A | A | -0.2104 | |
| 820 | K | A | -1.1305 | |
| 821 | V | A | -0.0643 | |
| 822 | D | A | -1.7008 | |
| 823 | S | A | -1.0679 | |
| 824 | Y | A | -0.8135 | |
| 825 | E | A | -1.0795 | |
| 826 | W | A | -0.1731 | |
| 827 | Q | A | -0.2469 | |
| 828 | T | A | -0.0199 | |
| 829 | S | A | -0.2541 | |
| 830 | T | A | -0.2764 | |
| 831 | N | A | 0.0000 | |
| 832 | P | A | -0.1647 | |
| 833 | S | A | 0.4137 | |
| 834 | V | A | 1.8455 | |
| 835 | F | A | 2.1607 | |
| 836 | W | A | 1.3768 | |
| 837 | T | A | 0.2857 | |
| 838 | E | A | -1.0009 | |
| 839 | E | A | -1.2476 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | -0.2632 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -1.4337 | |
| 845 | N | A | 0.0000 | |
| 846 | C | A | -0.1452 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.1237 | |
| 849 | D | A | -1.1323 | |
| 850 | A | A | -0.5686 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.7391 | |
| 854 | Q | A | -1.0476 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | -0.9504 | |
| 857 | E | A | -1.7161 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | -0.6182 | |
| 860 | R | A | -1.3722 | |
| 861 | P | A | -0.1111 | |
| 862 | V | A | 1.7983 | |
| 863 | L | A | 1.3211 | |
| 864 | T | A | 0.2697 | |
| 865 | H | A | 0.1727 | |
| 866 | Q | A | -0.1627 | |
| 867 | I | A | 0.2341 | |
| 868 | M | A | -0.1519 | |
| 869 | Y | A | 0.0634 | |
| 870 | V | A | 0.2476 | |
| 871 | P | A | -0.0236 | |
| 872 | P | A | -0.5240 | |
| 873 | G | A | -0.4418 | |
| 874 | G | A | 0.0132 | |
| 875 | P | A | 0.3634 | |
| 876 | I | A | 1.2574 | |
| 877 | P | A | 0.2528 | |
| 878 | A | A | -0.2090 | |
| 879 | K | A | -1.1025 | |
| 880 | V | A | -0.0848 | |
| 881 | D | A | -1.6988 | |
| 882 | S | A | -0.9556 | |
| 883 | Y | A | -0.8002 | |
| 884 | E | A | -1.2104 | |
| 885 | W | A | 0.0358 | |
| 886 | Q | A | -0.1052 | |
| 887 | T | A | -0.0447 | |
| 888 | S | A | -0.3075 | |
| 889 | T | A | -0.3554 | |
| 890 | N | A | -0.3454 | |
| 891 | P | A | -0.2424 | |
| 892 | S | A | 0.7570 | |
| 893 | V | A | 2.9074 | |
| 894 | F | A | 3.2308 | |
| 895 | W | A | 2.3718 | |
| 896 | T | A | 0.1321 | |
| 897 | E | A | -1.5076 | |
| 898 | Q | A | -1.2593 | |
| 899 | L | A | 0.0000 | |
| 900 | V | A | 0.0917 | |
| 901 | L | A | 0.0000 | |
| 902 | Y | A | 0.5348 | |
| 903 | D | A | -1.1386 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.7830 | |
| 906 | W | A | -0.4467 | |
| 907 | S | A | -1.9200 | |
| 908 | E | A | -3.5338 | |
| 909 | E | A | -4.0065 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.3780 | |
| 912 | D | A | -4.2570 | |
| 913 | R | A | -3.8271 | |
| 914 | L | A | -2.6316 | |
| 915 | Q | A | -3.3147 | |
| 916 | A | A | -2.8108 | |
| 917 | L | A | -2.1703 | |
| 918 | E | A | -3.5624 | |
| 919 | K | A | -3.3670 | |
| 920 | D | A | -2.7670 | |
| 921 | P | A | -1.3229 | |
| 922 | V | A | 0.0890 | |
| 923 | L | A | 0.8480 | |
| 924 | T | A | -0.2524 | |
| 925 | H | A | -0.4328 | |
| 926 | Q | A | -0.4201 | |
| 927 | I | A | 0.2929 | |
| 928 | M | A | 0.0018 | |
| 929 | Y | A | 0.0632 | |
| 930 | V | A | 0.4518 | |
| 931 | P | A | -0.0466 | |
| 932 | P | A | -0.5144 | |
| 933 | G | A | -0.4415 | |
| 934 | G | A | 0.0649 | |
| 935 | P | A | 0.4121 | |
| 936 | I | A | 1.4857 | |
| 937 | P | A | 0.4626 | |
| 938 | A | A | -0.1913 | |
| 939 | K | A | -0.9925 | |
| 940 | V | A | 0.0465 | |
| 941 | D | A | -1.6282 | |
| 942 | S | A | -0.5761 | |
| 943 | Y | A | -0.1201 | |
| 944 | E | A | -1.1822 | |
| 945 | W | A | -0.1550 | |
| 946 | Q | A | -1.1198 | |
| 947 | T | A | -0.5761 | |
| 948 | S | A | -0.4089 | |
| 949 | T | A | -0.5689 | |
| 950 | N | A | -0.6349 | |
| 951 | P | A | -0.3605 | |
| 952 | S | A | 0.8556 | |
| 953 | V | A | 2.9790 | |
| 954 | F | A | 3.8380 | |
| 955 | W | A | 2.5475 | |
| 956 | T | A | 0.3445 | |
| 957 | E | A | -1.6052 | |
| 958 | R | A | -2.1919 | |
| 959 | V | A | -0.4893 | |
| 960 | I | A | 0.5100 | |
| 961 | S | A | 0.0569 |
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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, -0.2919 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 | -0.2919 | View | CSV | PDB |
| model_1 | -0.3702 | View | CSV | PDB |
| model_0 | -0.386 | View | CSV | PDB |
| model_8 | -0.4069 | View | CSV | PDB |
| model_6 | -0.4086 | View | CSV | PDB |
| model_9 | -0.4143 | View | CSV | PDB |
| model_2 | -0.4143 | View | CSV | PDB |
| model_3 | -0.4152 | View | CSV | PDB |
| CABS_average | -0.4178 | View | CSV | PDB |
| model_7 | -0.4245 | View | CSV | PDB |
| model_5 | -0.4277 | View | CSV | PDB |
| model_10 | -0.4459 | View | CSV | PDB |
| model_11 | -0.4493 | View | CSV | PDB |
| model_4 | -0.4513 | 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