| Chain sequence(s) |
A: EVQLLESGGGEVQPGGSLRLSCAASGLTFPNYGMGWFRQAPGKEREFVSAIYWSGGTVYYAESVKGRFTISRDNAKNTLYLQMSSLRAEDTAVYYCAVTIRGAATQTWKYDYWGQGTLVTVKPGGGGSEVQLLESGGGEVQPGGSLRLSCAASGLTFPNYGMGWFRQAPGKEREFVSAIYWSGGTVYYAESVKGRFTISRDNAKNTLYLQMSSLRAEDTAVYYCAVTIRGAATQTWKYDYWGQGTLVTVKPEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYQSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVCTLPPSRDELTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSDLRQGMFAQLVAQNVLLIDGPLSWYSDPGLAGVSLTGGLSYKEDTKELVVAKSGVYYVFFQLELRRVVAGEGSGSVSLALYLQPLRSASGAAALALTVDLPPASSEARNSAFGFQGRLLHLSAGQRLGVHLHTEARARHAWQLTQGATVLGLCRVTPEGGGGSDLRQGMFAQLVAQNVLLIDGPLSWYSDPGLAGVSLTGGLSYKEDTKELVVAKSGVYYVFFQLELRRVVAGEGSGSVSLALYLQPLRSASGAAALALTVDLPPASSEARNSAFGFQGRLLHLSAGQRLGVHLHTEARARHAWQLTQGATVLGLFRVTPE
B: EVQLLESGGGEVQPGGSLRLSCAASGLTFPNYGMGWFRQAPGKEREFVSAIYWSGGTVYYAESVKGRFTISRDNAKNTLYLQMSSLRAEDTAVYYCAVTIRGAATQTWKYDYWGQGTLVTVKPEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYQSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPCRDELTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSGGGGSDLRQGMFAQLVAQNVLLIDGPLSWYSDPGLAGVSLTGGLSYKEDTKELVVAKSGVYYVFFQLELRRVVAGEGSGSVSLALYLQPLRSASGAAALALTVDLPPASSEARNSAFGFQGRLLHLSAGQRLGVHLHTEARARHAWQLTQGATVLGLFRCTPE input PDB |
| Selected Chain(s) | A,B |
| 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) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[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 (00:15:11)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f784449f4ede700/tmp/folded.pdb (00:15:11)
[INFO] Main: Simulation completed successfully. (00:22:56)
|
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 | E | A | -2.0499 | |
| 2 | V | A | -1.2140 | |
| 3 | Q | A | -1.3559 | |
| 4 | L | A | 0.0000 | |
| 5 | L | A | 0.4428 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.3857 | |
| 8 | G | A | -0.8657 | |
| 9 | G | A | -0.6223 | |
| 10 | G | A | -1.0169 | |
| 11 | E | A | -2.2409 | |
| 12 | V | A | -1.9859 | |
| 13 | Q | A | -2.5298 | |
| 14 | P | A | -2.2976 | |
| 15 | G | A | -1.2964 | |
| 16 | G | A | -1.1645 | |
| 17 | S | A | -1.1210 | |
| 18 | L | A | -1.4328 | |
| 19 | R | A | -2.2169 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.5477 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -0.3143 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.9372 | |
| 26 | G | A | -1.2710 | |
| 27 | L | A | -0.6808 | |
| 28 | T | A | -0.5781 | |
| 29 | F | A | 0.0000 | |
| 30 | P | A | -1.0530 | |
| 31 | N | A | -1.0170 | |
| 32 | Y | A | -0.3143 | |
| 33 | G | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | F | A | 0.1760 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -1.3093 | |
| 40 | A | A | -1.3344 | |
| 41 | P | A | -1.1044 | |
| 42 | G | A | -1.4418 | |
| 43 | K | A | -2.8022 | |
| 44 | E | A | -3.1747 | |
| 45 | R | A | -2.4245 | |
| 46 | E | A | -1.2324 | |
| 47 | F | A | 0.0563 | |
| 48 | V | A | 0.0000 | |
| 49 | S | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | Y | A | 0.4938 | |
| 53 | W | A | 0.0458 | |
| 54 | S | A | -0.2760 | |
| 55 | G | A | -0.2765 | |
| 56 | G | A | -0.2897 | |
| 57 | T | A | 0.3826 | |
| 58 | V | A | 1.0756 | |
| 59 | Y | A | 0.9436 | |
| 60 | Y | A | -0.1993 | |
| 61 | A | A | -0.9640 | |
| 62 | E | A | -2.2751 | |
| 63 | S | A | -1.6057 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.4572 | |
| 66 | G | A | -1.6492 | |
| 67 | R | A | -1.1565 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.6836 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.3600 | |
| 72 | R | A | -0.8295 | |
| 73 | D | A | -1.4452 | |
| 74 | N | A | -1.7156 | |
| 75 | A | A | -1.3588 | |
| 76 | K | A | -2.2299 | |
| 77 | N | A | -1.6349 | |
| 78 | T | A | -0.9845 | |
| 79 | L | A | 0.0000 | |
| 80 | Y | A | -0.5978 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.4307 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.0493 | |
| 85 | S | A | -1.0485 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.5828 | |
| 88 | A | A | -2.1903 | |
| 89 | E | A | -2.4521 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -1.0654 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.6266 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.2273 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | 0.0000 | |
| 100 | I | A | -0.8019 | |
| 101 | R | A | -2.1686 | |
| 102 | G | A | -1.5966 | |
| 103 | A | A | -1.2602 | |
| 104 | A | A | -0.5995 | |
| 105 | T | A | -0.8503 | |
| 106 | Q | A | -1.4469 | |
| 107 | T | A | -1.0328 | |
| 108 | W | A | -1.3385 | |
| 109 | K | A | -2.1663 | |
| 110 | Y | A | -0.8874 | |
| 111 | D | A | -0.6646 | |
| 112 | Y | A | 0.1852 | |
| 113 | W | A | 0.3710 | |
| 114 | G | A | -0.1578 | |
| 115 | Q | A | -1.0297 | |
| 116 | G | A | 0.0000 | |
| 117 | T | A | 0.4982 | |
| 118 | L | A | 1.1226 | |
| 119 | V | A | 0.0000 | |
| 120 | T | A | -1.3925 | |
| 121 | V | A | 0.0000 | |
| 122 | K | A | -3.0524 | |
| 123 | P | A | -2.0162 | |
| 124 | G | A | -1.6202 | |
| 125 | G | A | -1.4022 | |
| 126 | G | A | -1.4060 | |
| 127 | G | A | -1.5566 | |
| 128 | S | A | -1.7034 | |
| 129 | E | A | -2.3959 | |
| 130 | V | A | -1.2189 | |
| 131 | Q | A | -1.3281 | |
| 132 | L | A | 0.0000 | |
| 133 | L | A | 0.7988 | |
| 134 | E | A | 0.1416 | |
| 135 | S | A | -0.3635 | |
| 136 | G | A | -0.8565 | |
| 137 | G | A | -0.6220 | |
| 138 | G | A | -0.9749 | |
| 139 | E | A | -2.2061 | |
| 140 | V | A | -1.9489 | |
| 141 | Q | A | -2.7497 | |
| 142 | P | A | -2.3789 | |
| 143 | G | A | -1.2460 | |
| 144 | G | A | -1.1398 | |
| 145 | S | A | -1.1017 | |
| 146 | L | A | -1.3099 | |
| 147 | R | A | -2.2069 | |
| 148 | L | A | 0.0000 | |
| 149 | S | A | -0.5121 | |
| 150 | C | A | 0.0000 | |
| 151 | A | A | -0.1908 | |
| 152 | A | A | 0.0000 | |
| 153 | S | A | -0.8395 | |
| 154 | G | A | -1.2651 | |
| 155 | L | A | -0.6365 | |
| 156 | T | A | -0.6181 | |
| 157 | F | A | 0.0000 | |
| 158 | P | A | -0.9456 | |
| 159 | N | A | -1.1382 | |
| 160 | Y | A | -0.4404 | |
| 161 | G | A | 0.0000 | |
| 162 | M | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | W | A | 0.0000 | |
| 165 | F | A | 0.2410 | |
| 166 | R | A | 0.0000 | |
| 167 | Q | A | -1.3475 | |
| 168 | A | A | -1.4500 | |
| 169 | P | A | -1.2834 | |
| 170 | G | A | -1.9412 | |
| 171 | K | A | -2.9683 | |
| 172 | E | A | -3.1710 | |
| 173 | R | A | -2.1741 | |
| 174 | E | A | -1.0695 | |
| 175 | F | A | 0.1856 | |
| 176 | V | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | Y | A | 0.4388 | |
| 181 | W | A | -0.1106 | |
| 182 | S | A | -0.3484 | |
| 183 | G | A | -0.3381 | |
| 184 | G | A | -0.3127 | |
| 185 | T | A | 0.3763 | |
| 186 | V | A | 1.1015 | |
| 187 | Y | A | 0.9334 | |
| 188 | Y | A | -0.2001 | |
| 189 | A | A | -0.9572 | |
| 190 | E | A | -2.2747 | |
| 191 | S | A | -1.6177 | |
| 192 | V | A | 0.0000 | |
| 193 | K | A | -2.4746 | |
| 194 | G | A | -1.6441 | |
| 195 | R | A | -1.1395 | |
| 196 | F | A | 0.0000 | |
| 197 | T | A | -0.6798 | |
| 198 | I | A | 0.0000 | |
| 199 | S | A | -0.3563 | |
| 200 | R | A | -0.8549 | |
| 201 | D | A | -1.4477 | |
| 202 | N | A | -1.7186 | |
| 203 | A | A | -1.3495 | |
| 204 | K | A | -2.2077 | |
| 205 | N | A | -1.6225 | |
| 206 | T | A | -0.9228 | |
| 207 | L | A | 0.0000 | |
| 208 | Y | A | -0.6106 | |
| 209 | L | A | 0.0000 | |
| 210 | Q | A | -1.4091 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -1.0299 | |
| 213 | S | A | -0.9904 | |
| 214 | L | A | 0.0000 | |
| 215 | R | A | -2.4872 | |
| 216 | A | A | -2.0782 | |
| 217 | E | A | -2.2517 | |
| 218 | D | A | 0.0000 | |
| 219 | T | A | -1.0082 | |
| 220 | A | A | 0.0000 | |
| 221 | V | A | 0.6091 | |
| 222 | Y | A | 0.0000 | |
| 223 | Y | A | 0.2048 | |
| 224 | C | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | T | A | 0.0000 | |
| 228 | I | A | -0.7408 | |
| 229 | R | A | -2.0707 | |
| 230 | G | A | -1.4995 | |
| 231 | A | A | -1.1430 | |
| 232 | A | A | -0.5776 | |
| 233 | T | A | -0.8219 | |
| 234 | Q | A | -1.3695 | |
| 235 | T | A | -1.0030 | |
| 236 | W | A | -1.2398 | |
| 237 | K | A | -2.0499 | |
| 238 | Y | A | 0.0000 | |
| 239 | D | A | -0.7914 | |
| 240 | Y | A | 0.1189 | |
| 241 | W | A | -0.0170 | |
| 242 | G | A | -0.2415 | |
| 243 | Q | A | -1.0433 | |
| 244 | G | A | -0.0149 | |
| 245 | T | A | 0.5068 | |
| 246 | L | A | 1.1670 | |
| 247 | V | A | 0.0000 | |
| 248 | T | A | -1.3155 | |
| 249 | V | A | 0.0000 | |
| 250 | K | A | -3.1300 | |
| 251 | P | A | -2.6727 | |
| 252 | E | A | -3.1549 | |
| 253 | P | A | -2.2446 | |
| 254 | K | A | -2.8263 | |
| 255 | S | A | -1.6896 | |
| 256 | C | A | -1.0691 | |
| 257 | D | A | -2.6587 | |
| 258 | K | A | -2.9108 | |
| 259 | T | A | -1.7421 | |
| 260 | H | A | -1.6723 | |
| 261 | T | A | -0.7462 | |
| 262 | C | A | -0.2880 | |
| 263 | P | A | -0.2965 | |
| 264 | P | A | -0.1979 | |
| 265 | C | A | 0.0321 | |
| 266 | P | A | -0.4121 | |
| 267 | A | A | -0.5059 | |
| 268 | P | A | -1.0857 | |
| 269 | E | A | -1.3366 | |
| 270 | L | A | 0.0010 | |
| 271 | L | A | 0.8299 | |
| 272 | G | A | -0.0086 | |
| 273 | G | A | 0.0000 | |
| 274 | P | A | 0.0000 | |
| 275 | S | A | 0.1601 | |
| 276 | V | A | 0.0000 | |
| 277 | F | A | 1.2369 | |
| 278 | L | A | 0.9217 | |
| 279 | F | A | 1.1734 | |
| 280 | P | A | -0.1153 | |
| 281 | P | A | 0.0000 | |
| 282 | K | A | -2.0448 | |
| 283 | P | A | -1.3294 | |
| 284 | K | A | -1.1621 | |
| 285 | D | A | -1.2978 | |
| 286 | T | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | M | A | 0.3050 | |
| 289 | I | A | 1.4684 | |
| 290 | S | A | 0.0501 | |
| 291 | R | A | -1.1456 | |
| 292 | T | A | -0.7163 | |
| 293 | P | A | 0.0000 | |
| 294 | E | A | -1.0317 | |
| 295 | V | A | 0.0000 | |
| 296 | T | A | 0.2206 | |
| 297 | C | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | V | A | -0.7330 | |
| 301 | D | A | -1.4352 | |
| 302 | V | A | 0.0000 | |
| 303 | S | A | -2.0824 | |
| 304 | H | A | -2.2317 | |
| 305 | E | A | -2.7850 | |
| 306 | D | A | -2.4853 | |
| 307 | P | A | -2.4942 | |
| 308 | E | A | -3.1207 | |
| 309 | V | A | -2.0665 | |
| 310 | K | A | -2.2207 | |
| 311 | F | A | -1.1454 | |
| 312 | N | A | -1.1080 | |
| 313 | W | A | 0.0000 | |
| 314 | Y | A | -0.6087 | |
| 315 | V | A | -0.9173 | |
| 316 | D | A | -2.1971 | |
| 317 | G | A | -0.8977 | |
| 318 | V | A | 0.6061 | |
| 319 | E | A | -0.5616 | |
| 320 | V | A | -0.5172 | |
| 321 | H | A | -1.8559 | |
| 322 | N | A | -2.1680 | |
| 323 | A | A | -1.8556 | |
| 324 | K | A | -2.3950 | |
| 325 | T | A | -1.8997 | |
| 326 | K | A | -2.2896 | |
| 327 | P | A | -2.5048 | |
| 328 | R | A | -3.9086 | |
| 329 | E | A | -3.8771 | |
| 330 | E | A | -3.5316 | |
| 331 | Q | A | -1.8656 | |
| 332 | Y | A | -0.0380 | |
| 333 | Q | A | -1.1823 | |
| 334 | S | A | -1.1547 | |
| 335 | T | A | -2.0402 | |
| 336 | Y | A | 0.0000 | |
| 337 | R | A | -2.5017 | |
| 338 | V | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | T | A | -0.6140 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.9605 | |
| 346 | H | A | 0.0000 | |
| 347 | Q | A | -0.8942 | |
| 348 | D | A | -1.2628 | |
| 349 | W | A | 0.0000 | |
| 350 | L | A | -1.0138 | |
| 351 | N | A | -2.1145 | |
| 352 | G | A | -2.0486 | |
| 353 | K | A | -2.1672 | |
| 354 | E | A | -2.3303 | |
| 355 | Y | A | 0.0000 | |
| 356 | K | A | -1.6424 | |
| 357 | C | A | 0.0000 | |
| 358 | K | A | -1.4766 | |
| 359 | V | A | 0.0000 | |
| 360 | S | A | -1.4508 | |
| 361 | N | A | 0.0000 | |
| 362 | K | A | -2.5534 | |
| 363 | A | A | -1.3234 | |
| 364 | L | A | -0.4548 | |
| 365 | P | A | -0.5813 | |
| 366 | A | A | -0.4249 | |
| 367 | P | A | -0.8839 | |
| 368 | I | A | -0.5748 | |
| 369 | E | A | -1.9489 | |
| 370 | K | A | -1.2191 | |
| 371 | T | A | -1.0551 | |
| 372 | I | A | -0.2778 | |
| 373 | S | A | -1.2170 | |
| 374 | K | A | -1.2959 | |
| 375 | A | A | -1.1619 | |
| 376 | K | A | -2.3239 | |
| 377 | G | A | -2.0146 | |
| 378 | Q | A | -2.0566 | |
| 379 | P | A | -1.9630 | |
| 380 | R | A | -2.5606 | |
| 381 | E | A | -2.8111 | |
| 382 | P | A | 0.0000 | |
| 383 | Q | A | -1.7776 | |
| 384 | V | A | 0.0000 | |
| 385 | C | A | 0.0000 | |
| 386 | T | A | -0.7177 | |
| 387 | L | A | 0.0000 | |
| 388 | P | A | -0.2409 | |
| 389 | P | A | -0.8049 | |
| 390 | S | A | 0.0000 | |
| 391 | R | A | -2.8668 | |
| 392 | D | A | -2.8435 | |
| 393 | E | A | 0.0000 | |
| 394 | L | A | -1.6142 | |
| 395 | T | A | -1.4272 | |
| 396 | K | A | -2.0744 | |
| 397 | N | A | -2.3055 | |
| 398 | Q | A | -2.0673 | |
| 399 | V | A | 0.0000 | |
| 400 | S | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | C | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | K | A | -0.7030 | |
| 407 | G | A | -1.2312 | |
| 408 | F | A | 0.0000 | |
| 409 | Y | A | -1.2087 | |
| 410 | P | A | 0.0000 | |
| 411 | S | A | -0.1901 | |
| 412 | D | A | -1.0169 | |
| 413 | I | A | -0.5574 | |
| 414 | A | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | E | A | -1.1331 | |
| 417 | W | A | 0.0000 | |
| 418 | E | A | -1.7713 | |
| 419 | S | A | 0.0000 | |
| 420 | N | A | -1.8185 | |
| 421 | G | A | -1.7462 | |
| 422 | Q | A | -2.3064 | |
| 423 | P | A | -1.9586 | |
| 424 | E | A | -1.8279 | |
| 425 | N | A | -2.0088 | |
| 426 | N | A | -1.3085 | |
| 427 | Y | A | -0.8980 | |
| 428 | K | A | -0.6848 | |
| 429 | T | A | -0.3825 | |
| 430 | T | A | 0.0000 | |
| 431 | P | A | -0.0220 | |
| 432 | P | A | 0.2312 | |
| 433 | V | A | 0.6794 | |
| 434 | L | A | 1.0445 | |
| 435 | D | A | -0.3829 | |
| 436 | S | A | -1.0810 | |
| 437 | D | A | -1.8725 | |
| 438 | G | A | -0.8408 | |
| 439 | S | A | 0.0000 | |
| 440 | F | A | 0.1746 | |
| 441 | F | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | V | A | 0.0000 | |
| 444 | S | A | 0.0000 | |
| 445 | K | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | T | A | -0.8343 | |
| 448 | V | A | 0.0000 | |
| 449 | D | A | -2.4249 | |
| 450 | K | A | -2.4292 | |
| 451 | S | A | -2.1514 | |
| 452 | R | A | -1.8734 | |
| 453 | W | A | 0.0000 | |
| 454 | Q | A | -2.2210 | |
| 455 | Q | A | -1.9943 | |
| 456 | G | A | -1.1761 | |
| 457 | N | A | -0.6116 | |
| 458 | V | A | 0.3256 | |
| 459 | F | A | 0.0000 | |
| 460 | S | A | -0.7631 | |
| 461 | C | A | 0.0000 | |
| 462 | S | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | M | A | 0.0000 | |
| 465 | H | A | 0.0000 | |
| 466 | E | A | -1.1215 | |
| 467 | A | A | -1.6221 | |
| 468 | L | A | -1.5022 | |
| 469 | H | A | -1.7398 | |
| 470 | N | A | -1.6581 | |
| 471 | H | A | -1.1521 | |
| 472 | Y | A | -0.2947 | |
| 473 | T | A | -0.6747 | |
| 474 | Q | A | -1.0388 | |
| 475 | K | A | -1.1067 | |
| 476 | S | A | -0.6219 | |
| 477 | L | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | L | A | -0.7262 | |
| 480 | S | A | -1.4060 | |
| 481 | D | A | -2.1231 | |
| 482 | L | A | -1.4008 | |
| 483 | R | A | -2.3087 | |
| 484 | Q | A | -2.5913 | |
| 485 | G | A | -1.6200 | |
| 486 | M | A | 0.0000 | |
| 487 | F | A | 0.0000 | |
| 488 | A | A | 0.0000 | |
| 489 | Q | A | 0.0000 | |
| 490 | L | A | 0.0000 | |
| 491 | V | A | 0.0000 | |
| 492 | A | A | 0.0000 | |
| 493 | Q | A | -0.7092 | |
| 494 | N | A | -0.1059 | |
| 495 | V | A | 0.2218 | |
| 496 | L | A | 0.8454 | |
| 497 | L | A | 0.0000 | |
| 498 | I | A | 1.2477 | |
| 499 | D | A | -0.8774 | |
| 500 | G | A | -0.5265 | |
| 501 | P | A | -0.5179 | |
| 502 | L | A | 0.0000 | |
| 503 | S | A | -1.0725 | |
| 504 | W | A | 0.0000 | |
| 505 | Y | A | -0.2753 | |
| 506 | S | A | -0.9736 | |
| 507 | D | A | -1.5951 | |
| 508 | P | A | -0.9409 | |
| 509 | G | A | -0.7169 | |
| 510 | L | A | 0.0750 | |
| 511 | A | A | 0.0397 | |
| 512 | G | A | -0.3015 | |
| 513 | V | A | 0.0000 | |
| 514 | S | A | -0.3359 | |
| 515 | L | A | -0.2130 | |
| 516 | T | A | -0.4065 | |
| 517 | G | A | -1.5322 | |
| 518 | G | A | -0.9386 | |
| 519 | L | A | 0.0000 | |
| 520 | S | A | -0.5628 | |
| 521 | Y | A | -1.3450 | |
| 522 | K | A | -2.5952 | |
| 523 | E | A | -3.2479 | |
| 524 | D | A | -3.1209 | |
| 525 | T | A | -2.0287 | |
| 526 | K | A | -2.0794 | |
| 527 | E | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | -0.5594 | |
| 530 | V | A | 0.0000 | |
| 531 | A | A | -1.1497 | |
| 532 | K | A | -1.9729 | |
| 533 | S | A | -1.0922 | |
| 534 | G | A | -0.5358 | |
| 535 | V | A | 0.0000 | |
| 536 | Y | A | 0.0000 | |
| 537 | Y | A | 0.0000 | |
| 538 | V | A | 0.0000 | |
| 539 | F | A | 0.0000 | |
| 540 | F | A | 0.0000 | |
| 541 | Q | A | 0.0000 | |
| 542 | L | A | 0.0000 | |
| 543 | E | A | -0.7207 | |
| 544 | L | A | 0.0000 | |
| 545 | R | A | -2.0231 | |
| 546 | R | A | 0.0000 | |
| 547 | V | A | -0.0554 | |
| 548 | V | A | -0.2137 | |
| 549 | A | A | -0.4673 | |
| 550 | G | A | -1.4444 | |
| 551 | E | A | -2.1190 | |
| 552 | G | A | 0.0000 | |
| 553 | S | A | -1.7674 | |
| 554 | G | A | -1.4141 | |
| 555 | S | A | -1.3114 | |
| 556 | V | A | 0.0000 | |
| 557 | S | A | -0.8765 | |
| 558 | L | A | 0.0000 | |
| 559 | A | A | -0.2258 | |
| 560 | L | A | 0.0000 | |
| 561 | Y | A | -0.1199 | |
| 562 | L | A | -0.1580 | |
| 563 | Q | A | -0.5664 | |
| 564 | P | A | -0.3897 | |
| 565 | L | A | 0.3323 | |
| 566 | R | A | -1.2942 | |
| 567 | S | A | -0.6653 | |
| 568 | A | A | -0.4469 | |
| 569 | S | A | -0.6156 | |
| 570 | G | A | -0.5285 | |
| 571 | A | A | -0.3351 | |
| 572 | A | A | -0.1842 | |
| 573 | A | A | -0.1103 | |
| 574 | L | A | 0.0000 | |
| 575 | A | A | -0.0008 | |
| 576 | L | A | 0.0000 | |
| 577 | T | A | -0.1159 | |
| 578 | V | A | 0.0000 | |
| 579 | D | A | -0.6439 | |
| 580 | L | A | 0.0000 | |
| 581 | P | A | 0.0000 | |
| 582 | P | A | -1.5474 | |
| 583 | A | A | -1.6180 | |
| 584 | S | A | -1.5726 | |
| 585 | S | A | -1.6916 | |
| 586 | E | A | -2.3886 | |
| 587 | A | A | -1.7974 | |
| 588 | R | A | -2.1516 | |
| 589 | N | A | -2.2810 | |
| 590 | S | A | -1.5108 | |
| 591 | A | A | 0.0000 | |
| 592 | F | A | 0.1815 | |
| 593 | G | A | 0.0000 | |
| 594 | F | A | 0.0000 | |
| 595 | Q | A | 0.0000 | |
| 596 | G | A | 0.0000 | |
| 597 | R | A | -0.2956 | |
| 598 | L | A | 0.0000 | |
| 599 | L | A | -0.3290 | |
| 600 | H | A | -0.7566 | |
| 601 | L | A | 0.0000 | |
| 602 | S | A | -0.8273 | |
| 603 | A | A | -0.9709 | |
| 604 | G | A | -0.8891 | |
| 605 | Q | A | 0.0000 | |
| 606 | R | A | -0.6324 | |
| 607 | L | A | 0.0000 | |
| 608 | G | A | 0.0000 | |
| 609 | V | A | 0.0000 | |
| 610 | H | A | -0.6586 | |
| 611 | L | A | 0.0000 | |
| 612 | H | A | -1.6536 | |
| 613 | T | A | 0.0000 | |
| 614 | E | A | -3.0139 | |
| 615 | A | A | -2.4399 | |
| 616 | R | A | -3.1771 | |
| 617 | A | A | 0.0000 | |
| 618 | R | A | -2.2124 | |
| 619 | H | A | -1.7856 | |
| 620 | A | A | 0.0000 | |
| 621 | W | A | 0.0000 | |
| 622 | Q | A | -0.5192 | |
| 623 | L | A | 0.0000 | |
| 624 | T | A | -1.0938 | |
| 625 | Q | A | -1.5890 | |
| 626 | G | A | -0.8731 | |
| 627 | A | A | -0.5559 | |
| 628 | T | A | 0.0000 | |
| 629 | V | A | 0.0000 | |
| 630 | L | A | 0.0000 | |
| 631 | G | A | 0.0000 | |
| 632 | L | A | 0.0000 | |
| 633 | C | A | -0.1064 | |
| 634 | R | A | -0.8453 | |
| 635 | V | A | -0.5462 | |
| 636 | T | A | -1.0202 | |
| 637 | P | A | -2.0838 | |
| 638 | E | A | -2.8651 | |
| 639 | G | A | -2.2409 | |
| 640 | G | A | -1.9410 | |
| 641 | G | A | -1.7037 | |
| 642 | G | A | -1.2058 | |
| 643 | S | A | -1.1135 | |
| 644 | D | A | -1.7389 | |
| 645 | L | A | -0.7121 | |
| 646 | R | A | -2.4255 | |
| 647 | Q | A | -2.7839 | |
| 648 | G | A | 0.0000 | |
| 649 | M | A | 0.0000 | |
| 650 | F | A | 0.0000 | |
| 651 | A | A | 0.0000 | |
| 652 | Q | A | 0.0000 | |
| 653 | L | A | 0.0000 | |
| 654 | V | A | 0.0000 | |
| 655 | A | A | 0.0000 | |
| 656 | Q | A | -0.6356 | |
| 657 | N | A | -0.0022 | |
| 658 | V | A | 0.5480 | |
| 659 | L | A | 1.3061 | |
| 660 | L | A | 0.0000 | |
| 661 | I | A | 1.2535 | |
| 662 | D | A | -0.8356 | |
| 663 | G | A | -0.5282 | |
| 664 | P | A | -0.5202 | |
| 665 | L | A | 0.0000 | |
| 666 | S | A | -1.1243 | |
| 667 | W | A | 0.0000 | |
| 668 | Y | A | -0.3710 | |
| 669 | S | A | -1.0662 | |
| 670 | D | A | -1.6755 | |
| 671 | P | A | -1.0274 | |
| 672 | G | A | -0.8284 | |
| 673 | L | A | -0.1471 | |
| 674 | A | A | -0.1133 | |
| 675 | G | A | -0.3831 | |
| 676 | V | A | 0.0000 | |
| 677 | S | A | -0.3267 | |
| 678 | L | A | -0.4564 | |
| 679 | T | A | -0.7660 | |
| 680 | G | A | -1.7596 | |
| 681 | G | A | -1.1434 | |
| 682 | L | A | 0.0000 | |
| 683 | S | A | -0.6770 | |
| 684 | Y | A | -1.5574 | |
| 685 | K | A | -2.9160 | |
| 686 | E | A | -3.3986 | |
| 687 | D | A | -3.2152 | |
| 688 | T | A | -2.2015 | |
| 689 | K | A | -2.2485 | |
| 690 | E | A | -1.6884 | |
| 691 | L | A | 0.0000 | |
| 692 | V | A | -0.7266 | |
| 693 | V | A | 0.0000 | |
| 694 | A | A | -1.0606 | |
| 695 | K | A | -1.8494 | |
| 696 | S | A | -1.2457 | |
| 697 | G | A | -0.9032 | |
| 698 | V | A | 0.0000 | |
| 699 | Y | A | 0.0000 | |
| 700 | Y | A | 0.0000 | |
| 701 | V | A | 0.0000 | |
| 702 | F | A | 0.0000 | |
| 703 | F | A | 0.0000 | |
| 704 | Q | A | 0.0000 | |
| 705 | L | A | 0.0000 | |
| 706 | E | A | -0.3941 | |
| 707 | L | A | 0.0000 | |
| 708 | R | A | -0.7015 | |
| 709 | R | A | 0.0000 | |
| 710 | V | A | 1.2156 | |
| 711 | V | A | 0.6135 | |
| 712 | A | A | 0.0544 | |
| 713 | G | A | -0.9474 | |
| 714 | E | A | -1.1429 | |
| 715 | G | A | 0.0000 | |
| 716 | S | A | -1.5606 | |
| 717 | G | A | -1.4096 | |
| 718 | S | A | -1.2998 | |
| 719 | V | A | 0.0000 | |
| 720 | S | A | -0.8574 | |
| 721 | L | A | 0.0000 | |
| 722 | A | A | -0.1815 | |
| 723 | L | A | 0.0000 | |
| 724 | Y | A | 0.1658 | |
| 725 | L | A | -0.4010 | |
| 726 | Q | A | -1.0182 | |
| 727 | P | A | -0.8549 | |
| 728 | L | A | -0.5064 | |
| 729 | R | A | -1.7277 | |
| 730 | S | A | -1.0158 | |
| 731 | A | A | -0.5110 | |
| 732 | S | A | -0.5694 | |
| 733 | G | A | -0.5400 | |
| 734 | A | A | -0.2233 | |
| 735 | A | A | 0.1308 | |
| 736 | A | A | 0.0798 | |
| 737 | L | A | 0.0000 | |
| 738 | A | A | 0.0142 | |
| 739 | L | A | 0.0000 | |
| 740 | T | A | -0.1372 | |
| 741 | V | A | 0.0000 | |
| 742 | D | A | -0.6884 | |
| 743 | L | A | 0.0000 | |
| 744 | P | A | 0.0000 | |
| 745 | P | A | -1.3094 | |
| 746 | A | A | -1.2079 | |
| 747 | S | A | -1.2391 | |
| 748 | S | A | -1.5675 | |
| 749 | E | A | -2.3330 | |
| 750 | A | A | -1.6488 | |
| 751 | R | A | -1.7264 | |
| 752 | N | A | -1.5794 | |
| 753 | S | A | -0.8063 | |
| 754 | A | A | -0.3653 | |
| 755 | F | A | 0.3762 | |
| 756 | G | A | 0.0000 | |
| 757 | F | A | 0.0000 | |
| 758 | Q | A | 0.0000 | |
| 759 | G | A | 0.0000 | |
| 760 | R | A | -0.3169 | |
| 761 | L | A | 0.0000 | |
| 762 | L | A | -0.4811 | |
| 763 | H | A | -1.0704 | |
| 764 | L | A | 0.0000 | |
| 765 | S | A | -0.8074 | |
| 766 | A | A | -0.8677 | |
| 767 | G | A | -0.7752 | |
| 768 | Q | A | 0.0000 | |
| 769 | R | A | -1.1633 | |
| 770 | L | A | 0.0000 | |
| 771 | G | A | 0.0000 | |
| 772 | V | A | 0.0000 | |
| 773 | H | A | -0.6106 | |
| 774 | L | A | 0.0000 | |
| 775 | H | A | -1.6251 | |
| 776 | T | A | 0.0000 | |
| 777 | E | A | -2.8931 | |
| 778 | A | A | -2.2836 | |
| 779 | R | A | -3.0286 | |
| 780 | A | A | 0.0000 | |
| 781 | R | A | -2.1822 | |
| 782 | H | A | -1.2596 | |
| 783 | A | A | 0.0000 | |
| 784 | W | A | 0.0000 | |
| 785 | Q | A | 0.2035 | |
| 786 | L | A | 0.0000 | |
| 787 | T | A | -0.7502 | |
| 788 | Q | A | -1.4631 | |
| 789 | G | A | -1.0707 | |
| 790 | A | A | -0.5857 | |
| 791 | T | A | 0.0000 | |
| 792 | V | A | 0.0000 | |
| 793 | L | A | 0.0000 | |
| 794 | G | A | 0.0000 | |
| 795 | L | A | 0.0000 | |
| 796 | F | A | 0.0000 | |
| 797 | R | A | -0.9073 | |
| 798 | V | A | 0.0000 | |
| 799 | T | A | -0.9589 | |
| 800 | P | A | -1.4725 | |
| 801 | E | A | -1.5162 | |
| 1 | E | B | -1.9371 | |
| 2 | V | B | -1.0004 | |
| 3 | Q | B | -0.9366 | |
| 4 | L | B | 0.0000 | |
| 5 | L | B | 0.6363 | |
| 6 | E | B | 0.1542 | |
| 7 | S | B | -0.4411 | |
| 8 | G | B | -0.9035 | |
| 9 | G | B | -0.6420 | |
| 10 | G | B | -1.0091 | |
| 11 | E | B | -2.2183 | |
| 12 | V | B | -1.9815 | |
| 13 | Q | B | -2.6976 | |
| 14 | P | B | -2.4704 | |
| 15 | G | B | -1.2806 | |
| 16 | G | B | -1.1619 | |
| 17 | S | B | -1.0956 | |
| 18 | L | B | -1.2996 | |
| 19 | R | B | -2.2019 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.5404 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.2384 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.7575 | |
| 26 | G | B | -1.1378 | |
| 27 | L | B | -0.6197 | |
| 28 | T | B | -0.5629 | |
| 29 | F | B | 0.0000 | |
| 30 | P | B | -0.8356 | |
| 31 | N | B | -1.0360 | |
| 32 | Y | B | -0.3844 | |
| 33 | G | B | 0.0000 | |
| 34 | M | B | 0.0000 | |
| 35 | G | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | F | B | 0.0009 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -1.7319 | |
| 40 | A | B | -1.6922 | |
| 41 | P | B | -1.2684 | |
| 42 | G | B | -1.9763 | |
| 43 | K | B | -3.3881 | |
| 44 | E | B | -3.6117 | |
| 45 | R | B | -2.7948 | |
| 46 | E | B | -1.7788 | |
| 47 | F | B | -0.1527 | |
| 48 | V | B | 0.0000 | |
| 49 | S | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | Y | B | 0.5244 | |
| 53 | W | B | 0.0825 | |
| 54 | S | B | -0.2542 | |
| 55 | G | B | -0.2582 | |
| 56 | G | B | -0.2903 | |
| 57 | T | B | 0.4486 | |
| 58 | V | B | 1.2095 | |
| 59 | Y | B | 1.1045 | |
| 60 | Y | B | -0.1193 | |
| 61 | A | B | -0.9932 | |
| 62 | E | B | -2.2731 | |
| 63 | S | B | -1.6731 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.4369 | |
| 66 | G | B | -1.6389 | |
| 67 | R | B | -1.4475 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.6533 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.3196 | |
| 72 | R | B | -0.8475 | |
| 73 | D | B | -1.4076 | |
| 74 | N | B | -1.6140 | |
| 75 | A | B | -1.3164 | |
| 76 | K | B | -2.1995 | |
| 77 | N | B | -1.6246 | |
| 78 | T | B | -0.9535 | |
| 79 | L | B | 0.0000 | |
| 80 | Y | B | -0.5987 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.3822 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.0207 | |
| 85 | S | B | -1.0114 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.6139 | |
| 88 | A | B | -2.2287 | |
| 89 | E | B | -2.4646 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -1.0680 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.5779 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.1115 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | V | B | 0.0000 | |
| 99 | T | B | 0.0000 | |
| 100 | I | B | -1.0027 | |
| 101 | R | B | -2.2611 | |
| 102 | G | B | -1.6330 | |
| 103 | A | B | -1.2493 | |
| 104 | A | B | -0.5798 | |
| 105 | T | B | -0.8513 | |
| 106 | Q | B | -1.4443 | |
| 107 | T | B | -1.0475 | |
| 108 | W | B | -1.3646 | |
| 109 | K | B | -2.1951 | |
| 110 | Y | B | -0.9253 | |
| 111 | D | B | -0.6577 | |
| 112 | Y | B | 0.2561 | |
| 113 | W | B | 0.4429 | |
| 114 | G | B | -0.0825 | |
| 115 | Q | B | -0.9718 | |
| 116 | G | B | -0.0240 | |
| 117 | T | B | 0.4570 | |
| 118 | L | B | 1.1202 | |
| 119 | V | B | 0.0000 | |
| 120 | T | B | -1.3837 | |
| 121 | V | B | 0.0000 | |
| 122 | K | B | -3.3434 | |
| 123 | P | B | -2.7235 | |
| 124 | E | B | -3.0824 | |
| 125 | P | B | -2.2798 | |
| 126 | K | B | -2.5042 | |
| 127 | S | B | -1.5825 | |
| 128 | C | B | -1.0424 | |
| 129 | D | B | -2.6581 | |
| 130 | K | B | -2.7060 | |
| 131 | T | B | -1.8090 | |
| 132 | H | B | -1.8902 | |
| 133 | T | B | -0.8487 | |
| 134 | C | B | -0.3476 | |
| 135 | P | B | -0.3060 | |
| 136 | P | B | -0.1354 | |
| 137 | C | B | 0.1344 | |
| 138 | P | B | -0.3815 | |
| 139 | A | B | -0.4246 | |
| 140 | P | B | -0.8060 | |
| 141 | E | B | -1.0782 | |
| 142 | L | B | 0.6026 | |
| 143 | L | B | 1.1497 | |
| 144 | G | B | 0.2055 | |
| 145 | G | B | -0.0982 | |
| 146 | P | B | 0.0000 | |
| 147 | S | B | 0.1960 | |
| 148 | V | B | 0.0000 | |
| 149 | F | B | 1.3851 | |
| 150 | L | B | 1.0160 | |
| 151 | F | B | 1.2033 | |
| 152 | P | B | -0.1463 | |
| 153 | P | B | 0.0000 | |
| 154 | K | B | -2.0900 | |
| 155 | P | B | -1.3825 | |
| 156 | K | B | -1.2535 | |
| 157 | D | B | 0.0000 | |
| 158 | T | B | 0.0000 | |
| 159 | L | B | 0.0000 | |
| 160 | M | B | 0.3355 | |
| 161 | I | B | 1.5525 | |
| 162 | S | B | 0.0820 | |
| 163 | R | B | -1.1480 | |
| 164 | T | B | -0.7658 | |
| 165 | P | B | 0.0000 | |
| 166 | E | B | -1.2094 | |
| 167 | V | B | 0.0000 | |
| 168 | T | B | 0.2058 | |
| 169 | C | B | 0.0000 | |
| 170 | V | B | 0.0000 | |
| 171 | V | B | 0.0000 | |
| 172 | V | B | -0.7049 | |
| 173 | D | B | -1.3056 | |
| 174 | V | B | 0.0000 | |
| 175 | S | B | -1.9974 | |
| 176 | H | B | -2.1881 | |
| 177 | E | B | -2.7400 | |
| 178 | D | B | -2.3952 | |
| 179 | P | B | -2.3793 | |
| 180 | E | B | -3.0486 | |
| 181 | V | B | -2.0018 | |
| 182 | K | B | -2.2145 | |
| 183 | F | B | -1.1618 | |
| 184 | N | B | -1.0954 | |
| 185 | W | B | 0.0000 | |
| 186 | Y | B | -0.6289 | |
| 187 | V | B | -0.9445 | |
| 188 | D | B | -2.2301 | |
| 189 | G | B | -0.9098 | |
| 190 | V | B | 0.7575 | |
| 191 | E | B | -0.5275 | |
| 192 | V | B | -0.4839 | |
| 193 | H | B | -1.8435 | |
| 194 | N | B | -2.1520 | |
| 195 | A | B | -1.8508 | |
| 196 | K | B | -2.3347 | |
| 197 | T | B | -1.7467 | |
| 198 | K | B | -1.9121 | |
| 199 | P | B | -2.1297 | |
| 200 | R | B | -3.3228 | |
| 201 | E | B | -3.3223 | |
| 202 | E | B | -3.2294 | |
| 203 | Q | B | -1.6920 | |
| 204 | Y | B | 0.1661 | |
| 205 | Q | B | -0.6813 | |
| 206 | S | B | -0.9204 | |
| 207 | T | B | -1.7589 | |
| 208 | Y | B | 0.0000 | |
| 209 | R | B | -2.1942 | |
| 210 | V | B | 0.0000 | |
| 211 | V | B | 0.0000 | |
| 212 | S | B | 0.0000 | |
| 213 | V | B | 0.0000 | |
| 214 | L | B | 0.0000 | |
| 215 | T | B | -0.7314 | |
| 216 | V | B | 0.0000 | |
| 217 | L | B | 0.7157 | |
| 218 | H | B | -0.1805 | |
| 219 | Q | B | -1.2913 | |
| 220 | D | B | -1.3885 | |
| 221 | W | B | 0.0000 | |
| 222 | L | B | -1.0752 | |
| 223 | N | B | -2.1640 | |
| 224 | G | B | -2.0853 | |
| 225 | K | B | -2.2488 | |
| 226 | E | B | -2.6213 | |
| 227 | Y | B | 0.0000 | |
| 228 | K | B | -1.6665 | |
| 229 | C | B | 0.0000 | |
| 230 | K | B | -1.4710 | |
| 231 | V | B | 0.0000 | |
| 232 | S | B | -1.4643 | |
| 233 | N | B | 0.0000 | |
| 234 | K | B | -2.5325 | |
| 235 | A | B | -1.2716 | |
| 236 | L | B | -0.4129 | |
| 237 | P | B | -0.2932 | |
| 238 | A | B | -0.4417 | |
| 239 | P | B | -0.8736 | |
| 240 | I | B | -0.5597 | |
| 241 | E | B | -1.8796 | |
| 242 | K | B | -1.1110 | |
| 243 | T | B | -1.0292 | |
| 244 | I | B | -0.3041 | |
| 245 | S | B | -1.2576 | |
| 246 | K | B | -1.3416 | |
| 247 | A | B | -1.1930 | |
| 248 | K | B | -2.3263 | |
| 249 | G | B | -1.9672 | |
| 250 | Q | B | -1.9504 | |
| 251 | P | B | -1.7540 | |
| 252 | R | B | -2.0488 | |
| 253 | E | B | -2.4596 | |
| 254 | P | B | 0.0000 | |
| 255 | Q | B | -1.2546 | |
| 256 | V | B | 0.0000 | |
| 257 | Y | B | 0.0000 | |
| 258 | T | B | -0.8427 | |
| 259 | L | B | 0.0000 | |
| 260 | P | B | -0.2749 | |
| 261 | P | B | -0.7654 | |
| 262 | C | B | 0.0000 | |
| 263 | R | B | -2.7959 | |
| 264 | D | B | -2.9611 | |
| 265 | E | B | 0.0000 | |
| 266 | L | B | -2.0024 | |
| 267 | T | B | -1.8999 | |
| 268 | K | B | -2.4353 | |
| 269 | N | B | -2.5434 | |
| 270 | Q | B | -2.2571 | |
| 271 | V | B | 0.0000 | |
| 272 | S | B | 0.0000 | |
| 273 | L | B | 0.0000 | |
| 274 | W | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | L | B | 0.0000 | |
| 277 | V | B | 0.0000 | |
| 278 | K | B | -0.4323 | |
| 279 | G | B | 0.0000 | |
| 280 | F | B | 0.0000 | |
| 281 | Y | B | -1.0274 | |
| 282 | P | B | 0.0000 | |
| 283 | S | B | -0.1976 | |
| 284 | D | B | -1.1544 | |
| 285 | I | B | -0.5863 | |
| 286 | A | B | 0.0000 | |
| 287 | V | B | 0.0000 | |
| 288 | E | B | -1.1014 | |
| 289 | W | B | 0.0000 | |
| 290 | E | B | -1.6752 | |
| 291 | S | B | 0.0000 | |
| 292 | N | B | -1.7738 | |
| 293 | G | B | -1.7117 | |
| 294 | Q | B | -2.2888 | |
| 295 | P | B | -1.9405 | |
| 296 | E | B | -1.8403 | |
| 297 | N | B | -2.0679 | |
| 298 | N | B | -1.4432 | |
| 299 | Y | B | -1.0339 | |
| 300 | K | B | -0.8268 | |
| 301 | T | B | -0.4389 | |
| 302 | T | B | 0.0000 | |
| 303 | P | B | -0.0226 | |
| 304 | P | B | 0.2279 | |
| 305 | V | B | 0.7074 | |
| 306 | L | B | 1.0800 | |
| 307 | D | B | -0.3141 | |
| 308 | S | B | -1.0479 | |
| 309 | D | B | -1.8653 | |
| 310 | G | B | -0.8509 | |
| 311 | S | B | 0.0000 | |
| 312 | F | B | 0.2955 | |
| 313 | F | B | 0.0000 | |
| 314 | L | B | 0.0000 | |
| 315 | Y | B | 0.0000 | |
| 316 | S | B | 0.0000 | |
| 317 | K | B | 0.0000 | |
| 318 | L | B | 0.0000 | |
| 319 | T | B | -0.8377 | |
| 320 | V | B | 0.0000 | |
| 321 | D | B | -2.2277 | |
| 322 | K | B | -2.4363 | |
| 323 | S | B | -2.1045 | |
| 324 | R | B | -1.7609 | |
| 325 | W | B | 0.0000 | |
| 326 | Q | B | -2.0992 | |
| 327 | Q | B | -1.9351 | |
| 328 | G | B | -0.8074 | |
| 329 | N | B | -0.4863 | |
| 330 | V | B | 0.6952 | |
| 331 | F | B | 0.0000 | |
| 332 | S | B | 0.0000 | |
| 333 | C | B | 0.0000 | |
| 334 | S | B | 0.0000 | |
| 335 | V | B | 0.0000 | |
| 336 | M | B | -0.3468 | |
| 337 | H | B | 0.0000 | |
| 338 | E | B | -1.0185 | |
| 339 | A | B | -1.4366 | |
| 340 | L | B | -1.3247 | |
| 341 | H | B | -1.6951 | |
| 342 | N | B | -1.6064 | |
| 343 | H | B | -1.0575 | |
| 344 | Y | B | -0.2188 | |
| 345 | T | B | -0.6062 | |
| 346 | Q | B | -1.0408 | |
| 347 | K | B | -1.1457 | |
| 348 | S | B | -0.5295 | |
| 349 | L | B | 0.0000 | |
| 350 | S | B | 0.0000 | |
| 351 | L | B | 0.2692 | |
| 352 | S | B | -0.4819 | |
| 353 | G | B | -0.3324 | |
| 354 | G | B | -0.8974 | |
| 355 | G | B | -1.7285 | |
| 356 | G | B | -1.4904 | |
| 357 | S | B | -1.4994 | |
| 358 | D | B | -2.3377 | |
| 359 | L | B | -0.7768 | |
| 360 | R | B | -2.2688 | |
| 361 | Q | B | -1.8113 | |
| 362 | G | B | 0.0000 | |
| 363 | M | B | 0.0000 | |
| 364 | F | B | 0.0000 | |
| 365 | A | B | 0.0000 | |
| 366 | Q | B | 0.0000 | |
| 367 | L | B | 0.0000 | |
| 368 | V | B | 0.0000 | |
| 369 | A | B | 0.0000 | |
| 370 | Q | B | -0.7371 | |
| 371 | N | B | -0.0218 | |
| 372 | V | B | 0.5116 | |
| 373 | L | B | 1.5249 | |
| 374 | L | B | 0.0000 | |
| 375 | I | B | 1.2855 | |
| 376 | D | B | -1.0230 | |
| 377 | G | B | -0.6081 | |
| 378 | P | B | -0.5367 | |
| 379 | L | B | 0.0000 | |
| 380 | S | B | -1.0916 | |
| 381 | W | B | 0.0000 | |
| 382 | Y | B | -0.3357 | |
| 383 | S | B | -0.9718 | |
| 384 | D | B | -1.6047 | |
| 385 | P | B | -0.9394 | |
| 386 | G | B | -0.7058 | |
| 387 | L | B | 0.0732 | |
| 388 | A | B | -0.0233 | |
| 389 | G | B | -0.4317 | |
| 390 | V | B | 0.0000 | |
| 391 | S | B | -0.3291 | |
| 392 | L | B | -0.2249 | |
| 393 | T | B | -0.4746 | |
| 394 | G | B | -1.2116 | |
| 395 | G | B | -1.0746 | |
| 396 | L | B | 0.0000 | |
| 397 | S | B | -0.5451 | |
| 398 | Y | B | 0.0000 | |
| 399 | K | B | -2.3483 | |
| 400 | E | B | -3.1404 | |
| 401 | D | B | -3.0408 | |
| 402 | T | B | -1.9423 | |
| 403 | K | B | -2.0016 | |
| 404 | E | B | 0.0000 | |
| 405 | L | B | 0.0000 | |
| 406 | V | B | -0.4689 | |
| 407 | V | B | 0.0000 | |
| 408 | A | B | -1.0899 | |
| 409 | K | B | -1.9223 | |
| 410 | S | B | -1.2726 | |
| 411 | G | B | -0.8716 | |
| 412 | V | B | 0.0000 | |
| 413 | Y | B | 0.0000 | |
| 414 | Y | B | 0.0000 | |
| 415 | V | B | 0.0000 | |
| 416 | F | B | 0.0000 | |
| 417 | F | B | 0.0000 | |
| 418 | Q | B | 0.0000 | |
| 419 | L | B | 0.0000 | |
| 420 | E | B | -0.7574 | |
| 421 | L | B | 0.0000 | |
| 422 | R | B | -1.9693 | |
| 423 | R | B | 0.0000 | |
| 424 | V | B | 0.6514 | |
| 425 | V | B | 0.3248 | |
| 426 | A | B | -0.0413 | |
| 427 | G | B | -0.9664 | |
| 428 | E | B | -1.1449 | |
| 429 | G | B | 0.0000 | |
| 430 | S | B | -1.6156 | |
| 431 | G | B | -1.5145 | |
| 432 | S | B | -1.3837 | |
| 433 | V | B | 0.0000 | |
| 434 | S | B | -0.8655 | |
| 435 | L | B | 0.0000 | |
| 436 | A | B | -0.1816 | |
| 437 | L | B | 0.0000 | |
| 438 | Y | B | 0.2108 | |
| 439 | L | B | -0.2082 | |
| 440 | Q | B | -0.6679 | |
| 441 | P | B | -0.6835 | |
| 442 | L | B | -0.3987 | |
| 443 | R | B | -1.7048 | |
| 444 | S | B | -0.9593 | |
| 445 | A | B | -0.5161 | |
| 446 | S | B | -0.5710 | |
| 447 | G | B | -0.5567 | |
| 448 | A | B | -0.0580 | |
| 449 | A | B | 0.0980 | |
| 450 | A | B | 0.1575 | |
| 451 | L | B | 0.0000 | |
| 452 | A | B | 0.0013 | |
| 453 | L | B | 0.0000 | |
| 454 | T | B | -0.1500 | |
| 455 | V | B | 0.0000 | |
| 456 | D | B | -0.6769 | |
| 457 | L | B | 0.0000 | |
| 458 | P | B | -1.2923 | |
| 459 | P | B | -1.4278 | |
| 460 | A | B | -1.1061 | |
| 461 | S | B | -1.2604 | |
| 462 | S | B | -1.5303 | |
| 463 | E | B | -2.3868 | |
| 464 | A | B | -1.8144 | |
| 465 | R | B | -2.1723 | |
| 466 | N | B | -2.2216 | |
| 467 | S | B | -1.4882 | |
| 468 | A | B | 0.0000 | |
| 469 | F | B | 0.1986 | |
| 470 | G | B | 0.0000 | |
| 471 | F | B | 0.0000 | |
| 472 | Q | B | 0.0000 | |
| 473 | G | B | 0.0000 | |
| 474 | R | B | -0.3816 | |
| 475 | L | B | 0.0000 | |
| 476 | L | B | -0.4690 | |
| 477 | H | B | -1.0479 | |
| 478 | L | B | 0.0000 | |
| 479 | S | B | -0.8046 | |
| 480 | A | B | -0.9375 | |
| 481 | G | B | -0.8969 | |
| 482 | Q | B | 0.0000 | |
| 483 | R | B | -0.6148 | |
| 484 | L | B | 0.0000 | |
| 485 | G | B | 0.0000 | |
| 486 | V | B | 0.0000 | |
| 487 | H | B | -0.6436 | |
| 488 | L | B | 0.0000 | |
| 489 | H | B | -1.6301 | |
| 490 | T | B | 0.0000 | |
| 491 | E | B | -3.0728 | |
| 492 | A | B | -2.4194 | |
| 493 | R | B | -3.1335 | |
| 494 | A | B | 0.0000 | |
| 495 | R | B | -2.4072 | |
| 496 | H | B | -1.5909 | |
| 497 | A | B | 0.0000 | |
| 498 | W | B | 0.0000 | |
| 499 | Q | B | -0.2366 | |
| 500 | L | B | 0.0000 | |
| 501 | T | B | -1.1183 | |
| 502 | Q | B | -1.7944 | |
| 503 | G | B | -1.0725 | |
| 504 | A | B | -0.6497 | |
| 505 | T | B | 0.0000 | |
| 506 | V | B | 0.0000 | |
| 507 | L | B | 0.0000 | |
| 508 | G | B | 0.0000 | |
| 509 | L | B | 0.0000 | |
| 510 | F | B | 0.0000 | |
| 511 | R | B | -0.7150 | |
| 512 | C | B | 0.0000 | |
| 513 | T | B | -1.0827 | |
| 514 | P | B | -1.8446 | |
| 515 | E | B | -2.9296 |
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 | -0.5954 | 5.0775 | View | CSV | PDB |
| 4.5 | -0.6512 | 5.0775 | View | CSV | PDB |
| 5.0 | -0.7173 | 5.0775 | View | CSV | PDB |
| 5.5 | -0.78 | 5.0775 | View | CSV | PDB |
| 6.0 | -0.8257 | 5.0775 | View | CSV | PDB |
| 6.5 | -0.846 | 5.0775 | View | CSV | PDB |
| 7.0 | -0.8426 | 5.0775 | View | CSV | PDB |
| 7.5 | -0.8244 | 5.0775 | View | CSV | PDB |
| 8.0 | -0.7984 | 5.0775 | View | CSV | PDB |
| 8.5 | -0.7668 | 5.0775 | View | CSV | PDB |
| 9.0 | -0.7294 | 5.0775 | 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