Project name: C44_E18_EF_GSG
Status: done
Started: 2026-07-21 11:10:37
| Chain sequence(s) |
A: SLDIQSLDIQCEELSDARWAELLPLLQGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGVRLDDCGLTEARCKDISSALRVGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELNLRSNELGDVGVHCVLQGLQGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGKLSLQNCCLTGAGCGVLSSTLRTGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELHLSDNLLGDAGLQLLCEGLLGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGKLQLEYCSLSAASCEPLASVLRAGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELTVSNNDINEAGVRVLCQGLKDGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGALKLESCGVTSDNCRDLCGIVASGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELALGSNKLGDVGMAELCPGLLGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGTLWIWECGITAKGCGDLCRVLRAGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELSLAGNELGDEGARLLCETLLGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGSLWVKSCSFTAACCSHFSSVLAQGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELQISNNRLEDAGVRELCQGLGGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGVLWLADCDVSDSSCSSLAATLLAGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGELDLSNNCLGDAGILQLVESVRGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGQLVLYDIYWSEEMEDRLQALEKDGSGPVLTHQIMYVPPGGPIPAKVDSYEWQTSTNPSVFWTEGSGRVIS
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 (00:10:10)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (03:26:22)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (03:26:31)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (03:26:41)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (03:26:51)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (03:27:01)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (03:27:10)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (03:27:20)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (03:27:30)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (03:27:40)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (03:27:50)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (03:27:59)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (03:28:09)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (03:28:19)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (03:28:40)
[INFO] Main: Simulation completed successfully. (03:28:51)
|
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
- -4.2383
- Maximal score value
- 3.0955
- Average score
- -0.1854
- Total score value
- -196.0064
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 | 0.1275 | |
| 2 | L | A | 0.5608 | |
| 3 | D | A | -1.0084 | |
| 4 | I | A | -0.6620 | |
| 5 | Q | A | -1.6075 | |
| 6 | S | A | -1.4754 | |
| 7 | L | A | 0.0000 | |
| 8 | D | A | -2.1700 | |
| 9 | I | A | -1.7582 | |
| 10 | Q | A | -2.2005 | |
| 11 | C | A | -1.1253 | |
| 12 | E | A | -1.9659 | |
| 13 | E | A | -2.8632 | |
| 14 | L | A | 0.0000 | |
| 15 | S | A | -2.0538 | |
| 16 | D | A | -2.4762 | |
| 17 | A | A | -1.6079 | |
| 18 | R | A | -2.0635 | |
| 19 | W | A | 0.0000 | |
| 20 | A | A | -1.4097 | |
| 21 | E | A | -2.1364 | |
| 22 | L | A | -1.0142 | |
| 23 | L | A | -0.5858 | |
| 24 | P | A | -0.7087 | |
| 25 | L | A | -0.3879 | |
| 26 | L | A | 0.0000 | |
| 27 | Q | A | -0.5998 | |
| 28 | G | A | -0.5075 | |
| 29 | S | A | -0.6071 | |
| 30 | G | A | -0.3007 | |
| 31 | P | A | 0.0291 | |
| 32 | V | A | 0.3288 | |
| 33 | L | A | 0.8255 | |
| 34 | T | A | 0.7344 | |
| 35 | H | A | 0.1935 | |
| 36 | Q | A | 1.3595 | |
| 37 | I | A | 2.9863 | |
| 38 | M | A | 2.1354 | |
| 39 | Y | A | 2.1877 | |
| 40 | V | A | 0.9738 | |
| 41 | P | A | 0.2656 | |
| 42 | P | A | -0.3057 | |
| 43 | G | A | -0.4793 | |
| 44 | G | A | -0.0232 | |
| 45 | P | A | 0.0407 | |
| 46 | I | A | 0.3863 | |
| 47 | P | A | -0.0075 | |
| 48 | A | A | -0.4298 | |
| 49 | K | A | -1.1961 | |
| 50 | V | A | 0.2583 | |
| 51 | D | A | -1.2045 | |
| 52 | S | A | -0.3610 | |
| 53 | Y | A | 0.6638 | |
| 54 | E | A | -0.0270 | |
| 55 | W | A | 0.7360 | |
| 56 | Q | A | 0.6103 | |
| 57 | T | A | 0.4815 | |
| 58 | S | A | 0.1759 | |
| 59 | T | A | 0.2277 | |
| 60 | N | A | 0.0000 | |
| 61 | P | A | 1.4713 | |
| 62 | S | A | 0.0000 | |
| 63 | V | A | 2.8989 | |
| 64 | F | A | 0.0000 | |
| 65 | W | A | 1.1304 | |
| 66 | T | A | 0.0000 | |
| 67 | E | A | -1.9269 | |
| 68 | G | A | -1.6989 | |
| 69 | S | A | -1.2394 | |
| 70 | G | A | -1.2521 | |
| 71 | V | A | -0.9865 | |
| 72 | R | A | -1.9804 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | 0.0000 | |
| 75 | D | A | -2.6130 | |
| 76 | C | A | 0.0000 | |
| 77 | G | A | -1.9258 | |
| 78 | L | A | 0.0000 | |
| 79 | T | A | -1.6367 | |
| 80 | E | A | -2.2665 | |
| 81 | A | A | -1.1260 | |
| 82 | R | A | 0.0000 | |
| 83 | C | A | 0.0000 | |
| 84 | K | A | -2.2357 | |
| 85 | D | A | -1.6384 | |
| 86 | I | A | 0.0000 | |
| 87 | S | A | 0.0000 | |
| 88 | S | A | -0.9729 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | -0.7385 | |
| 91 | R | A | -1.4189 | |
| 92 | V | A | 0.4153 | |
| 93 | G | A | -0.3361 | |
| 94 | S | A | -0.3496 | |
| 95 | G | A | -0.1795 | |
| 96 | P | A | 0.7129 | |
| 97 | V | A | 0.7740 | |
| 98 | L | A | 1.2933 | |
| 99 | T | A | 0.7916 | |
| 100 | H | A | 0.5454 | |
| 101 | Q | A | 0.6580 | |
| 102 | I | A | 0.0000 | |
| 103 | M | A | 0.0000 | |
| 104 | Y | A | 1.2010 | |
| 105 | V | A | 0.0000 | |
| 106 | P | A | -0.0766 | |
| 107 | P | A | -0.4241 | |
| 108 | G | A | -0.5421 | |
| 109 | G | A | -0.0758 | |
| 110 | P | A | 0.0227 | |
| 111 | I | A | 0.4562 | |
| 112 | P | A | 0.0000 | |
| 113 | A | A | -0.2234 | |
| 114 | K | A | -0.9964 | |
| 115 | V | A | 0.3890 | |
| 116 | D | A | -1.2627 | |
| 117 | S | A | -0.5936 | |
| 118 | Y | A | 0.5788 | |
| 119 | E | A | -0.1555 | |
| 120 | W | A | 0.1810 | |
| 121 | Q | A | 0.0000 | |
| 122 | T | A | 0.1797 | |
| 123 | S | A | -0.1524 | |
| 124 | T | A | -0.0451 | |
| 125 | N | A | 0.0000 | |
| 126 | P | A | 0.7835 | |
| 127 | S | A | 1.2253 | |
| 128 | V | A | 2.2236 | |
| 129 | F | A | 1.6440 | |
| 130 | W | A | 1.0283 | |
| 131 | T | A | -0.1064 | |
| 132 | E | A | -1.1014 | |
| 133 | G | A | -1.3370 | |
| 134 | S | A | -1.4140 | |
| 135 | G | A | -0.9203 | |
| 136 | E | A | -1.1178 | |
| 137 | L | A | 0.0000 | |
| 138 | N | A | -1.1162 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -2.1577 | |
| 141 | S | A | -1.8729 | |
| 142 | N | A | 0.0000 | |
| 143 | E | A | -2.6008 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | -0.6388 | |
| 146 | D | A | -0.1062 | |
| 147 | V | A | 0.7457 | |
| 148 | G | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | H | A | -0.7707 | |
| 151 | C | A | -0.9574 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | Q | A | -1.8008 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | -0.8593 | |
| 157 | Q | A | -1.3533 | |
| 158 | G | A | -1.1182 | |
| 159 | S | A | -0.6538 | |
| 160 | G | A | -0.5320 | |
| 161 | P | A | 0.9471 | |
| 162 | V | A | 2.1088 | |
| 163 | L | A | 2.2340 | |
| 164 | T | A | 1.1686 | |
| 165 | H | A | 0.8032 | |
| 166 | Q | A | 0.7651 | |
| 167 | I | A | 1.3506 | |
| 168 | M | A | 0.0000 | |
| 169 | Y | A | 1.0874 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.1941 | |
| 172 | P | A | -0.4758 | |
| 173 | G | A | -0.6118 | |
| 174 | G | A | -0.3274 | |
| 175 | P | A | -0.2057 | |
| 176 | I | A | 0.0963 | |
| 177 | P | A | 0.0000 | |
| 178 | A | A | -0.3368 | |
| 179 | K | A | -1.0217 | |
| 180 | V | A | 0.4039 | |
| 181 | D | A | -1.2588 | |
| 182 | S | A | -0.4754 | |
| 183 | Y | A | 0.5894 | |
| 184 | E | A | -0.1817 | |
| 185 | W | A | 0.2119 | |
| 186 | Q | A | 0.0000 | |
| 187 | T | A | 0.3380 | |
| 188 | S | A | 0.0737 | |
| 189 | T | A | 0.0270 | |
| 190 | N | A | 0.0000 | |
| 191 | P | A | 0.8653 | |
| 192 | S | A | 0.0000 | |
| 193 | V | A | 2.4320 | |
| 194 | F | A | 0.0000 | |
| 195 | W | A | 0.6857 | |
| 196 | T | A | 0.2995 | |
| 197 | E | A | -0.5763 | |
| 198 | G | A | -0.6523 | |
| 199 | S | A | -0.9951 | |
| 200 | G | A | -1.1872 | |
| 201 | K | A | -1.3686 | |
| 202 | L | A | -0.6287 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -1.0907 | |
| 206 | N | A | -1.5000 | |
| 207 | C | A | 0.0000 | |
| 208 | C | A | -0.0255 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | 0.5411 | |
| 211 | G | A | 0.1694 | |
| 212 | A | A | 0.3769 | |
| 213 | G | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | G | A | -0.1933 | |
| 216 | V | A | 0.0025 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | -0.6297 | |
| 219 | S | A | -0.9219 | |
| 220 | T | A | -1.0848 | |
| 221 | L | A | -1.1089 | |
| 222 | R | A | -2.2407 | |
| 223 | T | A | -1.4881 | |
| 224 | G | A | -1.2473 | |
| 225 | S | A | -0.8683 | |
| 226 | G | A | -0.3278 | |
| 227 | P | A | 0.8797 | |
| 228 | V | A | 1.9205 | |
| 229 | L | A | 2.4116 | |
| 230 | T | A | 1.1029 | |
| 231 | H | A | 0.6297 | |
| 232 | Q | A | 0.5076 | |
| 233 | I | A | 0.0000 | |
| 234 | M | A | 0.0000 | |
| 235 | Y | A | 1.2648 | |
| 236 | V | A | 0.0000 | |
| 237 | P | A | -0.1186 | |
| 238 | P | A | -0.4454 | |
| 239 | G | A | -0.5793 | |
| 240 | G | A | -0.1577 | |
| 241 | P | A | -0.1066 | |
| 242 | I | A | 0.3238 | |
| 243 | P | A | 0.0000 | |
| 244 | A | A | -0.3269 | |
| 245 | K | A | -1.0164 | |
| 246 | V | A | 0.3850 | |
| 247 | D | A | -1.3052 | |
| 248 | S | A | -0.5334 | |
| 249 | Y | A | 0.4334 | |
| 250 | E | A | -0.2139 | |
| 251 | W | A | 0.0244 | |
| 252 | Q | A | 0.0000 | |
| 253 | T | A | 0.2875 | |
| 254 | S | A | -0.0016 | |
| 255 | T | A | -0.0318 | |
| 256 | N | A | 0.0000 | |
| 257 | P | A | 0.8857 | |
| 258 | S | A | 1.2956 | |
| 259 | V | A | 1.9557 | |
| 260 | F | A | 0.0000 | |
| 261 | W | A | 0.6402 | |
| 262 | T | A | 0.0000 | |
| 263 | E | A | -0.5866 | |
| 264 | G | A | -0.5446 | |
| 265 | S | A | -1.1014 | |
| 266 | G | A | -1.1760 | |
| 267 | E | A | -1.2392 | |
| 268 | L | A | 0.0000 | |
| 269 | H | A | -0.8696 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | D | A | -0.5072 | |
| 273 | N | A | 0.0000 | |
| 274 | L | A | 1.4739 | |
| 275 | L | A | 0.0000 | |
| 276 | G | A | 0.0458 | |
| 277 | D | A | -0.5615 | |
| 278 | A | A | -0.2905 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | Q | A | -1.0008 | |
| 282 | L | A | -0.0786 | |
| 283 | L | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | E | A | -1.6152 | |
| 286 | G | A | 0.0000 | |
| 287 | L | A | -0.3937 | |
| 288 | L | A | -0.4078 | |
| 289 | G | A | -0.9304 | |
| 290 | S | A | -0.9502 | |
| 291 | G | A | -0.2657 | |
| 292 | P | A | 1.0671 | |
| 293 | V | A | 2.4065 | |
| 294 | L | A | 2.3053 | |
| 295 | T | A | 1.1383 | |
| 296 | H | A | 0.6546 | |
| 297 | Q | A | 0.4297 | |
| 298 | I | A | 0.0000 | |
| 299 | M | A | 0.0000 | |
| 300 | Y | A | 0.8658 | |
| 301 | V | A | 0.0000 | |
| 302 | P | A | -0.2408 | |
| 303 | P | A | -0.4866 | |
| 304 | G | A | -0.5820 | |
| 305 | G | A | -0.2952 | |
| 306 | P | A | -0.0995 | |
| 307 | I | A | 0.3140 | |
| 308 | P | A | 0.0000 | |
| 309 | A | A | -0.3240 | |
| 310 | K | A | -1.0281 | |
| 311 | V | A | 0.3813 | |
| 312 | D | A | -1.2791 | |
| 313 | S | A | -0.5080 | |
| 314 | Y | A | 0.4803 | |
| 315 | E | A | -0.0964 | |
| 316 | W | A | 0.0114 | |
| 317 | Q | A | 0.2555 | |
| 318 | T | A | 0.0000 | |
| 319 | S | A | 0.0000 | |
| 320 | T | A | -0.0048 | |
| 321 | N | A | 0.0000 | |
| 322 | P | A | 0.7684 | |
| 323 | S | A | 0.0000 | |
| 324 | V | A | 2.4247 | |
| 325 | F | A | 0.0000 | |
| 326 | W | A | 0.6723 | |
| 327 | T | A | 0.5658 | |
| 328 | E | A | -0.4167 | |
| 329 | G | A | -0.5732 | |
| 330 | S | A | -1.0166 | |
| 331 | G | A | -1.2316 | |
| 332 | K | A | -1.3331 | |
| 333 | L | A | -0.6319 | |
| 334 | Q | A | -0.5383 | |
| 335 | L | A | 0.0000 | |
| 336 | E | A | -0.1531 | |
| 337 | Y | A | 0.5866 | |
| 338 | C | A | 0.0000 | |
| 339 | S | A | -0.1016 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -1.0098 | |
| 342 | A | A | -1.2028 | |
| 343 | A | A | -0.5968 | |
| 344 | S | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | E | A | -1.8384 | |
| 347 | P | A | -1.3343 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | S | A | -1.4205 | |
| 351 | V | A | -0.7223 | |
| 352 | L | A | -1.2561 | |
| 353 | R | A | -2.4542 | |
| 354 | A | A | -0.9773 | |
| 355 | G | A | -0.6971 | |
| 356 | S | A | -0.7156 | |
| 357 | G | A | -0.4326 | |
| 358 | P | A | 0.9511 | |
| 359 | V | A | 2.3674 | |
| 360 | L | A | 2.4869 | |
| 361 | T | A | 1.2820 | |
| 362 | H | A | 0.6796 | |
| 363 | Q | A | 0.5686 | |
| 364 | I | A | 0.0000 | |
| 365 | M | A | 0.0000 | |
| 366 | Y | A | 1.1996 | |
| 367 | V | A | 0.0000 | |
| 368 | P | A | -0.1918 | |
| 369 | P | A | -0.4745 | |
| 370 | G | A | -0.5530 | |
| 371 | G | A | -0.2422 | |
| 372 | P | A | -0.0521 | |
| 373 | I | A | 0.4116 | |
| 374 | P | A | 0.0000 | |
| 375 | A | A | -0.3305 | |
| 376 | K | A | -1.0685 | |
| 377 | V | A | 0.3280 | |
| 378 | D | A | -1.3794 | |
| 379 | S | A | -0.8974 | |
| 380 | Y | A | 0.0006 | |
| 381 | E | A | -0.5416 | |
| 382 | W | A | -0.2232 | |
| 383 | Q | A | 0.2993 | |
| 384 | T | A | 0.0000 | |
| 385 | S | A | 0.0715 | |
| 386 | T | A | -0.0092 | |
| 387 | N | A | 0.0000 | |
| 388 | P | A | 0.8260 | |
| 389 | S | A | 0.0000 | |
| 390 | V | A | 2.5491 | |
| 391 | F | A | 0.0000 | |
| 392 | W | A | 0.7098 | |
| 393 | T | A | 0.5333 | |
| 394 | E | A | -0.3567 | |
| 395 | G | A | -0.4640 | |
| 396 | S | A | -0.9482 | |
| 397 | G | A | -1.1024 | |
| 398 | E | A | -1.0944 | |
| 399 | L | A | 0.0000 | |
| 400 | T | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | N | A | -0.5436 | |
| 404 | N | A | 0.0000 | |
| 405 | D | A | -2.1177 | |
| 406 | I | A | 0.0000 | |
| 407 | N | A | -1.9892 | |
| 408 | E | A | -2.2174 | |
| 409 | A | A | -1.1026 | |
| 410 | G | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | R | A | -2.4686 | |
| 413 | V | A | -1.3257 | |
| 414 | L | A | 0.0000 | |
| 415 | C | A | 0.0000 | |
| 416 | Q | A | -2.2040 | |
| 417 | G | A | 0.0000 | |
| 418 | L | A | -1.4912 | |
| 419 | K | A | -1.9550 | |
| 420 | D | A | -2.6434 | |
| 421 | G | A | 0.0000 | |
| 422 | S | A | -0.9403 | |
| 423 | G | A | -0.7365 | |
| 424 | P | A | 0.5008 | |
| 425 | V | A | 1.8386 | |
| 426 | L | A | 2.0930 | |
| 427 | T | A | 0.9679 | |
| 428 | H | A | 0.4852 | |
| 429 | Q | A | 0.5037 | |
| 430 | I | A | 0.0000 | |
| 431 | M | A | 0.0000 | |
| 432 | Y | A | 1.2921 | |
| 433 | V | A | 0.0000 | |
| 434 | P | A | -0.1738 | |
| 435 | P | A | -0.4788 | |
| 436 | G | A | -0.5618 | |
| 437 | G | A | -0.2069 | |
| 438 | P | A | -0.0276 | |
| 439 | I | A | 0.3367 | |
| 440 | P | A | 0.0000 | |
| 441 | A | A | -0.4213 | |
| 442 | K | A | -1.1462 | |
| 443 | V | A | 0.2877 | |
| 444 | D | A | -1.3103 | |
| 445 | S | A | -0.5442 | |
| 446 | Y | A | 0.3961 | |
| 447 | E | A | -0.0984 | |
| 448 | W | A | -0.0699 | |
| 449 | Q | A | 0.2439 | |
| 450 | T | A | 0.3321 | |
| 451 | S | A | 0.0539 | |
| 452 | T | A | -0.0065 | |
| 453 | N | A | 0.0000 | |
| 454 | P | A | 0.7928 | |
| 455 | S | A | 0.0000 | |
| 456 | V | A | 2.5232 | |
| 457 | F | A | 0.0000 | |
| 458 | W | A | 0.8153 | |
| 459 | T | A | 0.0000 | |
| 460 | E | A | -0.2840 | |
| 461 | G | A | -0.5135 | |
| 462 | S | A | -0.8803 | |
| 463 | G | A | -1.1123 | |
| 464 | A | A | -0.8516 | |
| 465 | L | A | 0.0000 | |
| 466 | K | A | -0.5388 | |
| 467 | L | A | 0.0000 | |
| 468 | E | A | -0.5645 | |
| 469 | S | A | -1.0308 | |
| 470 | C | A | 0.0000 | |
| 471 | G | A | -1.5425 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -1.5911 | |
| 474 | S | A | -1.4598 | |
| 475 | D | A | -2.7455 | |
| 476 | N | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | R | A | -2.8016 | |
| 479 | D | A | -2.0553 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | -0.8115 | |
| 482 | G | A | -0.9135 | |
| 483 | I | A | -0.6781 | |
| 484 | V | A | -0.3091 | |
| 485 | A | A | -0.2515 | |
| 486 | S | A | -0.3500 | |
| 487 | G | A | -0.5436 | |
| 488 | S | A | -0.3249 | |
| 489 | G | A | 0.1061 | |
| 490 | P | A | 0.8139 | |
| 491 | V | A | 1.6166 | |
| 492 | L | A | 2.1987 | |
| 493 | T | A | 1.1567 | |
| 494 | H | A | 0.5411 | |
| 495 | Q | A | 0.5213 | |
| 496 | I | A | 0.0000 | |
| 497 | M | A | 0.0000 | |
| 498 | Y | A | 1.1913 | |
| 499 | V | A | 0.0000 | |
| 500 | P | A | -0.1858 | |
| 501 | P | A | -0.4726 | |
| 502 | G | A | -0.5685 | |
| 503 | G | A | -0.1672 | |
| 504 | P | A | -0.0854 | |
| 505 | I | A | 0.3547 | |
| 506 | P | A | 0.0000 | |
| 507 | A | A | -0.3283 | |
| 508 | K | A | -1.0557 | |
| 509 | V | A | 0.3503 | |
| 510 | D | A | -1.3391 | |
| 511 | S | A | -0.6334 | |
| 512 | Y | A | 0.2617 | |
| 513 | E | A | -0.2539 | |
| 514 | W | A | -0.1477 | |
| 515 | Q | A | 0.2813 | |
| 516 | T | A | 0.0000 | |
| 517 | S | A | 0.0000 | |
| 518 | T | A | 0.0514 | |
| 519 | N | A | 0.0000 | |
| 520 | P | A | 0.8011 | |
| 521 | S | A | 0.0000 | |
| 522 | V | A | 2.3681 | |
| 523 | F | A | 0.0000 | |
| 524 | W | A | 0.8101 | |
| 525 | T | A | 0.0000 | |
| 526 | E | A | -0.4151 | |
| 527 | G | A | -0.7126 | |
| 528 | S | A | -1.0103 | |
| 529 | G | A | -1.0159 | |
| 530 | E | A | -0.9233 | |
| 531 | L | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | S | A | -1.1536 | |
| 536 | N | A | 0.0000 | |
| 537 | K | A | -2.1937 | |
| 538 | L | A | 0.0000 | |
| 539 | G | A | -0.7758 | |
| 540 | D | A | -0.5600 | |
| 541 | V | A | 0.7001 | |
| 542 | G | A | 0.0000 | |
| 543 | M | A | 0.0000 | |
| 544 | A | A | -0.4255 | |
| 545 | E | A | -1.1426 | |
| 546 | L | A | 0.0000 | |
| 547 | C | A | 0.0000 | |
| 548 | P | A | -0.7532 | |
| 549 | G | A | 0.0000 | |
| 550 | L | A | 0.1353 | |
| 551 | L | A | -0.3041 | |
| 552 | G | A | -0.2697 | |
| 553 | S | A | 0.1208 | |
| 554 | G | A | 0.1099 | |
| 555 | P | A | 1.1966 | |
| 556 | V | A | 1.9707 | |
| 557 | L | A | 2.2559 | |
| 558 | T | A | 1.0545 | |
| 559 | H | A | 0.1889 | |
| 560 | Q | A | 0.2134 | |
| 561 | I | A | 0.0000 | |
| 562 | M | A | 0.0000 | |
| 563 | Y | A | 1.2172 | |
| 564 | V | A | 0.0000 | |
| 565 | P | A | -0.1841 | |
| 566 | P | A | -0.4538 | |
| 567 | G | A | -0.5051 | |
| 568 | G | A | -0.0716 | |
| 569 | P | A | 0.1698 | |
| 570 | I | A | 0.7374 | |
| 571 | P | A | 0.0000 | |
| 572 | A | A | -0.3075 | |
| 573 | K | A | -1.0229 | |
| 574 | V | A | 0.3448 | |
| 575 | D | A | -1.3396 | |
| 576 | S | A | -0.5728 | |
| 577 | Y | A | 0.2988 | |
| 578 | E | A | -0.2037 | |
| 579 | W | A | 0.0024 | |
| 580 | Q | A | 0.6475 | |
| 581 | T | A | 0.0000 | |
| 582 | S | A | 0.0000 | |
| 583 | T | A | 0.1643 | |
| 584 | N | A | 0.0000 | |
| 585 | P | A | 0.7606 | |
| 586 | S | A | 0.0000 | |
| 587 | V | A | 1.8398 | |
| 588 | F | A | 0.0000 | |
| 589 | W | A | 0.6515 | |
| 590 | T | A | 0.3736 | |
| 591 | E | A | -0.5537 | |
| 592 | G | A | -0.7701 | |
| 593 | S | A | -1.0568 | |
| 594 | G | A | -1.0042 | |
| 595 | T | A | -0.6323 | |
| 596 | L | A | -0.1245 | |
| 597 | W | A | 0.0216 | |
| 598 | I | A | 0.0000 | |
| 599 | W | A | -0.5440 | |
| 600 | E | A | -2.1340 | |
| 601 | C | A | 0.0000 | |
| 602 | G | A | -1.8575 | |
| 603 | I | A | 0.0000 | |
| 604 | T | A | -1.6360 | |
| 605 | A | A | -1.8371 | |
| 606 | K | A | -1.9786 | |
| 607 | G | A | 0.0000 | |
| 608 | C | A | 0.0000 | |
| 609 | G | A | -1.7699 | |
| 610 | D | A | -1.9766 | |
| 611 | L | A | 0.0000 | |
| 612 | C | A | 0.0000 | |
| 613 | R | A | -2.5801 | |
| 614 | V | A | 0.0000 | |
| 615 | L | A | -1.2060 | |
| 616 | R | A | -2.2859 | |
| 617 | A | A | -1.2789 | |
| 618 | G | A | -0.5939 | |
| 619 | S | A | -0.4862 | |
| 620 | G | A | -0.1007 | |
| 621 | P | A | 1.2739 | |
| 622 | V | A | 2.8436 | |
| 623 | L | A | 2.7615 | |
| 624 | T | A | 1.5792 | |
| 625 | H | A | 0.4343 | |
| 626 | Q | A | 0.3190 | |
| 627 | I | A | 0.0000 | |
| 628 | M | A | 0.0000 | |
| 629 | Y | A | 1.2261 | |
| 630 | V | A | 0.0000 | |
| 631 | P | A | -0.1399 | |
| 632 | P | A | -0.4609 | |
| 633 | G | A | -0.4967 | |
| 634 | G | A | -0.0459 | |
| 635 | P | A | 0.1944 | |
| 636 | I | A | 0.8513 | |
| 637 | P | A | 0.0000 | |
| 638 | A | A | -0.2903 | |
| 639 | K | A | -1.0943 | |
| 640 | V | A | 0.3276 | |
| 641 | D | A | -1.1648 | |
| 642 | S | A | -0.6129 | |
| 643 | Y | A | 0.2093 | |
| 644 | E | A | -0.2821 | |
| 645 | W | A | -0.0232 | |
| 646 | Q | A | 0.3423 | |
| 647 | T | A | 0.0000 | |
| 648 | S | A | 0.0000 | |
| 649 | T | A | 0.0992 | |
| 650 | N | A | 0.0000 | |
| 651 | P | A | 0.7368 | |
| 652 | S | A | 1.1080 | |
| 653 | V | A | 1.8349 | |
| 654 | F | A | 1.1785 | |
| 655 | W | A | 0.7131 | |
| 656 | T | A | 0.0000 | |
| 657 | E | A | -0.4522 | |
| 658 | G | A | -0.6956 | |
| 659 | S | A | -1.0534 | |
| 660 | G | A | -0.9826 | |
| 661 | E | A | -0.7606 | |
| 662 | L | A | 0.0000 | |
| 663 | S | A | 0.0000 | |
| 664 | L | A | 0.0000 | |
| 665 | A | A | -0.8469 | |
| 666 | G | A | -1.4781 | |
| 667 | N | A | 0.0000 | |
| 668 | E | A | -2.3412 | |
| 669 | L | A | 0.0000 | |
| 670 | G | A | -1.4241 | |
| 671 | D | A | -1.5472 | |
| 672 | E | A | -1.7866 | |
| 673 | G | A | 0.0000 | |
| 674 | A | A | 0.0000 | |
| 675 | R | A | -1.4744 | |
| 676 | L | A | -1.2848 | |
| 677 | L | A | 0.0000 | |
| 678 | C | A | 0.0000 | |
| 679 | E | A | -1.3635 | |
| 680 | T | A | 0.0000 | |
| 681 | L | A | -0.2608 | |
| 682 | L | A | -0.2665 | |
| 683 | G | A | -0.8239 | |
| 684 | S | A | -0.0660 | |
| 685 | G | A | 0.2434 | |
| 686 | P | A | 1.0198 | |
| 687 | V | A | 2.5089 | |
| 688 | L | A | 2.5030 | |
| 689 | T | A | 1.2908 | |
| 690 | H | A | 0.3119 | |
| 691 | Q | A | 0.1824 | |
| 692 | I | A | 0.0000 | |
| 693 | M | A | 0.0000 | |
| 694 | Y | A | 0.9393 | |
| 695 | V | A | 0.0000 | |
| 696 | P | A | -0.1422 | |
| 697 | P | A | -0.4503 | |
| 698 | G | A | -0.5162 | |
| 699 | G | A | 0.0000 | |
| 700 | P | A | -0.0011 | |
| 701 | I | A | 0.5274 | |
| 702 | P | A | 0.0000 | |
| 703 | A | A | -0.3500 | |
| 704 | K | A | -1.1409 | |
| 705 | V | A | 0.1215 | |
| 706 | D | A | -1.3684 | |
| 707 | S | A | -0.6856 | |
| 708 | Y | A | 0.1162 | |
| 709 | E | A | -0.3702 | |
| 710 | W | A | 0.0000 | |
| 711 | Q | A | 0.1289 | |
| 712 | T | A | 0.2452 | |
| 713 | S | A | 0.0618 | |
| 714 | T | A | 0.0666 | |
| 715 | N | A | 0.0000 | |
| 716 | P | A | 0.6380 | |
| 717 | S | A | 1.0029 | |
| 718 | V | A | 1.7221 | |
| 719 | F | A | 0.0000 | |
| 720 | W | A | 0.6328 | |
| 721 | T | A | 0.4336 | |
| 722 | E | A | -0.5395 | |
| 723 | G | A | -0.7880 | |
| 724 | S | A | -1.1331 | |
| 725 | G | A | -1.0308 | |
| 726 | S | A | -0.5255 | |
| 727 | L | A | -0.1561 | |
| 728 | W | A | 0.0955 | |
| 729 | V | A | 0.0000 | |
| 730 | K | A | -0.9306 | |
| 731 | S | A | -1.6962 | |
| 732 | C | A | 0.0000 | |
| 733 | S | A | -1.5581 | |
| 734 | F | A | 0.0000 | |
| 735 | T | A | -1.1218 | |
| 736 | A | A | -1.2651 | |
| 737 | A | A | -0.6750 | |
| 738 | C | A | 0.0000 | |
| 739 | C | A | 0.0000 | |
| 740 | S | A | -0.9591 | |
| 741 | H | A | -0.7484 | |
| 742 | F | A | 0.0000 | |
| 743 | S | A | -0.9982 | |
| 744 | S | A | -0.5711 | |
| 745 | V | A | -0.0747 | |
| 746 | L | A | -0.2763 | |
| 747 | A | A | -0.6393 | |
| 748 | Q | A | -0.5676 | |
| 749 | G | A | -0.3939 | |
| 750 | S | A | -0.3435 | |
| 751 | G | A | 0.1985 | |
| 752 | P | A | 1.2295 | |
| 753 | V | A | 2.1252 | |
| 754 | L | A | 2.5043 | |
| 755 | T | A | 1.2831 | |
| 756 | H | A | 0.2298 | |
| 757 | Q | A | 0.1710 | |
| 758 | I | A | 0.0000 | |
| 759 | M | A | 0.0000 | |
| 760 | Y | A | 0.8847 | |
| 761 | V | A | 0.0000 | |
| 762 | P | A | -0.1498 | |
| 763 | P | A | -0.4570 | |
| 764 | G | A | -0.5566 | |
| 765 | G | A | -0.2341 | |
| 766 | P | A | -0.0976 | |
| 767 | I | A | 0.3251 | |
| 768 | P | A | 0.0000 | |
| 769 | A | A | -0.4600 | |
| 770 | K | A | -1.1660 | |
| 771 | V | A | 0.2416 | |
| 772 | D | A | -1.2961 | |
| 773 | S | A | -0.9480 | |
| 774 | Y | A | -0.3076 | |
| 775 | E | A | -0.6766 | |
| 776 | W | A | -0.4274 | |
| 777 | Q | A | 0.1226 | |
| 778 | T | A | 0.0000 | |
| 779 | S | A | 0.2432 | |
| 780 | T | A | 0.1377 | |
| 781 | N | A | 0.0000 | |
| 782 | P | A | 0.7358 | |
| 783 | S | A | 1.1511 | |
| 784 | V | A | 1.9217 | |
| 785 | F | A | 0.0000 | |
| 786 | W | A | 0.6535 | |
| 787 | T | A | 0.0000 | |
| 788 | E | A | -0.5752 | |
| 789 | G | A | -0.8786 | |
| 790 | S | A | -1.0097 | |
| 791 | G | A | -0.9148 | |
| 792 | E | A | -0.5231 | |
| 793 | L | A | 0.0000 | |
| 794 | Q | A | 0.0000 | |
| 795 | I | A | 0.0000 | |
| 796 | S | A | 0.0000 | |
| 797 | N | A | -2.3966 | |
| 798 | N | A | 0.0000 | |
| 799 | R | A | -3.0223 | |
| 800 | L | A | 0.0000 | |
| 801 | E | A | -2.7392 | |
| 802 | D | A | -2.1792 | |
| 803 | A | A | -1.3820 | |
| 804 | G | A | 0.0000 | |
| 805 | V | A | 0.0000 | |
| 806 | R | A | -2.8053 | |
| 807 | E | A | -2.4844 | |
| 808 | L | A | 0.0000 | |
| 809 | C | A | 0.0000 | |
| 810 | Q | A | -2.1996 | |
| 811 | G | A | 0.0000 | |
| 812 | L | A | -0.9396 | |
| 813 | G | A | -1.2080 | |
| 814 | G | A | -1.0683 | |
| 815 | S | A | -0.3599 | |
| 816 | G | A | -0.1207 | |
| 817 | P | A | 0.8362 | |
| 818 | V | A | 2.3886 | |
| 819 | L | A | 2.0695 | |
| 820 | T | A | 0.9618 | |
| 821 | H | A | 0.2749 | |
| 822 | Q | A | 0.2929 | |
| 823 | I | A | 0.0000 | |
| 824 | M | A | 0.0000 | |
| 825 | Y | A | 0.9346 | |
| 826 | V | A | 0.0000 | |
| 827 | P | A | -0.1208 | |
| 828 | P | A | -0.4312 | |
| 829 | G | A | -0.4531 | |
| 830 | G | A | 0.0000 | |
| 831 | P | A | 0.2598 | |
| 832 | I | A | 0.8618 | |
| 833 | P | A | 0.0000 | |
| 834 | A | A | -0.3623 | |
| 835 | K | A | -1.0987 | |
| 836 | V | A | 0.0532 | |
| 837 | D | A | -1.3414 | |
| 838 | S | A | -0.5696 | |
| 839 | Y | A | 0.2217 | |
| 840 | E | A | -0.1075 | |
| 841 | W | A | 0.0000 | |
| 842 | Q | A | 0.2394 | |
| 843 | T | A | 0.3391 | |
| 844 | S | A | 0.0960 | |
| 845 | T | A | 0.0192 | |
| 846 | N | A | 0.0000 | |
| 847 | P | A | 0.7515 | |
| 848 | S | A | 1.2650 | |
| 849 | V | A | 2.1903 | |
| 850 | F | A | 0.0000 | |
| 851 | W | A | 0.6416 | |
| 852 | T | A | 0.4542 | |
| 853 | E | A | -0.5831 | |
| 854 | G | A | -0.7455 | |
| 855 | S | A | -0.9761 | |
| 856 | G | A | -0.7447 | |
| 857 | V | A | -0.1355 | |
| 858 | L | A | 0.0000 | |
| 859 | W | A | 0.0239 | |
| 860 | L | A | 0.0000 | |
| 861 | A | A | -1.0500 | |
| 862 | D | A | -2.2497 | |
| 863 | C | A | 0.0000 | |
| 864 | D | A | -2.4070 | |
| 865 | V | A | 0.0000 | |
| 866 | S | A | -0.8131 | |
| 867 | D | A | -1.0437 | |
| 868 | S | A | -1.0869 | |
| 869 | S | A | 0.0000 | |
| 870 | C | A | 0.0000 | |
| 871 | S | A | -0.6838 | |
| 872 | S | A | -0.9938 | |
| 873 | L | A | 0.0000 | |
| 874 | A | A | 0.0000 | |
| 875 | A | A | 0.0576 | |
| 876 | T | A | -0.2298 | |
| 877 | L | A | 0.3111 | |
| 878 | L | A | 0.3421 | |
| 879 | A | A | 0.1121 | |
| 880 | G | A | -0.1575 | |
| 881 | S | A | -0.0184 | |
| 882 | G | A | 0.3729 | |
| 883 | P | A | 1.1508 | |
| 884 | V | A | 2.2042 | |
| 885 | L | A | 2.2766 | |
| 886 | T | A | 1.1536 | |
| 887 | H | A | 0.5417 | |
| 888 | Q | A | 0.4677 | |
| 889 | I | A | 0.0000 | |
| 890 | M | A | 0.0000 | |
| 891 | Y | A | 0.9881 | |
| 892 | V | A | 0.0000 | |
| 893 | P | A | -0.1353 | |
| 894 | P | A | -0.4545 | |
| 895 | G | A | -0.5666 | |
| 896 | G | A | -0.2046 | |
| 897 | P | A | -0.0577 | |
| 898 | I | A | 0.3668 | |
| 899 | P | A | 0.0000 | |
| 900 | A | A | -0.3336 | |
| 901 | K | A | -1.0249 | |
| 902 | V | A | 0.3672 | |
| 903 | D | A | -1.2844 | |
| 904 | S | A | -0.5058 | |
| 905 | Y | A | 0.4307 | |
| 906 | E | A | -0.2233 | |
| 907 | W | A | 0.0000 | |
| 908 | Q | A | 0.0842 | |
| 909 | T | A | 0.0000 | |
| 910 | S | A | 0.1683 | |
| 911 | T | A | 0.0316 | |
| 912 | N | A | 0.0000 | |
| 913 | P | A | 0.8872 | |
| 914 | S | A | 1.2920 | |
| 915 | V | A | 2.1704 | |
| 916 | F | A | 0.0000 | |
| 917 | W | A | 0.9895 | |
| 918 | T | A | 0.3095 | |
| 919 | E | A | -0.5727 | |
| 920 | G | A | -0.7257 | |
| 921 | S | A | -0.8521 | |
| 922 | G | A | -0.8261 | |
| 923 | E | A | -0.7575 | |
| 924 | L | A | 0.0000 | |
| 925 | D | A | 0.0000 | |
| 926 | L | A | 0.0000 | |
| 927 | S | A | 0.0000 | |
| 928 | N | A | -1.2718 | |
| 929 | N | A | 0.0000 | |
| 930 | C | A | 0.0264 | |
| 931 | L | A | 0.0000 | |
| 932 | G | A | -0.2067 | |
| 933 | D | A | -1.2111 | |
| 934 | A | A | -0.5460 | |
| 935 | G | A | 0.0000 | |
| 936 | I | A | 0.0000 | |
| 937 | L | A | -0.6927 | |
| 938 | Q | A | -1.1798 | |
| 939 | L | A | 0.0000 | |
| 940 | V | A | 0.0000 | |
| 941 | E | A | -2.1853 | |
| 942 | S | A | 0.0000 | |
| 943 | V | A | -1.1355 | |
| 944 | R | A | -2.3358 | |
| 945 | G | A | -1.5027 | |
| 946 | S | A | -0.5870 | |
| 947 | G | A | -0.3784 | |
| 948 | P | A | 0.6056 | |
| 949 | V | A | 2.3610 | |
| 950 | L | A | 2.4080 | |
| 951 | T | A | 1.1480 | |
| 952 | H | A | 0.5838 | |
| 953 | Q | A | 0.5064 | |
| 954 | I | A | 0.0000 | |
| 955 | M | A | 0.0000 | |
| 956 | Y | A | 0.8707 | |
| 957 | V | A | 0.0000 | |
| 958 | P | A | -0.1756 | |
| 959 | P | A | -0.4708 | |
| 960 | G | A | -0.5353 | |
| 961 | G | A | -0.1701 | |
| 962 | P | A | 0.0583 | |
| 963 | I | A | 0.5569 | |
| 964 | P | A | 0.0000 | |
| 965 | A | A | -0.1998 | |
| 966 | K | A | -1.0054 | |
| 967 | V | A | 0.3989 | |
| 968 | D | A | -1.2578 | |
| 969 | S | A | -0.4237 | |
| 970 | Y | A | 0.5199 | |
| 971 | E | A | -0.1470 | |
| 972 | W | A | 0.0000 | |
| 973 | Q | A | 0.2379 | |
| 974 | T | A | 0.3261 | |
| 975 | S | A | 0.0715 | |
| 976 | T | A | -0.0405 | |
| 977 | N | A | 0.0000 | |
| 978 | P | A | 0.7797 | |
| 979 | S | A | 1.3021 | |
| 980 | V | A | 2.5969 | |
| 981 | F | A | 1.8123 | |
| 982 | W | A | 0.9721 | |
| 983 | T | A | 0.1654 | |
| 984 | E | A | -0.7199 | |
| 985 | G | A | -0.7052 | |
| 986 | S | A | -1.2733 | |
| 987 | G | A | -1.2055 | |
| 988 | Q | A | -1.0682 | |
| 989 | L | A | 0.0000 | |
| 990 | V | A | 0.2434 | |
| 991 | L | A | 0.0000 | |
| 992 | Y | A | 0.5715 | |
| 993 | D | A | -0.9970 | |
| 994 | I | A | 0.0000 | |
| 995 | Y | A | 0.7569 | |
| 996 | W | A | -0.4858 | |
| 997 | S | A | -1.9000 | |
| 998 | E | A | -3.5044 | |
| 999 | E | A | -3.9311 | |
| 1000 | M | A | 0.0000 | |
| 1001 | E | A | -3.2859 | |
| 1002 | D | A | -4.2300 | |
| 1003 | R | A | -3.6750 | |
| 1004 | L | A | 0.0000 | |
| 1005 | Q | A | -3.2439 | |
| 1006 | A | A | -2.9884 | |
| 1007 | L | A | -3.4936 | |
| 1008 | E | A | -4.2383 | |
| 1009 | K | A | -3.9851 | |
| 1010 | D | A | -3.7561 | |
| 1011 | G | A | -3.2400 | |
| 1012 | S | A | -2.2893 | |
| 1013 | G | A | -1.1451 | |
| 1014 | P | A | 0.5772 | |
| 1015 | V | A | 1.9384 | |
| 1016 | L | A | 1.9237 | |
| 1017 | T | A | 1.1366 | |
| 1018 | H | A | 1.1321 | |
| 1019 | Q | A | 1.1111 | |
| 1020 | I | A | 1.6203 | |
| 1021 | M | A | 0.0000 | |
| 1022 | Y | A | 0.9130 | |
| 1023 | V | A | 0.0000 | |
| 1024 | P | A | -0.1853 | |
| 1025 | P | A | -0.4595 | |
| 1026 | G | A | -0.5499 | |
| 1027 | G | A | -0.1550 | |
| 1028 | P | A | -0.1269 | |
| 1029 | I | A | 0.3307 | |
| 1030 | P | A | 0.0000 | |
| 1031 | A | A | -0.1873 | |
| 1032 | K | A | -0.9922 | |
| 1033 | V | A | 0.4090 | |
| 1034 | D | A | -1.2405 | |
| 1035 | S | A | -0.5528 | |
| 1036 | Y | A | 0.2684 | |
| 1037 | E | A | -0.4893 | |
| 1038 | W | A | -0.4629 | |
| 1039 | Q | A | -1.0182 | |
| 1040 | T | A | -0.5049 | |
| 1041 | S | A | -0.5323 | |
| 1042 | T | A | -0.3015 | |
| 1043 | N | A | 0.0000 | |
| 1044 | P | A | 0.5756 | |
| 1045 | S | A | 1.2510 | |
| 1046 | V | A | 3.0955 | |
| 1047 | F | A | 2.7136 | |
| 1048 | W | A | 1.1971 | |
| 1049 | T | A | 0.0991 | |
| 1050 | E | A | -1.6149 | |
| 1051 | G | A | -1.0609 | |
| 1052 | S | A | -1.2605 | |
| 1053 | G | A | -1.9572 | |
| 1054 | R | A | -2.3870 | |
| 1055 | V | A | -0.9139 | |
| 1056 | I | A | 0.2305 | |
| 1057 | S | A | -0.0238 |
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, -0.1854 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 | -0.1854 | View | CSV | PDB |
| model_1 | -0.3541 | View | CSV | PDB |
| model_2 | -0.3805 | View | CSV | PDB |
| model_0 | -0.3964 | View | CSV | PDB |
| model_4 | -0.3979 | View | CSV | PDB |
| model_11 | -0.4164 | View | CSV | PDB |
| CABS_average | -0.4175 | View | CSV | PDB |
| model_6 | -0.4224 | View | CSV | PDB |
| model_3 | -0.4229 | View | CSV | PDB |
| model_5 | -0.428 | View | CSV | PDB |
| model_9 | -0.4327 | View | CSV | PDB |
| model_8 | -0.4428 | View | CSV | PDB |
| model_7 | -0.4442 | View | CSV | PDB |
| model_10 | -0.4717 | 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