Project name: C28_E18_EF_E30_EF_INTERFACE_SAT
Status: done
Started: 2026-07-21 13:43:12
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEVRLDDCGLTEARCKDISSALRVPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELNLRSNELGDVGVHCVLQGLQPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEKLSLQNCCLTGAGCGVLSSTLRTPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELHLSDNLLGDAGLQLLCEGLLPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEKLQLEYCSLSAASCEPLASVLRAPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELTVSNNDINEAGVRVLCQGLKDPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEALKLESCGVTSDNCRDLCGIVASPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEELALGSNKLGDVGMAELCPGLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTETLWIWECGITAKGCGDLCRVLRAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELSLAGNELGDEGARLLCETLLPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTESLWVKSCSFTAACCSHFSSVLAQPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELQISNNRLEDAGVRELCQGLHPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEVLWLADCDVSDSSCSSLAATLLAPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEELDLSNNCLGDAGILQLVESVRPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEQLVLYDIYWSEEMEDRLQALEKDPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTERVIS
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 (00:16:36)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:35:05)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:35:13)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:35:22)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:35:31)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:35:39)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:35:48)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:35:57)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:36:05)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:36:14)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:36:22)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:36:31)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:36:40)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:36:48)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:37:08)
[INFO] Main: Simulation completed successfully. (03:37:17)
|
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
- -3.7982
- Maximal score value
- 2.7609
- Average score
- -0.394
- Total score value
- -378.6447
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 | 0.1427 | |
| 2 | L | A | 0.6376 | |
| 3 | D | A | -1.1040 | |
| 4 | I | A | -0.1448 | |
| 5 | Q | A | -1.3027 | |
| 6 | S | A | -0.9943 | |
| 7 | L | A | -0.7238 | |
| 8 | D | A | -1.9287 | |
| 9 | I | A | -1.8203 | |
| 10 | Q | A | -2.4290 | |
| 11 | C | A | -1.5479 | |
| 12 | E | A | -2.8505 | |
| 13 | E | A | -3.2741 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.2721 | |
| 16 | D | A | -2.6420 | |
| 17 | A | A | -1.8378 | |
| 18 | R | A | -2.5143 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.5252 | |
| 21 | E | A | -2.2318 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.4744 | |
| 24 | P | A | -0.1062 | |
| 25 | L | A | 0.7374 | |
| 26 | L | A | 0.3819 | |
| 27 | Q | A | 0.2784 | |
| 28 | P | A | 1.1273 | |
| 29 | V | A | 2.1559 | |
| 30 | L | A | 1.4602 | |
| 31 | T | A | 0.0665 | |
| 32 | H | A | -0.2141 | |
| 33 | Q | A | -0.0144 | |
| 34 | I | A | 0.8796 | |
| 35 | M | A | 1.3324 | |
| 36 | Y | A | 1.3520 | |
| 37 | V | A | 1.1986 | |
| 38 | P | A | 0.0973 | |
| 39 | P | A | -0.3764 | |
| 40 | G | A | -0.3707 | |
| 41 | G | A | -0.0327 | |
| 42 | P | A | 0.2685 | |
| 43 | I | A | 1.4403 | |
| 44 | P | A | 0.1343 | |
| 45 | A | A | -0.4341 | |
| 46 | K | A | -1.1655 | |
| 47 | V | A | 0.1027 | |
| 48 | D | A | -1.7983 | |
| 49 | S | A | -1.2729 | |
| 50 | Y | A | -0.8968 | |
| 51 | E | A | -1.4677 | |
| 52 | W | A | 0.2879 | |
| 53 | Q | A | 0.0000 | |
| 54 | T | A | 0.7342 | |
| 55 | S | A | 0.0000 | |
| 56 | T | A | -0.4433 | |
| 57 | N | A | -1.5671 | |
| 58 | P | A | 0.0000 | |
| 59 | S | A | 0.1048 | |
| 60 | V | A | 1.1854 | |
| 61 | F | A | 2.2429 | |
| 62 | W | A | 0.8722 | |
| 63 | T | A | -0.0568 | |
| 64 | E | A | -1.1610 | |
| 65 | V | A | -0.7260 | |
| 66 | R | A | -1.5059 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -2.1242 | |
| 69 | D | A | -2.7336 | |
| 70 | C | A | 0.0000 | |
| 71 | G | A | -1.9673 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.5190 | |
| 74 | E | A | -2.0325 | |
| 75 | A | A | -1.1921 | |
| 76 | R | A | -1.6598 | |
| 77 | C | A | 0.0000 | |
| 78 | K | A | -2.2362 | |
| 79 | D | A | -1.7180 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | -0.8449 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | 0.0125 | |
| 85 | R | A | -0.5491 | |
| 86 | V | A | 0.8237 | |
| 87 | P | A | 0.6283 | |
| 88 | V | A | 1.0798 | |
| 89 | L | A | 0.8026 | |
| 90 | T | A | 0.4085 | |
| 91 | H | A | -0.1325 | |
| 92 | Q | A | -0.1147 | |
| 93 | I | A | 0.2002 | |
| 94 | M | A | 0.0000 | |
| 95 | Y | A | 0.2587 | |
| 96 | V | A | 0.0000 | |
| 97 | P | A | -0.2233 | |
| 98 | P | A | -0.5663 | |
| 99 | G | A | -0.5133 | |
| 100 | G | A | -0.3290 | |
| 101 | P | A | -0.1288 | |
| 102 | I | A | 0.5584 | |
| 103 | P | A | 0.0000 | |
| 104 | A | A | -1.0237 | |
| 105 | K | A | -2.1469 | |
| 106 | V | A | -1.2346 | |
| 107 | D | A | -2.0856 | |
| 108 | S | A | -1.5355 | |
| 109 | Y | A | 0.0000 | |
| 110 | E | A | -1.1594 | |
| 111 | W | A | 0.0000 | |
| 112 | Q | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | T | A | -0.7904 | |
| 116 | N | A | -1.6584 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | -0.2240 | |
| 119 | V | A | 0.0000 | |
| 120 | F | A | 1.4482 | |
| 121 | W | A | 0.0000 | |
| 122 | T | A | -0.3225 | |
| 123 | E | A | -1.2958 | |
| 124 | E | A | -1.1232 | |
| 125 | L | A | -0.6055 | |
| 126 | N | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | R | A | -2.0947 | |
| 129 | S | A | -1.9602 | |
| 130 | N | A | 0.0000 | |
| 131 | E | A | -2.4790 | |
| 132 | L | A | 0.0000 | |
| 133 | G | A | -0.5024 | |
| 134 | D | A | 0.0752 | |
| 135 | V | A | 0.9314 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | H | A | -0.2072 | |
| 139 | C | A | -0.5741 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -0.9202 | |
| 143 | G | A | 0.0000 | |
| 144 | L | A | 0.0850 | |
| 145 | Q | A | -0.3081 | |
| 146 | P | A | 0.1611 | |
| 147 | V | A | 0.9270 | |
| 148 | L | A | 0.7967 | |
| 149 | T | A | 0.2897 | |
| 150 | H | A | -0.0332 | |
| 151 | Q | A | 0.0504 | |
| 152 | I | A | 0.1267 | |
| 153 | M | A | 0.0000 | |
| 154 | Y | A | 0.2588 | |
| 155 | V | A | 0.1347 | |
| 156 | P | A | -0.1650 | |
| 157 | P | A | -0.5503 | |
| 158 | G | A | -0.5335 | |
| 159 | G | A | -0.4557 | |
| 160 | P | A | -0.1892 | |
| 161 | I | A | 0.2028 | |
| 162 | P | A | 0.0000 | |
| 163 | A | A | -1.1485 | |
| 164 | K | A | -2.1917 | |
| 165 | V | A | -1.1161 | |
| 166 | D | A | -2.2655 | |
| 167 | S | A | -1.7957 | |
| 168 | Y | A | 0.0000 | |
| 169 | E | A | -1.7693 | |
| 170 | W | A | 0.0000 | |
| 171 | Q | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | T | A | -0.6684 | |
| 175 | N | A | -1.3524 | |
| 176 | P | A | 0.0000 | |
| 177 | S | A | -0.2851 | |
| 178 | V | A | 0.0000 | |
| 179 | F | A | 1.0351 | |
| 180 | W | A | 0.0000 | |
| 181 | T | A | -1.1028 | |
| 182 | E | A | -2.2692 | |
| 183 | K | A | -1.7327 | |
| 184 | L | A | -0.7530 | |
| 185 | S | A | -0.5746 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.2954 | |
| 188 | N | A | -1.8446 | |
| 189 | C | A | 0.0000 | |
| 190 | C | A | -0.2579 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.5407 | |
| 193 | G | A | 0.1560 | |
| 194 | A | A | 0.3511 | |
| 195 | G | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | G | A | -0.0834 | |
| 198 | V | A | 0.1863 | |
| 199 | L | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | -0.3682 | |
| 202 | T | A | -0.2160 | |
| 203 | L | A | 0.2028 | |
| 204 | R | A | -0.6220 | |
| 205 | T | A | -0.2328 | |
| 206 | P | A | 0.2381 | |
| 207 | V | A | 0.8446 | |
| 208 | L | A | 0.8549 | |
| 209 | T | A | 0.5670 | |
| 210 | H | A | 0.1376 | |
| 211 | Q | A | 0.1196 | |
| 212 | I | A | 0.1872 | |
| 213 | M | A | 0.0000 | |
| 214 | Y | A | 0.2332 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | -0.2838 | |
| 217 | P | A | -0.6439 | |
| 218 | G | A | -0.5756 | |
| 219 | G | A | -0.4913 | |
| 220 | P | A | -0.3709 | |
| 221 | I | A | -0.2280 | |
| 222 | P | A | 0.0000 | |
| 223 | A | A | -1.2926 | |
| 224 | K | A | -2.2997 | |
| 225 | V | A | -1.1144 | |
| 226 | D | A | -2.1041 | |
| 227 | S | A | -1.6658 | |
| 228 | Y | A | -1.1446 | |
| 229 | E | A | -1.6580 | |
| 230 | W | A | 0.0000 | |
| 231 | Q | A | -0.1170 | |
| 232 | T | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | T | A | -0.5586 | |
| 235 | N | A | -1.1873 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | -0.2449 | |
| 238 | V | A | 0.0000 | |
| 239 | F | A | 0.9849 | |
| 240 | W | A | 0.0000 | |
| 241 | T | A | -1.1675 | |
| 242 | E | A | -2.2672 | |
| 243 | E | A | -1.6980 | |
| 244 | L | A | -0.7793 | |
| 245 | H | A | -0.7339 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -1.4524 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 1.2711 | |
| 251 | L | A | 0.0000 | |
| 252 | G | A | 0.0663 | |
| 253 | D | A | -0.7007 | |
| 254 | A | A | -0.2901 | |
| 255 | G | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Q | A | -0.9073 | |
| 258 | L | A | -0.0184 | |
| 259 | L | A | 0.0000 | |
| 260 | C | A | 0.0000 | |
| 261 | E | A | -0.8032 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.5222 | |
| 264 | L | A | 0.7141 | |
| 265 | P | A | 0.7444 | |
| 266 | V | A | 0.8859 | |
| 267 | L | A | 0.6518 | |
| 268 | T | A | 0.2600 | |
| 269 | H | A | -0.0661 | |
| 270 | Q | A | 0.0299 | |
| 271 | I | A | 0.1173 | |
| 272 | M | A | 0.3302 | |
| 273 | Y | A | 0.2859 | |
| 274 | V | A | 0.3114 | |
| 275 | P | A | -0.2503 | |
| 276 | P | A | -0.5125 | |
| 277 | G | A | -0.5462 | |
| 278 | G | A | -0.4007 | |
| 279 | P | A | -0.3120 | |
| 280 | I | A | -0.1633 | |
| 281 | P | A | 0.0000 | |
| 282 | A | A | -1.1262 | |
| 283 | K | A | -1.8969 | |
| 284 | V | A | -0.5941 | |
| 285 | D | A | -1.9201 | |
| 286 | S | A | -1.5270 | |
| 287 | Y | A | -1.2052 | |
| 288 | E | A | -1.6688 | |
| 289 | W | A | 0.0000 | |
| 290 | Q | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | T | A | -0.6545 | |
| 294 | N | A | -1.4566 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | -0.2766 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.9486 | |
| 299 | W | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | E | A | -2.1054 | |
| 302 | K | A | -1.7590 | |
| 303 | L | A | -0.7963 | |
| 304 | Q | A | -0.4615 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.4075 | |
| 307 | Y | A | 0.2123 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.2361 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | -0.9592 | |
| 312 | A | A | -1.2718 | |
| 313 | A | A | -0.6247 | |
| 314 | S | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.1047 | |
| 317 | P | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -0.8836 | |
| 321 | V | A | -0.0487 | |
| 322 | L | A | -0.2601 | |
| 323 | R | A | -1.1699 | |
| 324 | A | A | 0.0109 | |
| 325 | P | A | 0.1826 | |
| 326 | V | A | 0.8007 | |
| 327 | L | A | 0.4626 | |
| 328 | T | A | 0.2906 | |
| 329 | H | A | -0.0262 | |
| 330 | Q | A | -0.0293 | |
| 331 | I | A | 0.0771 | |
| 332 | M | A | 0.0000 | |
| 333 | Y | A | 0.2404 | |
| 334 | V | A | 0.0836 | |
| 335 | P | A | -0.1749 | |
| 336 | P | A | -0.5738 | |
| 337 | G | A | -0.5121 | |
| 338 | G | A | -0.3938 | |
| 339 | P | A | -0.2070 | |
| 340 | I | A | -0.0408 | |
| 341 | P | A | 0.0000 | |
| 342 | A | A | -1.2589 | |
| 343 | K | A | -2.3438 | |
| 344 | V | A | -1.5494 | |
| 345 | D | A | -2.3689 | |
| 346 | S | A | -1.7724 | |
| 347 | Y | A | -1.2894 | |
| 348 | E | A | -1.6622 | |
| 349 | W | A | 0.0000 | |
| 350 | Q | A | 0.0000 | |
| 351 | T | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | T | A | -0.6750 | |
| 354 | N | A | -1.4228 | |
| 355 | P | A | 0.0000 | |
| 356 | S | A | -0.3357 | |
| 357 | V | A | 0.0000 | |
| 358 | F | A | 1.0317 | |
| 359 | W | A | 0.0000 | |
| 360 | T | A | -1.1156 | |
| 361 | E | A | -2.3077 | |
| 362 | E | A | -1.8186 | |
| 363 | L | A | -0.7696 | |
| 364 | T | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | N | A | -0.7560 | |
| 368 | N | A | 0.0000 | |
| 369 | D | A | -2.1280 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | -1.9865 | |
| 372 | E | A | -2.6386 | |
| 373 | A | A | -1.5007 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.9015 | |
| 377 | V | A | -1.6208 | |
| 378 | L | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -2.1781 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -0.7832 | |
| 383 | K | A | -1.8721 | |
| 384 | D | A | -2.3000 | |
| 385 | P | A | -0.9012 | |
| 386 | V | A | 0.0759 | |
| 387 | L | A | 0.1927 | |
| 388 | T | A | 0.3272 | |
| 389 | H | A | -0.0331 | |
| 390 | Q | A | -0.1130 | |
| 391 | I | A | 0.0622 | |
| 392 | M | A | 0.0000 | |
| 393 | Y | A | 0.2204 | |
| 394 | V | A | 0.2781 | |
| 395 | P | A | -0.1743 | |
| 396 | P | A | -0.5289 | |
| 397 | G | A | -0.4972 | |
| 398 | G | A | -0.3737 | |
| 399 | P | A | -0.1203 | |
| 400 | I | A | 0.1640 | |
| 401 | P | A | 0.0000 | |
| 402 | A | A | -1.2329 | |
| 403 | K | A | -2.2820 | |
| 404 | V | A | -1.3973 | |
| 405 | D | A | -2.3168 | |
| 406 | S | A | -1.7304 | |
| 407 | Y | A | -1.2521 | |
| 408 | E | A | -1.6251 | |
| 409 | W | A | 0.0000 | |
| 410 | Q | A | -0.0382 | |
| 411 | T | A | 0.0000 | |
| 412 | S | A | 0.0000 | |
| 413 | T | A | -0.7695 | |
| 414 | N | A | -1.6342 | |
| 415 | P | A | 0.0000 | |
| 416 | S | A | -0.2170 | |
| 417 | V | A | 0.0000 | |
| 418 | F | A | 1.0767 | |
| 419 | W | A | 0.0000 | |
| 420 | T | A | -0.9496 | |
| 421 | E | A | -1.8540 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | -0.6918 | |
| 424 | K | A | -0.5740 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -0.6330 | |
| 427 | S | A | -1.1164 | |
| 428 | C | A | 0.0000 | |
| 429 | G | A | -1.6819 | |
| 430 | V | A | 0.0000 | |
| 431 | T | A | 0.0000 | |
| 432 | S | A | -1.5233 | |
| 433 | D | A | -2.8788 | |
| 434 | N | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | R | A | -2.8348 | |
| 437 | D | A | -2.2159 | |
| 438 | L | A | 0.0000 | |
| 439 | C | A | -0.5385 | |
| 440 | G | A | -0.7690 | |
| 441 | I | A | -0.3104 | |
| 442 | V | A | 0.5474 | |
| 443 | A | A | 0.2780 | |
| 444 | S | A | 0.0413 | |
| 445 | P | A | 0.5604 | |
| 446 | V | A | 0.5935 | |
| 447 | L | A | 0.5327 | |
| 448 | T | A | 0.4280 | |
| 449 | H | A | -0.0245 | |
| 450 | Q | A | 0.0308 | |
| 451 | I | A | 0.0612 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 0.2205 | |
| 454 | V | A | 0.3165 | |
| 455 | P | A | -0.1305 | |
| 456 | P | A | -0.5244 | |
| 457 | G | A | -0.4878 | |
| 458 | G | A | -0.2764 | |
| 459 | P | A | 0.0726 | |
| 460 | I | A | 0.4129 | |
| 461 | P | A | 0.0000 | |
| 462 | A | A | -1.1253 | |
| 463 | K | A | -2.3052 | |
| 464 | V | A | -1.5472 | |
| 465 | D | A | -2.0288 | |
| 466 | S | A | -1.4825 | |
| 467 | Y | A | -0.8034 | |
| 468 | E | A | -1.0092 | |
| 469 | W | A | 0.0000 | |
| 470 | Q | A | 0.1946 | |
| 471 | T | A | 0.0000 | |
| 472 | S | A | 0.0000 | |
| 473 | T | A | -0.7473 | |
| 474 | N | A | -1.3741 | |
| 475 | P | A | 0.0000 | |
| 476 | S | A | -0.1101 | |
| 477 | V | A | 0.8036 | |
| 478 | F | A | 1.2381 | |
| 479 | W | A | 0.0000 | |
| 480 | T | A | -0.6751 | |
| 481 | E | A | -1.5584 | |
| 482 | E | A | -1.2998 | |
| 483 | L | A | -0.3955 | |
| 484 | A | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | G | A | 0.0000 | |
| 487 | S | A | -1.2925 | |
| 488 | N | A | 0.0000 | |
| 489 | K | A | -2.2371 | |
| 490 | L | A | 0.0000 | |
| 491 | G | A | -0.9078 | |
| 492 | D | A | -0.3513 | |
| 493 | V | A | 0.7677 | |
| 494 | G | A | 0.0000 | |
| 495 | M | A | 0.0000 | |
| 496 | A | A | -0.3424 | |
| 497 | E | A | -1.1595 | |
| 498 | L | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | P | A | -0.4928 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.7009 | |
| 503 | L | A | 0.5770 | |
| 504 | P | A | 0.5243 | |
| 505 | P | A | 0.5694 | |
| 506 | L | A | 0.6341 | |
| 507 | T | A | 0.3364 | |
| 508 | H | A | -0.1191 | |
| 509 | Q | A | 0.1003 | |
| 510 | V | A | 0.1429 | |
| 511 | M | A | 0.0000 | |
| 512 | Y | A | 0.2881 | |
| 513 | V | A | 0.2245 | |
| 514 | P | A | -0.1244 | |
| 515 | P | A | -0.5310 | |
| 516 | G | A | -0.4696 | |
| 517 | G | A | -0.0934 | |
| 518 | P | A | 0.2310 | |
| 519 | I | A | 0.6203 | |
| 520 | P | A | 0.0000 | |
| 521 | K | A | -1.7288 | |
| 522 | S | A | -1.1903 | |
| 523 | Y | A | -0.4034 | |
| 524 | E | A | -1.4196 | |
| 525 | D | A | -1.0300 | |
| 526 | F | A | -0.1336 | |
| 527 | A | A | -0.0128 | |
| 528 | W | A | 0.0000 | |
| 529 | Q | A | 0.0000 | |
| 530 | T | A | 0.0000 | |
| 531 | S | A | 0.0000 | |
| 532 | T | A | -0.7972 | |
| 533 | N | A | -1.7383 | |
| 534 | P | A | 0.0000 | |
| 535 | S | A | -0.0633 | |
| 536 | V | A | 0.8627 | |
| 537 | F | A | 1.2814 | |
| 538 | W | A | 0.0000 | |
| 539 | T | A | -0.5624 | |
| 540 | E | A | -1.2896 | |
| 541 | T | A | -0.8072 | |
| 542 | L | A | -0.1140 | |
| 543 | W | A | 0.0916 | |
| 544 | I | A | 0.0000 | |
| 545 | W | A | -0.7198 | |
| 546 | E | A | -2.4571 | |
| 547 | C | A | 0.0000 | |
| 548 | G | A | -1.8992 | |
| 549 | I | A | 0.0000 | |
| 550 | T | A | -1.6656 | |
| 551 | A | A | -1.8506 | |
| 552 | K | A | -2.0505 | |
| 553 | G | A | 0.0000 | |
| 554 | C | A | 0.0000 | |
| 555 | G | A | 0.0000 | |
| 556 | D | A | -1.3614 | |
| 557 | L | A | 0.0000 | |
| 558 | C | A | 0.0000 | |
| 559 | R | A | -2.0782 | |
| 560 | V | A | 0.0000 | |
| 561 | L | A | -0.2739 | |
| 562 | R | A | -1.3507 | |
| 563 | A | A | -0.6957 | |
| 564 | P | A | -0.4336 | |
| 565 | P | A | -0.0045 | |
| 566 | L | A | 0.3604 | |
| 567 | T | A | 0.0122 | |
| 568 | H | A | -0.2249 | |
| 569 | Q | A | -0.3791 | |
| 570 | V | A | 0.0005 | |
| 571 | M | A | 0.0000 | |
| 572 | Y | A | 0.1802 | |
| 573 | V | A | 0.4100 | |
| 574 | P | A | -0.1038 | |
| 575 | P | A | -0.5205 | |
| 576 | G | A | -0.4778 | |
| 577 | G | A | -0.0495 | |
| 578 | P | A | 0.3875 | |
| 579 | I | A | 1.0288 | |
| 580 | P | A | 0.0000 | |
| 581 | K | A | -1.3970 | |
| 582 | S | A | -1.0393 | |
| 583 | Y | A | -0.3275 | |
| 584 | E | A | -1.3142 | |
| 585 | D | A | 0.0000 | |
| 586 | F | A | 0.1194 | |
| 587 | A | A | -0.0576 | |
| 588 | W | A | 0.0000 | |
| 589 | Q | A | 0.0000 | |
| 590 | T | A | 0.0000 | |
| 591 | S | A | 0.0000 | |
| 592 | T | A | -0.7834 | |
| 593 | N | A | -1.5696 | |
| 594 | P | A | 0.0000 | |
| 595 | S | A | -0.0598 | |
| 596 | V | A | 0.9329 | |
| 597 | F | A | 1.2851 | |
| 598 | W | A | 0.0000 | |
| 599 | T | A | -0.3601 | |
| 600 | E | A | -1.0555 | |
| 601 | E | A | -0.8416 | |
| 602 | L | A | -0.0278 | |
| 603 | S | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | A | A | -0.9283 | |
| 606 | G | A | -1.6028 | |
| 607 | N | A | 0.0000 | |
| 608 | E | A | -2.5427 | |
| 609 | L | A | 0.0000 | |
| 610 | G | A | -1.4955 | |
| 611 | D | A | -1.6611 | |
| 612 | E | A | -2.1304 | |
| 613 | G | A | 0.0000 | |
| 614 | A | A | 0.0000 | |
| 615 | R | A | -1.5695 | |
| 616 | L | A | -1.4849 | |
| 617 | L | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | E | A | -1.4205 | |
| 620 | T | A | 0.0000 | |
| 621 | L | A | 0.4342 | |
| 622 | L | A | 0.4218 | |
| 623 | P | A | 0.1795 | |
| 624 | P | A | 0.1232 | |
| 625 | L | A | 0.5137 | |
| 626 | T | A | -0.0922 | |
| 627 | H | A | -0.1844 | |
| 628 | Q | A | -0.0612 | |
| 629 | V | A | 0.0810 | |
| 630 | M | A | 0.3061 | |
| 631 | Y | A | 0.2482 | |
| 632 | V | A | 0.2868 | |
| 633 | P | A | -0.1727 | |
| 634 | P | A | -0.5849 | |
| 635 | G | A | -0.5695 | |
| 636 | G | A | -0.2908 | |
| 637 | P | A | 0.0577 | |
| 638 | I | A | 0.3184 | |
| 639 | P | A | 0.0000 | |
| 640 | K | A | -1.5687 | |
| 641 | S | A | -1.0519 | |
| 642 | Y | A | -0.1704 | |
| 643 | E | A | -1.4145 | |
| 644 | D | A | -1.1571 | |
| 645 | F | A | -0.2329 | |
| 646 | A | A | -0.2315 | |
| 647 | W | A | 0.0000 | |
| 648 | Q | A | 0.0000 | |
| 649 | T | A | 0.0000 | |
| 650 | S | A | 0.0000 | |
| 651 | T | A | -0.6016 | |
| 652 | N | A | -1.2000 | |
| 653 | P | A | 0.0000 | |
| 654 | S | A | 0.0223 | |
| 655 | V | A | 0.9795 | |
| 656 | F | A | 1.5719 | |
| 657 | W | A | 0.6722 | |
| 658 | T | A | -0.3364 | |
| 659 | E | A | -1.1664 | |
| 660 | S | A | 0.0000 | |
| 661 | L | A | -0.2143 | |
| 662 | W | A | 0.1678 | |
| 663 | V | A | 0.0000 | |
| 664 | K | A | -0.9383 | |
| 665 | S | A | -1.6672 | |
| 666 | C | A | 0.0000 | |
| 667 | S | A | -1.5266 | |
| 668 | F | A | 0.0000 | |
| 669 | T | A | -1.1667 | |
| 670 | A | A | -1.1386 | |
| 671 | A | A | -0.8145 | |
| 672 | C | A | 0.0000 | |
| 673 | C | A | 0.0000 | |
| 674 | S | A | -0.7186 | |
| 675 | H | A | -0.9066 | |
| 676 | F | A | 0.0000 | |
| 677 | S | A | -0.6772 | |
| 678 | S | A | -0.4786 | |
| 679 | V | A | 0.2532 | |
| 680 | L | A | 0.2763 | |
| 681 | A | A | -0.4893 | |
| 682 | Q | A | -0.3758 | |
| 683 | P | A | 0.0350 | |
| 684 | P | A | 0.2017 | |
| 685 | L | A | 0.3022 | |
| 686 | T | A | -0.0243 | |
| 687 | H | A | -0.1949 | |
| 688 | Q | A | -0.3100 | |
| 689 | V | A | 0.0120 | |
| 690 | M | A | 0.0000 | |
| 691 | Y | A | 0.1444 | |
| 692 | V | A | 0.0000 | |
| 693 | P | A | -0.2451 | |
| 694 | P | A | -0.6601 | |
| 695 | G | A | -0.5435 | |
| 696 | G | A | -0.0254 | |
| 697 | P | A | 0.3498 | |
| 698 | I | A | 0.7105 | |
| 699 | P | A | 0.0000 | |
| 700 | K | A | -1.4770 | |
| 701 | S | A | -1.0215 | |
| 702 | Y | A | -0.1232 | |
| 703 | E | A | -1.2834 | |
| 704 | D | A | -0.8654 | |
| 705 | F | A | -0.0584 | |
| 706 | A | A | -0.0482 | |
| 707 | W | A | 0.0000 | |
| 708 | Q | A | 0.4228 | |
| 709 | T | A | 0.0000 | |
| 710 | S | A | 0.0000 | |
| 711 | T | A | -0.4519 | |
| 712 | N | A | -0.9746 | |
| 713 | P | A | 0.0000 | |
| 714 | S | A | -0.0037 | |
| 715 | V | A | 0.0000 | |
| 716 | F | A | 1.3139 | |
| 717 | W | A | 0.5071 | |
| 718 | T | A | -0.3331 | |
| 719 | E | A | -1.0931 | |
| 720 | E | A | -0.8627 | |
| 721 | L | A | -0.1322 | |
| 722 | Q | A | -0.0303 | |
| 723 | I | A | 0.0000 | |
| 724 | S | A | 0.0000 | |
| 725 | N | A | -2.1788 | |
| 726 | N | A | 0.0000 | |
| 727 | R | A | -2.9842 | |
| 728 | L | A | 0.0000 | |
| 729 | E | A | -2.6220 | |
| 730 | D | A | -1.7757 | |
| 731 | A | A | -1.0124 | |
| 732 | G | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | R | A | -1.6846 | |
| 735 | E | A | -1.6106 | |
| 736 | L | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | Q | A | -1.8233 | |
| 739 | G | A | 0.0000 | |
| 740 | L | A | -0.5345 | |
| 741 | H | A | -1.0513 | |
| 742 | P | A | -0.1128 | |
| 743 | P | A | 0.4312 | |
| 744 | L | A | 1.6015 | |
| 745 | T | A | 0.6210 | |
| 746 | H | A | 0.2628 | |
| 747 | Q | A | 0.2649 | |
| 748 | V | A | 0.0522 | |
| 749 | M | A | 0.2632 | |
| 750 | Y | A | 0.2652 | |
| 751 | V | A | 0.3548 | |
| 752 | P | A | -0.1255 | |
| 753 | P | A | -0.6051 | |
| 754 | G | A | -0.5006 | |
| 755 | G | A | -0.0724 | |
| 756 | P | A | 0.3345 | |
| 757 | I | A | 0.9728 | |
| 758 | P | A | 0.0000 | |
| 759 | K | A | -1.3581 | |
| 760 | S | A | -0.8768 | |
| 761 | Y | A | 0.0970 | |
| 762 | E | A | -1.2088 | |
| 763 | D | A | 0.0000 | |
| 764 | F | A | -0.1337 | |
| 765 | A | A | -0.1483 | |
| 766 | W | A | 0.0000 | |
| 767 | Q | A | 0.0000 | |
| 768 | T | A | 0.0000 | |
| 769 | S | A | 0.0000 | |
| 770 | T | A | -0.4932 | |
| 771 | N | A | -1.0817 | |
| 772 | P | A | 0.0000 | |
| 773 | S | A | -0.1204 | |
| 774 | V | A | 0.0000 | |
| 775 | F | A | 1.2638 | |
| 776 | W | A | 0.0000 | |
| 777 | T | A | -0.3551 | |
| 778 | E | A | -1.0823 | |
| 779 | V | A | -0.5259 | |
| 780 | L | A | 0.0379 | |
| 781 | W | A | 0.1470 | |
| 782 | L | A | 0.0000 | |
| 783 | A | A | -1.2569 | |
| 784 | D | A | -2.8078 | |
| 785 | C | A | 0.0000 | |
| 786 | D | A | -2.4134 | |
| 787 | V | A | 0.0000 | |
| 788 | S | A | -0.6452 | |
| 789 | D | A | -0.7733 | |
| 790 | S | A | -0.7815 | |
| 791 | S | A | 0.0000 | |
| 792 | C | A | 0.0000 | |
| 793 | S | A | -0.3572 | |
| 794 | S | A | -0.5822 | |
| 795 | L | A | 0.0000 | |
| 796 | A | A | 0.0000 | |
| 797 | A | A | 0.1802 | |
| 798 | T | A | 0.0457 | |
| 799 | L | A | 1.0236 | |
| 800 | L | A | 0.8965 | |
| 801 | A | A | 0.4526 | |
| 802 | P | A | 0.4339 | |
| 803 | P | A | 0.4930 | |
| 804 | L | A | 1.2250 | |
| 805 | T | A | 0.0000 | |
| 806 | H | A | -0.0320 | |
| 807 | Q | A | 0.0200 | |
| 808 | V | A | 0.0277 | |
| 809 | M | A | 0.0000 | |
| 810 | Y | A | 0.2671 | |
| 811 | V | A | 0.2846 | |
| 812 | P | A | -0.1532 | |
| 813 | P | A | -0.5619 | |
| 814 | G | A | -0.5451 | |
| 815 | G | A | -0.1743 | |
| 816 | P | A | 0.1480 | |
| 817 | I | A | 0.4360 | |
| 818 | P | A | 0.0000 | |
| 819 | K | A | -1.5483 | |
| 820 | S | A | -1.0757 | |
| 821 | Y | A | -0.0539 | |
| 822 | E | A | -1.5117 | |
| 823 | D | A | -1.0210 | |
| 824 | F | A | -0.0557 | |
| 825 | A | A | -0.0507 | |
| 826 | W | A | 0.0000 | |
| 827 | Q | A | 0.0000 | |
| 828 | T | A | 0.0000 | |
| 829 | S | A | 0.0000 | |
| 830 | T | A | -0.6641 | |
| 831 | N | A | -1.3582 | |
| 832 | P | A | 0.0000 | |
| 833 | S | A | -0.1700 | |
| 834 | V | A | 0.0000 | |
| 835 | F | A | 1.3789 | |
| 836 | W | A | 0.4898 | |
| 837 | T | A | -0.3324 | |
| 838 | E | A | -1.1327 | |
| 839 | E | A | -0.9005 | |
| 840 | L | A | 0.0000 | |
| 841 | D | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | S | A | 0.0000 | |
| 844 | N | A | -1.8617 | |
| 845 | N | A | 0.0000 | |
| 846 | C | A | -0.2196 | |
| 847 | L | A | 0.0000 | |
| 848 | G | A | -0.0074 | |
| 849 | D | A | -1.0252 | |
| 850 | A | A | -0.4581 | |
| 851 | G | A | 0.0000 | |
| 852 | I | A | 0.0000 | |
| 853 | L | A | -0.4786 | |
| 854 | Q | A | -1.0596 | |
| 855 | L | A | 0.0000 | |
| 856 | V | A | -0.6511 | |
| 857 | E | A | -1.8832 | |
| 858 | S | A | 0.0000 | |
| 859 | V | A | 0.2185 | |
| 860 | R | A | -1.4244 | |
| 861 | P | A | -0.1639 | |
| 862 | P | A | 0.4845 | |
| 863 | L | A | 1.1720 | |
| 864 | T | A | 0.5943 | |
| 865 | H | A | 0.1127 | |
| 866 | Q | A | 0.1219 | |
| 867 | V | A | 0.0000 | |
| 868 | M | A | 0.0000 | |
| 869 | Y | A | 0.1348 | |
| 870 | V | A | 0.3375 | |
| 871 | P | A | -0.1055 | |
| 872 | P | A | -0.5546 | |
| 873 | G | A | -0.5144 | |
| 874 | G | A | -0.2051 | |
| 875 | P | A | 0.2449 | |
| 876 | I | A | 0.7930 | |
| 877 | P | A | 0.0000 | |
| 878 | K | A | -1.7310 | |
| 879 | S | A | -1.2138 | |
| 880 | Y | A | -0.3234 | |
| 881 | E | A | -1.4933 | |
| 882 | D | A | -1.0909 | |
| 883 | F | A | -0.2386 | |
| 884 | A | A | -0.2180 | |
| 885 | W | A | 0.0000 | |
| 886 | Q | A | 0.0000 | |
| 887 | T | A | 0.0000 | |
| 888 | S | A | 0.0000 | |
| 889 | T | A | -0.7533 | |
| 890 | N | A | -1.4350 | |
| 891 | P | A | 0.0000 | |
| 892 | S | A | 0.1430 | |
| 893 | V | A | 0.0000 | |
| 894 | F | A | 1.9032 | |
| 895 | W | A | 0.0000 | |
| 896 | T | A | -0.3573 | |
| 897 | E | A | -1.2077 | |
| 898 | Q | A | -1.2802 | |
| 899 | L | A | -0.2258 | |
| 900 | V | A | 0.0000 | |
| 901 | L | A | 0.0000 | |
| 902 | Y | A | 0.0907 | |
| 903 | D | A | -1.4424 | |
| 904 | I | A | 0.0000 | |
| 905 | Y | A | 0.6783 | |
| 906 | W | A | -0.4504 | |
| 907 | S | A | -1.8266 | |
| 908 | E | A | -3.4191 | |
| 909 | E | A | -3.7982 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | -3.0574 | |
| 912 | D | A | -3.7626 | |
| 913 | R | A | -3.0898 | |
| 914 | L | A | 0.0000 | |
| 915 | Q | A | -2.8602 | |
| 916 | A | A | -2.6151 | |
| 917 | L | A | -2.6450 | |
| 918 | E | A | -3.6851 | |
| 919 | K | A | -3.5835 | |
| 920 | D | A | -3.0485 | |
| 921 | P | A | -2.3043 | |
| 922 | P | A | -0.8124 | |
| 923 | L | A | 0.3263 | |
| 924 | T | A | 0.3054 | |
| 925 | H | A | 0.0000 | |
| 926 | Q | A | 0.3343 | |
| 927 | V | A | 0.0536 | |
| 928 | M | A | 0.0000 | |
| 929 | Y | A | -0.1566 | |
| 930 | V | A | 0.0000 | |
| 931 | P | A | -0.3054 | |
| 932 | P | A | -0.6312 | |
| 933 | G | A | -0.5517 | |
| 934 | G | A | -0.2636 | |
| 935 | P | A | 0.0764 | |
| 936 | I | A | 0.7195 | |
| 937 | P | A | 0.0000 | |
| 938 | K | A | -1.5578 | |
| 939 | S | A | -0.9185 | |
| 940 | Y | A | 0.0552 | |
| 941 | E | A | -1.0478 | |
| 942 | D | A | -0.2465 | |
| 943 | F | A | 1.1493 | |
| 944 | A | A | 0.4105 | |
| 945 | W | A | 0.0000 | |
| 946 | Q | A | 0.2520 | |
| 947 | T | A | -0.1766 | |
| 948 | S | A | -0.6086 | |
| 949 | T | A | -0.9193 | |
| 950 | N | A | -1.5323 | |
| 951 | P | A | -0.6750 | |
| 952 | S | A | 0.3691 | |
| 953 | V | A | 1.8347 | |
| 954 | F | A | 2.7609 | |
| 955 | W | A | 1.4048 | |
| 956 | T | A | -0.3519 | |
| 957 | E | A | -2.0824 | |
| 958 | R | A | -2.4789 | |
| 959 | V | A | -0.9908 | |
| 960 | I | A | -0.1718 | |
| 961 | S | A | -0.1119 |
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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, -0.394 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 | -0.394 | View | CSV | PDB |
| model_3 | -0.436 | View | CSV | PDB |
| model_8 | -0.4452 | View | CSV | PDB |
| model_11 | -0.4603 | View | CSV | PDB |
| model_2 | -0.4615 | View | CSV | PDB |
| model_6 | -0.4665 | View | CSV | PDB |
| model_0 | -0.468 | View | CSV | PDB |
| CABS_average | -0.4741 | View | CSV | PDB |
| model_7 | -0.4746 | View | CSV | PDB |
| model_9 | -0.4777 | View | CSV | PDB |
| model_1 | -0.4909 | View | CSV | PDB |
| model_4 | -0.4932 | View | CSV | PDB |
| model_5 | -0.5064 | View | CSV | PDB |
| model_10 | -0.5095 | 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