| Chain sequence(s) |
A: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCCPPCPAPPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVCTLPPSRDELTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKDVVLSPSHGIELSVGEKLVLNCTARTELNVGIDFNWEYPSSKHQHKKLVNRDLKTQSGSEMKKFLSTLTIDGVTRSDQGLYTCAASSGLMTKKNSTFVRVHEK
C: APASSSTKKTQLQLEHLLLDLQMILNGINNYKNPKLTRMLTFKFYMPKKATELKHLQCLEEELKPLEEVLNLADKTHTDLISRINVIVLELKGSETTFMCEYADETATIVEFLNRWITFSQSIIRTLTCPPCPAPPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPCRDELTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKDVVLSPSHGIELSVGEKLVLNCTARTELNVGIDFNWEYPSSKHQHKKLVNRDLKTQSGSEMKKFLSTLTIDGVTRSDQGLYTCAASSGLMTKKNSTFVRVHEK B: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:30:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/76293be805d173f/tmp/folded.pdb (00:30:45)
[INFO] Main: Simulation completed successfully. (00:41:42)
|
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 | Q | A | -1.5401 | |
| 2 | V | A | -1.0466 | |
| 3 | Q | A | -1.4224 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | -0.1331 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.3119 | |
| 8 | G | A | 0.1924 | |
| 9 | V | A | 1.4308 | |
| 10 | E | A | 0.2802 | |
| 11 | V | A | 0.3369 | |
| 12 | K | A | -1.0366 | |
| 13 | K | A | -1.8967 | |
| 14 | P | A | -1.5300 | |
| 15 | G | A | -1.3797 | |
| 16 | A | A | -1.3250 | |
| 17 | S | A | -1.7185 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -2.0943 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.5935 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -1.2586 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -1.0021 | |
| 26 | G | A | -1.0815 | |
| 27 | Y | A | -0.4441 | |
| 28 | T | A | -0.1716 | |
| 29 | F | A | 0.0000 | |
| 30 | T | A | -0.3087 | |
| 31 | N | A | -0.2404 | |
| 32 | Y | A | 0.1977 | |
| 33 | Y | A | 0.2369 | |
| 34 | M | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.5833 | |
| 40 | A | A | -1.0048 | |
| 41 | P | A | -1.0208 | |
| 42 | G | A | -1.2138 | |
| 43 | Q | A | -1.7399 | |
| 44 | G | A | -1.0677 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.5830 | |
| 47 | W | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | N | A | 0.0000 | |
| 53 | P | A | -0.8942 | |
| 54 | S | A | -1.0627 | |
| 55 | N | A | -1.6936 | |
| 56 | G | A | -1.3439 | |
| 57 | G | A | -0.9769 | |
| 58 | T | A | -0.4907 | |
| 59 | N | A | -0.5716 | |
| 60 | F | A | -1.2254 | |
| 61 | N | A | -1.9718 | |
| 62 | E | A | -3.3945 | |
| 63 | K | A | -3.2896 | |
| 64 | F | A | 0.0000 | |
| 65 | K | A | -3.4846 | |
| 66 | N | A | -2.9746 | |
| 67 | R | A | -2.3761 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -1.0695 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.3343 | |
| 72 | T | A | -0.8162 | |
| 73 | D | A | -1.1634 | |
| 74 | S | A | -0.7968 | |
| 75 | S | A | -0.6004 | |
| 76 | T | A | -0.7252 | |
| 77 | T | A | -0.8264 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.4584 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.5183 | |
| 83 | L | A | 0.0000 | |
| 84 | K | A | -2.1997 | |
| 85 | S | A | -1.6393 | |
| 86 | L | A | 0.0000 | |
| 87 | Q | A | -1.3780 | |
| 88 | F | A | 0.1628 | |
| 89 | D | A | -1.2380 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.2286 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.3273 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | R | A | 0.0000 | |
| 100 | D | A | 0.4090 | |
| 101 | Y | A | 0.8504 | |
| 102 | R | A | -0.3747 | |
| 103 | F | A | 1.2417 | |
| 104 | D | A | 0.5006 | |
| 105 | M | A | 0.6740 | |
| 106 | G | A | 0.0000 | |
| 107 | F | A | 0.0000 | |
| 108 | D | A | -0.4055 | |
| 109 | Y | A | -0.2283 | |
| 110 | W | A | -0.4562 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -1.3749 | |
| 113 | G | A | -0.4719 | |
| 114 | T | A | 0.0000 | |
| 115 | T | A | 0.4277 | |
| 116 | V | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | S | A | 0.0000 | |
| 120 | S | A | -0.6498 | |
| 121 | A | A | -0.6047 | |
| 122 | S | A | -0.6749 | |
| 123 | T | A | -0.6002 | |
| 124 | K | A | -1.1715 | |
| 125 | G | A | -1.3808 | |
| 126 | P | A | 0.0000 | |
| 127 | S | A | -0.3582 | |
| 128 | V | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | P | A | -1.1445 | |
| 131 | L | A | 0.0000 | |
| 132 | A | A | -1.2787 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | -0.8541 | |
| 135 | S | A | -0.6025 | |
| 136 | K | A | -0.6947 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.5956 | |
| 139 | S | A | -0.6496 | |
| 140 | G | A | -0.7950 | |
| 141 | G | A | -0.8655 | |
| 142 | T | A | -0.6038 | |
| 143 | A | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | K | A | 0.0000 | |
| 151 | D | A | -0.3678 | |
| 152 | Y | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | E | A | -0.5623 | |
| 156 | P | A | -0.9869 | |
| 157 | V | A | -0.8552 | |
| 158 | T | A | -0.7340 | |
| 159 | V | A | -0.3254 | |
| 160 | S | A | -0.3236 | |
| 161 | W | A | 0.0000 | |
| 162 | N | A | -0.5532 | |
| 163 | S | A | -0.5279 | |
| 164 | G | A | -0.4621 | |
| 165 | A | A | -0.2130 | |
| 166 | L | A | 0.0464 | |
| 167 | T | A | -0.1461 | |
| 168 | S | A | -0.1593 | |
| 169 | G | A | -0.1672 | |
| 170 | V | A | 0.1977 | |
| 171 | H | A | -0.2910 | |
| 172 | T | A | 0.0204 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | -0.3734 | |
| 175 | A | A | 0.1091 | |
| 176 | V | A | 0.4167 | |
| 177 | L | A | 0.9694 | |
| 178 | Q | A | 0.2150 | |
| 179 | S | A | -0.0831 | |
| 180 | S | A | -0.2219 | |
| 181 | G | A | 0.0090 | |
| 182 | L | A | 0.0247 | |
| 183 | Y | A | 0.2699 | |
| 184 | S | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | T | A | -0.1212 | |
| 191 | V | A | 0.0000 | |
| 192 | P | A | -0.6054 | |
| 193 | S | A | -0.5669 | |
| 194 | S | A | -0.5752 | |
| 195 | S | A | -0.5526 | |
| 196 | L | A | -0.7696 | |
| 197 | G | A | -0.9381 | |
| 198 | T | A | -0.6674 | |
| 199 | Q | A | -1.1144 | |
| 200 | T | A | -0.9734 | |
| 201 | Y | A | 0.0000 | |
| 202 | I | A | -0.7901 | |
| 203 | C | A | 0.0000 | |
| 204 | N | A | -1.1845 | |
| 205 | V | A | 0.0000 | |
| 206 | N | A | -2.1595 | |
| 207 | H | A | 0.0000 | |
| 208 | K | A | -2.8496 | |
| 209 | P | A | -1.6932 | |
| 210 | S | A | -1.8436 | |
| 211 | N | A | -2.6287 | |
| 212 | T | A | -2.1441 | |
| 213 | K | A | -2.6276 | |
| 214 | V | A | -1.2270 | |
| 215 | D | A | -1.6174 | |
| 216 | K | A | -1.7121 | |
| 217 | K | A | -2.0399 | |
| 218 | V | A | 0.0000 | |
| 219 | E | A | -2.7028 | |
| 220 | P | A | -1.8065 | |
| 221 | K | A | -2.1456 | |
| 222 | S | A | -1.1691 | |
| 223 | C | A | -0.5939 | |
| 224 | C | A | -0.2910 | |
| 225 | P | A | -0.4446 | |
| 226 | P | A | -0.2257 | |
| 227 | C | A | 0.3517 | |
| 228 | P | A | -0.0134 | |
| 229 | A | A | -0.1311 | |
| 230 | P | A | -0.4581 | |
| 231 | P | A | 0.0000 | |
| 232 | S | A | 0.0167 | |
| 233 | V | A | 0.0000 | |
| 234 | F | A | 1.2705 | |
| 235 | L | A | 0.9737 | |
| 236 | F | A | 1.1822 | |
| 237 | P | A | -0.1416 | |
| 238 | P | A | 0.0000 | |
| 239 | K | A | -2.1358 | |
| 240 | P | A | -1.4616 | |
| 241 | K | A | -1.5280 | |
| 242 | D | A | -1.4374 | |
| 243 | T | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | M | A | 0.1484 | |
| 246 | I | A | 1.3433 | |
| 247 | S | A | -0.0393 | |
| 248 | R | A | -1.4227 | |
| 249 | T | A | -0.8664 | |
| 250 | P | A | 0.0000 | |
| 251 | E | A | -1.2664 | |
| 252 | V | A | 0.0000 | |
| 253 | T | A | 0.1993 | |
| 254 | C | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | V | A | -0.7690 | |
| 258 | D | A | -1.2740 | |
| 259 | V | A | 0.0000 | |
| 260 | S | A | -2.1864 | |
| 261 | H | A | -2.6087 | |
| 262 | E | A | -2.9777 | |
| 263 | D | A | -2.6294 | |
| 264 | P | A | -2.7423 | |
| 265 | E | A | -3.1368 | |
| 266 | V | A | -2.0177 | |
| 267 | K | A | -2.2572 | |
| 268 | F | A | -1.1546 | |
| 269 | N | A | -1.1402 | |
| 270 | W | A | 0.0000 | |
| 271 | Y | A | -0.5765 | |
| 272 | V | A | -0.8067 | |
| 273 | D | A | -2.0536 | |
| 274 | G | A | -0.8504 | |
| 275 | V | A | 0.6019 | |
| 276 | E | A | -0.6781 | |
| 277 | V | A | -0.5480 | |
| 278 | H | A | -1.8915 | |
| 279 | N | A | -2.1831 | |
| 280 | A | A | -1.9091 | |
| 281 | K | A | -2.3952 | |
| 282 | T | A | -1.8442 | |
| 283 | K | A | -2.1843 | |
| 284 | P | A | -2.2976 | |
| 285 | R | A | -3.4602 | |
| 286 | E | A | -3.8107 | |
| 287 | E | A | -3.3873 | |
| 288 | Q | A | -1.5982 | |
| 289 | Y | A | 0.3582 | |
| 290 | N | A | -0.7534 | |
| 291 | S | A | -1.0653 | |
| 292 | T | A | -1.9249 | |
| 293 | Y | A | 0.0000 | |
| 294 | R | A | -2.4032 | |
| 295 | V | A | 0.0000 | |
| 296 | V | A | -0.8569 | |
| 297 | S | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | T | A | -0.7840 | |
| 301 | V | A | 0.0000 | |
| 302 | L | A | 0.3798 | |
| 303 | H | A | -0.3285 | |
| 304 | Q | A | -1.2257 | |
| 305 | D | A | -1.3561 | |
| 306 | W | A | 0.0000 | |
| 307 | L | A | -1.0029 | |
| 308 | N | A | -2.0920 | |
| 309 | G | A | -2.0947 | |
| 310 | K | A | -2.1417 | |
| 311 | E | A | -1.9703 | |
| 312 | Y | A | 0.0000 | |
| 313 | K | A | -1.4845 | |
| 314 | C | A | 0.0000 | |
| 315 | K | A | -1.3994 | |
| 316 | V | A | 0.0000 | |
| 317 | S | A | -1.4710 | |
| 318 | N | A | 0.0000 | |
| 319 | K | A | -2.6427 | |
| 320 | A | A | -1.4668 | |
| 321 | L | A | 0.0000 | |
| 322 | P | A | -0.5693 | |
| 323 | A | A | -0.4463 | |
| 324 | P | A | -0.9200 | |
| 325 | I | A | -0.4687 | |
| 326 | E | A | -1.6003 | |
| 327 | K | A | -1.0542 | |
| 328 | T | A | -0.8766 | |
| 329 | I | A | -0.1588 | |
| 330 | S | A | -1.1026 | |
| 331 | K | A | -1.2462 | |
| 332 | A | A | -1.1532 | |
| 333 | K | A | -2.3494 | |
| 334 | G | A | -1.9620 | |
| 335 | Q | A | -2.0905 | |
| 336 | P | A | -1.6723 | |
| 337 | R | A | -1.9646 | |
| 338 | E | A | -2.5682 | |
| 339 | P | A | 0.0000 | |
| 340 | Q | A | -1.5486 | |
| 341 | V | A | -0.9946 | |
| 342 | C | A | 0.0000 | |
| 343 | T | A | -0.7411 | |
| 344 | L | A | 0.0000 | |
| 345 | P | A | -0.3174 | |
| 346 | P | A | -0.8261 | |
| 347 | S | A | -1.5284 | |
| 348 | R | A | -2.6816 | |
| 349 | D | A | -2.8334 | |
| 350 | E | A | 0.0000 | |
| 351 | L | A | -1.8140 | |
| 352 | T | A | -1.5985 | |
| 353 | K | A | -2.1397 | |
| 354 | N | A | -2.4131 | |
| 355 | Q | A | -2.1391 | |
| 356 | V | A | 0.0000 | |
| 357 | S | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | C | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | K | A | -0.6383 | |
| 364 | G | A | -1.0703 | |
| 365 | F | A | 0.0000 | |
| 366 | Y | A | -0.9715 | |
| 367 | P | A | 0.0000 | |
| 368 | S | A | -0.1218 | |
| 369 | D | A | -1.0548 | |
| 370 | I | A | 0.0000 | |
| 371 | A | A | -0.6505 | |
| 372 | V | A | 0.0000 | |
| 373 | E | A | -0.9986 | |
| 374 | W | A | 0.0000 | |
| 375 | E | A | -1.6337 | |
| 376 | S | A | 0.0000 | |
| 377 | N | A | -1.8193 | |
| 378 | G | A | -1.7220 | |
| 379 | Q | A | -2.2338 | |
| 380 | P | A | -1.7989 | |
| 381 | E | A | 0.0000 | |
| 382 | N | A | -1.8926 | |
| 383 | N | A | -1.2411 | |
| 384 | Y | A | -0.9287 | |
| 385 | K | A | -0.7914 | |
| 386 | T | A | -0.2707 | |
| 387 | T | A | 0.0000 | |
| 388 | P | A | -0.1284 | |
| 389 | P | A | 0.1692 | |
| 390 | V | A | 0.5856 | |
| 391 | L | A | 0.9246 | |
| 392 | D | A | -0.4149 | |
| 393 | S | A | -1.0794 | |
| 394 | D | A | -1.8538 | |
| 395 | G | A | -0.8077 | |
| 396 | S | A | 0.0000 | |
| 397 | F | A | 0.2171 | |
| 398 | F | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | V | A | 0.0000 | |
| 401 | S | A | 0.0000 | |
| 402 | K | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | T | A | -0.8185 | |
| 405 | V | A | 0.0000 | |
| 406 | D | A | -2.3671 | |
| 407 | K | A | -2.4496 | |
| 408 | S | A | -2.1224 | |
| 409 | R | A | -1.8611 | |
| 410 | W | A | 0.0000 | |
| 411 | Q | A | -2.0907 | |
| 412 | Q | A | -1.9835 | |
| 413 | G | A | -0.9940 | |
| 414 | N | A | -0.7575 | |
| 415 | V | A | 0.3500 | |
| 416 | F | A | 0.0000 | |
| 417 | S | A | -0.8698 | |
| 418 | C | A | 0.0000 | |
| 419 | S | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | M | A | 0.0000 | |
| 422 | H | A | 0.0000 | |
| 423 | E | A | -1.0755 | |
| 424 | A | A | -1.4331 | |
| 425 | L | A | -1.3964 | |
| 426 | H | A | -1.7387 | |
| 427 | N | A | -1.6659 | |
| 428 | H | A | -1.2010 | |
| 429 | Y | A | -0.3909 | |
| 430 | T | A | -0.7073 | |
| 431 | Q | A | -1.0752 | |
| 432 | K | A | -1.1018 | |
| 433 | S | A | -0.5514 | |
| 434 | L | A | 0.0000 | |
| 435 | S | A | -0.1482 | |
| 436 | L | A | -0.1181 | |
| 437 | S | A | -0.5311 | |
| 438 | P | A | -0.6714 | |
| 439 | G | A | -1.2289 | |
| 440 | K | A | -1.6958 | |
| 441 | D | A | -1.5637 | |
| 442 | V | A | 0.0000 | |
| 443 | V | A | -0.7152 | |
| 444 | L | A | 0.0000 | |
| 445 | S | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | S | A | -0.5197 | |
| 448 | H | A | -0.6784 | |
| 449 | G | A | -0.1685 | |
| 450 | I | A | 0.0000 | |
| 451 | E | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | S | A | 0.0000 | |
| 454 | V | A | -1.7713 | |
| 455 | G | A | -1.5317 | |
| 456 | E | A | -0.7277 | |
| 457 | K | A | -1.1530 | |
| 458 | L | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | N | A | 0.0000 | |
| 462 | C | A | 0.0000 | |
| 463 | T | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | R | A | -1.1840 | |
| 466 | T | A | 0.0000 | |
| 467 | E | A | -2.4060 | |
| 468 | L | A | -0.6270 | |
| 469 | N | A | -1.4293 | |
| 470 | V | A | -0.5468 | |
| 471 | G | A | -1.1445 | |
| 472 | I | A | -1.5157 | |
| 473 | D | A | -2.2404 | |
| 474 | F | A | -1.6925 | |
| 475 | N | A | -2.0870 | |
| 476 | W | A | 0.0000 | |
| 477 | E | A | -1.6378 | |
| 478 | Y | A | -0.1375 | |
| 479 | P | A | -0.3685 | |
| 480 | S | A | 0.0000 | |
| 481 | S | A | -1.4836 | |
| 482 | K | A | -2.4084 | |
| 483 | H | A | -2.1195 | |
| 484 | Q | A | -2.7018 | |
| 485 | H | A | -2.7205 | |
| 486 | K | A | -2.3369 | |
| 487 | K | A | -2.1742 | |
| 488 | L | A | -0.5735 | |
| 489 | V | A | -0.4577 | |
| 490 | N | A | -1.8715 | |
| 491 | R | A | -2.3465 | |
| 492 | D | A | -3.2795 | |
| 493 | L | A | 0.0000 | |
| 494 | K | A | -3.4844 | |
| 495 | T | A | -2.6950 | |
| 496 | Q | A | -2.2417 | |
| 497 | S | A | -1.6023 | |
| 498 | G | A | -1.3782 | |
| 499 | S | A | -2.1124 | |
| 500 | E | A | -2.8564 | |
| 501 | M | A | -2.5515 | |
| 502 | K | A | -3.0598 | |
| 503 | K | A | -2.2139 | |
| 504 | F | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | S | A | 0.0000 | |
| 507 | T | A | 0.0000 | |
| 508 | L | A | 0.0000 | |
| 509 | T | A | -1.0862 | |
| 510 | I | A | 0.0000 | |
| 511 | D | A | -2.3839 | |
| 512 | G | A | -1.3919 | |
| 513 | V | A | 0.0000 | |
| 514 | T | A | -1.7544 | |
| 515 | R | A | -2.6503 | |
| 516 | S | A | -1.5948 | |
| 517 | D | A | 0.0000 | |
| 518 | Q | A | -1.1626 | |
| 519 | G | A | 0.1315 | |
| 520 | L | A | 1.2755 | |
| 521 | Y | A | 0.0000 | |
| 522 | T | A | -0.7899 | |
| 523 | C | A | 0.0000 | |
| 524 | A | A | 0.0000 | |
| 525 | A | A | 0.0000 | |
| 526 | S | A | -0.9984 | |
| 527 | S | A | -0.1179 | |
| 528 | G | A | 0.0558 | |
| 529 | L | A | 1.5029 | |
| 530 | M | A | 0.7549 | |
| 531 | T | A | -0.7499 | |
| 532 | K | A | -1.7330 | |
| 533 | K | A | -2.5548 | |
| 534 | N | A | -1.4316 | |
| 535 | S | A | -0.4368 | |
| 536 | T | A | 0.0000 | |
| 537 | F | A | 0.6812 | |
| 538 | V | A | 0.0000 | |
| 539 | R | A | -0.9827 | |
| 540 | V | A | 0.0000 | |
| 541 | H | A | -2.5584 | |
| 542 | E | A | -3.5416 | |
| 543 | K | A | -3.4957 | |
| 1 | E | B | -1.7217 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.7657 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.2847 | |
| 6 | Q | B | -0.3423 | |
| 7 | S | B | -0.4390 | |
| 8 | P | B | -0.2415 | |
| 9 | A | B | -0.2138 | |
| 10 | T | B | -0.1379 | |
| 11 | L | B | -0.0108 | |
| 12 | S | B | -0.3814 | |
| 13 | L | B | -0.8087 | |
| 14 | S | B | -1.2236 | |
| 15 | P | B | -1.5694 | |
| 16 | G | B | -1.7070 | |
| 17 | E | B | -2.1352 | |
| 18 | R | B | -2.5649 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.6346 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.7499 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -1.6301 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.0913 | |
| 27 | K | B | -2.2538 | |
| 28 | G | B | -1.6574 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -0.5813 | |
| 31 | T | B | -0.3123 | |
| 32 | S | B | -0.2466 | |
| 33 | G | B | -0.2327 | |
| 34 | Y | B | 0.2527 | |
| 35 | S | B | -0.0956 | |
| 36 | Y | B | -0.3094 | |
| 37 | L | B | 0.0000 | |
| 38 | H | B | 0.0000 | |
| 39 | W | B | 0.0000 | |
| 40 | Y | B | 0.0000 | |
| 41 | Q | B | 0.0000 | |
| 42 | Q | B | 0.0000 | |
| 43 | K | B | -1.5791 | |
| 44 | P | B | -1.3618 | |
| 45 | G | B | -1.4347 | |
| 46 | Q | B | -2.1551 | |
| 47 | A | B | -1.4219 | |
| 48 | P | B | 0.0000 | |
| 49 | R | B | -1.5823 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | Y | B | 0.4752 | |
| 54 | L | B | 0.0000 | |
| 55 | A | B | 0.0000 | |
| 56 | S | B | 0.1791 | |
| 57 | Y | B | 0.7930 | |
| 58 | L | B | 0.5937 | |
| 59 | E | B | -0.2099 | |
| 60 | S | B | -0.4176 | |
| 61 | G | B | -0.5680 | |
| 62 | V | B | 0.0000 | |
| 63 | P | B | -0.2781 | |
| 64 | A | B | -0.1642 | |
| 65 | R | B | -0.7086 | |
| 66 | F | B | 0.0000 | |
| 67 | S | B | -0.1489 | |
| 68 | G | B | -0.1350 | |
| 69 | S | B | -0.7217 | |
| 70 | G | B | -1.2501 | |
| 71 | S | B | -1.0568 | |
| 72 | G | B | -1.2075 | |
| 73 | T | B | -1.8960 | |
| 74 | D | B | -2.5634 | |
| 75 | F | B | 0.0000 | |
| 76 | T | B | -0.8146 | |
| 77 | L | B | 0.0000 | |
| 78 | T | B | -0.6311 | |
| 79 | I | B | 0.0000 | |
| 80 | S | B | -1.3409 | |
| 81 | S | B | -1.7111 | |
| 82 | L | B | 0.0000 | |
| 83 | E | B | -2.3333 | |
| 84 | P | B | -1.6898 | |
| 85 | E | B | -2.3331 | |
| 86 | D | B | 0.0000 | |
| 87 | F | B | -0.6046 | |
| 88 | A | B | 0.0000 | |
| 89 | V | B | 0.0189 | |
| 90 | Y | B | 0.0000 | |
| 91 | Y | B | 0.0000 | |
| 92 | C | B | 0.0000 | |
| 93 | Q | B | 0.0000 | |
| 94 | H | B | 0.0000 | |
| 95 | S | B | 0.0000 | |
| 96 | R | B | -1.9539 | |
| 97 | D | B | -2.1342 | |
| 98 | L | B | -0.8418 | |
| 99 | P | B | -1.1689 | |
| 100 | L | B | 0.0000 | |
| 101 | T | B | -0.1992 | |
| 102 | F | B | 0.2421 | |
| 103 | G | B | 0.0000 | |
| 104 | G | B | -0.5901 | |
| 105 | G | B | -0.5122 | |
| 106 | T | B | 0.0000 | |
| 107 | K | B | -0.3946 | |
| 108 | V | B | 0.0000 | |
| 109 | E | B | 0.0000 | |
| 110 | I | B | -0.4784 | |
| 111 | K | B | -1.1102 | |
| 112 | R | B | -0.8689 | |
| 113 | T | B | -0.0966 | |
| 114 | V | B | 0.3412 | |
| 115 | A | B | -0.0004 | |
| 116 | A | B | -0.0830 | |
| 117 | P | B | 0.0000 | |
| 118 | S | B | -0.1579 | |
| 119 | V | B | 0.0000 | |
| 120 | F | B | 0.0000 | |
| 121 | I | B | 0.0000 | |
| 122 | F | B | 0.0000 | |
| 123 | P | B | -0.6191 | |
| 124 | P | B | 0.0000 | |
| 125 | S | B | -1.6388 | |
| 126 | D | B | -2.9195 | |
| 127 | E | B | -2.5619 | |
| 128 | Q | B | 0.0000 | |
| 129 | L | B | -2.1170 | |
| 130 | K | B | -2.7404 | |
| 131 | S | B | -1.6858 | |
| 132 | G | B | -1.2453 | |
| 133 | T | B | -0.9571 | |
| 134 | A | B | 0.0000 | |
| 135 | S | B | 0.0000 | |
| 136 | V | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | C | B | 0.0000 | |
| 139 | L | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | N | B | 0.0000 | |
| 142 | N | B | -0.7440 | |
| 143 | F | B | 0.0000 | |
| 144 | Y | B | 0.0000 | |
| 145 | P | B | -1.5488 | |
| 146 | R | B | -2.7210 | |
| 147 | E | B | -3.0777 | |
| 148 | A | B | -2.2738 | |
| 149 | K | B | -2.4695 | |
| 150 | V | B | -1.1524 | |
| 151 | Q | B | -0.7307 | |
| 152 | W | B | 0.0000 | |
| 153 | K | B | -0.5628 | |
| 154 | V | B | 0.0000 | |
| 155 | D | B | -1.8977 | |
| 156 | N | B | -1.5231 | |
| 157 | A | B | -0.2564 | |
| 158 | L | B | 0.6819 | |
| 159 | Q | B | -0.2974 | |
| 160 | S | B | -0.6517 | |
| 161 | G | B | -1.2507 | |
| 162 | N | B | -1.5433 | |
| 163 | S | B | -1.3943 | |
| 164 | Q | B | -1.3566 | |
| 165 | E | B | -1.5458 | |
| 166 | S | B | -0.8697 | |
| 167 | V | B | -0.8023 | |
| 168 | T | B | -1.1913 | |
| 169 | E | B | -2.2427 | |
| 170 | Q | B | -1.7672 | |
| 171 | D | B | -1.8375 | |
| 172 | S | B | -1.6602 | |
| 173 | K | B | -2.1785 | |
| 174 | D | B | -1.5603 | |
| 175 | S | B | -1.5562 | |
| 176 | T | B | 0.0000 | |
| 177 | Y | B | 0.0000 | |
| 178 | S | B | 0.0000 | |
| 179 | L | B | 0.0000 | |
| 180 | S | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | T | B | -0.6659 | |
| 183 | L | B | 0.0000 | |
| 184 | T | B | -0.6142 | |
| 185 | L | B | -0.6952 | |
| 186 | S | B | -0.9023 | |
| 187 | K | B | -1.9024 | |
| 188 | A | B | -1.6235 | |
| 189 | D | B | -2.1225 | |
| 190 | Y | B | 0.0000 | |
| 191 | E | B | -3.0719 | |
| 192 | K | B | -3.3560 | |
| 193 | H | B | -2.7792 | |
| 194 | K | B | -3.0816 | |
| 195 | V | B | -1.4685 | |
| 196 | Y | B | 0.0000 | |
| 197 | A | B | 0.0000 | |
| 198 | C | B | 0.0000 | |
| 199 | E | B | -0.6288 | |
| 200 | V | B | 0.0000 | |
| 201 | T | B | -1.2345 | |
| 202 | H | B | 0.0000 | |
| 203 | Q | B | -1.7328 | |
| 204 | G | B | -0.4215 | |
| 205 | L | B | -0.2183 | |
| 206 | S | B | -0.4392 | |
| 207 | S | B | -0.3950 | |
| 208 | P | B | -0.5744 | |
| 209 | V | B | 0.2035 | |
| 210 | T | B | -0.2424 | |
| 211 | K | B | -0.4458 | |
| 212 | S | B | -0.3852 | |
| 213 | F | B | 0.0000 | |
| 214 | N | B | -1.5108 | |
| 215 | R | B | -2.1889 | |
| 216 | G | B | -1.7059 | |
| 217 | E | B | -1.7151 | |
| 218 | C | B | -0.6085 | |
| 1 | A | C | -0.0788 | |
| 2 | P | C | -0.3833 | |
| 3 | A | C | -0.5948 | |
| 4 | S | C | -0.8696 | |
| 5 | S | C | -1.2130 | |
| 6 | S | C | -1.2598 | |
| 7 | T | C | -1.1775 | |
| 8 | K | C | -1.8900 | |
| 9 | K | C | -2.3160 | |
| 10 | T | C | -1.5871 | |
| 11 | Q | C | -1.1633 | |
| 12 | L | C | -0.9615 | |
| 13 | Q | C | -1.0637 | |
| 14 | L | C | 0.0000 | |
| 15 | E | C | -0.9403 | |
| 16 | H | C | -1.0204 | |
| 17 | L | C | 0.0000 | |
| 18 | L | C | 0.0000 | |
| 19 | L | C | 0.6767 | |
| 20 | D | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | Q | C | 0.0983 | |
| 23 | M | C | 0.4755 | |
| 24 | I | C | 0.0000 | |
| 25 | L | C | -0.8111 | |
| 26 | N | C | -1.6124 | |
| 27 | G | C | -1.1689 | |
| 28 | I | C | 0.0000 | |
| 29 | N | C | -2.2666 | |
| 30 | N | C | -2.5675 | |
| 31 | Y | C | -2.2574 | |
| 32 | K | C | -2.7066 | |
| 33 | N | C | -2.2840 | |
| 34 | P | C | -1.9813 | |
| 35 | K | C | -2.6120 | |
| 36 | L | C | -1.7432 | |
| 37 | T | C | -1.2624 | |
| 38 | R | C | -1.8938 | |
| 39 | M | C | 0.0000 | |
| 40 | L | C | -0.3873 | |
| 41 | T | C | -0.4609 | |
| 42 | F | C | -0.3284 | |
| 43 | K | C | -1.3541 | |
| 44 | F | C | 0.0000 | |
| 45 | Y | C | -0.2528 | |
| 46 | M | C | 0.0000 | |
| 47 | P | C | 0.0000 | |
| 48 | K | C | -2.7030 | |
| 49 | K | C | -2.0148 | |
| 50 | A | C | -1.4131 | |
| 51 | T | C | -1.2627 | |
| 52 | E | C | -1.4278 | |
| 53 | L | C | -1.1566 | |
| 54 | K | C | -1.1713 | |
| 55 | H | C | 0.0000 | |
| 56 | L | C | 0.0000 | |
| 57 | Q | C | -0.6832 | |
| 58 | C | C | 0.0000 | |
| 59 | L | C | 0.0000 | |
| 60 | E | C | -0.8939 | |
| 61 | E | C | -1.5474 | |
| 62 | E | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -2.7661 | |
| 65 | P | C | -1.8743 | |
| 66 | L | C | 0.0000 | |
| 67 | E | C | -2.5112 | |
| 68 | E | C | -2.7170 | |
| 69 | V | C | 0.0000 | |
| 70 | L | C | 0.0000 | |
| 71 | N | C | -1.7792 | |
| 72 | L | C | -1.2655 | |
| 73 | A | C | -1.6188 | |
| 74 | D | C | -1.9004 | |
| 75 | K | C | -2.7119 | |
| 76 | T | C | -1.6310 | |
| 77 | H | C | -1.9660 | |
| 78 | T | C | -2.1695 | |
| 79 | D | C | -2.6179 | |
| 80 | L | C | -1.4684 | |
| 81 | I | C | 0.0000 | |
| 82 | S | C | -1.5611 | |
| 83 | R | C | -1.8322 | |
| 84 | I | C | 0.0000 | |
| 85 | N | C | -0.6164 | |
| 86 | V | C | 0.8987 | |
| 87 | I | C | -0.0879 | |
| 88 | V | C | 0.0000 | |
| 89 | L | C | 0.4219 | |
| 90 | E | C | -1.0460 | |
| 91 | L | C | 0.0000 | |
| 92 | K | C | -1.3777 | |
| 93 | G | C | -1.4899 | |
| 94 | S | C | -1.4766 | |
| 95 | E | C | -2.0639 | |
| 96 | T | C | -0.9866 | |
| 97 | T | C | -0.3516 | |
| 98 | F | C | -0.0554 | |
| 99 | M | C | 0.6473 | |
| 100 | C | C | -0.5471 | |
| 101 | E | C | -1.5041 | |
| 102 | Y | C | -1.3026 | |
| 103 | A | C | -2.1496 | |
| 104 | D | C | -2.8234 | |
| 105 | E | C | -2.8241 | |
| 106 | T | C | -1.4763 | |
| 107 | A | C | -1.0019 | |
| 108 | T | C | -0.5678 | |
| 109 | I | C | 0.0000 | |
| 110 | V | C | -0.8082 | |
| 111 | E | C | -1.9323 | |
| 112 | F | C | 0.0000 | |
| 113 | L | C | 0.0000 | |
| 114 | N | C | -1.4495 | |
| 115 | R | C | -1.3610 | |
| 116 | W | C | 0.0000 | |
| 117 | I | C | -0.4894 | |
| 118 | T | C | -0.5096 | |
| 119 | F | C | 0.0000 | |
| 120 | S | C | 0.0000 | |
| 121 | Q | C | -0.6299 | |
| 122 | S | C | -0.4437 | |
| 123 | I | C | 0.0000 | |
| 124 | I | C | 0.0000 | |
| 125 | R | C | -0.4682 | |
| 126 | T | C | -0.2097 | |
| 127 | L | C | 0.0521 | |
| 128 | T | C | -0.1687 | |
| 129 | C | C | -0.0072 | |
| 130 | P | C | -0.2567 | |
| 131 | P | C | -0.1542 | |
| 132 | C | C | 0.2143 | |
| 133 | P | C | -0.1625 | |
| 134 | A | C | -0.1778 | |
| 135 | P | C | -0.4774 | |
| 136 | P | C | 0.0000 | |
| 137 | S | C | -0.0111 | |
| 138 | V | C | 0.0000 | |
| 139 | F | C | 1.3162 | |
| 140 | L | C | 0.9871 | |
| 141 | F | C | 1.2311 | |
| 142 | P | C | -0.0830 | |
| 143 | P | C | 0.0000 | |
| 144 | K | C | -2.1145 | |
| 145 | P | C | -1.3868 | |
| 146 | K | C | -1.1546 | |
| 147 | D | C | -1.1125 | |
| 148 | T | C | 0.0000 | |
| 149 | L | C | 0.0000 | |
| 150 | M | C | 0.3631 | |
| 151 | I | C | 1.4844 | |
| 152 | S | C | 0.1872 | |
| 153 | R | C | -1.0081 | |
| 154 | T | C | -0.5383 | |
| 155 | P | C | 0.0000 | |
| 156 | E | C | -0.6971 | |
| 157 | V | C | 0.0000 | |
| 158 | T | C | 0.3690 | |
| 159 | C | C | 0.0000 | |
| 160 | V | C | 0.0000 | |
| 161 | V | C | 0.0000 | |
| 162 | V | C | -0.9268 | |
| 163 | D | C | -1.2669 | |
| 164 | V | C | 0.0000 | |
| 165 | S | C | -2.1832 | |
| 166 | H | C | -2.5584 | |
| 167 | E | C | -2.9734 | |
| 168 | D | C | -2.6154 | |
| 169 | P | C | -2.7532 | |
| 170 | E | C | -3.1413 | |
| 171 | V | C | -2.0711 | |
| 172 | K | C | -2.2258 | |
| 173 | F | C | -1.0922 | |
| 174 | N | C | -1.2388 | |
| 175 | W | C | 0.0000 | |
| 176 | Y | C | -0.9662 | |
| 177 | V | C | -1.0556 | |
| 178 | D | C | -2.2291 | |
| 179 | G | C | -1.0794 | |
| 180 | V | C | 0.1948 | |
| 181 | E | C | -1.4735 | |
| 182 | V | C | -0.8957 | |
| 183 | H | C | -2.0255 | |
| 184 | N | C | -2.2194 | |
| 185 | A | C | -1.7907 | |
| 186 | K | C | -2.3313 | |
| 187 | T | C | -1.9781 | |
| 188 | K | C | -2.5950 | |
| 189 | P | C | -2.6111 | |
| 190 | R | C | -3.8821 | |
| 191 | E | C | -4.1017 | |
| 192 | E | C | -3.4640 | |
| 193 | Q | C | -1.6102 | |
| 194 | Y | C | 0.4674 | |
| 195 | N | C | -0.5451 | |
| 196 | S | C | -1.1697 | |
| 197 | T | C | -1.9003 | |
| 198 | Y | C | -2.7686 | |
| 199 | R | C | -2.8475 | |
| 200 | V | C | 0.0000 | |
| 201 | V | C | -1.0898 | |
| 202 | S | C | 0.0000 | |
| 203 | V | C | 0.0000 | |
| 204 | L | C | 0.0000 | |
| 205 | T | C | -0.4784 | |
| 206 | V | C | 0.0000 | |
| 207 | L | C | 0.5460 | |
| 208 | H | C | 0.0000 | |
| 209 | Q | C | -1.2207 | |
| 210 | D | C | -1.3624 | |
| 211 | W | C | 0.0000 | |
| 212 | L | C | -1.0162 | |
| 213 | N | C | -2.1322 | |
| 214 | G | C | -2.1701 | |
| 215 | K | C | -2.2246 | |
| 216 | E | C | -2.1168 | |
| 217 | Y | C | 0.0000 | |
| 218 | K | C | -1.6451 | |
| 219 | C | C | 0.0000 | |
| 220 | K | C | -1.3270 | |
| 221 | V | C | 0.0000 | |
| 222 | S | C | -1.4180 | |
| 223 | N | C | 0.0000 | |
| 224 | K | C | -2.7977 | |
| 225 | A | C | -1.4972 | |
| 226 | L | C | 0.0000 | |
| 227 | P | C | -1.2777 | |
| 228 | A | C | -1.2790 | |
| 229 | P | C | -1.1327 | |
| 230 | I | C | -0.4032 | |
| 231 | E | C | -1.5312 | |
| 232 | K | C | -1.0513 | |
| 233 | T | C | -0.9221 | |
| 234 | I | C | -0.2182 | |
| 235 | S | C | -1.1499 | |
| 236 | K | C | -1.2740 | |
| 237 | A | C | -1.1566 | |
| 238 | K | C | -2.3582 | |
| 239 | G | C | -1.9677 | |
| 240 | Q | C | -2.1034 | |
| 241 | P | C | -1.6936 | |
| 242 | R | C | -1.9480 | |
| 243 | E | C | -2.5533 | |
| 244 | P | C | 0.0000 | |
| 245 | Q | C | -1.3162 | |
| 246 | V | C | 0.0000 | |
| 247 | Y | C | 0.0000 | |
| 248 | T | C | -0.7878 | |
| 249 | L | C | 0.0000 | |
| 250 | P | C | -0.2406 | |
| 251 | P | C | 0.0000 | |
| 252 | C | C | 0.0000 | |
| 253 | R | C | -2.6328 | |
| 254 | D | C | -2.9028 | |
| 255 | E | C | 0.0000 | |
| 256 | L | C | -1.8816 | |
| 257 | T | C | -1.8301 | |
| 258 | K | C | -2.6747 | |
| 259 | N | C | -2.6410 | |
| 260 | Q | C | -2.2827 | |
| 261 | V | C | 0.0000 | |
| 262 | S | C | 0.0000 | |
| 263 | L | C | 0.0000 | |
| 264 | W | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | V | C | 0.0000 | |
| 268 | K | C | -0.4778 | |
| 269 | G | C | -0.9562 | |
| 270 | F | C | 0.0000 | |
| 271 | Y | C | -0.9448 | |
| 272 | P | C | 0.0000 | |
| 273 | S | C | -0.0900 | |
| 274 | D | C | -1.0138 | |
| 275 | I | C | 0.0000 | |
| 276 | A | C | -0.6367 | |
| 277 | V | C | 0.0000 | |
| 278 | E | C | -1.2745 | |
| 279 | W | C | 0.0000 | |
| 280 | E | C | -1.8333 | |
| 281 | S | C | 0.0000 | |
| 282 | N | C | -2.0219 | |
| 283 | G | C | -1.8222 | |
| 284 | Q | C | -2.2691 | |
| 285 | P | C | -1.9412 | |
| 286 | E | C | -1.8246 | |
| 287 | N | C | -2.0490 | |
| 288 | N | C | -1.3448 | |
| 289 | Y | C | -0.9700 | |
| 290 | K | C | -0.8287 | |
| 291 | T | C | -0.3070 | |
| 292 | T | C | 0.0000 | |
| 293 | P | C | -0.1176 | |
| 294 | P | C | 0.2176 | |
| 295 | V | C | 0.6682 | |
| 296 | L | C | 1.0521 | |
| 297 | D | C | -0.3406 | |
| 298 | S | C | -1.0516 | |
| 299 | D | C | -1.8305 | |
| 300 | G | C | -0.7709 | |
| 301 | S | C | 0.0000 | |
| 302 | F | C | 0.3066 | |
| 303 | F | C | 0.0000 | |
| 304 | L | C | 0.0000 | |
| 305 | Y | C | 0.0000 | |
| 306 | S | C | 0.0000 | |
| 307 | K | C | 0.0000 | |
| 308 | L | C | 0.0000 | |
| 309 | T | C | -0.7968 | |
| 310 | V | C | 0.0000 | |
| 311 | D | C | -2.2478 | |
| 312 | K | C | -2.4166 | |
| 313 | S | C | -2.0262 | |
| 314 | R | C | -1.8780 | |
| 315 | W | C | 0.0000 | |
| 316 | Q | C | -1.9472 | |
| 317 | Q | C | -2.0155 | |
| 318 | G | C | -1.2987 | |
| 319 | N | C | -1.1258 | |
| 320 | V | C | -0.7805 | |
| 321 | F | C | 0.0000 | |
| 322 | S | C | 0.0000 | |
| 323 | C | C | 0.0000 | |
| 324 | S | C | 0.0000 | |
| 325 | V | C | 0.0000 | |
| 326 | M | C | 0.0000 | |
| 327 | H | C | 0.0000 | |
| 328 | E | C | -1.0095 | |
| 329 | A | C | -1.4429 | |
| 330 | L | C | -1.3491 | |
| 331 | H | C | -1.7116 | |
| 332 | N | C | -1.6188 | |
| 333 | H | C | -0.8911 | |
| 334 | Y | C | -0.2497 | |
| 335 | T | C | -0.5997 | |
| 336 | Q | C | -0.9866 | |
| 337 | K | C | -1.1457 | |
| 338 | S | C | -0.9528 | |
| 339 | L | C | 0.0000 | |
| 340 | S | C | -0.4798 | |
| 341 | L | C | -0.2231 | |
| 342 | S | C | -0.8715 | |
| 343 | P | C | -0.9358 | |
| 344 | G | C | -1.9505 | |
| 345 | K | C | -2.8456 | |
| 346 | D | C | -3.3313 | |
| 347 | V | C | 0.0000 | |
| 348 | V | C | 0.0000 | |
| 349 | L | C | 0.0000 | |
| 350 | S | C | 0.0000 | |
| 351 | P | C | 0.0000 | |
| 352 | S | C | -0.4321 | |
| 353 | H | C | -0.5439 | |
| 354 | G | C | -0.1310 | |
| 355 | I | C | 0.0000 | |
| 356 | E | C | -0.7736 | |
| 357 | L | C | 0.0000 | |
| 358 | S | C | 0.0000 | |
| 359 | V | C | -1.7849 | |
| 360 | G | C | -1.3109 | |
| 361 | E | C | 0.0000 | |
| 362 | K | C | -0.9761 | |
| 363 | L | C | 0.0000 | |
| 364 | V | C | 0.0000 | |
| 365 | L | C | 0.0000 | |
| 366 | N | C | 0.0000 | |
| 367 | C | C | 0.0000 | |
| 368 | T | C | 0.0000 | |
| 369 | A | C | 0.0000 | |
| 370 | R | C | -1.8437 | |
| 371 | T | C | -2.1488 | |
| 372 | E | C | -2.6365 | |
| 373 | L | C | -1.0232 | |
| 374 | N | C | -1.5961 | |
| 375 | V | C | -0.6763 | |
| 376 | G | C | -1.2030 | |
| 377 | I | C | -1.5120 | |
| 378 | D | C | -2.3228 | |
| 379 | F | C | 0.0000 | |
| 380 | N | C | -2.0741 | |
| 381 | W | C | -1.3304 | |
| 382 | E | C | -1.8022 | |
| 383 | Y | C | -0.2140 | |
| 384 | P | C | -0.4318 | |
| 385 | S | C | 0.0000 | |
| 386 | S | C | -1.5154 | |
| 387 | K | C | -2.3962 | |
| 388 | H | C | -2.1051 | |
| 389 | Q | C | -2.5480 | |
| 390 | H | C | -2.4480 | |
| 391 | K | C | -1.8941 | |
| 392 | K | C | -1.3409 | |
| 393 | L | C | 0.4857 | |
| 394 | V | C | 0.9262 | |
| 395 | N | C | -1.2882 | |
| 396 | R | C | -2.6787 | |
| 397 | D | C | -3.6066 | |
| 398 | L | C | 0.0000 | |
| 399 | K | C | -3.6676 | |
| 400 | T | C | -2.9166 | |
| 401 | Q | C | -2.4583 | |
| 402 | S | C | -1.6175 | |
| 403 | G | C | -1.3983 | |
| 404 | S | C | -2.1308 | |
| 405 | E | C | -2.8873 | |
| 406 | M | C | -2.5050 | |
| 407 | K | C | -3.0138 | |
| 408 | K | C | -2.4543 | |
| 409 | F | C | 0.0000 | |
| 410 | L | C | 0.0000 | |
| 411 | S | C | 0.0000 | |
| 412 | T | C | 0.0000 | |
| 413 | L | C | 0.0000 | |
| 414 | T | C | -0.5730 | |
| 415 | I | C | 0.0000 | |
| 416 | D | C | -1.4049 | |
| 417 | G | C | -0.9896 | |
| 418 | V | C | 0.0000 | |
| 419 | T | C | -1.7135 | |
| 420 | R | C | -2.7515 | |
| 421 | S | C | -1.6632 | |
| 422 | D | C | 0.0000 | |
| 423 | Q | C | -1.3984 | |
| 424 | G | C | 0.0500 | |
| 425 | L | C | 1.2403 | |
| 426 | Y | C | 0.0000 | |
| 427 | T | C | 0.0000 | |
| 428 | C | C | 0.0000 | |
| 429 | A | C | 0.0000 | |
| 430 | A | C | 0.0000 | |
| 431 | S | C | -0.7852 | |
| 432 | S | C | 0.0209 | |
| 433 | G | C | 0.2657 | |
| 434 | L | C | 1.8415 | |
| 435 | M | C | 1.4185 | |
| 436 | T | C | -0.5819 | |
| 437 | K | C | -1.9032 | |
| 438 | K | C | -2.3042 | |
| 439 | N | C | -1.2391 | |
| 440 | S | C | -0.1529 | |
| 441 | T | C | 0.0000 | |
| 442 | F | C | 0.8532 | |
| 443 | V | C | 0.0000 | |
| 444 | R | C | -1.6312 | |
| 445 | V | C | 0.0000 | |
| 446 | H | C | -2.9000 | |
| 447 | E | C | -3.3616 | |
| 448 | K | C | -3.2311 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.7743 | 5.1517 | View | CSV | PDB |
| 4.5 | -0.8298 | 5.1517 | View | CSV | PDB |
| 5.0 | -0.8958 | 5.1517 | View | CSV | PDB |
| 5.5 | -0.9573 | 5.1517 | View | CSV | PDB |
| 6.0 | -0.9977 | 5.1517 | View | CSV | PDB |
| 6.5 | -1.0056 | 5.1517 | View | CSV | PDB |
| 7.0 | -0.9822 | 5.1517 | View | CSV | PDB |
| 7.5 | -0.9388 | 5.1517 | View | CSV | PDB |
| 8.0 | -0.8854 | 5.1517 | View | CSV | PDB |
| 8.5 | -0.8257 | 5.1517 | View | CSV | PDB |
| 9.0 | -0.7602 | 5.1517 | 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