Project name: C45_E30_EF_GSG
Status: done
Started: 2026-07-21 11:10:51
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGVRLDDCGLTEARCKDISSALRVGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELNLRSNELGDVGVHCVLQGLQGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGKLSLQNCCLTGAGCGVLSSTLRTGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELHLSDNLLGDAGLQLLCEGLLGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGKLQLEYCSLSAASCEPLASVLRAGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELTVSNNDINEAGVRVLCQGLKDGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGALKLESCGVTSDNCRDLCGIVASGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELALGSNKLGDVGMAELCPGLLGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGTLWIWECGITAKGCGDLCRVLRAGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELSLAGNELGDEGARLLCETLLGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGSLWVKSCSFTAACCSHFSSVLAQGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELQISNNRLEDAGVRELCQGLGGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGVLWLADCDVSDSSCSSLAATLLAGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGELDLSNNCLGDAGILQLVESVRGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGQLVLYDIYWSEEMEDRLQALEKDGSGPPLTHQVMYVPPGGPIPKSYEDFAWQTSTNPSVFWTEGSGRVIS
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 (00:11:04)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:34:13)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:34:23)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:34:33)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:34:43)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:34:53)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:35:03)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:35:13)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:35:22)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:35:34)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:35:44)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:35:54)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:36:04)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:36:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:36:36)
[INFO] Main: Simulation completed successfully. (03:36:46)
|
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
- -4.0134
- Maximal score value
- 2.7627
- Average score
- -0.3259
- Total score value
- -344.4258
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 | 0.0870 | |
| 2 | L | A | 0.6113 | |
| 3 | D | A | -1.1615 | |
| 4 | I | A | -0.8404 | |
| 5 | Q | A | -1.4085 | |
| 6 | S | A | -1.3552 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.0671 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -2.3207 | |
| 11 | C | A | -1.3601 | |
| 12 | E | A | -2.4334 | |
| 13 | E | A | -3.0861 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.1048 | |
| 16 | D | A | -2.4953 | |
| 17 | A | A | -1.6053 | |
| 18 | R | A | -2.0508 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4193 | |
| 21 | E | A | -2.1623 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | -0.6803 | |
| 24 | P | A | -0.7261 | |
| 25 | L | A | -0.4685 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.6790 | |
| 28 | G | A | -0.6433 | |
| 29 | S | A | -0.9022 | |
| 30 | G | A | -0.4748 | |
| 31 | P | A | -0.3529 | |
| 32 | P | A | -0.1880 | |
| 33 | L | A | 0.9330 | |
| 34 | T | A | 0.3805 | |
| 35 | H | A | -0.2035 | |
| 36 | Q | A | 0.4262 | |
| 37 | V | A | 1.1707 | |
| 38 | M | A | 0.0000 | |
| 39 | Y | A | 0.6682 | |
| 40 | V | A | 0.0000 | |
| 41 | P | A | -0.1751 | |
| 42 | P | A | -0.5715 | |
| 43 | G | A | -0.5522 | |
| 44 | G | A | -0.2045 | |
| 45 | P | A | 0.1439 | |
| 46 | I | A | 0.5366 | |
| 47 | P | A | 0.0000 | |
| 48 | K | A | -1.4000 | |
| 49 | S | A | -0.6784 | |
| 50 | Y | A | 0.2297 | |
| 51 | E | A | -1.1149 | |
| 52 | D | A | -0.1606 | |
| 53 | F | A | 1.3742 | |
| 54 | A | A | 0.0000 | |
| 55 | W | A | 0.6317 | |
| 56 | Q | A | 0.8701 | |
| 57 | T | A | 0.0000 | |
| 58 | S | A | 0.1163 | |
| 59 | T | A | -0.0468 | |
| 60 | N | A | 0.0000 | |
| 61 | P | A | 0.8416 | |
| 62 | S | A | 1.3011 | |
| 63 | V | A | 2.2273 | |
| 64 | F | A | 0.0000 | |
| 65 | W | A | 1.0613 | |
| 66 | T | A | 0.0000 | |
| 67 | E | A | -1.9881 | |
| 68 | G | A | -1.8241 | |
| 69 | S | A | -1.1351 | |
| 70 | G | A | -1.0763 | |
| 71 | V | A | -0.7999 | |
| 72 | R | A | -1.5888 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | 0.0000 | |
| 75 | D | A | -2.6382 | |
| 76 | C | A | 0.0000 | |
| 77 | G | A | -2.0539 | |
| 78 | L | A | 0.0000 | |
| 79 | T | A | -1.5249 | |
| 80 | E | A | -2.3216 | |
| 81 | A | A | -1.1984 | |
| 82 | R | A | -1.6596 | |
| 83 | C | A | 0.0000 | |
| 84 | K | A | -2.5649 | |
| 85 | D | A | -1.6617 | |
| 86 | I | A | 0.0000 | |
| 87 | S | A | -1.4333 | |
| 88 | S | A | -1.1206 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | -0.8519 | |
| 91 | R | A | -1.4713 | |
| 92 | V | A | 0.3905 | |
| 93 | G | A | -0.4240 | |
| 94 | S | A | -0.7098 | |
| 95 | G | A | -0.2928 | |
| 96 | P | A | 0.0909 | |
| 97 | P | A | 0.1792 | |
| 98 | L | A | 1.2966 | |
| 99 | T | A | 0.7153 | |
| 100 | H | A | 0.4563 | |
| 101 | Q | A | 0.5850 | |
| 102 | V | A | 0.0000 | |
| 103 | M | A | 0.0000 | |
| 104 | Y | A | 0.7685 | |
| 105 | V | A | 0.0000 | |
| 106 | P | A | -0.0911 | |
| 107 | P | A | -0.4809 | |
| 108 | G | A | -0.5419 | |
| 109 | G | A | -0.1359 | |
| 110 | P | A | -0.0205 | |
| 111 | I | A | 0.6988 | |
| 112 | P | A | 0.0000 | |
| 113 | K | A | -1.1104 | |
| 114 | S | A | -0.3925 | |
| 115 | Y | A | 0.3463 | |
| 116 | E | A | -1.2960 | |
| 117 | D | A | -1.0002 | |
| 118 | F | A | -0.0549 | |
| 119 | A | A | -0.0220 | |
| 120 | W | A | 0.1804 | |
| 121 | Q | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | S | A | -0.0767 | |
| 124 | T | A | -0.0074 | |
| 125 | N | A | 0.0000 | |
| 126 | P | A | 0.5836 | |
| 127 | S | A | 1.2898 | |
| 128 | V | A | 2.1584 | |
| 129 | F | A | 0.0000 | |
| 130 | W | A | 1.0741 | |
| 131 | T | A | -0.2124 | |
| 132 | E | A | -1.1414 | |
| 133 | G | A | -1.5730 | |
| 134 | S | A | -1.5214 | |
| 135 | G | A | -1.1578 | |
| 136 | E | A | -1.1415 | |
| 137 | L | A | 0.0000 | |
| 138 | N | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -1.6942 | |
| 141 | S | A | -1.7134 | |
| 142 | N | A | 0.0000 | |
| 143 | E | A | -2.5563 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | -0.6590 | |
| 146 | D | A | -0.1238 | |
| 147 | V | A | 0.8929 | |
| 148 | G | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | H | A | -0.8810 | |
| 151 | C | A | -1.0835 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.9461 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | -0.9289 | |
| 157 | Q | A | -1.6154 | |
| 158 | G | A | -1.2168 | |
| 159 | S | A | -1.1402 | |
| 160 | G | A | -0.9429 | |
| 161 | P | A | -0.1769 | |
| 162 | P | A | 0.1917 | |
| 163 | L | A | 1.4473 | |
| 164 | T | A | 0.5763 | |
| 165 | H | A | 0.2914 | |
| 166 | Q | A | 0.4821 | |
| 167 | V | A | 0.0000 | |
| 168 | M | A | 0.0000 | |
| 169 | Y | A | 0.7043 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.1982 | |
| 172 | P | A | -0.5020 | |
| 173 | G | A | -0.6059 | |
| 174 | G | A | -0.2986 | |
| 175 | P | A | -0.1539 | |
| 176 | I | A | 0.2231 | |
| 177 | P | A | 0.0000 | |
| 178 | K | A | -1.4967 | |
| 179 | S | A | -0.9384 | |
| 180 | Y | A | -0.0142 | |
| 181 | E | A | -1.2113 | |
| 182 | D | A | -0.8804 | |
| 183 | F | A | 0.4697 | |
| 184 | A | A | 0.0000 | |
| 185 | W | A | 0.3057 | |
| 186 | Q | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | S | A | -0.1374 | |
| 189 | T | A | -0.1232 | |
| 190 | N | A | 0.0000 | |
| 191 | P | A | 0.5192 | |
| 192 | S | A | 1.2344 | |
| 193 | V | A | 2.0611 | |
| 194 | F | A | 0.0000 | |
| 195 | W | A | 0.5939 | |
| 196 | T | A | 0.0356 | |
| 197 | E | A | -0.9363 | |
| 198 | G | A | -1.2490 | |
| 199 | S | A | -1.2965 | |
| 200 | G | A | -1.2957 | |
| 201 | K | A | -1.3050 | |
| 202 | L | A | -0.5923 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -0.9004 | |
| 206 | N | A | -1.4011 | |
| 207 | C | A | 0.0000 | |
| 208 | C | A | -0.0854 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | 0.5377 | |
| 211 | G | A | 0.1502 | |
| 212 | A | A | 0.3620 | |
| 213 | G | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | G | A | -0.2448 | |
| 216 | V | A | 0.1643 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | -0.5289 | |
| 219 | S | A | -0.8131 | |
| 220 | T | A | -1.0658 | |
| 221 | L | A | -0.9560 | |
| 222 | R | A | -2.2507 | |
| 223 | T | A | -1.5588 | |
| 224 | G | A | -1.4460 | |
| 225 | S | A | -1.3653 | |
| 226 | G | A | -1.0151 | |
| 227 | P | A | -0.0235 | |
| 228 | P | A | 0.2716 | |
| 229 | L | A | 1.4740 | |
| 230 | T | A | 0.6805 | |
| 231 | H | A | 0.3643 | |
| 232 | Q | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | M | A | 0.0000 | |
| 235 | Y | A | 0.9202 | |
| 236 | V | A | 0.0000 | |
| 237 | P | A | -0.2085 | |
| 238 | P | A | -0.5023 | |
| 239 | G | A | -0.6265 | |
| 240 | G | A | -0.3463 | |
| 241 | P | A | -0.3245 | |
| 242 | I | A | 0.0761 | |
| 243 | P | A | 0.0000 | |
| 244 | K | A | -1.5359 | |
| 245 | S | A | -1.0414 | |
| 246 | Y | A | -0.0713 | |
| 247 | E | A | -1.5611 | |
| 248 | D | A | -1.2801 | |
| 249 | F | A | -0.1398 | |
| 250 | A | A | -0.0748 | |
| 251 | W | A | 0.0999 | |
| 252 | Q | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | S | A | -0.1393 | |
| 255 | T | A | -0.1628 | |
| 256 | N | A | 0.0000 | |
| 257 | P | A | 0.6382 | |
| 258 | S | A | 1.2942 | |
| 259 | V | A | 2.2250 | |
| 260 | F | A | 0.0000 | |
| 261 | W | A | 0.8546 | |
| 262 | T | A | 0.0000 | |
| 263 | E | A | -0.6757 | |
| 264 | G | A | -1.0853 | |
| 265 | S | A | -1.2870 | |
| 266 | G | A | -1.2991 | |
| 267 | E | A | -1.5390 | |
| 268 | L | A | 0.0000 | |
| 269 | H | A | -0.8357 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | D | A | -0.4695 | |
| 273 | N | A | 0.0000 | |
| 274 | L | A | 1.4559 | |
| 275 | L | A | 0.0000 | |
| 276 | G | A | 0.0413 | |
| 277 | D | A | -0.5836 | |
| 278 | A | A | -0.3126 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | Q | A | -1.0290 | |
| 282 | L | A | -0.1704 | |
| 283 | L | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | E | A | -1.4355 | |
| 286 | G | A | 0.0000 | |
| 287 | L | A | -0.1681 | |
| 288 | L | A | -0.1319 | |
| 289 | G | A | -0.9190 | |
| 290 | S | A | -1.1644 | |
| 291 | G | A | -0.7287 | |
| 292 | P | A | -0.1293 | |
| 293 | P | A | 0.0647 | |
| 294 | L | A | 1.4511 | |
| 295 | T | A | 0.5403 | |
| 296 | H | A | 0.2525 | |
| 297 | Q | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | M | A | 0.0000 | |
| 300 | Y | A | 0.7314 | |
| 301 | V | A | 0.0000 | |
| 302 | P | A | -0.2446 | |
| 303 | P | A | -0.5067 | |
| 304 | G | A | -0.6259 | |
| 305 | G | A | -0.3111 | |
| 306 | P | A | -0.1553 | |
| 307 | I | A | 0.1608 | |
| 308 | P | A | 0.0000 | |
| 309 | K | A | -1.4646 | |
| 310 | S | A | -0.7761 | |
| 311 | Y | A | 0.2536 | |
| 312 | E | A | -1.2775 | |
| 313 | D | A | -0.8016 | |
| 314 | F | A | 0.5175 | |
| 315 | A | A | 0.0000 | |
| 316 | W | A | 0.2336 | |
| 317 | Q | A | 0.3126 | |
| 318 | T | A | 0.0000 | |
| 319 | S | A | 0.0000 | |
| 320 | T | A | -0.1099 | |
| 321 | N | A | 0.0000 | |
| 322 | P | A | 0.3722 | |
| 323 | S | A | 0.8157 | |
| 324 | V | A | 1.2562 | |
| 325 | F | A | 0.0000 | |
| 326 | W | A | 0.3421 | |
| 327 | T | A | -0.0169 | |
| 328 | E | A | -0.8382 | |
| 329 | G | A | -1.0744 | |
| 330 | S | A | -1.2758 | |
| 331 | G | A | -1.4492 | |
| 332 | K | A | -1.7497 | |
| 333 | L | A | -0.9176 | |
| 334 | Q | A | -0.6842 | |
| 335 | L | A | 0.0000 | |
| 336 | E | A | -0.1031 | |
| 337 | Y | A | 0.6058 | |
| 338 | C | A | 0.0000 | |
| 339 | S | A | -0.0984 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -1.0030 | |
| 342 | A | A | -1.2384 | |
| 343 | A | A | -0.5896 | |
| 344 | S | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | E | A | -1.8785 | |
| 347 | P | A | -1.2702 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | S | A | -1.2050 | |
| 351 | V | A | -0.5479 | |
| 352 | L | A | -1.2827 | |
| 353 | R | A | -2.4045 | |
| 354 | A | A | -1.0334 | |
| 355 | G | A | -1.0290 | |
| 356 | S | A | -1.4777 | |
| 357 | G | A | -1.1097 | |
| 358 | P | A | -0.1774 | |
| 359 | P | A | 0.0041 | |
| 360 | L | A | 1.3065 | |
| 361 | T | A | 0.5197 | |
| 362 | H | A | 0.0913 | |
| 363 | Q | A | 0.2241 | |
| 364 | V | A | 0.0000 | |
| 365 | M | A | 0.0000 | |
| 366 | Y | A | 0.6811 | |
| 367 | V | A | 0.0000 | |
| 368 | P | A | -0.1819 | |
| 369 | P | A | -0.5276 | |
| 370 | G | A | -0.5693 | |
| 371 | G | A | 0.0000 | |
| 372 | P | A | -0.1320 | |
| 373 | I | A | 0.1788 | |
| 374 | P | A | 0.0000 | |
| 375 | K | A | -1.3714 | |
| 376 | S | A | -0.6217 | |
| 377 | Y | A | 0.2900 | |
| 378 | E | A | -1.2181 | |
| 379 | D | A | -0.8937 | |
| 380 | F | A | 0.4568 | |
| 381 | A | A | 0.0000 | |
| 382 | W | A | 0.1915 | |
| 383 | Q | A | 0.3544 | |
| 384 | T | A | 0.0000 | |
| 385 | S | A | 0.0000 | |
| 386 | T | A | -0.0716 | |
| 387 | N | A | 0.0000 | |
| 388 | P | A | 0.6774 | |
| 389 | S | A | 0.9319 | |
| 390 | V | A | 1.4133 | |
| 391 | F | A | 0.0000 | |
| 392 | W | A | 0.4499 | |
| 393 | T | A | -0.1023 | |
| 394 | E | A | -0.7887 | |
| 395 | G | A | -1.0741 | |
| 396 | S | A | -1.2409 | |
| 397 | G | A | -1.3800 | |
| 398 | E | A | -1.7562 | |
| 399 | L | A | 0.0000 | |
| 400 | T | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | N | A | -0.5785 | |
| 404 | N | A | 0.0000 | |
| 405 | D | A | -2.1682 | |
| 406 | I | A | 0.0000 | |
| 407 | N | A | -2.0928 | |
| 408 | E | A | -2.3678 | |
| 409 | A | A | -1.2107 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | R | A | -2.7821 | |
| 413 | V | A | -1.5858 | |
| 414 | L | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | Q | A | -2.6008 | |
| 417 | G | A | 0.0000 | |
| 418 | L | A | -1.4219 | |
| 419 | K | A | -2.3005 | |
| 420 | D | A | -2.7672 | |
| 421 | G | A | 0.0000 | |
| 422 | S | A | -1.6826 | |
| 423 | G | A | -1.1626 | |
| 424 | P | A | -0.3226 | |
| 425 | P | A | -0.1367 | |
| 426 | L | A | 1.0591 | |
| 427 | T | A | 0.4963 | |
| 428 | H | A | 0.3217 | |
| 429 | Q | A | 0.0000 | |
| 430 | V | A | 0.0000 | |
| 431 | M | A | 0.0000 | |
| 432 | Y | A | 0.9332 | |
| 433 | V | A | 0.0000 | |
| 434 | P | A | -0.1790 | |
| 435 | P | A | -0.4929 | |
| 436 | G | A | -0.6075 | |
| 437 | G | A | -0.3029 | |
| 438 | P | A | -0.2901 | |
| 439 | I | A | 0.1085 | |
| 440 | P | A | 0.0000 | |
| 441 | K | A | -1.4361 | |
| 442 | S | A | -0.8087 | |
| 443 | Y | A | 0.0542 | |
| 444 | E | A | -1.3883 | |
| 445 | D | A | -1.2524 | |
| 446 | F | A | -0.2288 | |
| 447 | A | A | 0.0000 | |
| 448 | W | A | 0.0446 | |
| 449 | Q | A | 0.3101 | |
| 450 | T | A | 0.0000 | |
| 451 | S | A | 0.0000 | |
| 452 | T | A | -0.1716 | |
| 453 | N | A | 0.0000 | |
| 454 | P | A | 0.7124 | |
| 455 | S | A | 0.0000 | |
| 456 | V | A | 2.2617 | |
| 457 | F | A | 0.0000 | |
| 458 | W | A | 0.6301 | |
| 459 | T | A | -0.1034 | |
| 460 | E | A | -0.9713 | |
| 461 | G | A | -1.1359 | |
| 462 | S | A | -1.2342 | |
| 463 | G | A | -1.1726 | |
| 464 | A | A | -1.1333 | |
| 465 | L | A | -0.6441 | |
| 466 | K | A | -0.8091 | |
| 467 | L | A | 0.0000 | |
| 468 | E | A | 0.0000 | |
| 469 | S | A | -1.0369 | |
| 470 | C | A | 0.0000 | |
| 471 | G | A | -1.6477 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.6344 | |
| 474 | S | A | -1.4634 | |
| 475 | D | A | -2.7625 | |
| 476 | N | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | R | A | -2.8357 | |
| 479 | D | A | -2.2503 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | -0.7682 | |
| 482 | G | A | -0.9371 | |
| 483 | I | A | -0.6128 | |
| 484 | V | A | -0.3153 | |
| 485 | A | A | -0.2071 | |
| 486 | S | A | -0.6879 | |
| 487 | G | A | -0.9835 | |
| 488 | S | A | -0.6354 | |
| 489 | G | A | -0.4091 | |
| 490 | P | A | 0.1164 | |
| 491 | P | A | 0.2052 | |
| 492 | L | A | 1.4229 | |
| 493 | T | A | 0.6812 | |
| 494 | H | A | 0.3558 | |
| 495 | Q | A | 0.4380 | |
| 496 | V | A | 0.0000 | |
| 497 | M | A | 0.0000 | |
| 498 | Y | A | 0.7921 | |
| 499 | V | A | 0.0000 | |
| 500 | P | A | -0.2124 | |
| 501 | P | A | -0.4894 | |
| 502 | G | A | -0.6279 | |
| 503 | G | A | -0.3125 | |
| 504 | P | A | -0.2358 | |
| 505 | I | A | -0.0134 | |
| 506 | P | A | 0.0000 | |
| 507 | K | A | -1.6192 | |
| 508 | S | A | -1.0257 | |
| 509 | Y | A | -0.0926 | |
| 510 | E | A | -1.4024 | |
| 511 | D | A | -1.3108 | |
| 512 | F | A | -0.2184 | |
| 513 | A | A | 0.0000 | |
| 514 | W | A | -0.0447 | |
| 515 | Q | A | 0.2658 | |
| 516 | T | A | 0.0000 | |
| 517 | S | A | 0.0000 | |
| 518 | T | A | -0.0805 | |
| 519 | N | A | 0.0000 | |
| 520 | P | A | 0.6288 | |
| 521 | S | A | 1.1421 | |
| 522 | V | A | 1.9055 | |
| 523 | F | A | 0.0000 | |
| 524 | W | A | 0.7818 | |
| 525 | T | A | 0.0277 | |
| 526 | E | A | -0.7432 | |
| 527 | G | A | -1.0663 | |
| 528 | S | A | -1.0998 | |
| 529 | G | A | -1.0653 | |
| 530 | E | A | -1.2340 | |
| 531 | L | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | S | A | -1.1941 | |
| 536 | N | A | 0.0000 | |
| 537 | K | A | -2.2502 | |
| 538 | L | A | 0.0000 | |
| 539 | G | A | -0.7728 | |
| 540 | D | A | -0.5076 | |
| 541 | V | A | 0.7223 | |
| 542 | G | A | 0.0000 | |
| 543 | M | A | 0.0000 | |
| 544 | A | A | -0.4345 | |
| 545 | E | A | -1.1165 | |
| 546 | L | A | 0.0000 | |
| 547 | C | A | 0.0000 | |
| 548 | P | A | -0.7318 | |
| 549 | G | A | 0.0000 | |
| 550 | L | A | 0.1370 | |
| 551 | L | A | -0.3299 | |
| 552 | G | A | -0.3844 | |
| 553 | S | A | -0.4261 | |
| 554 | G | A | -0.1974 | |
| 555 | P | A | 0.0858 | |
| 556 | P | A | 0.3245 | |
| 557 | L | A | 1.3927 | |
| 558 | T | A | 0.6043 | |
| 559 | H | A | 0.2502 | |
| 560 | Q | A | 0.3717 | |
| 561 | V | A | 0.0000 | |
| 562 | M | A | 0.0000 | |
| 563 | Y | A | 0.6246 | |
| 564 | V | A | 0.0000 | |
| 565 | P | A | -0.2448 | |
| 566 | P | A | -0.5647 | |
| 567 | G | A | -0.6355 | |
| 568 | G | A | -0.3300 | |
| 569 | P | A | -0.2145 | |
| 570 | I | A | 0.0778 | |
| 571 | P | A | 0.0000 | |
| 572 | K | A | -1.4819 | |
| 573 | S | A | -0.8607 | |
| 574 | Y | A | 0.0582 | |
| 575 | E | A | -1.1665 | |
| 576 | D | A | -0.8159 | |
| 577 | F | A | 0.6188 | |
| 578 | A | A | 0.0000 | |
| 579 | W | A | 0.2705 | |
| 580 | Q | A | 0.5488 | |
| 581 | T | A | 0.0000 | |
| 582 | S | A | -0.0627 | |
| 583 | T | A | -0.1429 | |
| 584 | N | A | 0.0000 | |
| 585 | P | A | 0.6201 | |
| 586 | S | A | 0.0000 | |
| 587 | V | A | 1.9563 | |
| 588 | F | A | 0.0000 | |
| 589 | W | A | 0.7474 | |
| 590 | T | A | 0.0000 | |
| 591 | E | A | -0.6673 | |
| 592 | G | A | -1.0412 | |
| 593 | S | A | -1.1094 | |
| 594 | G | A | -1.0224 | |
| 595 | T | A | -0.7112 | |
| 596 | L | A | -0.1367 | |
| 597 | W | A | -0.0473 | |
| 598 | I | A | 0.0000 | |
| 599 | W | A | -0.6421 | |
| 600 | E | A | -2.3316 | |
| 601 | C | A | 0.0000 | |
| 602 | G | A | -1.9261 | |
| 603 | I | A | 0.0000 | |
| 604 | T | A | -1.6460 | |
| 605 | A | A | -1.8735 | |
| 606 | K | A | -1.9823 | |
| 607 | G | A | 0.0000 | |
| 608 | C | A | 0.0000 | |
| 609 | G | A | -1.7647 | |
| 610 | D | A | -1.8334 | |
| 611 | L | A | 0.0000 | |
| 612 | C | A | 0.0000 | |
| 613 | R | A | -2.6901 | |
| 614 | V | A | 0.0000 | |
| 615 | L | A | -1.3558 | |
| 616 | R | A | -2.5727 | |
| 617 | A | A | -1.4387 | |
| 618 | G | A | -1.1559 | |
| 619 | S | A | -1.0760 | |
| 620 | G | A | -0.7250 | |
| 621 | P | A | -0.2675 | |
| 622 | P | A | 0.2538 | |
| 623 | L | A | 1.3229 | |
| 624 | T | A | 0.4776 | |
| 625 | H | A | 0.2168 | |
| 626 | Q | A | 0.2629 | |
| 627 | V | A | 0.0000 | |
| 628 | M | A | 0.0000 | |
| 629 | Y | A | 0.5392 | |
| 630 | V | A | 0.0000 | |
| 631 | P | A | -0.2003 | |
| 632 | P | A | -0.5519 | |
| 633 | G | A | -0.5927 | |
| 634 | G | A | -0.2474 | |
| 635 | P | A | 0.0327 | |
| 636 | I | A | 0.5042 | |
| 637 | P | A | 0.0000 | |
| 638 | K | A | -1.3214 | |
| 639 | S | A | -0.8428 | |
| 640 | Y | A | 0.0764 | |
| 641 | E | A | -1.2253 | |
| 642 | D | A | -0.8597 | |
| 643 | F | A | 0.4231 | |
| 644 | A | A | 0.0000 | |
| 645 | W | A | 0.4268 | |
| 646 | Q | A | 0.0000 | |
| 647 | T | A | 0.0000 | |
| 648 | S | A | 0.0078 | |
| 649 | T | A | -0.0142 | |
| 650 | N | A | 0.0000 | |
| 651 | P | A | 0.6045 | |
| 652 | S | A | 0.8427 | |
| 653 | V | A | 1.3761 | |
| 654 | F | A | 0.0000 | |
| 655 | W | A | 0.5302 | |
| 656 | T | A | -0.1242 | |
| 657 | E | A | -0.9115 | |
| 658 | G | A | -1.1139 | |
| 659 | S | A | -1.0579 | |
| 660 | G | A | -0.8882 | |
| 661 | E | A | -0.7105 | |
| 662 | L | A | 0.0000 | |
| 663 | S | A | 0.0000 | |
| 664 | L | A | 0.0000 | |
| 665 | A | A | -0.8638 | |
| 666 | G | A | -1.5806 | |
| 667 | N | A | 0.0000 | |
| 668 | E | A | -2.3868 | |
| 669 | L | A | 0.0000 | |
| 670 | G | A | -1.4846 | |
| 671 | D | A | -1.6266 | |
| 672 | E | A | -1.9436 | |
| 673 | G | A | 0.0000 | |
| 674 | A | A | 0.0000 | |
| 675 | R | A | -1.6962 | |
| 676 | L | A | -1.4914 | |
| 677 | L | A | 0.0000 | |
| 678 | C | A | 0.0000 | |
| 679 | E | A | -1.8998 | |
| 680 | T | A | 0.0000 | |
| 681 | L | A | -0.5411 | |
| 682 | L | A | -0.5302 | |
| 683 | G | A | -0.9794 | |
| 684 | S | A | -0.9951 | |
| 685 | G | A | -0.4669 | |
| 686 | P | A | -0.4480 | |
| 687 | P | A | -0.1818 | |
| 688 | L | A | 0.7238 | |
| 689 | T | A | 0.3279 | |
| 690 | H | A | 0.0472 | |
| 691 | Q | A | 0.2791 | |
| 692 | V | A | 0.0000 | |
| 693 | M | A | 0.0000 | |
| 694 | Y | A | 0.8089 | |
| 695 | V | A | 0.0000 | |
| 696 | P | A | -0.1886 | |
| 697 | P | A | -0.5498 | |
| 698 | G | A | -0.5809 | |
| 699 | G | A | -0.2619 | |
| 700 | P | A | -0.0817 | |
| 701 | I | A | 0.3105 | |
| 702 | P | A | 0.0000 | |
| 703 | K | A | -1.3543 | |
| 704 | S | A | -0.8377 | |
| 705 | Y | A | 0.0669 | |
| 706 | E | A | -1.2392 | |
| 707 | D | A | -0.8862 | |
| 708 | F | A | 0.2967 | |
| 709 | A | A | 0.0000 | |
| 710 | W | A | 0.3690 | |
| 711 | Q | A | 0.0000 | |
| 712 | T | A | 0.0000 | |
| 713 | S | A | -0.0105 | |
| 714 | T | A | -0.0899 | |
| 715 | N | A | 0.0000 | |
| 716 | P | A | 0.6915 | |
| 717 | S | A | 0.0000 | |
| 718 | V | A | 1.5919 | |
| 719 | F | A | 0.0000 | |
| 720 | W | A | 0.3998 | |
| 721 | T | A | -0.0911 | |
| 722 | E | A | -0.7778 | |
| 723 | G | A | -1.1174 | |
| 724 | S | A | -1.1254 | |
| 725 | G | A | -0.9711 | |
| 726 | S | A | -0.5270 | |
| 727 | L | A | -0.1387 | |
| 728 | W | A | 0.1269 | |
| 729 | V | A | 0.0000 | |
| 730 | K | A | -0.7764 | |
| 731 | S | A | -1.6669 | |
| 732 | C | A | 0.0000 | |
| 733 | S | A | -1.5460 | |
| 734 | F | A | 0.0000 | |
| 735 | T | A | -1.1420 | |
| 736 | A | A | -1.1732 | |
| 737 | A | A | -0.7929 | |
| 738 | C | A | 0.0000 | |
| 739 | C | A | 0.0000 | |
| 740 | S | A | -0.8458 | |
| 741 | H | A | -0.8414 | |
| 742 | F | A | 0.0000 | |
| 743 | S | A | -0.9593 | |
| 744 | S | A | -0.6863 | |
| 745 | V | A | -0.3609 | |
| 746 | L | A | -0.5127 | |
| 747 | A | A | -0.9086 | |
| 748 | Q | A | -1.3321 | |
| 749 | G | A | -1.1220 | |
| 750 | S | A | -1.0036 | |
| 751 | G | A | -0.6629 | |
| 752 | P | A | -0.0449 | |
| 753 | P | A | 0.2121 | |
| 754 | L | A | 1.5331 | |
| 755 | T | A | 0.7436 | |
| 756 | H | A | 0.3463 | |
| 757 | Q | A | 0.3647 | |
| 758 | V | A | 0.0000 | |
| 759 | M | A | 0.0000 | |
| 760 | Y | A | 0.8304 | |
| 761 | V | A | 0.0000 | |
| 762 | P | A | -0.1608 | |
| 763 | P | A | -0.4970 | |
| 764 | G | A | -0.5953 | |
| 765 | G | A | -0.2757 | |
| 766 | P | A | -0.1072 | |
| 767 | I | A | 0.2282 | |
| 768 | P | A | 0.0000 | |
| 769 | K | A | -1.3772 | |
| 770 | S | A | -0.8494 | |
| 771 | Y | A | 0.0851 | |
| 772 | E | A | -1.1610 | |
| 773 | D | A | -0.7645 | |
| 774 | F | A | 0.7014 | |
| 775 | A | A | 0.0000 | |
| 776 | W | A | 0.3190 | |
| 777 | Q | A | 0.6344 | |
| 778 | T | A | 0.0000 | |
| 779 | S | A | 0.0000 | |
| 780 | T | A | -0.0872 | |
| 781 | N | A | 0.0000 | |
| 782 | P | A | 0.5498 | |
| 783 | S | A | 0.9343 | |
| 784 | V | A | 1.4071 | |
| 785 | F | A | 0.0000 | |
| 786 | W | A | 0.5534 | |
| 787 | T | A | 0.0000 | |
| 788 | E | A | -0.5948 | |
| 789 | G | A | -1.0180 | |
| 790 | S | A | -0.9859 | |
| 791 | G | A | -0.8960 | |
| 792 | E | A | -0.5415 | |
| 793 | L | A | 0.0000 | |
| 794 | Q | A | 0.0000 | |
| 795 | I | A | 0.0000 | |
| 796 | S | A | 0.0000 | |
| 797 | N | A | -2.2089 | |
| 798 | N | A | 0.0000 | |
| 799 | R | A | -3.0113 | |
| 800 | L | A | 0.0000 | |
| 801 | E | A | -2.7086 | |
| 802 | D | A | -1.9501 | |
| 803 | A | A | -1.1465 | |
| 804 | G | A | 0.0000 | |
| 805 | V | A | 0.0000 | |
| 806 | R | A | -2.1573 | |
| 807 | E | A | -1.9791 | |
| 808 | L | A | 0.0000 | |
| 809 | C | A | 0.0000 | |
| 810 | Q | A | -2.0243 | |
| 811 | G | A | 0.0000 | |
| 812 | L | A | -1.0498 | |
| 813 | G | A | -1.1577 | |
| 814 | G | A | -1.2222 | |
| 815 | S | A | -0.9706 | |
| 816 | G | A | -0.6596 | |
| 817 | P | A | -0.1405 | |
| 818 | P | A | 0.2240 | |
| 819 | L | A | 1.2791 | |
| 820 | T | A | 0.6200 | |
| 821 | H | A | 0.2625 | |
| 822 | Q | A | 0.3663 | |
| 823 | V | A | 0.0000 | |
| 824 | M | A | 0.0000 | |
| 825 | Y | A | 0.9168 | |
| 826 | V | A | 0.0000 | |
| 827 | P | A | -0.1800 | |
| 828 | P | A | -0.4943 | |
| 829 | G | A | -0.6180 | |
| 830 | G | A | -0.3004 | |
| 831 | P | A | -0.3072 | |
| 832 | I | A | 0.0892 | |
| 833 | P | A | 0.0000 | |
| 834 | K | A | -1.3998 | |
| 835 | S | A | -0.8382 | |
| 836 | Y | A | 0.0278 | |
| 837 | E | A | -1.5491 | |
| 838 | D | A | -1.2921 | |
| 839 | F | A | -0.1032 | |
| 840 | A | A | 0.0000 | |
| 841 | W | A | -0.0627 | |
| 842 | Q | A | 0.4831 | |
| 843 | T | A | 0.0000 | |
| 844 | S | A | 0.2497 | |
| 845 | T | A | 0.0944 | |
| 846 | N | A | 0.0000 | |
| 847 | P | A | 0.5466 | |
| 848 | S | A | 1.0893 | |
| 849 | V | A | 1.7486 | |
| 850 | F | A | 0.0000 | |
| 851 | W | A | 0.6172 | |
| 852 | T | A | 0.0833 | |
| 853 | E | A | -0.7228 | |
| 854 | G | A | -0.9917 | |
| 855 | S | A | -0.9183 | |
| 856 | G | A | -0.7213 | |
| 857 | V | A | -0.0904 | |
| 858 | L | A | 0.0000 | |
| 859 | W | A | 0.1258 | |
| 860 | L | A | 0.0000 | |
| 861 | A | A | 0.0000 | |
| 862 | D | A | -2.0174 | |
| 863 | C | A | 0.0000 | |
| 864 | D | A | -2.4154 | |
| 865 | V | A | 0.0000 | |
| 866 | S | A | -0.8225 | |
| 867 | D | A | -1.0304 | |
| 868 | S | A | -0.9893 | |
| 869 | S | A | 0.0000 | |
| 870 | C | A | 0.0000 | |
| 871 | S | A | -0.6477 | |
| 872 | S | A | -0.8201 | |
| 873 | L | A | 0.0000 | |
| 874 | A | A | 0.0000 | |
| 875 | A | A | 0.2473 | |
| 876 | T | A | -0.0505 | |
| 877 | L | A | 0.4060 | |
| 878 | L | A | 0.5080 | |
| 879 | A | A | 0.0278 | |
| 880 | G | A | -0.5527 | |
| 881 | S | A | -0.4524 | |
| 882 | G | A | 0.0156 | |
| 883 | P | A | 0.1746 | |
| 884 | P | A | 0.2856 | |
| 885 | L | A | 1.5953 | |
| 886 | T | A | 0.7648 | |
| 887 | H | A | 0.6030 | |
| 888 | Q | A | 0.6127 | |
| 889 | V | A | 0.0000 | |
| 890 | M | A | 0.0000 | |
| 891 | Y | A | 1.0144 | |
| 892 | V | A | 0.0000 | |
| 893 | P | A | -0.0456 | |
| 894 | P | A | -0.4965 | |
| 895 | G | A | -0.4296 | |
| 896 | G | A | 0.0334 | |
| 897 | P | A | 0.3874 | |
| 898 | I | A | 1.3600 | |
| 899 | P | A | 0.0000 | |
| 900 | K | A | -1.2417 | |
| 901 | S | A | -0.5297 | |
| 902 | Y | A | 0.1585 | |
| 903 | E | A | -1.4142 | |
| 904 | D | A | -0.6535 | |
| 905 | F | A | 0.2314 | |
| 906 | A | A | 0.3971 | |
| 907 | W | A | 0.0000 | |
| 908 | Q | A | 0.5287 | |
| 909 | T | A | 0.0000 | |
| 910 | S | A | 0.0148 | |
| 911 | T | A | 0.0339 | |
| 912 | N | A | 0.0000 | |
| 913 | P | A | 0.7456 | |
| 914 | S | A | 1.3557 | |
| 915 | V | A | 2.3810 | |
| 916 | F | A | 0.0000 | |
| 917 | W | A | 0.8740 | |
| 918 | T | A | 0.0000 | |
| 919 | E | A | -0.6202 | |
| 920 | G | A | -0.8174 | |
| 921 | S | A | -0.8842 | |
| 922 | G | A | -0.6483 | |
| 923 | E | A | -0.4813 | |
| 924 | L | A | 0.0000 | |
| 925 | D | A | 0.0000 | |
| 926 | L | A | 0.0000 | |
| 927 | S | A | 0.0000 | |
| 928 | N | A | -1.1037 | |
| 929 | N | A | 0.0000 | |
| 930 | C | A | 0.0675 | |
| 931 | L | A | 0.0000 | |
| 932 | G | A | -0.1279 | |
| 933 | D | A | -0.9217 | |
| 934 | A | A | -0.5347 | |
| 935 | G | A | 0.0000 | |
| 936 | I | A | 0.0000 | |
| 937 | L | A | -0.8342 | |
| 938 | Q | A | -1.2284 | |
| 939 | L | A | 0.0000 | |
| 940 | V | A | 0.0000 | |
| 941 | E | A | -2.4599 | |
| 942 | S | A | 0.0000 | |
| 943 | V | A | -1.3510 | |
| 944 | R | A | -2.5262 | |
| 945 | G | A | -1.6301 | |
| 946 | S | A | -1.2346 | |
| 947 | G | A | -0.8622 | |
| 948 | P | A | -0.6154 | |
| 949 | P | A | -0.1085 | |
| 950 | L | A | 1.0575 | |
| 951 | T | A | 0.2869 | |
| 952 | H | A | 0.4948 | |
| 953 | Q | A | 0.6956 | |
| 954 | V | A | 0.0000 | |
| 955 | M | A | 0.0000 | |
| 956 | Y | A | 0.7301 | |
| 957 | V | A | 0.0000 | |
| 958 | P | A | -0.1338 | |
| 959 | P | A | -0.4934 | |
| 960 | G | A | -0.5467 | |
| 961 | G | A | -0.1845 | |
| 962 | P | A | -0.0021 | |
| 963 | I | A | 0.5777 | |
| 964 | P | A | 0.0000 | |
| 965 | K | A | -1.3455 | |
| 966 | S | A | -0.6047 | |
| 967 | Y | A | 0.2102 | |
| 968 | E | A | -1.3456 | |
| 969 | D | A | -0.6409 | |
| 970 | F | A | 0.2738 | |
| 971 | A | A | 0.3035 | |
| 972 | W | A | 0.2052 | |
| 973 | Q | A | 0.5221 | |
| 974 | T | A | 0.0000 | |
| 975 | S | A | 0.0222 | |
| 976 | T | A | -0.0560 | |
| 977 | N | A | 0.0000 | |
| 978 | P | A | 0.5451 | |
| 979 | S | A | 1.4398 | |
| 980 | V | A | 2.6792 | |
| 981 | F | A | 1.7792 | |
| 982 | W | A | 0.7115 | |
| 983 | T | A | 0.0000 | |
| 984 | E | A | -1.2329 | |
| 985 | G | A | 0.0000 | |
| 986 | S | A | -1.1963 | |
| 987 | G | A | -0.9734 | |
| 988 | Q | A | -0.6383 | |
| 989 | L | A | 0.0000 | |
| 990 | V | A | 0.5636 | |
| 991 | L | A | 0.0000 | |
| 992 | Y | A | 0.6982 | |
| 993 | D | A | -0.9671 | |
| 994 | I | A | 0.0000 | |
| 995 | Y | A | 0.7861 | |
| 996 | W | A | -0.4589 | |
| 997 | S | A | -1.7700 | |
| 998 | E | A | -3.4105 | |
| 999 | E | A | -3.8381 | |
| 1000 | M | A | 0.0000 | |
| 1001 | E | A | -3.3723 | |
| 1002 | D | A | -4.0134 | |
| 1003 | R | A | -3.2065 | |
| 1004 | L | A | 0.0000 | |
| 1005 | Q | A | -3.3833 | |
| 1006 | A | A | -2.8830 | |
| 1007 | L | A | -3.2161 | |
| 1008 | E | A | -3.8981 | |
| 1009 | K | A | -3.9011 | |
| 1010 | D | A | -3.5976 | |
| 1011 | G | A | -3.1152 | |
| 1012 | S | A | -2.5303 | |
| 1013 | G | A | -1.3003 | |
| 1014 | P | A | -0.3761 | |
| 1015 | P | A | -0.3667 | |
| 1016 | L | A | 0.8771 | |
| 1017 | T | A | 0.5282 | |
| 1018 | H | A | 0.6738 | |
| 1019 | Q | A | 1.3262 | |
| 1020 | V | A | 1.4817 | |
| 1021 | M | A | 0.0000 | |
| 1022 | Y | A | 0.6287 | |
| 1023 | V | A | 0.0000 | |
| 1024 | P | A | -0.1562 | |
| 1025 | P | A | -0.4952 | |
| 1026 | G | A | -0.5566 | |
| 1027 | G | A | -0.1810 | |
| 1028 | P | A | 0.0754 | |
| 1029 | I | A | 0.7322 | |
| 1030 | P | A | 0.0000 | |
| 1031 | K | A | -1.1862 | |
| 1032 | S | A | -0.4480 | |
| 1033 | Y | A | 0.2516 | |
| 1034 | E | A | -1.1033 | |
| 1035 | D | A | -0.2270 | |
| 1036 | F | A | 1.2736 | |
| 1037 | A | A | 0.5020 | |
| 1038 | W | A | 0.2954 | |
| 1039 | Q | A | 0.2456 | |
| 1040 | T | A | 0.4750 | |
| 1041 | S | A | 0.0372 | |
| 1042 | T | A | -0.0437 | |
| 1043 | N | A | 0.0000 | |
| 1044 | P | A | 0.5094 | |
| 1045 | S | A | 1.1683 | |
| 1046 | V | A | 2.7627 | |
| 1047 | F | A | 2.3524 | |
| 1048 | W | A | 1.5458 | |
| 1049 | T | A | -0.2009 | |
| 1050 | E | A | -1.8467 | |
| 1051 | G | A | -1.4604 | |
| 1052 | S | A | -1.5971 | |
| 1053 | G | A | -1.9629 | |
| 1054 | R | A | -2.0366 | |
| 1055 | V | A | -0.4494 | |
| 1056 | I | A | 0.8793 | |
| 1057 | S | A | 0.0344 |
3Dmol can be expensive computationally for big molecules. If you experience lag or delay click on the "Play the video" button instead.
CABS-flex predictions of flexibility of input structure
In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.3259 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 | -0.3259 | View | CSV | PDB |
| model_8 | -0.4322 | View | CSV | PDB |
| model_4 | -0.4393 | View | CSV | PDB |
| model_2 | -0.4528 | View | CSV | PDB |
| model_6 | -0.4636 | View | CSV | PDB |
| model_5 | -0.4731 | View | CSV | PDB |
| model_1 | -0.4748 | View | CSV | PDB |
| CABS_average | -0.4779 | View | CSV | PDB |
| model_9 | -0.4792 | View | CSV | PDB |
| model_10 | -0.4915 | View | CSV | PDB |
| model_3 | -0.4939 | View | CSV | PDB |
| model_7 | -0.4993 | View | CSV | PDB |
| model_11 | -0.5051 | View | CSV | PDB |
| model_0 | -0.5305 | 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