Project name: C43_E11_EF_GSG
Status: done
Started: 2026-07-21 11:10:18
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGVRLDDCGLTEARCKDISSALRVGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELNLRSNELGDVGVHCVLQGLQGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGKLSLQNCCLTGAGCGVLSSTLRTGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELHLSDNLLGDAGLQLLCEGLLGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGKLQLEYCSLSAASCEPLASVLRAGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELTVSNNDINEAGVRVLCQGLKDGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGALKLESCGVTSDNCRDLCGIVASGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELALGSNKLGDVGMAELCPGLLGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGTLWIWECGITAKGCGDLCRVLRAGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELSLAGNELGDEGARLLCETLLGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGSLWVKSCSFTAACCSHFSSVLAQGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELQISNNRLEDAGVRELCQGLGGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGVLWLADCDVSDSSCSSLAATLLAGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGELDLSNNCLGDAGILQLVESVRGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGQLVLYDIYWSEEMEDRLQALEKDGSGPPLTHQVMYIPPGGPIPKSTTDYAWQTSTNPSIFWTEGSGRVIS
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 (00:12:04)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:37:06)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:37:16)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:37:26)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:37:36)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:37:45)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:37:55)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:38:04)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:38:14)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:38:24)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:38:33)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:38:43)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:38:53)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:39:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:39:24)
[INFO] Main: Simulation completed successfully. (03:39:34)
|
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
- -4.2046
- Maximal score value
- 2.1982
- Average score
- -0.4103
- Total score value
- -433.7002
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 | -0.3733 | |
| 2 | L | A | -0.0397 | |
| 3 | D | A | -0.7265 | |
| 4 | I | A | 0.7436 | |
| 5 | Q | A | -0.8358 | |
| 6 | S | A | -0.7975 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -0.7274 | |
| 9 | I | A | 0.0000 | |
| 10 | Q | A | -1.2619 | |
| 11 | C | A | -0.4088 | |
| 12 | E | A | -1.2720 | |
| 13 | E | A | -2.0030 | |
| 14 | L | A | -1.2208 | |
| 15 | S | A | -1.5600 | |
| 16 | D | A | -2.0298 | |
| 17 | A | A | -1.4083 | |
| 18 | R | A | -1.8875 | |
| 19 | W | A | -0.8574 | |
| 20 | A | A | -0.7787 | |
| 21 | E | A | -1.1981 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.5724 | |
| 24 | P | A | -0.1353 | |
| 25 | L | A | 0.1766 | |
| 26 | L | A | 0.1714 | |
| 27 | Q | A | -0.3345 | |
| 28 | G | A | -0.5895 | |
| 29 | S | A | -0.5696 | |
| 30 | G | A | -0.4365 | |
| 31 | P | A | -0.3073 | |
| 32 | P | A | -0.1384 | |
| 33 | L | A | 0.2034 | |
| 34 | T | A | 0.0681 | |
| 35 | H | A | 0.0165 | |
| 36 | Q | A | 0.0000 | |
| 37 | V | A | 1.1495 | |
| 38 | M | A | 0.0000 | |
| 39 | Y | A | 0.5535 | |
| 40 | I | A | 0.5941 | |
| 41 | P | A | -0.0049 | |
| 42 | P | A | -0.3770 | |
| 43 | G | A | -0.1857 | |
| 44 | G | A | 0.2428 | |
| 45 | P | A | 0.7828 | |
| 46 | I | A | 1.4020 | |
| 47 | P | A | 0.1400 | |
| 48 | K | A | -1.2990 | |
| 49 | S | A | -0.6811 | |
| 50 | T | A | 0.0000 | |
| 51 | T | A | 0.8890 | |
| 52 | D | A | 0.0000 | |
| 53 | Y | A | 1.3659 | |
| 54 | A | A | 1.1037 | |
| 55 | W | A | 1.6694 | |
| 56 | Q | A | 0.0000 | |
| 57 | T | A | 0.8368 | |
| 58 | S | A | 0.5846 | |
| 59 | T | A | 0.2783 | |
| 60 | N | A | 0.0000 | |
| 61 | P | A | 1.3478 | |
| 62 | S | A | 0.0000 | |
| 63 | I | A | 2.1156 | |
| 64 | F | A | 0.0000 | |
| 65 | W | A | 1.2134 | |
| 66 | T | A | 0.0000 | |
| 67 | E | A | -0.8900 | |
| 68 | G | A | -1.2096 | |
| 69 | S | A | -0.9776 | |
| 70 | G | A | -0.7458 | |
| 71 | V | A | -0.4909 | |
| 72 | R | A | -1.4601 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | 0.0000 | |
| 75 | D | A | -1.8874 | |
| 76 | C | A | 0.0000 | |
| 77 | G | A | -1.8910 | |
| 78 | L | A | 0.0000 | |
| 79 | T | A | -1.5815 | |
| 80 | E | A | -2.3772 | |
| 81 | A | A | -1.2238 | |
| 82 | R | A | 0.0000 | |
| 83 | C | A | 0.0000 | |
| 84 | K | A | -2.1234 | |
| 85 | D | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | S | A | 0.0000 | |
| 88 | S | A | -0.5624 | |
| 89 | A | A | -0.0548 | |
| 90 | L | A | -0.6674 | |
| 91 | R | A | -0.9795 | |
| 92 | V | A | 0.6285 | |
| 93 | G | A | -0.3697 | |
| 94 | S | A | -0.3331 | |
| 95 | G | A | -0.6712 | |
| 96 | P | A | 0.0000 | |
| 97 | P | A | -0.6676 | |
| 98 | L | A | -0.0551 | |
| 99 | T | A | 0.0000 | |
| 100 | H | A | 0.7482 | |
| 101 | Q | A | 0.0000 | |
| 102 | V | A | 1.3757 | |
| 103 | M | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | I | A | 1.8522 | |
| 106 | P | A | 0.0000 | |
| 107 | P | A | 0.5072 | |
| 108 | G | A | 0.7269 | |
| 109 | G | A | 0.0000 | |
| 110 | P | A | 0.9847 | |
| 111 | I | A | 1.2744 | |
| 112 | P | A | -0.0030 | |
| 113 | K | A | -0.5983 | |
| 114 | S | A | -0.3256 | |
| 115 | T | A | 0.0000 | |
| 116 | T | A | 0.0000 | |
| 117 | D | A | 0.0000 | |
| 118 | Y | A | 0.8637 | |
| 119 | A | A | 0.7059 | |
| 120 | W | A | 1.0715 | |
| 121 | Q | A | 0.0000 | |
| 122 | T | A | 0.1110 | |
| 123 | S | A | -0.1311 | |
| 124 | T | A | 0.2077 | |
| 125 | N | A | 0.0000 | |
| 126 | P | A | 0.7286 | |
| 127 | S | A | 0.0000 | |
| 128 | I | A | 1.4395 | |
| 129 | F | A | 0.0000 | |
| 130 | W | A | 0.6372 | |
| 131 | T | A | 0.0000 | |
| 132 | E | A | -1.1232 | |
| 133 | G | A | -1.1897 | |
| 134 | S | A | -0.9729 | |
| 135 | G | A | -0.7982 | |
| 136 | E | A | -0.8894 | |
| 137 | L | A | 0.0000 | |
| 138 | N | A | -0.8834 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -2.2582 | |
| 141 | S | A | -2.0276 | |
| 142 | N | A | 0.0000 | |
| 143 | E | A | -2.8826 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | -1.3626 | |
| 146 | D | A | -1.1270 | |
| 147 | V | A | 0.0701 | |
| 148 | G | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | H | A | -0.6048 | |
| 151 | C | A | -1.0154 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.5486 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | -1.0146 | |
| 157 | Q | A | -1.5744 | |
| 158 | G | A | -1.2336 | |
| 159 | S | A | -0.9673 | |
| 160 | G | A | -0.8077 | |
| 161 | P | A | -0.9723 | |
| 162 | P | A | -0.8606 | |
| 163 | L | A | 0.0000 | |
| 164 | T | A | 0.0000 | |
| 165 | H | A | -0.0411 | |
| 166 | Q | A | 0.0000 | |
| 167 | V | A | 0.9200 | |
| 168 | M | A | 0.0000 | |
| 169 | Y | A | 0.4262 | |
| 170 | I | A | 0.0000 | |
| 171 | P | A | -0.1132 | |
| 172 | P | A | -0.0745 | |
| 173 | G | A | 0.3393 | |
| 174 | G | A | 0.3323 | |
| 175 | P | A | 0.0928 | |
| 176 | I | A | 0.5796 | |
| 177 | P | A | 0.0000 | |
| 178 | K | A | -1.5388 | |
| 179 | S | A | -0.7957 | |
| 180 | T | A | -0.7643 | |
| 181 | T | A | -0.7530 | |
| 182 | D | A | 0.0000 | |
| 183 | Y | A | 0.0000 | |
| 184 | A | A | 0.2611 | |
| 185 | W | A | 0.5844 | |
| 186 | Q | A | -0.6578 | |
| 187 | T | A | -0.5376 | |
| 188 | S | A | -0.4759 | |
| 189 | T | A | -0.1304 | |
| 190 | N | A | 0.0000 | |
| 191 | P | A | 0.2928 | |
| 192 | S | A | 0.0000 | |
| 193 | I | A | 1.0404 | |
| 194 | F | A | 0.0000 | |
| 195 | W | A | 0.3113 | |
| 196 | T | A | 0.0000 | |
| 197 | E | A | -1.1226 | |
| 198 | G | A | -1.0135 | |
| 199 | S | A | -0.9330 | |
| 200 | G | A | -0.9006 | |
| 201 | K | A | -0.8121 | |
| 202 | L | A | -0.5600 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.9259 | |
| 206 | N | A | -2.1559 | |
| 207 | C | A | 0.0000 | |
| 208 | C | A | -1.0321 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | -0.5286 | |
| 211 | G | A | -0.5084 | |
| 212 | A | A | 0.0390 | |
| 213 | G | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | G | A | -0.1693 | |
| 216 | V | A | -0.0849 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | -0.7522 | |
| 219 | S | A | -1.0906 | |
| 220 | T | A | 0.0000 | |
| 221 | L | A | -1.2091 | |
| 222 | R | A | -2.1710 | |
| 223 | T | A | -1.3261 | |
| 224 | G | A | -1.2071 | |
| 225 | S | A | -0.9766 | |
| 226 | G | A | -0.7910 | |
| 227 | P | A | -0.4858 | |
| 228 | P | A | -0.4641 | |
| 229 | L | A | -0.0855 | |
| 230 | T | A | -0.1944 | |
| 231 | H | A | 0.0000 | |
| 232 | Q | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | M | A | 0.0000 | |
| 235 | Y | A | 1.0437 | |
| 236 | I | A | 0.0000 | |
| 237 | P | A | -0.2130 | |
| 238 | P | A | -0.3126 | |
| 239 | G | A | -0.3546 | |
| 240 | G | A | -0.4711 | |
| 241 | P | A | -0.6003 | |
| 242 | I | A | -0.6589 | |
| 243 | P | A | -1.1149 | |
| 244 | K | A | -1.9272 | |
| 245 | S | A | -1.1704 | |
| 246 | T | A | -0.6688 | |
| 247 | T | A | 0.0000 | |
| 248 | D | A | -0.7193 | |
| 249 | Y | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | W | A | 0.0000 | |
| 252 | Q | A | -0.6707 | |
| 253 | T | A | 0.0000 | |
| 254 | S | A | -0.4633 | |
| 255 | T | A | -0.1401 | |
| 256 | N | A | 0.0000 | |
| 257 | P | A | 0.1773 | |
| 258 | S | A | 0.0000 | |
| 259 | I | A | 1.0849 | |
| 260 | F | A | 0.0000 | |
| 261 | W | A | 0.0000 | |
| 262 | T | A | -0.2377 | |
| 263 | E | A | 0.0000 | |
| 264 | G | A | -0.6647 | |
| 265 | S | A | -0.7947 | |
| 266 | G | A | -0.9763 | |
| 267 | E | A | -1.0662 | |
| 268 | L | A | -0.4613 | |
| 269 | H | A | -0.6321 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | D | A | -0.8407 | |
| 273 | N | A | -0.8431 | |
| 274 | L | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | G | A | -1.2228 | |
| 277 | D | A | -2.0047 | |
| 278 | A | A | -1.0493 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | Q | A | -1.8345 | |
| 282 | L | A | -0.7885 | |
| 283 | L | A | 0.0000 | |
| 284 | C | A | -0.8190 | |
| 285 | E | A | -2.0210 | |
| 286 | G | A | -1.3663 | |
| 287 | L | A | -0.6467 | |
| 288 | L | A | 0.0000 | |
| 289 | G | A | -0.5883 | |
| 290 | S | A | -0.9278 | |
| 291 | G | A | -0.8966 | |
| 292 | P | A | -0.6699 | |
| 293 | P | A | -0.5405 | |
| 294 | L | A | 0.0000 | |
| 295 | T | A | -0.1761 | |
| 296 | H | A | 0.1558 | |
| 297 | Q | A | 0.0000 | |
| 298 | V | A | 0.6509 | |
| 299 | M | A | 0.0000 | |
| 300 | Y | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | P | A | -0.6155 | |
| 303 | P | A | -0.7394 | |
| 304 | G | A | -0.7685 | |
| 305 | G | A | -0.4704 | |
| 306 | P | A | -0.4725 | |
| 307 | I | A | 0.0000 | |
| 308 | P | A | -0.3439 | |
| 309 | K | A | 0.0000 | |
| 310 | S | A | -0.6320 | |
| 311 | T | A | -0.4833 | |
| 312 | T | A | 0.0000 | |
| 313 | D | A | -2.1494 | |
| 314 | Y | A | 0.0000 | |
| 315 | A | A | -0.3034 | |
| 316 | W | A | 0.3356 | |
| 317 | Q | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | S | A | -0.3348 | |
| 320 | T | A | -0.2118 | |
| 321 | N | A | 0.0000 | |
| 322 | P | A | 0.0679 | |
| 323 | S | A | 0.0000 | |
| 324 | I | A | 0.7419 | |
| 325 | F | A | 0.0000 | |
| 326 | W | A | 0.2927 | |
| 327 | T | A | -0.2939 | |
| 328 | E | A | -0.7426 | |
| 329 | G | A | -0.8632 | |
| 330 | S | A | -1.0605 | |
| 331 | G | A | -1.1640 | |
| 332 | K | A | -1.3250 | |
| 333 | L | A | -0.6480 | |
| 334 | Q | A | -0.4013 | |
| 335 | L | A | 0.0000 | |
| 336 | E | A | -0.8516 | |
| 337 | Y | A | -0.2985 | |
| 338 | C | A | 0.0000 | |
| 339 | S | A | -1.5226 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -1.5812 | |
| 342 | A | A | -1.2862 | |
| 343 | A | A | -1.1284 | |
| 344 | S | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | E | A | -1.9286 | |
| 347 | P | A | -1.5427 | |
| 348 | L | A | -0.5043 | |
| 349 | A | A | -1.3523 | |
| 350 | S | A | -1.5695 | |
| 351 | V | A | -1.0308 | |
| 352 | L | A | -1.3844 | |
| 353 | R | A | -2.6399 | |
| 354 | A | A | -1.2289 | |
| 355 | G | A | -1.0954 | |
| 356 | S | A | -1.3448 | |
| 357 | G | A | -1.2568 | |
| 358 | P | A | -0.6150 | |
| 359 | P | A | -0.2801 | |
| 360 | L | A | 0.0765 | |
| 361 | T | A | 0.0479 | |
| 362 | H | A | 0.0000 | |
| 363 | Q | A | 0.0000 | |
| 364 | V | A | 0.6420 | |
| 365 | M | A | 0.0000 | |
| 366 | Y | A | 0.0000 | |
| 367 | I | A | 0.2574 | |
| 368 | P | A | 0.1758 | |
| 369 | P | A | -0.4803 | |
| 370 | G | A | -0.5497 | |
| 371 | G | A | -0.3217 | |
| 372 | P | A | 0.4974 | |
| 373 | I | A | 1.2751 | |
| 374 | P | A | -0.1910 | |
| 375 | K | A | -1.5037 | |
| 376 | S | A | -1.5899 | |
| 377 | T | A | -1.0073 | |
| 378 | T | A | -0.4378 | |
| 379 | D | A | 0.0000 | |
| 380 | Y | A | 0.0000 | |
| 381 | A | A | 0.4446 | |
| 382 | W | A | 1.0584 | |
| 383 | Q | A | 0.0000 | |
| 384 | T | A | 0.2957 | |
| 385 | S | A | -0.0641 | |
| 386 | T | A | -0.0799 | |
| 387 | N | A | 0.1465 | |
| 388 | P | A | 0.2957 | |
| 389 | S | A | 0.0000 | |
| 390 | I | A | 0.8792 | |
| 391 | F | A | 0.0000 | |
| 392 | W | A | 0.4766 | |
| 393 | T | A | 0.0000 | |
| 394 | E | A | -1.1914 | |
| 395 | G | A | -1.1427 | |
| 396 | S | A | -1.1699 | |
| 397 | G | A | -1.0594 | |
| 398 | E | A | -1.1880 | |
| 399 | L | A | -0.3192 | |
| 400 | T | A | -0.4708 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | -0.9325 | |
| 403 | N | A | -1.3212 | |
| 404 | N | A | -2.1088 | |
| 405 | D | A | -2.6593 | |
| 406 | I | A | -2.1587 | |
| 407 | N | A | -2.8405 | |
| 408 | E | A | -3.1348 | |
| 409 | A | A | -1.6929 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | R | A | -3.1278 | |
| 413 | V | A | -1.6664 | |
| 414 | L | A | -1.5919 | |
| 415 | C | A | 0.0000 | |
| 416 | Q | A | -2.5841 | |
| 417 | G | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | K | A | -2.3426 | |
| 420 | D | A | -2.9814 | |
| 421 | G | A | 0.0000 | |
| 422 | S | A | -1.7805 | |
| 423 | G | A | -1.8869 | |
| 424 | P | A | -1.2176 | |
| 425 | P | A | -0.4640 | |
| 426 | L | A | -0.4075 | |
| 427 | T | A | 0.0000 | |
| 428 | H | A | 0.0000 | |
| 429 | Q | A | 0.0000 | |
| 430 | V | A | 0.7393 | |
| 431 | M | A | 0.0000 | |
| 432 | Y | A | 0.4776 | |
| 433 | I | A | 0.5023 | |
| 434 | P | A | -0.0748 | |
| 435 | P | A | -0.3258 | |
| 436 | G | A | -0.4960 | |
| 437 | G | A | -0.5361 | |
| 438 | P | A | -0.3230 | |
| 439 | I | A | 0.0000 | |
| 440 | P | A | -0.3683 | |
| 441 | K | A | 0.0000 | |
| 442 | S | A | -0.4417 | |
| 443 | T | A | -0.5590 | |
| 444 | T | A | 0.0000 | |
| 445 | D | A | -1.8047 | |
| 446 | Y | A | 0.0000 | |
| 447 | A | A | -0.5729 | |
| 448 | W | A | 0.0000 | |
| 449 | Q | A | 0.0000 | |
| 450 | T | A | -0.0724 | |
| 451 | S | A | -0.2347 | |
| 452 | T | A | -0.2070 | |
| 453 | N | A | 0.0000 | |
| 454 | P | A | 0.2559 | |
| 455 | S | A | 0.0000 | |
| 456 | I | A | 0.8134 | |
| 457 | F | A | 0.0000 | |
| 458 | W | A | 0.3072 | |
| 459 | T | A | 0.0000 | |
| 460 | E | A | -1.1139 | |
| 461 | G | A | -1.5718 | |
| 462 | S | A | -1.4042 | |
| 463 | G | A | -1.1100 | |
| 464 | A | A | -0.7680 | |
| 465 | L | A | -0.4023 | |
| 466 | K | A | -0.4150 | |
| 467 | L | A | 0.0000 | |
| 468 | E | A | -1.3483 | |
| 469 | S | A | -1.5721 | |
| 470 | C | A | 0.0000 | |
| 471 | G | A | 0.0000 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -2.0629 | |
| 474 | S | A | -1.7678 | |
| 475 | D | A | -2.9446 | |
| 476 | N | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | R | A | -2.8869 | |
| 479 | D | A | -2.3191 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | -1.0528 | |
| 482 | G | A | -0.9723 | |
| 483 | I | A | 0.0000 | |
| 484 | V | A | -0.6292 | |
| 485 | A | A | -0.4448 | |
| 486 | S | A | -0.9592 | |
| 487 | G | A | -1.1779 | |
| 488 | S | A | -1.0336 | |
| 489 | G | A | -1.2741 | |
| 490 | P | A | -0.8410 | |
| 491 | P | A | -0.4626 | |
| 492 | L | A | -0.0957 | |
| 493 | T | A | -0.3605 | |
| 494 | H | A | 0.2235 | |
| 495 | Q | A | 0.0000 | |
| 496 | V | A | 0.8519 | |
| 497 | M | A | 0.0000 | |
| 498 | Y | A | -0.0373 | |
| 499 | I | A | -0.0462 | |
| 500 | P | A | -0.2313 | |
| 501 | P | A | -0.5523 | |
| 502 | G | A | -0.6000 | |
| 503 | G | A | -0.4608 | |
| 504 | P | A | -0.1261 | |
| 505 | I | A | 0.1754 | |
| 506 | P | A | -0.8785 | |
| 507 | K | A | -1.9999 | |
| 508 | S | A | -1.3762 | |
| 509 | T | A | -0.5459 | |
| 510 | T | A | 0.0000 | |
| 511 | D | A | -0.0304 | |
| 512 | Y | A | 0.0000 | |
| 513 | A | A | 0.0000 | |
| 514 | W | A | 0.0000 | |
| 515 | Q | A | 0.0000 | |
| 516 | T | A | -0.4651 | |
| 517 | S | A | -0.5344 | |
| 518 | T | A | -0.6712 | |
| 519 | N | A | -0.9428 | |
| 520 | P | A | -0.0726 | |
| 521 | S | A | 0.0000 | |
| 522 | I | A | 1.3984 | |
| 523 | F | A | 0.0000 | |
| 524 | W | A | 0.0000 | |
| 525 | T | A | -0.5992 | |
| 526 | E | A | -1.4931 | |
| 527 | G | A | -1.5884 | |
| 528 | S | A | -1.2710 | |
| 529 | G | A | -1.2508 | |
| 530 | E | A | -0.8552 | |
| 531 | L | A | -0.0402 | |
| 532 | A | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | S | A | -1.6684 | |
| 536 | N | A | -2.4415 | |
| 537 | K | A | -2.2072 | |
| 538 | L | A | -1.0409 | |
| 539 | G | A | -0.5678 | |
| 540 | D | A | -0.3627 | |
| 541 | V | A | 0.9852 | |
| 542 | G | A | 0.0000 | |
| 543 | M | A | 0.0000 | |
| 544 | A | A | -0.2269 | |
| 545 | E | A | -0.8214 | |
| 546 | L | A | 0.0000 | |
| 547 | C | A | 0.0000 | |
| 548 | P | A | -0.4330 | |
| 549 | G | A | 0.0000 | |
| 550 | L | A | 0.2416 | |
| 551 | L | A | -0.0173 | |
| 552 | G | A | -0.3897 | |
| 553 | S | A | -0.5721 | |
| 554 | G | A | -0.4255 | |
| 555 | P | A | -0.8060 | |
| 556 | P | A | -0.8135 | |
| 557 | L | A | 0.0000 | |
| 558 | T | A | -0.4925 | |
| 559 | H | A | 0.0441 | |
| 560 | Q | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | M | A | 0.0000 | |
| 563 | Y | A | 0.3747 | |
| 564 | I | A | 0.0000 | |
| 565 | P | A | -0.2077 | |
| 566 | P | A | -0.6829 | |
| 567 | G | A | -0.7869 | |
| 568 | G | A | -0.5648 | |
| 569 | P | A | -0.2089 | |
| 570 | I | A | 0.3101 | |
| 571 | P | A | -0.4066 | |
| 572 | K | A | -1.6042 | |
| 573 | S | A | -0.6751 | |
| 574 | T | A | -0.4026 | |
| 575 | T | A | 0.0000 | |
| 576 | D | A | 0.0000 | |
| 577 | Y | A | 1.4235 | |
| 578 | A | A | 0.7948 | |
| 579 | W | A | 0.8689 | |
| 580 | Q | A | 0.0000 | |
| 581 | T | A | 0.0721 | |
| 582 | S | A | -0.2181 | |
| 583 | T | A | -0.2206 | |
| 584 | N | A | 0.0000 | |
| 585 | P | A | 0.4520 | |
| 586 | S | A | 0.0000 | |
| 587 | I | A | 1.9084 | |
| 588 | F | A | 0.0000 | |
| 589 | W | A | 0.9950 | |
| 590 | T | A | 0.0000 | |
| 591 | E | A | -0.8936 | |
| 592 | G | A | -1.1219 | |
| 593 | S | A | -1.1917 | |
| 594 | G | A | -1.0519 | |
| 595 | T | A | -0.5805 | |
| 596 | L | A | 0.1988 | |
| 597 | W | A | 0.7273 | |
| 598 | I | A | 0.0000 | |
| 599 | W | A | 0.0000 | |
| 600 | E | A | -2.5777 | |
| 601 | C | A | 0.0000 | |
| 602 | G | A | 0.0000 | |
| 603 | I | A | 0.0000 | |
| 604 | T | A | -1.3807 | |
| 605 | A | A | -1.9735 | |
| 606 | K | A | -1.9899 | |
| 607 | G | A | 0.0000 | |
| 608 | C | A | 0.0000 | |
| 609 | G | A | -1.9721 | |
| 610 | D | A | -1.8133 | |
| 611 | L | A | 0.0000 | |
| 612 | C | A | -1.7004 | |
| 613 | R | A | -2.6135 | |
| 614 | V | A | 0.0000 | |
| 615 | L | A | -1.0625 | |
| 616 | R | A | -2.5216 | |
| 617 | A | A | -1.1541 | |
| 618 | G | A | -0.8523 | |
| 619 | S | A | -0.8578 | |
| 620 | G | A | -1.0700 | |
| 621 | P | A | -0.7488 | |
| 622 | P | A | -0.5393 | |
| 623 | L | A | 0.0000 | |
| 624 | T | A | 0.0000 | |
| 625 | H | A | 0.0000 | |
| 626 | Q | A | 0.0000 | |
| 627 | V | A | 1.5446 | |
| 628 | M | A | 0.0000 | |
| 629 | Y | A | 0.0000 | |
| 630 | I | A | 0.0000 | |
| 631 | P | A | -0.0195 | |
| 632 | P | A | -0.0911 | |
| 633 | G | A | 0.0331 | |
| 634 | G | A | 0.0000 | |
| 635 | P | A | -0.1704 | |
| 636 | I | A | 0.0000 | |
| 637 | P | A | -0.8619 | |
| 638 | K | A | -1.2920 | |
| 639 | S | A | -0.7561 | |
| 640 | T | A | -0.6778 | |
| 641 | T | A | -1.1790 | |
| 642 | D | A | -1.9150 | |
| 643 | Y | A | 0.0000 | |
| 644 | A | A | -0.0829 | |
| 645 | W | A | 0.5017 | |
| 646 | Q | A | 0.0000 | |
| 647 | T | A | -0.1055 | |
| 648 | S | A | -0.2900 | |
| 649 | T | A | -0.2408 | |
| 650 | N | A | 0.0000 | |
| 651 | P | A | 0.2046 | |
| 652 | S | A | 0.0000 | |
| 653 | I | A | 2.1982 | |
| 654 | F | A | 0.0000 | |
| 655 | W | A | 0.9592 | |
| 656 | T | A | 0.0000 | |
| 657 | E | A | -0.9487 | |
| 658 | G | A | -1.0173 | |
| 659 | S | A | -1.1426 | |
| 660 | G | A | -1.1074 | |
| 661 | E | A | -1.1560 | |
| 662 | L | A | 0.0080 | |
| 663 | S | A | 0.2403 | |
| 664 | L | A | 0.0000 | |
| 665 | A | A | 0.0000 | |
| 666 | G | A | 0.0000 | |
| 667 | N | A | -2.4982 | |
| 668 | E | A | -2.5376 | |
| 669 | L | A | 0.0000 | |
| 670 | G | A | -1.8779 | |
| 671 | D | A | -2.0338 | |
| 672 | E | A | -2.8060 | |
| 673 | G | A | 0.0000 | |
| 674 | A | A | 0.0000 | |
| 675 | R | A | -1.9376 | |
| 676 | L | A | -1.8051 | |
| 677 | L | A | 0.0000 | |
| 678 | C | A | 0.0000 | |
| 679 | E | A | -1.9633 | |
| 680 | T | A | 0.0000 | |
| 681 | L | A | -0.5928 | |
| 682 | L | A | -0.2884 | |
| 683 | G | A | -0.9979 | |
| 684 | S | A | -0.8966 | |
| 685 | G | A | -0.4536 | |
| 686 | P | A | -0.3445 | |
| 687 | P | A | -0.0727 | |
| 688 | L | A | 0.7810 | |
| 689 | T | A | 0.4126 | |
| 690 | H | A | 0.0000 | |
| 691 | Q | A | 0.0000 | |
| 692 | V | A | 1.3791 | |
| 693 | M | A | 0.0000 | |
| 694 | Y | A | 0.5783 | |
| 695 | I | A | 0.0000 | |
| 696 | P | A | -0.0216 | |
| 697 | P | A | -0.3202 | |
| 698 | G | A | -0.6263 | |
| 699 | G | A | -0.4867 | |
| 700 | P | A | 0.0000 | |
| 701 | I | A | 0.0409 | |
| 702 | P | A | 0.0000 | |
| 703 | K | A | -1.9401 | |
| 704 | S | A | -1.4231 | |
| 705 | T | A | 0.0000 | |
| 706 | T | A | -0.9606 | |
| 707 | D | A | -1.6550 | |
| 708 | Y | A | -0.8739 | |
| 709 | A | A | 0.0000 | |
| 710 | W | A | 0.0000 | |
| 711 | Q | A | 0.0000 | |
| 712 | T | A | -0.1926 | |
| 713 | S | A | -0.2614 | |
| 714 | T | A | -0.1317 | |
| 715 | N | A | 0.0000 | |
| 716 | P | A | 0.2392 | |
| 717 | S | A | 0.0000 | |
| 718 | I | A | 0.9893 | |
| 719 | F | A | 0.5652 | |
| 720 | W | A | 0.7938 | |
| 721 | T | A | 0.0000 | |
| 722 | E | A | -0.2848 | |
| 723 | G | A | -0.7241 | |
| 724 | S | A | -1.0231 | |
| 725 | G | A | -1.0473 | |
| 726 | S | A | -0.9428 | |
| 727 | L | A | -0.4059 | |
| 728 | W | A | -0.0448 | |
| 729 | V | A | 0.0000 | |
| 730 | K | A | -1.1593 | |
| 731 | S | A | -1.8629 | |
| 732 | C | A | 0.0000 | |
| 733 | S | A | -1.8678 | |
| 734 | F | A | 0.0000 | |
| 735 | T | A | -0.9888 | |
| 736 | A | A | -1.0457 | |
| 737 | A | A | -0.6532 | |
| 738 | C | A | 0.0000 | |
| 739 | C | A | 0.0000 | |
| 740 | S | A | -0.7100 | |
| 741 | H | A | -0.8467 | |
| 742 | F | A | 0.0000 | |
| 743 | S | A | -0.7371 | |
| 744 | S | A | -0.6012 | |
| 745 | V | A | 0.0000 | |
| 746 | L | A | 0.0000 | |
| 747 | A | A | -0.6589 | |
| 748 | Q | A | -0.7708 | |
| 749 | G | A | -0.9455 | |
| 750 | S | A | -0.8903 | |
| 751 | G | A | -0.7594 | |
| 752 | P | A | -0.3767 | |
| 753 | P | A | 0.0000 | |
| 754 | L | A | 0.4797 | |
| 755 | T | A | 0.3608 | |
| 756 | H | A | 0.4071 | |
| 757 | Q | A | 0.1177 | |
| 758 | V | A | 0.5816 | |
| 759 | M | A | 0.0000 | |
| 760 | Y | A | 0.2151 | |
| 761 | I | A | 0.0000 | |
| 762 | P | A | -0.0177 | |
| 763 | P | A | -0.2203 | |
| 764 | G | A | -0.3876 | |
| 765 | G | A | -0.3382 | |
| 766 | P | A | -0.3137 | |
| 767 | I | A | -0.1319 | |
| 768 | P | A | -0.3430 | |
| 769 | K | A | -1.0944 | |
| 770 | S | A | 0.0000 | |
| 771 | T | A | -0.6290 | |
| 772 | T | A | -0.2704 | |
| 773 | D | A | -0.2077 | |
| 774 | Y | A | 0.0000 | |
| 775 | A | A | 0.0000 | |
| 776 | W | A | 0.7138 | |
| 777 | Q | A | 0.0000 | |
| 778 | T | A | -0.0043 | |
| 779 | S | A | -0.3079 | |
| 780 | T | A | -0.1758 | |
| 781 | N | A | 0.0000 | |
| 782 | P | A | 0.1649 | |
| 783 | S | A | 0.0000 | |
| 784 | I | A | 0.5889 | |
| 785 | F | A | 0.0000 | |
| 786 | W | A | 0.5067 | |
| 787 | T | A | 0.1058 | |
| 788 | E | A | 0.0000 | |
| 789 | G | A | -0.4478 | |
| 790 | S | A | -0.6595 | |
| 791 | G | A | -0.8693 | |
| 792 | E | A | -1.2432 | |
| 793 | L | A | 0.0000 | |
| 794 | Q | A | -0.2246 | |
| 795 | I | A | 0.0000 | |
| 796 | S | A | -1.2790 | |
| 797 | N | A | -2.4265 | |
| 798 | N | A | 0.0000 | |
| 799 | R | A | -3.0605 | |
| 800 | L | A | 0.0000 | |
| 801 | E | A | -2.5033 | |
| 802 | D | A | -2.2132 | |
| 803 | A | A | -1.1832 | |
| 804 | G | A | 0.0000 | |
| 805 | V | A | 0.0000 | |
| 806 | R | A | -2.0729 | |
| 807 | E | A | -1.6406 | |
| 808 | L | A | -0.8356 | |
| 809 | C | A | -0.9688 | |
| 810 | Q | A | -1.6654 | |
| 811 | G | A | 0.0000 | |
| 812 | L | A | -0.7529 | |
| 813 | G | A | -0.8859 | |
| 814 | G | A | -0.9454 | |
| 815 | S | A | -0.7668 | |
| 816 | G | A | -0.7798 | |
| 817 | P | A | -0.6359 | |
| 818 | P | A | -0.5456 | |
| 819 | L | A | -0.2498 | |
| 820 | T | A | 0.0000 | |
| 821 | H | A | 0.0000 | |
| 822 | Q | A | 0.0000 | |
| 823 | V | A | 0.0000 | |
| 824 | M | A | 0.0000 | |
| 825 | Y | A | 0.1617 | |
| 826 | I | A | 0.0000 | |
| 827 | P | A | 0.0078 | |
| 828 | P | A | -0.1850 | |
| 829 | G | A | -0.0855 | |
| 830 | G | A | -0.4027 | |
| 831 | P | A | -0.1764 | |
| 832 | I | A | -0.3141 | |
| 833 | P | A | -0.6326 | |
| 834 | K | A | -0.7131 | |
| 835 | S | A | -0.5641 | |
| 836 | T | A | -0.6158 | |
| 837 | T | A | 0.0000 | |
| 838 | D | A | -1.0314 | |
| 839 | Y | A | 0.0000 | |
| 840 | A | A | 0.0000 | |
| 841 | W | A | -0.4165 | |
| 842 | Q | A | -0.3833 | |
| 843 | T | A | -0.3752 | |
| 844 | S | A | -0.3610 | |
| 845 | T | A | -0.3740 | |
| 846 | N | A | -0.4089 | |
| 847 | P | A | -0.0752 | |
| 848 | S | A | 0.0000 | |
| 849 | I | A | 0.6370 | |
| 850 | F | A | 0.6805 | |
| 851 | W | A | 0.0000 | |
| 852 | T | A | 0.0000 | |
| 853 | E | A | -0.6324 | |
| 854 | G | A | -0.8823 | |
| 855 | S | A | -0.9465 | |
| 856 | G | A | -0.9767 | |
| 857 | V | A | 0.0000 | |
| 858 | L | A | -0.1884 | |
| 859 | W | A | -0.0950 | |
| 860 | L | A | 0.0000 | |
| 861 | A | A | -1.5851 | |
| 862 | D | A | -2.4304 | |
| 863 | C | A | 0.0000 | |
| 864 | D | A | -2.9357 | |
| 865 | V | A | 0.0000 | |
| 866 | S | A | -1.1294 | |
| 867 | D | A | -1.1101 | |
| 868 | S | A | -0.9197 | |
| 869 | S | A | 0.0000 | |
| 870 | C | A | 0.0000 | |
| 871 | S | A | -0.5262 | |
| 872 | S | A | -0.5152 | |
| 873 | L | A | 0.0386 | |
| 874 | A | A | 0.0000 | |
| 875 | A | A | 0.4423 | |
| 876 | T | A | 0.3780 | |
| 877 | L | A | 0.4423 | |
| 878 | L | A | 0.9339 | |
| 879 | A | A | 0.4626 | |
| 880 | G | A | -0.2813 | |
| 881 | S | A | -0.2608 | |
| 882 | G | A | -0.5080 | |
| 883 | P | A | -0.6715 | |
| 884 | P | A | -0.5945 | |
| 885 | L | A | 0.0000 | |
| 886 | T | A | -0.1750 | |
| 887 | H | A | 0.0000 | |
| 888 | Q | A | 0.0000 | |
| 889 | V | A | 0.6607 | |
| 890 | M | A | 0.0000 | |
| 891 | Y | A | 0.0000 | |
| 892 | I | A | 0.0000 | |
| 893 | P | A | -0.2008 | |
| 894 | P | A | -0.4601 | |
| 895 | G | A | -0.5838 | |
| 896 | G | A | -0.6118 | |
| 897 | P | A | -0.5977 | |
| 898 | I | A | -0.4487 | |
| 899 | P | A | -1.0028 | |
| 900 | K | A | -1.7346 | |
| 901 | S | A | -0.8672 | |
| 902 | T | A | -0.4800 | |
| 903 | T | A | 0.0000 | |
| 904 | D | A | 0.0000 | |
| 905 | Y | A | 0.0000 | |
| 906 | A | A | -0.0259 | |
| 907 | W | A | 0.0384 | |
| 908 | Q | A | 0.0000 | |
| 909 | T | A | -0.3146 | |
| 910 | S | A | -0.3425 | |
| 911 | T | A | -0.3205 | |
| 912 | N | A | 0.0000 | |
| 913 | P | A | 0.1691 | |
| 914 | S | A | 0.0000 | |
| 915 | I | A | 0.8682 | |
| 916 | F | A | 0.0000 | |
| 917 | W | A | 0.4089 | |
| 918 | T | A | 0.0000 | |
| 919 | E | A | -0.6100 | |
| 920 | G | A | -0.7671 | |
| 921 | S | A | -1.0088 | |
| 922 | G | A | -1.2420 | |
| 923 | E | A | -1.9356 | |
| 924 | L | A | 0.0000 | |
| 925 | D | A | -0.3082 | |
| 926 | L | A | 0.0000 | |
| 927 | S | A | 0.0000 | |
| 928 | N | A | -1.4076 | |
| 929 | N | A | -0.8882 | |
| 930 | C | A | 0.0000 | |
| 931 | L | A | 0.2587 | |
| 932 | G | A | 0.1095 | |
| 933 | D | A | -0.5395 | |
| 934 | A | A | -0.3584 | |
| 935 | G | A | 0.0000 | |
| 936 | I | A | 0.0000 | |
| 937 | L | A | -0.7591 | |
| 938 | Q | A | -0.9909 | |
| 939 | L | A | 0.0000 | |
| 940 | V | A | 0.0000 | |
| 941 | E | A | -2.5739 | |
| 942 | S | A | 0.0000 | |
| 943 | V | A | 0.0000 | |
| 944 | R | A | -2.9353 | |
| 945 | G | A | -1.4781 | |
| 946 | S | A | -1.4432 | |
| 947 | G | A | -1.1856 | |
| 948 | P | A | 0.0000 | |
| 949 | P | A | 0.3329 | |
| 950 | L | A | 1.4129 | |
| 951 | T | A | 0.5658 | |
| 952 | H | A | 0.0000 | |
| 953 | Q | A | 0.0000 | |
| 954 | V | A | 0.0000 | |
| 955 | M | A | 0.0000 | |
| 956 | Y | A | 0.3662 | |
| 957 | I | A | 0.0000 | |
| 958 | P | A | -0.3759 | |
| 959 | P | A | -0.5212 | |
| 960 | G | A | -0.7502 | |
| 961 | G | A | -0.7195 | |
| 962 | P | A | -0.4264 | |
| 963 | I | A | -0.1212 | |
| 964 | P | A | -0.3279 | |
| 965 | K | A | -0.5423 | |
| 966 | S | A | -0.5201 | |
| 967 | T | A | -0.4272 | |
| 968 | T | A | 0.0000 | |
| 969 | D | A | -1.4125 | |
| 970 | Y | A | 0.4381 | |
| 971 | A | A | 0.0000 | |
| 972 | W | A | 0.9295 | |
| 973 | Q | A | 0.0000 | |
| 974 | T | A | -0.1969 | |
| 975 | S | A | -0.2850 | |
| 976 | T | A | -0.1773 | |
| 977 | N | A | 0.0000 | |
| 978 | P | A | 0.4276 | |
| 979 | S | A | 0.0000 | |
| 980 | I | A | 1.1853 | |
| 981 | F | A | 0.0000 | |
| 982 | W | A | 1.1255 | |
| 983 | T | A | 0.2693 | |
| 984 | E | A | 0.0011 | |
| 985 | G | A | 0.0000 | |
| 986 | S | A | -1.2558 | |
| 987 | G | A | -1.5459 | |
| 988 | Q | A | -1.6913 | |
| 989 | L | A | -0.6227 | |
| 990 | V | A | 0.1445 | |
| 991 | L | A | 0.1243 | |
| 992 | Y | A | 0.0000 | |
| 993 | D | A | -0.8320 | |
| 994 | I | A | 1.1371 | |
| 995 | Y | A | 1.2399 | |
| 996 | W | A | -0.0277 | |
| 997 | S | A | -1.2899 | |
| 998 | E | A | -3.2796 | |
| 999 | E | A | -3.7389 | |
| 1000 | M | A | 0.0000 | |
| 1001 | E | A | -2.9035 | |
| 1002 | D | A | -3.8395 | |
| 1003 | R | A | -4.2046 | |
| 1004 | L | A | 0.0000 | |
| 1005 | Q | A | -3.1889 | |
| 1006 | A | A | -2.7773 | |
| 1007 | L | A | 0.0000 | |
| 1008 | E | A | -2.8681 | |
| 1009 | K | A | -2.9041 | |
| 1010 | D | A | -2.9059 | |
| 1011 | G | A | 0.0000 | |
| 1012 | S | A | -1.5931 | |
| 1013 | G | A | -1.6566 | |
| 1014 | P | A | -1.4066 | |
| 1015 | P | A | -0.6312 | |
| 1016 | L | A | 0.0272 | |
| 1017 | T | A | 0.1030 | |
| 1018 | H | A | 0.5344 | |
| 1019 | Q | A | 0.0000 | |
| 1020 | V | A | 0.8475 | |
| 1021 | M | A | 0.0000 | |
| 1022 | Y | A | 0.6598 | |
| 1023 | I | A | 0.0000 | |
| 1024 | P | A | -0.4895 | |
| 1025 | P | A | -0.6044 | |
| 1026 | G | A | -0.6028 | |
| 1027 | G | A | -0.0898 | |
| 1028 | P | A | 0.1550 | |
| 1029 | I | A | 0.9859 | |
| 1030 | P | A | -0.0735 | |
| 1031 | K | A | -1.3706 | |
| 1032 | S | A | -0.6352 | |
| 1033 | T | A | 0.0159 | |
| 1034 | T | A | -0.0058 | |
| 1035 | D | A | 0.0357 | |
| 1036 | Y | A | 0.0000 | |
| 1037 | A | A | 0.0000 | |
| 1038 | W | A | 0.8839 | |
| 1039 | Q | A | 0.0000 | |
| 1040 | T | A | -0.1298 | |
| 1041 | S | A | -0.1747 | |
| 1042 | T | A | -0.1081 | |
| 1043 | N | A | 0.0000 | |
| 1044 | P | A | 0.4934 | |
| 1045 | S | A | 0.0000 | |
| 1046 | I | A | 0.6723 | |
| 1047 | F | A | 0.9759 | |
| 1048 | W | A | 1.2294 | |
| 1049 | T | A | 0.1065 | |
| 1050 | E | A | -0.6238 | |
| 1051 | G | A | -1.1202 | |
| 1052 | S | A | -1.0022 | |
| 1053 | G | A | -1.7530 | |
| 1054 | R | A | -2.5132 | |
| 1055 | V | A | -1.4637 | |
| 1056 | I | A | 0.0000 | |
| 1057 | S | A | -0.3308 |
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, -0.4103 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 |
|||
| model_7 | -0.4103 | View | CSV | PDB |
| model_11 | -0.4249 | View | CSV | PDB |
| model_1 | -0.4279 | View | CSV | PDB |
| model_4 | -0.4334 | View | CSV | PDB |
| CABS_average | -0.4442 | View | CSV | PDB |
| model_0 | -0.446 | View | CSV | PDB |
| model_2 | -0.4468 | View | CSV | PDB |
| model_10 | -0.4473 | View | CSV | PDB |
| model_9 | -0.454 | View | CSV | PDB |
| model_5 | -0.4596 | View | CSV | PDB |
| model_3 | -0.4598 | View | CSV | PDB |
| model_6 | -0.4601 | View | CSV | PDB |
| model_8 | -0.4609 | View | CSV | PDB |
| input | -0.467 | 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