| Chain sequence(s) |
A: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVCTLPPSRDELTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
C: APASSSTKKTQLQLEHLLLDLQMILNGINNYKNPKLTRMLTFKFYMPKKATELKHLQCLEEELKPLEEVLNLADKTHTDLISRINVIVLELKGSETTFMCEYADETATIVEFLNRWITFSQSIIRTLTGGGGSGGGGSDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPCRDELTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKGGGGSGGGGSGGGGSDVVLSPSHGIELSVGEKLVLNCTARTELNVGIDFNWEYPSSKHQHKKLVNRDLKTQSGSEMKKFLSTLTIDGVTRSDQGLYTCAASSGLMTKKNSTFVRVHEK 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] (00:00:04)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:04)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:04)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:04)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:31:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b10a79eeca95dc2/tmp/folded.pdb (00:31:49)
[INFO] Main: Simulation completed successfully. (00:40:53)
|
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 | 0.0000 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -0.7284 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | -0.2516 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.3853 | |
| 8 | G | A | 0.1986 | |
| 9 | V | A | 1.4540 | |
| 10 | E | A | 0.3159 | |
| 11 | V | A | 0.2839 | |
| 12 | K | A | -1.0729 | |
| 13 | K | A | -1.9232 | |
| 14 | P | A | -1.5548 | |
| 15 | G | A | -1.3728 | |
| 16 | A | A | -1.3457 | |
| 17 | S | A | -1.7818 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -2.2119 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.7702 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -1.3459 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.7275 | |
| 26 | G | A | -0.5338 | |
| 27 | Y | A | 0.0000 | |
| 28 | T | A | -0.2005 | |
| 29 | F | A | 0.0000 | |
| 30 | T | A | -0.4695 | |
| 31 | N | A | -0.2219 | |
| 32 | Y | A | 0.0000 | |
| 33 | Y | A | -0.0025 | |
| 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 | -0.5896 | |
| 40 | A | A | -1.0126 | |
| 41 | P | A | -1.0329 | |
| 42 | G | A | -1.2197 | |
| 43 | Q | A | -1.7382 | |
| 44 | G | A | -1.0608 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.5621 | |
| 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 | 0.0000 | |
| 54 | S | A | -1.0425 | |
| 55 | N | A | -1.4959 | |
| 56 | G | A | -1.1423 | |
| 57 | G | A | -1.0899 | |
| 58 | T | A | -0.8400 | |
| 59 | N | A | -1.3869 | |
| 60 | F | A | -1.6228 | |
| 61 | N | A | -2.1367 | |
| 62 | E | A | -3.4765 | |
| 63 | K | A | -3.2422 | |
| 64 | F | A | 0.0000 | |
| 65 | K | A | -3.3788 | |
| 66 | N | A | -2.8890 | |
| 67 | R | A | -2.3847 | |
| 68 | V | A | 0.0000 | |
| 69 | T | A | -1.1374 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.3617 | |
| 72 | T | A | -0.7781 | |
| 73 | D | A | -1.0926 | |
| 74 | S | A | -0.7208 | |
| 75 | S | A | -0.5578 | |
| 76 | T | A | -0.7048 | |
| 77 | T | A | -0.8263 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.6848 | |
| 81 | M | A | 0.0000 | |
| 82 | E | A | -1.7484 | |
| 83 | L | A | 0.0000 | |
| 84 | K | A | -2.2982 | |
| 85 | S | A | -1.6616 | |
| 86 | L | A | 0.0000 | |
| 87 | Q | A | -1.4783 | |
| 88 | F | A | 0.1166 | |
| 89 | D | A | -1.2788 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.2365 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.3227 | |
| 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 | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | R | A | 0.0000 | |
| 103 | F | A | 0.3835 | |
| 104 | D | A | 0.0000 | |
| 105 | M | A | 0.3560 | |
| 106 | G | A | 0.0000 | |
| 107 | F | A | 0.0000 | |
| 108 | D | A | -0.2293 | |
| 109 | Y | A | -0.2474 | |
| 110 | W | A | -0.3776 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -1.3891 | |
| 113 | G | A | -0.5035 | |
| 114 | T | A | 0.0000 | |
| 115 | T | A | 0.4342 | |
| 116 | V | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | S | A | -0.5816 | |
| 120 | S | A | -0.6162 | |
| 121 | A | A | -0.6035 | |
| 122 | S | A | -0.6642 | |
| 123 | T | A | -0.7007 | |
| 124 | K | A | -1.1506 | |
| 125 | G | A | -1.3770 | |
| 126 | P | A | 0.0000 | |
| 127 | S | A | -0.3309 | |
| 128 | V | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | P | A | -0.9663 | |
| 131 | L | A | 0.0000 | |
| 132 | A | A | -1.2392 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | -0.8907 | |
| 135 | S | A | -0.5159 | |
| 136 | K | A | -0.8804 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.6454 | |
| 139 | S | A | -0.6626 | |
| 140 | G | A | -0.7893 | |
| 141 | G | A | -0.8607 | |
| 142 | T | A | -0.6023 | |
| 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 | -0.3516 | |
| 152 | Y | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | E | A | -0.5710 | |
| 156 | P | A | -1.0134 | |
| 157 | V | A | 0.0000 | |
| 158 | T | A | -0.7202 | |
| 159 | V | A | -0.3134 | |
| 160 | S | A | -0.2352 | |
| 161 | W | A | 0.0000 | |
| 162 | N | A | -0.5847 | |
| 163 | S | A | -0.5337 | |
| 164 | G | A | -0.3769 | |
| 165 | A | A | -0.1222 | |
| 166 | L | A | 0.0747 | |
| 167 | T | A | -0.1054 | |
| 168 | S | A | -0.1604 | |
| 169 | G | A | -0.1705 | |
| 170 | V | A | 0.1977 | |
| 171 | H | A | -0.2882 | |
| 172 | T | A | 0.0101 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | -0.3584 | |
| 175 | A | A | 0.1147 | |
| 176 | V | A | 0.4723 | |
| 177 | L | A | 1.0980 | |
| 178 | Q | A | 0.2831 | |
| 179 | S | A | -0.0487 | |
| 180 | S | A | -0.1958 | |
| 181 | G | A | 0.0457 | |
| 182 | L | A | 0.0647 | |
| 183 | Y | A | 0.3050 | |
| 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 | -0.1136 | |
| 191 | V | A | 0.0000 | |
| 192 | P | A | -0.6124 | |
| 193 | S | A | -0.5743 | |
| 194 | S | A | -0.5887 | |
| 195 | S | A | -0.5787 | |
| 196 | L | A | -0.7935 | |
| 197 | G | A | -0.8962 | |
| 198 | T | A | -0.5980 | |
| 199 | Q | A | -1.2090 | |
| 200 | T | A | -1.0361 | |
| 201 | Y | A | 0.0000 | |
| 202 | I | A | -0.9974 | |
| 203 | C | A | 0.0000 | |
| 204 | N | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | N | A | -2.0713 | |
| 207 | H | A | 0.0000 | |
| 208 | K | A | -2.8390 | |
| 209 | P | A | -1.6931 | |
| 210 | S | A | -1.8400 | |
| 211 | N | A | -2.6091 | |
| 212 | T | A | -2.1109 | |
| 213 | K | A | -2.6819 | |
| 214 | V | A | -1.4644 | |
| 215 | D | A | -2.2121 | |
| 216 | K | A | -1.8439 | |
| 217 | K | A | -2.0988 | |
| 218 | V | A | 0.0000 | |
| 219 | E | A | -2.7780 | |
| 220 | P | A | -1.7736 | |
| 221 | K | A | -2.2081 | |
| 222 | S | A | -1.8392 | |
| 223 | C | A | -1.1256 | |
| 224 | D | A | -2.6809 | |
| 225 | K | A | -2.7669 | |
| 226 | T | A | -1.7159 | |
| 227 | H | A | -1.5686 | |
| 228 | T | A | -0.5277 | |
| 229 | C | A | 0.3257 | |
| 230 | P | A | -0.0932 | |
| 231 | P | A | 0.1523 | |
| 232 | C | A | 0.5290 | |
| 233 | P | A | -0.3571 | |
| 234 | A | A | -0.5003 | |
| 235 | P | A | -1.0474 | |
| 236 | E | A | -2.0240 | |
| 237 | A | A | -1.0499 | |
| 238 | A | A | -0.6993 | |
| 239 | G | A | -0.7837 | |
| 240 | G | A | -1.0507 | |
| 241 | P | A | 0.0000 | |
| 242 | S | A | -0.6647 | |
| 243 | V | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | F | A | 0.0000 | |
| 247 | P | A | -0.1603 | |
| 248 | P | A | 0.0000 | |
| 249 | K | A | -0.9646 | |
| 250 | P | A | -0.7203 | |
| 251 | K | A | -0.9222 | |
| 252 | D | A | -0.8688 | |
| 253 | T | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | M | A | 0.1809 | |
| 256 | I | A | 1.1815 | |
| 257 | S | A | 0.0227 | |
| 258 | R | A | -1.0898 | |
| 259 | T | A | -0.4744 | |
| 260 | P | A | 0.0000 | |
| 261 | E | A | -0.3868 | |
| 262 | V | A | 0.0000 | |
| 263 | T | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | D | A | -0.8780 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | -2.0964 | |
| 271 | H | A | -2.4784 | |
| 272 | E | A | -2.8741 | |
| 273 | D | A | -2.3835 | |
| 274 | P | A | -2.5166 | |
| 275 | E | A | -3.0833 | |
| 276 | V | A | -2.0024 | |
| 277 | K | A | -2.2473 | |
| 278 | F | A | -1.1152 | |
| 279 | N | A | -1.1017 | |
| 280 | W | A | 0.0000 | |
| 281 | Y | A | -0.4987 | |
| 282 | V | A | -0.3430 | |
| 283 | D | A | -1.6329 | |
| 284 | G | A | -0.7724 | |
| 285 | V | A | 0.8407 | |
| 286 | E | A | -0.5770 | |
| 287 | V | A | -0.5719 | |
| 288 | H | A | -1.8066 | |
| 289 | N | A | -2.0472 | |
| 290 | A | A | -1.5175 | |
| 291 | K | A | -1.8264 | |
| 292 | T | A | -1.5856 | |
| 293 | K | A | -1.7880 | |
| 294 | P | A | -1.9778 | |
| 295 | R | A | -3.0026 | |
| 296 | E | A | -2.5540 | |
| 297 | E | A | -2.6456 | |
| 298 | Q | A | 0.0000 | |
| 299 | Y | A | 0.4249 | |
| 300 | N | A | -0.3953 | |
| 301 | S | A | -0.7606 | |
| 302 | T | A | -1.4524 | |
| 303 | Y | A | -1.9196 | |
| 304 | R | A | -1.6143 | |
| 305 | V | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | S | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | T | A | -0.3636 | |
| 311 | V | A | 0.0000 | |
| 312 | L | A | 0.5038 | |
| 313 | H | A | -0.1817 | |
| 314 | Q | A | -1.0683 | |
| 315 | D | A | -1.1111 | |
| 316 | W | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | N | A | -0.9924 | |
| 319 | G | A | -1.2555 | |
| 320 | K | A | -1.5314 | |
| 321 | E | A | -1.4999 | |
| 322 | Y | A | 0.0000 | |
| 323 | K | A | -1.0513 | |
| 324 | C | A | 0.0000 | |
| 325 | K | A | -1.3159 | |
| 326 | V | A | 0.0000 | |
| 327 | S | A | -1.4835 | |
| 328 | N | A | 0.0000 | |
| 329 | K | A | -2.5121 | |
| 330 | A | A | -1.4092 | |
| 331 | L | A | -0.8186 | |
| 332 | P | A | -0.7546 | |
| 333 | A | A | -0.4477 | |
| 334 | P | A | -1.0634 | |
| 335 | I | A | -0.9611 | |
| 336 | E | A | -1.8276 | |
| 337 | K | A | -1.4594 | |
| 338 | T | A | -0.8173 | |
| 339 | I | A | -0.1549 | |
| 340 | S | A | -0.8159 | |
| 341 | K | A | 0.0000 | |
| 342 | A | A | -1.0875 | |
| 343 | K | A | -1.7286 | |
| 344 | G | A | -0.9563 | |
| 345 | Q | A | 0.0000 | |
| 346 | P | A | 0.0000 | |
| 347 | R | A | -0.5732 | |
| 348 | E | A | -0.9055 | |
| 349 | P | A | 0.0000 | |
| 350 | Q | A | -0.6441 | |
| 351 | V | A | 0.0000 | |
| 352 | C | A | 0.0000 | |
| 353 | T | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | P | A | -0.3674 | |
| 356 | P | A | -0.8857 | |
| 357 | S | A | 0.0000 | |
| 358 | R | A | -2.6865 | |
| 359 | D | A | -2.8455 | |
| 360 | E | A | 0.0000 | |
| 361 | L | A | -1.9039 | |
| 362 | T | A | -1.6415 | |
| 363 | K | A | -2.1937 | |
| 364 | N | A | -2.4702 | |
| 365 | Q | A | -2.2092 | |
| 366 | V | A | 0.0000 | |
| 367 | S | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | S | A | 0.0000 | |
| 370 | C | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | V | A | 0.0000 | |
| 373 | K | A | -0.3420 | |
| 374 | G | A | -0.4530 | |
| 375 | F | A | 0.0000 | |
| 376 | Y | A | -0.3100 | |
| 377 | P | A | 0.0000 | |
| 378 | S | A | -0.1557 | |
| 379 | D | A | -0.4835 | |
| 380 | I | A | -0.2207 | |
| 381 | A | A | -0.3132 | |
| 382 | V | A | 0.0000 | |
| 383 | E | A | -0.9818 | |
| 384 | W | A | 0.0000 | |
| 385 | E | A | -1.7296 | |
| 386 | S | A | 0.0000 | |
| 387 | N | A | -1.8388 | |
| 388 | G | A | -1.7501 | |
| 389 | Q | A | -2.2852 | |
| 390 | P | A | -1.9188 | |
| 391 | E | A | -1.8267 | |
| 392 | N | A | -2.0177 | |
| 393 | N | A | -1.3821 | |
| 394 | Y | A | -0.8251 | |
| 395 | K | A | -0.7003 | |
| 396 | T | A | -0.2196 | |
| 397 | T | A | 0.0000 | |
| 398 | P | A | 0.0000 | |
| 399 | P | A | -0.2239 | |
| 400 | V | A | 0.0000 | |
| 401 | L | A | -0.8088 | |
| 402 | D | A | 0.0000 | |
| 403 | S | A | -0.7720 | |
| 404 | D | A | -0.7098 | |
| 405 | G | A | -0.4645 | |
| 406 | S | A | 0.0000 | |
| 407 | F | A | 0.0000 | |
| 408 | F | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | S | A | 0.0000 | |
| 412 | K | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | T | A | -0.8595 | |
| 415 | V | A | 0.0000 | |
| 416 | D | A | -2.4627 | |
| 417 | K | A | -2.5989 | |
| 418 | S | A | -2.1534 | |
| 419 | R | A | -1.9242 | |
| 420 | W | A | 0.0000 | |
| 421 | Q | A | -2.1704 | |
| 422 | Q | A | -2.0171 | |
| 423 | G | A | -1.0689 | |
| 424 | N | A | -0.7769 | |
| 425 | V | A | 0.2860 | |
| 426 | F | A | 0.0000 | |
| 427 | S | A | 0.0000 | |
| 428 | C | A | 0.0000 | |
| 429 | S | A | 0.0000 | |
| 430 | V | A | 0.0000 | |
| 431 | M | A | 0.0000 | |
| 432 | H | A | 0.0000 | |
| 433 | E | A | -0.7428 | |
| 434 | A | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | H | A | -1.6406 | |
| 437 | N | A | -1.4051 | |
| 438 | H | A | -0.7348 | |
| 439 | Y | A | -0.3939 | |
| 440 | T | A | -0.6420 | |
| 441 | Q | A | -1.0126 | |
| 442 | K | A | -0.9467 | |
| 443 | S | A | -0.4118 | |
| 444 | L | A | 0.0000 | |
| 445 | S | A | -0.0866 | |
| 446 | L | A | -0.3252 | |
| 447 | S | A | -0.6017 | |
| 448 | P | A | -1.2302 | |
| 449 | G | A | -1.4253 | |
| 450 | K | A | -2.1021 | |
| 1 | E | B | -1.6279 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.5915 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.5569 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.6198 | |
| 8 | P | B | -0.2450 | |
| 9 | A | B | -0.2080 | |
| 10 | T | B | -0.1175 | |
| 11 | L | B | -0.0718 | |
| 12 | S | B | -0.5143 | |
| 13 | L | B | -1.0084 | |
| 14 | S | B | -1.2282 | |
| 15 | P | B | -1.2945 | |
| 16 | G | B | -1.5641 | |
| 17 | E | B | -2.1021 | |
| 18 | R | B | -2.4847 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.6742 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.8741 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.4261 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.3078 | |
| 27 | K | B | -2.1446 | |
| 28 | G | B | -1.5621 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -0.4618 | |
| 31 | T | B | 0.0000 | |
| 32 | S | B | -0.7112 | |
| 33 | G | B | -0.5924 | |
| 34 | Y | B | 0.1411 | |
| 35 | S | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 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 | -0.9188 | |
| 44 | P | B | -1.2264 | |
| 45 | G | B | -1.3649 | |
| 46 | Q | B | -1.9218 | |
| 47 | A | B | -1.1533 | |
| 48 | P | B | 0.0000 | |
| 49 | R | B | -0.5732 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | Y | B | 0.4516 | |
| 54 | L | B | 0.0000 | |
| 55 | A | B | 0.0000 | |
| 56 | S | B | 0.1214 | |
| 57 | Y | B | 0.7687 | |
| 58 | L | B | 0.4226 | |
| 59 | E | B | -0.1221 | |
| 60 | S | B | -0.3528 | |
| 61 | G | B | 0.0000 | |
| 62 | V | B | 0.0000 | |
| 63 | P | B | 0.0000 | |
| 64 | A | B | -0.7635 | |
| 65 | R | B | -0.8706 | |
| 66 | F | B | 0.0000 | |
| 67 | S | B | -0.1332 | |
| 68 | G | B | 0.0000 | |
| 69 | S | B | -0.5955 | |
| 70 | G | B | -1.1468 | |
| 71 | S | B | -1.0556 | |
| 72 | G | B | -1.2808 | |
| 73 | T | B | -1.9569 | |
| 74 | D | B | -2.2684 | |
| 75 | F | B | 0.0000 | |
| 76 | T | B | -0.8079 | |
| 77 | L | B | 0.0000 | |
| 78 | T | B | -0.5925 | |
| 79 | I | B | 0.0000 | |
| 80 | S | B | -1.1658 | |
| 81 | S | B | -1.4950 | |
| 82 | L | B | 0.0000 | |
| 83 | E | B | 0.0000 | |
| 84 | P | B | -0.4610 | |
| 85 | E | B | 0.0000 | |
| 86 | D | B | 0.0000 | |
| 87 | F | B | 0.2155 | |
| 88 | A | B | 0.0000 | |
| 89 | V | B | 0.0878 | |
| 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 | 0.0000 | |
| 97 | D | B | -0.6042 | |
| 98 | L | B | -0.4682 | |
| 99 | P | B | -0.8137 | |
| 100 | L | B | 0.0000 | |
| 101 | T | B | 0.0222 | |
| 102 | F | B | 0.2616 | |
| 103 | G | B | 0.0000 | |
| 104 | G | B | -0.5615 | |
| 105 | G | B | -0.4858 | |
| 106 | T | B | 0.0000 | |
| 107 | K | B | -0.3327 | |
| 108 | V | B | 0.0000 | |
| 109 | E | B | 0.0000 | |
| 110 | I | B | -0.7070 | |
| 111 | K | B | -1.5024 | |
| 112 | R | B | -1.1094 | |
| 113 | T | B | -0.1769 | |
| 114 | V | B | 0.3446 | |
| 115 | A | B | -0.0317 | |
| 116 | A | B | -0.0624 | |
| 117 | P | B | 0.0000 | |
| 118 | S | B | -0.2125 | |
| 119 | V | B | 0.0000 | |
| 120 | F | B | 0.0000 | |
| 121 | I | B | 0.0000 | |
| 122 | F | B | 0.0000 | |
| 123 | P | B | -0.6953 | |
| 124 | P | B | 0.0000 | |
| 125 | S | B | -1.5649 | |
| 126 | D | B | -2.5926 | |
| 127 | E | B | -2.2963 | |
| 128 | Q | B | 0.0000 | |
| 129 | L | B | -2.0370 | |
| 130 | K | B | -2.6228 | |
| 131 | S | B | -1.6253 | |
| 132 | G | B | -1.1794 | |
| 133 | T | B | -0.9034 | |
| 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 | -0.8174 | |
| 143 | F | B | 0.0000 | |
| 144 | Y | B | 0.0000 | |
| 145 | P | B | -1.5118 | |
| 146 | R | B | -2.4801 | |
| 147 | E | B | -2.9597 | |
| 148 | A | B | -2.2535 | |
| 149 | K | B | -2.4818 | |
| 150 | V | B | 0.0000 | |
| 151 | Q | B | -0.6778 | |
| 152 | W | B | 0.0000 | |
| 153 | K | B | -0.5315 | |
| 154 | V | B | 0.0000 | |
| 155 | D | B | -1.7749 | |
| 156 | N | B | -1.4621 | |
| 157 | A | B | -0.2400 | |
| 158 | L | B | 0.7187 | |
| 159 | Q | B | -0.2969 | |
| 160 | S | B | -0.6418 | |
| 161 | G | B | -1.2465 | |
| 162 | N | B | -1.5326 | |
| 163 | S | B | -1.3923 | |
| 164 | Q | B | -1.3174 | |
| 165 | E | B | -1.5476 | |
| 166 | S | B | -0.8601 | |
| 167 | V | B | -0.7542 | |
| 168 | T | B | -1.1617 | |
| 169 | E | B | -2.2016 | |
| 170 | Q | B | -1.7385 | |
| 171 | D | B | -1.8143 | |
| 172 | S | B | -1.6617 | |
| 173 | K | B | -2.6074 | |
| 174 | D | B | -1.8059 | |
| 175 | S | B | 0.0000 | |
| 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 | -0.6566 | |
| 183 | L | B | 0.0000 | |
| 184 | T | B | -0.6031 | |
| 185 | L | B | -0.7104 | |
| 186 | S | B | -0.9221 | |
| 187 | K | B | -1.9306 | |
| 188 | A | B | -1.6913 | |
| 189 | D | B | -2.1975 | |
| 190 | Y | B | 0.0000 | |
| 191 | E | B | -3.2047 | |
| 192 | K | B | -3.3863 | |
| 193 | H | B | -2.7079 | |
| 194 | K | B | -2.8573 | |
| 195 | V | B | -1.2177 | |
| 196 | Y | B | 0.0000 | |
| 197 | A | B | 0.0000 | |
| 198 | C | B | 0.0000 | |
| 199 | E | B | -0.5710 | |
| 200 | V | B | 0.0000 | |
| 201 | T | B | -1.2631 | |
| 202 | H | B | 0.0000 | |
| 203 | Q | B | -1.7133 | |
| 204 | G | B | -0.4282 | |
| 205 | L | B | -0.2488 | |
| 206 | S | B | -0.4657 | |
| 207 | S | B | -0.4298 | |
| 208 | P | B | -0.6247 | |
| 209 | V | B | 0.1068 | |
| 210 | T | B | -0.2907 | |
| 211 | K | B | -0.5749 | |
| 212 | S | B | -0.4888 | |
| 213 | F | B | 0.0000 | |
| 214 | N | B | -1.6032 | |
| 215 | R | B | -2.2122 | |
| 216 | G | B | -1.8475 | |
| 217 | E | B | -2.0209 | |
| 218 | C | B | -0.8007 | |
| 1 | A | C | -0.3407 | |
| 2 | P | C | -0.5120 | |
| 3 | A | C | -0.7387 | |
| 4 | S | C | -0.8047 | |
| 5 | S | C | -1.0524 | |
| 6 | S | C | -1.0032 | |
| 7 | T | C | -1.0310 | |
| 8 | K | C | -1.7788 | |
| 9 | K | C | -1.5181 | |
| 10 | T | C | -1.0155 | |
| 11 | Q | C | -1.2506 | |
| 12 | L | C | -1.1919 | |
| 13 | Q | C | -0.7602 | |
| 14 | L | C | 0.0000 | |
| 15 | E | C | -0.9477 | |
| 16 | H | C | -0.4438 | |
| 17 | L | C | 0.0000 | |
| 18 | L | C | -0.1041 | |
| 19 | L | C | 0.1403 | |
| 20 | D | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | Q | C | 0.0000 | |
| 23 | M | C | 0.0000 | |
| 24 | I | C | 0.0000 | |
| 25 | L | C | 0.0000 | |
| 26 | N | C | 0.0000 | |
| 27 | G | C | -0.6218 | |
| 28 | I | C | 0.0000 | |
| 29 | N | C | 0.0000 | |
| 30 | N | C | -2.0757 | |
| 31 | Y | C | 0.0000 | |
| 32 | K | C | -3.2642 | |
| 33 | N | C | -3.3084 | |
| 34 | P | C | -1.9757 | |
| 35 | K | C | -2.1579 | |
| 36 | L | C | 0.0000 | |
| 37 | T | C | -1.5701 | |
| 38 | R | C | -1.6751 | |
| 39 | M | C | 0.0000 | |
| 40 | L | C | -0.8252 | |
| 41 | T | C | -0.7073 | |
| 42 | F | C | -0.6507 | |
| 43 | K | C | -1.5425 | |
| 44 | F | C | 0.0000 | |
| 45 | Y | C | 0.0000 | |
| 46 | M | C | -0.7369 | |
| 47 | P | C | 0.0000 | |
| 48 | K | C | 0.0000 | |
| 49 | K | C | 0.0000 | |
| 50 | A | C | 0.0000 | |
| 51 | T | C | -0.0752 | |
| 52 | E | C | -0.3645 | |
| 53 | L | C | -0.3575 | |
| 54 | K | C | -1.0539 | |
| 55 | H | C | 0.0000 | |
| 56 | L | C | 0.0000 | |
| 57 | Q | C | 0.0000 | |
| 58 | C | C | 0.0000 | |
| 59 | L | C | 0.0000 | |
| 60 | E | C | -0.3297 | |
| 61 | E | C | 0.0000 | |
| 62 | E | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -0.9849 | |
| 65 | P | C | -1.0281 | |
| 66 | L | C | 0.0000 | |
| 67 | E | C | 0.0000 | |
| 68 | E | C | -1.9837 | |
| 69 | V | C | 0.0000 | |
| 70 | L | C | 0.0000 | |
| 71 | N | C | 0.0000 | |
| 72 | L | C | -0.6165 | |
| 73 | A | C | 0.0000 | |
| 74 | D | C | -1.8583 | |
| 75 | K | C | -2.4320 | |
| 76 | T | C | -1.4693 | |
| 77 | H | C | -1.3405 | |
| 78 | T | C | 0.0000 | |
| 79 | D | C | -1.4770 | |
| 80 | L | C | -0.5490 | |
| 81 | I | C | 0.0000 | |
| 82 | S | C | 0.0000 | |
| 83 | R | C | -0.4445 | |
| 84 | I | C | 0.0000 | |
| 85 | N | C | -0.3232 | |
| 86 | V | C | 0.0000 | |
| 87 | I | C | 0.0000 | |
| 88 | V | C | 0.0000 | |
| 89 | L | C | 0.1305 | |
| 90 | E | C | -0.3657 | |
| 91 | L | C | 0.0000 | |
| 92 | K | C | -0.9308 | |
| 93 | G | C | -1.0523 | |
| 94 | S | C | -1.3017 | |
| 95 | E | C | -2.1755 | |
| 96 | T | C | -1.2038 | |
| 97 | T | C | -0.7546 | |
| 98 | F | C | 0.0000 | |
| 99 | M | C | -0.2514 | |
| 100 | C | C | 0.0000 | |
| 101 | E | C | 0.0000 | |
| 102 | Y | C | 0.0000 | |
| 103 | A | C | 0.0000 | |
| 104 | D | C | 0.0000 | |
| 105 | E | C | -1.8618 | |
| 106 | T | C | 0.0000 | |
| 107 | A | C | 0.0000 | |
| 108 | T | C | -1.0215 | |
| 109 | I | C | 0.0000 | |
| 110 | V | C | 0.0000 | |
| 111 | E | C | -1.9142 | |
| 112 | F | C | 0.0000 | |
| 113 | L | C | 0.0000 | |
| 114 | N | C | -1.0806 | |
| 115 | R | C | -1.0635 | |
| 116 | W | C | 0.0000 | |
| 117 | I | C | 0.0000 | |
| 118 | T | C | -0.5482 | |
| 119 | F | C | 0.0000 | |
| 120 | S | C | 0.0000 | |
| 121 | Q | C | -0.8684 | |
| 122 | S | C | -0.7882 | |
| 123 | I | C | 0.0000 | |
| 124 | I | C | -1.1199 | |
| 125 | R | C | -1.9934 | |
| 126 | T | C | -1.1464 | |
| 127 | L | C | -0.8399 | |
| 128 | T | C | -1.2033 | |
| 129 | G | C | -1.4071 | |
| 130 | G | C | -1.2841 | |
| 131 | G | C | -1.1709 | |
| 132 | G | C | -1.2126 | |
| 133 | S | C | -1.0755 | |
| 134 | G | C | -1.1436 | |
| 135 | G | C | -1.1924 | |
| 136 | G | C | -1.2828 | |
| 137 | G | C | -1.5587 | |
| 138 | S | C | -1.9312 | |
| 139 | D | C | -3.0222 | |
| 140 | K | C | -3.0329 | |
| 141 | T | C | -1.7923 | |
| 142 | H | C | -1.6532 | |
| 143 | T | C | -0.5583 | |
| 144 | C | C | 0.3260 | |
| 145 | P | C | -0.0506 | |
| 146 | P | C | 0.1125 | |
| 147 | C | C | 0.5133 | |
| 148 | P | C | -0.3506 | |
| 149 | A | C | -0.5509 | |
| 150 | P | C | -1.0313 | |
| 151 | E | C | -2.0442 | |
| 152 | A | C | -1.0561 | |
| 153 | A | C | -0.8880 | |
| 154 | G | C | -0.8081 | |
| 155 | G | C | -0.9602 | |
| 156 | P | C | 0.0000 | |
| 157 | S | C | -0.4447 | |
| 158 | V | C | 0.0000 | |
| 159 | F | C | 0.0000 | |
| 160 | L | C | 0.0000 | |
| 161 | F | C | 0.0172 | |
| 162 | P | C | 0.0000 | |
| 163 | P | C | 0.0000 | |
| 164 | K | C | -2.4082 | |
| 165 | P | C | -1.3864 | |
| 166 | K | C | -1.4240 | |
| 167 | D | C | -1.7396 | |
| 168 | T | C | 0.0000 | |
| 169 | L | C | 0.0000 | |
| 170 | M | C | 0.0348 | |
| 171 | I | C | 1.0579 | |
| 172 | S | C | -0.2158 | |
| 173 | R | C | -1.8008 | |
| 174 | T | C | -1.0621 | |
| 175 | P | C | 0.0000 | |
| 176 | E | C | -1.3466 | |
| 177 | V | C | 0.0000 | |
| 178 | T | C | -0.3173 | |
| 179 | C | C | 0.0000 | |
| 180 | V | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | 0.0000 | |
| 183 | D | C | -0.8873 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | -2.1286 | |
| 186 | H | C | -2.5360 | |
| 187 | E | C | -2.9433 | |
| 188 | D | C | -2.5496 | |
| 189 | P | C | -2.7683 | |
| 190 | E | C | -3.1455 | |
| 191 | V | C | -2.0117 | |
| 192 | K | C | -2.2550 | |
| 193 | F | C | -1.2049 | |
| 194 | N | C | -1.1153 | |
| 195 | W | C | 0.0000 | |
| 196 | Y | C | -0.5068 | |
| 197 | V | C | -0.7644 | |
| 198 | D | C | -1.9708 | |
| 199 | G | C | -0.7775 | |
| 200 | V | C | 0.6925 | |
| 201 | E | C | -0.5403 | |
| 202 | V | C | -0.5114 | |
| 203 | H | C | -1.8567 | |
| 204 | N | C | -2.1643 | |
| 205 | A | C | -1.8702 | |
| 206 | K | C | -2.3724 | |
| 207 | T | C | -1.8382 | |
| 208 | K | C | -1.9337 | |
| 209 | P | C | -2.0660 | |
| 210 | R | C | -3.0707 | |
| 211 | E | C | -3.4434 | |
| 212 | E | C | -3.3201 | |
| 213 | Q | C | 0.0000 | |
| 214 | Y | C | -1.7916 | |
| 215 | N | C | -1.0758 | |
| 216 | S | C | -1.2180 | |
| 217 | T | C | -1.6964 | |
| 218 | Y | C | 0.0000 | |
| 219 | R | C | 0.0000 | |
| 220 | V | C | 0.0000 | |
| 221 | V | C | 0.0000 | |
| 222 | S | C | 0.0000 | |
| 223 | V | C | 0.0000 | |
| 224 | L | C | 0.0000 | |
| 225 | T | C | -0.7086 | |
| 226 | V | C | 0.0000 | |
| 227 | L | C | 0.4492 | |
| 228 | H | C | 0.0000 | |
| 229 | Q | C | -1.2206 | |
| 230 | D | C | -1.5247 | |
| 231 | W | C | 0.0000 | |
| 232 | L | C | -1.0297 | |
| 233 | N | C | -2.1017 | |
| 234 | G | C | -2.1120 | |
| 235 | K | C | -2.1825 | |
| 236 | E | C | -2.0264 | |
| 237 | Y | C | 0.0000 | |
| 238 | K | C | -1.3936 | |
| 239 | C | C | 0.0000 | |
| 240 | K | C | -1.3382 | |
| 241 | V | C | 0.0000 | |
| 242 | S | C | -1.4674 | |
| 243 | N | C | 0.0000 | |
| 244 | K | C | -2.5457 | |
| 245 | A | C | -1.4300 | |
| 246 | L | C | -0.8430 | |
| 247 | P | C | -0.6940 | |
| 248 | A | C | -0.4205 | |
| 249 | P | C | -0.8963 | |
| 250 | I | C | -0.5956 | |
| 251 | E | C | -1.5582 | |
| 252 | K | C | -1.0539 | |
| 253 | T | C | -1.0874 | |
| 254 | I | C | 0.0000 | |
| 255 | S | C | -1.3137 | |
| 256 | K | C | -1.2771 | |
| 257 | A | C | -1.3676 | |
| 258 | K | C | -2.3565 | |
| 259 | G | C | -1.9921 | |
| 260 | Q | C | -2.1542 | |
| 261 | P | C | -1.7963 | |
| 262 | R | C | -2.0813 | |
| 263 | E | C | -2.6186 | |
| 264 | P | C | 0.0000 | |
| 265 | Q | C | -1.3350 | |
| 266 | V | C | 0.0000 | |
| 267 | Y | C | 0.0000 | |
| 268 | T | C | -0.7961 | |
| 269 | L | C | 0.0000 | |
| 270 | P | C | -0.3634 | |
| 271 | P | C | -0.6431 | |
| 272 | C | C | -1.2438 | |
| 273 | R | C | -2.4513 | |
| 274 | D | C | -2.2681 | |
| 275 | E | C | 0.0000 | |
| 276 | L | C | -1.0114 | |
| 277 | T | C | -0.8656 | |
| 278 | K | C | -0.8649 | |
| 279 | N | C | -0.3153 | |
| 280 | Q | C | -0.3584 | |
| 281 | V | C | 0.0000 | |
| 282 | S | C | 0.0000 | |
| 283 | L | C | 0.0000 | |
| 284 | W | C | 0.0000 | |
| 285 | C | C | 0.0000 | |
| 286 | L | C | 0.0000 | |
| 287 | V | C | 0.0000 | |
| 288 | K | C | -0.7595 | |
| 289 | G | C | -1.2194 | |
| 290 | F | C | 0.0000 | |
| 291 | Y | C | 0.0000 | |
| 292 | P | C | 0.0000 | |
| 293 | S | C | 0.0000 | |
| 294 | D | C | -0.8600 | |
| 295 | I | C | 0.0000 | |
| 296 | A | C | -0.5917 | |
| 297 | V | C | 0.0000 | |
| 298 | E | C | -1.0655 | |
| 299 | W | C | 0.0000 | |
| 300 | E | C | -1.6479 | |
| 301 | S | C | 0.0000 | |
| 302 | N | C | -1.7917 | |
| 303 | G | C | -1.7321 | |
| 304 | Q | C | -2.2728 | |
| 305 | P | C | -1.8488 | |
| 306 | E | C | -1.6572 | |
| 307 | N | C | -1.7530 | |
| 308 | N | C | 0.0000 | |
| 309 | Y | C | -0.5427 | |
| 310 | K | C | -0.7941 | |
| 311 | T | C | -0.5024 | |
| 312 | T | C | 0.0000 | |
| 313 | P | C | 0.0000 | |
| 314 | P | C | 0.0000 | |
| 315 | V | C | 0.0000 | |
| 316 | L | C | 0.0000 | |
| 317 | D | C | -1.0619 | |
| 318 | S | C | -1.3430 | |
| 319 | D | C | -1.9620 | |
| 320 | G | C | 0.0000 | |
| 321 | S | C | 0.0000 | |
| 322 | F | C | 0.0000 | |
| 323 | F | C | 0.0000 | |
| 324 | L | C | 0.0000 | |
| 325 | Y | C | 0.0000 | |
| 326 | S | C | 0.0000 | |
| 327 | K | C | 0.0000 | |
| 328 | L | C | 0.0000 | |
| 329 | T | C | 0.0000 | |
| 330 | V | C | 0.0000 | |
| 331 | D | C | 0.0000 | |
| 332 | K | C | -0.4259 | |
| 333 | S | C | 0.0000 | |
| 334 | R | C | -0.2773 | |
| 335 | W | C | 0.0000 | |
| 336 | Q | C | -0.6212 | |
| 337 | Q | C | 0.0000 | |
| 338 | G | C | -0.1713 | |
| 339 | N | C | 0.0681 | |
| 340 | V | C | 0.6350 | |
| 341 | F | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | C | C | 0.0000 | |
| 344 | S | C | 0.0000 | |
| 345 | V | C | 0.0000 | |
| 346 | M | C | 0.0000 | |
| 347 | H | C | 0.0000 | |
| 348 | E | C | -1.0665 | |
| 349 | A | C | -1.5236 | |
| 350 | L | C | -1.3816 | |
| 351 | H | C | -1.7188 | |
| 352 | N | C | -1.3948 | |
| 353 | H | C | -0.8763 | |
| 354 | Y | C | -0.2198 | |
| 355 | T | C | -0.5304 | |
| 356 | Q | C | -0.8114 | |
| 357 | K | C | -1.0595 | |
| 358 | S | C | -0.4451 | |
| 359 | L | C | 0.0000 | |
| 360 | S | C | 0.2999 | |
| 361 | L | C | 0.1658 | |
| 362 | S | C | -0.4518 | |
| 363 | P | C | -1.2222 | |
| 364 | G | C | -1.6383 | |
| 365 | K | C | -2.4363 | |
| 366 | G | C | -1.9162 | |
| 367 | G | C | -1.8944 | |
| 368 | G | C | -1.4064 | |
| 369 | G | C | -1.2089 | |
| 370 | S | C | -1.0682 | |
| 371 | G | C | -1.1980 | |
| 372 | G | C | -1.2221 | |
| 373 | G | C | -1.2054 | |
| 374 | G | C | -1.2162 | |
| 375 | S | C | -1.0562 | |
| 376 | G | C | -1.1482 | |
| 377 | G | C | -1.2553 | |
| 378 | G | C | -1.6380 | |
| 379 | G | C | -1.2116 | |
| 380 | S | C | -1.1725 | |
| 381 | D | C | -0.7620 | |
| 382 | V | C | 0.0000 | |
| 383 | V | C | 0.3260 | |
| 384 | L | C | 0.0000 | |
| 385 | S | C | -0.3356 | |
| 386 | P | C | -0.4836 | |
| 387 | S | C | -0.7265 | |
| 388 | H | C | -1.3360 | |
| 389 | G | C | -0.9823 | |
| 390 | I | C | -0.8811 | |
| 391 | E | C | -1.7464 | |
| 392 | L | C | -1.8628 | |
| 393 | S | C | -2.1809 | |
| 394 | V | C | -2.1008 | |
| 395 | G | C | -2.2497 | |
| 396 | E | C | -2.5830 | |
| 397 | K | C | -2.8458 | |
| 398 | L | C | 0.0000 | |
| 399 | V | C | -0.3771 | |
| 400 | L | C | 0.0000 | |
| 401 | N | C | -0.1093 | |
| 402 | C | C | 0.0000 | |
| 403 | T | C | -0.6054 | |
| 404 | A | C | 0.0000 | |
| 405 | R | C | -1.3702 | |
| 406 | T | C | 0.0000 | |
| 407 | E | C | -2.8578 | |
| 408 | L | C | -1.2394 | |
| 409 | N | C | -1.7830 | |
| 410 | V | C | -0.6854 | |
| 411 | G | C | -1.2696 | |
| 412 | I | C | -1.4773 | |
| 413 | D | C | -2.2246 | |
| 414 | F | C | -1.3875 | |
| 415 | N | C | -1.5989 | |
| 416 | W | C | -0.8805 | |
| 417 | E | C | -1.0563 | |
| 418 | Y | C | -0.7390 | |
| 419 | P | C | -0.8869 | |
| 420 | S | C | -1.4078 | |
| 421 | S | C | -1.5933 | |
| 422 | K | C | -2.4017 | |
| 423 | H | C | -2.0792 | |
| 424 | Q | C | -2.7635 | |
| 425 | H | C | -2.7868 | |
| 426 | K | C | -2.3193 | |
| 427 | K | C | -1.8999 | |
| 428 | L | C | -0.0308 | |
| 429 | V | C | -0.2406 | |
| 430 | N | C | -2.2148 | |
| 431 | R | C | -3.2319 | |
| 432 | D | C | -3.5434 | |
| 433 | L | C | -2.4877 | |
| 434 | K | C | -2.9231 | |
| 435 | T | C | -2.4605 | |
| 436 | Q | C | -2.1474 | |
| 437 | S | C | -1.5668 | |
| 438 | G | C | -1.4201 | |
| 439 | S | C | -2.3107 | |
| 440 | E | C | -3.1592 | |
| 441 | M | C | 0.0000 | |
| 442 | K | C | -3.3604 | |
| 443 | K | C | -2.7781 | |
| 444 | F | C | 0.0000 | |
| 445 | L | C | -1.3442 | |
| 446 | S | C | 0.0000 | |
| 447 | T | C | -0.3163 | |
| 448 | L | C | 0.0000 | |
| 449 | T | C | -1.0835 | |
| 450 | I | C | 0.0000 | |
| 451 | D | C | -3.4574 | |
| 452 | G | C | -2.3452 | |
| 453 | V | C | 0.0000 | |
| 454 | T | C | -1.5333 | |
| 455 | R | C | -1.6132 | |
| 456 | S | C | -0.9779 | |
| 457 | D | C | 0.0000 | |
| 458 | Q | C | -0.8479 | |
| 459 | G | C | -0.5052 | |
| 460 | L | C | 0.0000 | |
| 461 | Y | C | 0.0000 | |
| 462 | T | C | 0.0000 | |
| 463 | C | C | 0.0000 | |
| 464 | A | C | -0.8454 | |
| 465 | A | C | 0.0000 | |
| 466 | S | C | -0.7313 | |
| 467 | S | C | -0.1264 | |
| 468 | G | C | -0.0918 | |
| 469 | L | C | 1.1355 | |
| 470 | M | C | 0.5570 | |
| 471 | T | C | -0.2491 | |
| 472 | K | C | 0.0000 | |
| 473 | K | C | -0.4255 | |
| 474 | N | C | -0.1737 | |
| 475 | S | C | 0.0000 | |
| 476 | T | C | 0.0000 | |
| 477 | F | C | 0.0000 | |
| 478 | V | C | 0.0000 | |
| 479 | R | C | -1.2814 | |
| 480 | V | C | 0.0000 | |
| 481 | H | C | -2.3726 | |
| 482 | E | C | -3.0128 | |
| 483 | K | C | -2.6586 |
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 | -0.6822 | 4.7242 | View | CSV | PDB |
| 4.5 | -0.7275 | 4.7242 | View | CSV | PDB |
| 5.0 | -0.7809 | 4.7242 | View | CSV | PDB |
| 5.5 | -0.8299 | 4.7242 | View | CSV | PDB |
| 6.0 | -0.8608 | 4.7242 | View | CSV | PDB |
| 6.5 | -0.8647 | 4.7242 | View | CSV | PDB |
| 7.0 | -0.8435 | 4.7242 | View | CSV | PDB |
| 7.5 | -0.8071 | 4.7242 | View | CSV | PDB |
| 8.0 | -0.763 | 4.7242 | View | CSV | PDB |
| 8.5 | -0.7137 | 4.7242 | View | CSV | PDB |
| 9.0 | -0.6595 | 4.7242 | 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