| Chain sequence(s) | ADGVGNSSGNWHCDSQWLGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKKLSFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFQFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQGTTSGTTNQSRLLFSQAGPQSMSLQARNWLPGPCYRQQRLSKTANDNNNSNFPWTAASKYHLNGRDSLVNPGPAMASHKDDEEKFFPMHGNLIFGKEGTTASNAELDNVMITDEEEIRTTNPVATEQYGTVANNLQSSNTAPTTRTVNDQGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQIMIKNTPVPANPPTTFSPAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNLADGVGNSSGNWHCDSQWLGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKKLSFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFQFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQGTTSGTTNQSRLLFSQAGPQSMSLQARNWLPGPCYRQQRLSKTANDNNNSNFPWTAASKYHLNGRDSLVNPGPAMASHKDDEEKFFPMHGNLIFGKEGTTASNAELDNVMITDEEEIRTTNPVATEQYGTVANNLQSSNTAPTTRTVNDQGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQIMIKNTPVPANPPTTFSPAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNLADGVGNSSGNWHCDSQWLGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKKLSFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFQFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQGTTSGTTNQSRLLFSQAGPQSMSLQARNWLPGPCYRQQRLSKTANDNNNSNFPWTAASKYHLNGRDSLVNPGPAMASHKDDEEKFFPMHGNLIFGKEGTTASNAELDNVMITDEEEIRTTNPVATEQYGTVANNLQSSNTAPTTRTVNDQGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQIMIKNTPVPANPPTTFSPAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b99ab891de5939/tmp/folded.pdb (00:13:36)
[INFO] Main: Simulation completed successfully. (00:41:28)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 16 | A | A | -1.2873 | |
| 17 | D | A | -2.2663 | |
| 18 | G | A | -1.0647 | |
| 19 | V | A | 0.2338 | |
| 20 | G | A | -0.7759 | |
| 21 | N | A | -1.8430 | |
| 22 | S | A | -1.5611 | |
| 23 | S | A | 0.0000 | |
| 24 | G | A | -1.3631 | |
| 25 | N | A | -1.0704 | |
| 26 | W | A | -0.0181 | |
| 27 | H | A | -0.5873 | |
| 28 | C | A | -0.4571 | |
| 29 | D | A | -1.0719 | |
| 30 | S | A | -0.6839 | |
| 31 | Q | A | -0.6038 | |
| 32 | W | A | -0.3554 | |
| 33 | L | A | 0.0214 | |
| 34 | G | A | -1.3170 | |
| 35 | D | A | -2.5300 | |
| 36 | R | A | -1.8542 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.4311 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.6089 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6780 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0701 | |
| 49 | T | A | -0.3110 | |
| 50 | Y | A | -0.3387 | |
| 51 | N | A | -1.0365 | |
| 52 | N | A | -1.2728 | |
| 53 | H | A | -0.6140 | |
| 54 | L | A | -0.4428 | |
| 55 | Y | A | -0.6136 | |
| 56 | K | A | -1.6540 | |
| 57 | Q | A | -1.5148 | |
| 58 | I | A | -0.7554 | |
| 59 | S | A | -0.8790 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.4764 | |
| 62 | S | A | -1.0040 | |
| 63 | G | A | -1.0835 | |
| 64 | A | A | -1.3525 | |
| 65 | S | A | -1.3724 | |
| 66 | N | A | -1.8108 | |
| 67 | D | A | -1.1726 | |
| 68 | N | A | -1.3544 | |
| 69 | H | A | -1.5275 | |
| 70 | Y | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | -0.4918 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | W | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | 0.0000 | |
| 84 | R | A | -0.2212 | |
| 85 | F | A | 0.0000 | |
| 86 | H | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | S | A | -0.9159 | |
| 91 | P | A | -1.3981 | |
| 92 | R | A | -2.4860 | |
| 93 | D | A | -1.9445 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.0574 | |
| 96 | R | A | -2.3057 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | N | A | -1.9868 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -1.0312 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.7582 | |
| 108 | K | A | -1.7354 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | -0.9326 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.3575 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.1601 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -0.8953 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.4253 | |
| 120 | E | A | 0.0364 | |
| 121 | V | A | 0.1644 | |
| 122 | T | A | -0.7539 | |
| 123 | Q | A | -2.1900 | |
| 124 | N | A | -2.8941 | |
| 125 | D | A | -2.9422 | |
| 126 | G | A | -2.1084 | |
| 127 | T | A | -1.6971 | |
| 128 | T | A | -0.8687 | |
| 129 | T | A | 0.0298 | |
| 130 | I | A | 0.9879 | |
| 131 | A | A | 0.0635 | |
| 132 | N | A | -1.0298 | |
| 133 | N | A | -0.5433 | |
| 134 | L | A | 0.2931 | |
| 135 | T | A | -0.0674 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | -0.4408 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4889 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.4733 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.2353 | |
| 145 | E | A | -2.2538 | |
| 146 | Y | A | 0.0000 | |
| 147 | Q | A | -1.1395 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.0000 | |
| 150 | Y | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.0766 | |
| 154 | S | A | -0.1136 | |
| 155 | A | A | 0.0000 | |
| 156 | H | A | 0.0000 | |
| 157 | Q | A | -0.5992 | |
| 158 | G | A | -0.1541 | |
| 159 | C | A | -0.0360 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | P | A | 0.2193 | |
| 163 | F | A | 1.0945 | |
| 164 | P | A | 0.4440 | |
| 165 | A | A | 0.3516 | |
| 166 | D | A | 0.5697 | |
| 167 | V | A | 1.7504 | |
| 168 | F | A | 0.0000 | |
| 169 | M | A | 1.3253 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | 0.0000 | |
| 172 | Q | A | 0.1132 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | N | A | 0.0000 | |
| 180 | N | A | -1.4159 | |
| 181 | G | A | -1.2857 | |
| 182 | S | A | -1.3760 | |
| 183 | Q | A | -1.3444 | |
| 184 | A | A | -0.6564 | |
| 185 | V | A | -0.2021 | |
| 186 | G | A | -0.2964 | |
| 187 | R | A | -0.2235 | |
| 188 | S | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | F | A | 0.2302 | |
| 191 | Y | A | 0.0000 | |
| 192 | C | A | 0.3330 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.5698 | |
| 195 | Y | A | 0.7726 | |
| 196 | F | A | 0.0000 | |
| 197 | P | A | -0.3786 | |
| 198 | S | A | -0.5935 | |
| 199 | Q | A | -1.1259 | |
| 200 | M | A | -0.1584 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.3845 | |
| 203 | T | A | -1.1841 | |
| 204 | G | A | 0.0000 | |
| 205 | N | A | -1.6760 | |
| 206 | N | A | -2.0254 | |
| 207 | F | A | 0.0000 | |
| 208 | Q | A | -1.5671 | |
| 209 | F | A | -0.5358 | |
| 210 | S | A | -0.6827 | |
| 211 | Y | A | -0.4375 | |
| 212 | T | A | -1.1348 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -1.9655 | |
| 215 | D | A | -2.1219 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.6207 | |
| 218 | F | A | -0.2355 | |
| 219 | H | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | -0.0875 | |
| 223 | A | A | 0.0000 | |
| 224 | H | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | Q | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | R | A | 0.0000 | |
| 231 | L | A | 0.2181 | |
| 232 | M | A | 0.0000 | |
| 233 | N | A | 0.0000 | |
| 234 | P | A | 0.0000 | |
| 235 | L | A | 0.4318 | |
| 236 | I | A | -0.0571 | |
| 237 | D | A | -0.8711 | |
| 238 | Q | A | 0.0000 | |
| 239 | Y | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | Y | A | 0.0000 | |
| 242 | Y | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | N | A | -0.9665 | |
| 245 | R | A | -1.3631 | |
| 246 | T | A | 0.0000 | |
| 247 | Q | A | -1.6370 | |
| 248 | G | A | 0.0000 | |
| 249 | T | A | -0.8457 | |
| 250 | T | A | -0.6437 | |
| 251 | S | A | -0.6994 | |
| 252 | G | A | -0.7959 | |
| 253 | T | A | -0.6773 | |
| 254 | T | A | -0.8974 | |
| 255 | N | A | -1.7918 | |
| 256 | Q | A | -1.8125 | |
| 257 | S | A | -1.8876 | |
| 258 | R | A | -1.5139 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | Q | A | -0.5605 | |
| 264 | A | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.7606 | |
| 267 | Q | A | -1.5089 | |
| 268 | S | A | -0.7826 | |
| 269 | M | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | L | A | -0.0541 | |
| 272 | Q | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | R | A | 0.0000 | |
| 275 | N | A | 0.0000 | |
| 276 | W | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | P | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.0000 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | 0.0000 | |
| 283 | R | A | 0.0000 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | 0.0000 | |
| 286 | R | A | -0.0868 | |
| 287 | L | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.9940 | |
| 290 | T | A | -1.3598 | |
| 291 | A | A | -1.6204 | |
| 292 | N | A | -2.2298 | |
| 293 | D | A | -1.9848 | |
| 294 | N | A | 0.0000 | |
| 295 | N | A | -1.8503 | |
| 296 | N | A | -2.5337 | |
| 297 | S | A | -1.6096 | |
| 298 | N | A | -1.6664 | |
| 299 | F | A | 0.0000 | |
| 300 | P | A | -0.3680 | |
| 301 | W | A | 0.0445 | |
| 302 | T | A | -0.0429 | |
| 303 | A | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | S | A | 0.0000 | |
| 306 | K | A | 0.0000 | |
| 307 | Y | A | 0.0000 | |
| 308 | H | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | N | A | 0.0000 | |
| 311 | G | A | -0.6050 | |
| 312 | R | A | 0.0000 | |
| 313 | D | A | -0.5352 | |
| 314 | S | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | 0.0000 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | P | A | 0.0000 | |
| 321 | A | A | -0.0797 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -1.5838 | |
| 327 | D | A | -2.0876 | |
| 328 | D | A | -2.9867 | |
| 329 | E | A | -2.6586 | |
| 330 | E | A | -3.4023 | |
| 331 | K | A | -2.6892 | |
| 332 | F | A | -1.7580 | |
| 333 | F | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | H | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | N | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | I | A | 0.0000 | |
| 341 | F | A | 0.0000 | |
| 342 | G | A | -1.3991 | |
| 343 | K | A | -2.3631 | |
| 344 | E | A | -2.0946 | |
| 345 | G | A | -1.3691 | |
| 346 | T | A | -1.5202 | |
| 347 | T | A | -0.8355 | |
| 348 | A | A | -0.4665 | |
| 349 | S | A | -0.6600 | |
| 350 | N | A | -1.0557 | |
| 351 | A | A | 0.0000 | |
| 352 | E | A | -1.4990 | |
| 353 | L | A | -1.3599 | |
| 354 | D | A | -2.3057 | |
| 355 | N | A | -2.0728 | |
| 356 | V | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | -0.3099 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.0142 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -1.0916 | |
| 363 | E | A | -0.5327 | |
| 364 | I | A | 0.0000 | |
| 365 | R | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | E | A | 0.0000 | |
| 374 | Q | A | -0.4255 | |
| 375 | Y | A | 0.0000 | |
| 376 | G | A | 0.0000 | |
| 377 | T | A | -0.2898 | |
| 378 | V | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | N | A | -0.6962 | |
| 381 | N | A | -0.4133 | |
| 382 | L | A | 0.1638 | |
| 383 | Q | A | 0.0000 | |
| 384 | S | A | -1.1075 | |
| 385 | S | A | -1.7188 | |
| 386 | N | A | -1.6857 | |
| 387 | T | A | -0.8468 | |
| 388 | A | A | -0.5381 | |
| 389 | P | A | -0.3141 | |
| 390 | T | A | -0.2844 | |
| 391 | T | A | -0.4648 | |
| 392 | R | A | -0.5684 | |
| 393 | T | A | -0.4427 | |
| 394 | V | A | 0.0000 | |
| 395 | N | A | 0.0000 | |
| 396 | D | A | -0.4693 | |
| 397 | Q | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | A | A | 0.0000 | |
| 400 | L | A | 0.0000 | |
| 401 | P | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | M | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | W | A | 0.0000 | |
| 406 | Q | A | 0.0000 | |
| 407 | D | A | -0.4433 | |
| 408 | R | A | 0.0000 | |
| 409 | D | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | Q | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | K | A | 0.0000 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | 0.0000 | |
| 422 | H | A | -0.7625 | |
| 423 | T | A | -0.5574 | |
| 424 | D | A | -0.7585 | |
| 425 | G | A | 0.0000 | |
| 426 | H | A | -0.7809 | |
| 427 | F | A | 0.0000 | |
| 428 | H | A | -0.5243 | |
| 429 | P | A | -0.4854 | |
| 430 | S | A | -0.3012 | |
| 431 | P | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | M | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.1657 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.6395 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -1.9889 | |
| 440 | H | A | -2.0376 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | Q | A | 0.0000 | |
| 445 | I | A | 0.0000 | |
| 446 | M | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | 0.0000 | |
| 449 | N | A | 0.0000 | |
| 450 | T | A | 0.1328 | |
| 451 | P | A | 0.0457 | |
| 452 | V | A | 0.3115 | |
| 453 | P | A | 0.0464 | |
| 454 | A | A | -0.3057 | |
| 455 | N | A | -1.3492 | |
| 456 | P | A | -0.6477 | |
| 457 | P | A | -0.3413 | |
| 458 | T | A | -0.0100 | |
| 459 | T | A | 0.6741 | |
| 460 | F | A | 1.6636 | |
| 461 | S | A | 0.3786 | |
| 462 | P | A | -0.1753 | |
| 463 | A | A | -0.4950 | |
| 464 | K | A | -1.3890 | |
| 465 | F | A | -0.0991 | |
| 466 | A | A | -0.1765 | |
| 467 | S | A | -0.2694 | |
| 468 | F | A | 0.2947 | |
| 469 | I | A | 0.5950 | |
| 470 | T | A | 0.1644 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3615 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0578 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3375 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.6241 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.0761 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.1367 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.6297 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -2.1754 | |
| 487 | K | A | -2.7244 | |
| 488 | E | A | -2.3291 | |
| 489 | N | A | -2.2341 | |
| 490 | S | A | -0.9722 | |
| 491 | K | A | -0.1346 | |
| 492 | R | A | 0.0000 | |
| 493 | W | A | 1.1293 | |
| 494 | N | A | 0.0957 | |
| 495 | P | A | -0.2867 | |
| 496 | E | A | -0.2665 | |
| 497 | I | A | 0.1455 | |
| 498 | Q | A | -0.4490 | |
| 499 | Y | A | -0.4461 | |
| 500 | T | A | -0.3958 | |
| 501 | S | A | -0.8643 | |
| 502 | N | A | -1.3116 | |
| 503 | Y | A | -0.3876 | |
| 504 | N | A | -1.7520 | |
| 505 | K | A | -1.8123 | |
| 506 | S | A | -0.4392 | |
| 507 | V | A | 1.1014 | |
| 508 | N | A | 0.3563 | |
| 509 | V | A | 0.8734 | |
| 510 | D | A | -0.1388 | |
| 511 | F | A | 0.0305 | |
| 512 | T | A | 0.7699 | |
| 513 | V | A | 0.8916 | |
| 514 | D | A | -0.1247 | |
| 515 | T | A | -0.6279 | |
| 516 | N | A | -1.1802 | |
| 517 | G | A | -0.4482 | |
| 518 | V | A | 0.4455 | |
| 519 | Y | A | 0.5029 | |
| 520 | S | A | -0.3721 | |
| 521 | E | A | -0.9046 | |
| 522 | P | A | -0.9748 | |
| 523 | R | A | -1.1173 | |
| 524 | P | A | -0.6483 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2215 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.1341 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | -0.5308 | |
| 533 | N | A | 0.0000 | |
| 534 | L | A | 0.0000 | |
| 16 | A | B | -1.2555 | |
| 17 | D | B | -2.2346 | |
| 18 | G | B | -1.0560 | |
| 19 | V | B | 0.2659 | |
| 20 | G | B | -0.7589 | |
| 21 | N | B | -1.8301 | |
| 22 | S | B | -1.5269 | |
| 23 | S | B | 0.0000 | |
| 24 | G | B | -1.2910 | |
| 25 | N | B | -1.0614 | |
| 26 | W | B | -0.0132 | |
| 27 | H | B | -0.5612 | |
| 28 | C | B | -0.4242 | |
| 29 | D | B | -1.0612 | |
| 30 | S | B | -0.7517 | |
| 31 | Q | B | -0.7967 | |
| 32 | W | B | -0.6936 | |
| 33 | L | B | -0.5522 | |
| 34 | G | B | -1.6318 | |
| 35 | D | B | -2.7944 | |
| 36 | R | B | -2.3047 | |
| 37 | V | B | 0.0000 | |
| 38 | I | B | -0.6107 | |
| 39 | T | B | 0.0000 | |
| 40 | T | B | 0.0000 | |
| 41 | S | B | 0.0000 | |
| 42 | T | B | 0.0000 | |
| 43 | R | B | 0.0000 | |
| 44 | T | B | 0.6202 | |
| 45 | W | B | 0.0000 | |
| 46 | A | B | 0.7023 | |
| 47 | L | B | 0.0000 | |
| 48 | P | B | 0.1076 | |
| 49 | T | B | -0.2333 | |
| 50 | Y | B | -0.1929 | |
| 51 | N | B | -0.6508 | |
| 52 | N | B | -1.0931 | |
| 53 | H | B | -0.3457 | |
| 54 | L | B | 0.0630 | |
| 55 | Y | B | -0.1615 | |
| 56 | K | B | -1.0273 | |
| 57 | Q | B | -1.2277 | |
| 58 | I | B | -0.6140 | |
| 59 | S | B | -0.7984 | |
| 60 | S | B | 0.0000 | |
| 61 | Q | B | -1.3380 | |
| 62 | S | B | -0.9346 | |
| 63 | G | B | -1.0448 | |
| 64 | A | B | -1.3075 | |
| 65 | S | B | -1.3488 | |
| 66 | N | B | -1.8106 | |
| 67 | D | B | -1.1770 | |
| 68 | N | B | -1.3399 | |
| 69 | H | B | -1.5034 | |
| 70 | Y | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | Y | B | -0.3255 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | 0.0000 | |
| 76 | P | B | 0.0000 | |
| 77 | W | B | 0.0000 | |
| 78 | G | B | 0.0000 | |
| 79 | Y | B | 0.0000 | |
| 80 | F | B | 0.0000 | |
| 81 | D | B | 0.0000 | |
| 82 | F | B | 0.0000 | |
| 83 | N | B | 0.0000 | |
| 84 | R | B | -0.2214 | |
| 85 | F | B | 0.0000 | |
| 86 | H | B | 0.0000 | |
| 87 | C | B | 0.0000 | |
| 88 | H | B | 0.0000 | |
| 89 | F | B | 0.0000 | |
| 90 | S | B | -0.9689 | |
| 91 | P | B | -1.4618 | |
| 92 | R | B | -2.5440 | |
| 93 | D | B | -2.0342 | |
| 94 | W | B | 0.0000 | |
| 95 | Q | B | -2.1904 | |
| 96 | R | B | -2.5589 | |
| 97 | L | B | 0.0000 | |
| 98 | I | B | 0.0000 | |
| 99 | N | B | -1.3040 | |
| 100 | N | B | -2.1147 | |
| 101 | N | B | 0.0000 | |
| 102 | W | B | -0.9451 | |
| 103 | G | B | 0.0000 | |
| 104 | F | B | 0.0000 | |
| 105 | R | B | -1.0305 | |
| 106 | P | B | 0.0000 | |
| 107 | K | B | -1.8373 | |
| 108 | K | B | -1.7427 | |
| 109 | L | B | 0.0000 | |
| 110 | S | B | -0.8843 | |
| 111 | F | B | 0.0000 | |
| 112 | K | B | -1.1213 | |
| 113 | L | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | N | B | -1.1203 | |
| 116 | I | B | 0.0000 | |
| 117 | Q | B | -0.8868 | |
| 118 | V | B | 0.0000 | |
| 119 | K | B | -0.3834 | |
| 120 | E | B | 0.0824 | |
| 121 | V | B | 0.1870 | |
| 122 | T | B | -0.7404 | |
| 123 | Q | B | -2.1834 | |
| 124 | N | B | -2.8973 | |
| 125 | D | B | -2.9439 | |
| 126 | G | B | -2.1098 | |
| 127 | T | B | -1.7025 | |
| 128 | T | B | -0.8563 | |
| 129 | T | B | 0.0697 | |
| 130 | I | B | 1.0789 | |
| 131 | A | B | 0.1110 | |
| 132 | N | B | -1.0038 | |
| 133 | N | B | -0.5334 | |
| 134 | L | B | 0.2895 | |
| 135 | T | B | -0.0776 | |
| 136 | S | B | 0.0000 | |
| 137 | T | B | 0.0000 | |
| 138 | V | B | 0.0000 | |
| 139 | Q | B | -0.5154 | |
| 140 | V | B | 0.0000 | |
| 141 | F | B | 0.0000 | |
| 142 | T | B | -0.4743 | |
| 143 | D | B | 0.0000 | |
| 144 | S | B | -1.2141 | |
| 145 | E | B | -2.1884 | |
| 146 | Y | B | 0.0000 | |
| 147 | Q | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | P | B | 0.0000 | |
| 150 | Y | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | L | B | 0.0000 | |
| 153 | G | B | -0.0774 | |
| 154 | S | B | -0.1098 | |
| 155 | A | B | 0.0000 | |
| 156 | H | B | 0.0000 | |
| 157 | Q | B | -0.5985 | |
| 158 | G | B | -0.1420 | |
| 159 | C | B | -0.0291 | |
| 160 | L | B | 0.0000 | |
| 161 | P | B | 0.0000 | |
| 162 | P | B | 0.2497 | |
| 163 | F | B | 1.1656 | |
| 164 | P | B | 0.4929 | |
| 165 | A | B | 0.3856 | |
| 166 | D | B | 0.6132 | |
| 167 | V | B | 1.7805 | |
| 168 | F | B | 0.0000 | |
| 169 | M | B | 1.3805 | |
| 170 | V | B | 0.0000 | |
| 171 | P | B | 0.0000 | |
| 172 | Q | B | 0.1441 | |
| 173 | Y | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | Y | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | L | B | 0.0000 | |
| 179 | N | B | 0.0000 | |
| 180 | N | B | -1.4412 | |
| 181 | G | B | -1.2957 | |
| 182 | S | B | -1.3508 | |
| 183 | Q | B | -1.3584 | |
| 184 | A | B | -0.6866 | |
| 185 | V | B | -0.2676 | |
| 186 | G | B | -0.2830 | |
| 187 | R | B | -0.2414 | |
| 188 | S | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | F | B | 0.3858 | |
| 191 | Y | B | 0.0000 | |
| 192 | C | B | 0.3808 | |
| 193 | L | B | 0.0000 | |
| 194 | E | B | -0.7531 | |
| 195 | Y | B | 0.7650 | |
| 196 | F | B | 0.0000 | |
| 197 | P | B | -0.4129 | |
| 198 | S | B | -0.6202 | |
| 199 | Q | B | -1.0580 | |
| 200 | M | B | -0.0731 | |
| 201 | L | B | 0.0000 | |
| 202 | R | B | -1.4057 | |
| 203 | T | B | -1.1742 | |
| 204 | G | B | 0.0000 | |
| 205 | N | B | -1.5588 | |
| 206 | N | B | -1.7286 | |
| 207 | F | B | -0.9634 | |
| 208 | Q | B | -1.3738 | |
| 209 | F | B | -0.4606 | |
| 210 | S | B | -0.6537 | |
| 211 | Y | B | -0.4373 | |
| 212 | T | B | -1.1440 | |
| 213 | F | B | 0.0000 | |
| 214 | E | B | -1.9975 | |
| 215 | D | B | -2.1429 | |
| 216 | V | B | 0.0000 | |
| 217 | P | B | -0.6305 | |
| 218 | F | B | -0.2471 | |
| 219 | H | B | 0.0000 | |
| 220 | S | B | 0.0000 | |
| 221 | S | B | 0.0000 | |
| 222 | Y | B | -0.0676 | |
| 223 | A | B | 0.0000 | |
| 224 | H | B | 0.0000 | |
| 225 | S | B | 0.0000 | |
| 226 | Q | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | D | B | 0.0000 | |
| 230 | R | B | 0.0000 | |
| 231 | L | B | 0.2098 | |
| 232 | M | B | 0.0000 | |
| 233 | N | B | 0.0000 | |
| 234 | P | B | 0.0000 | |
| 235 | L | B | 0.4488 | |
| 236 | I | B | -0.0366 | |
| 237 | D | B | -0.8325 | |
| 238 | Q | B | 0.0000 | |
| 239 | Y | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | Y | B | 0.0000 | |
| 242 | Y | B | 0.0000 | |
| 243 | L | B | 0.0000 | |
| 244 | N | B | -0.9033 | |
| 245 | R | B | -1.3966 | |
| 246 | T | B | 0.0000 | |
| 247 | Q | B | -1.7828 | |
| 248 | G | B | 0.0000 | |
| 249 | T | B | -0.9273 | |
| 250 | T | B | -0.7173 | |
| 251 | S | B | -0.6964 | |
| 252 | G | B | -0.7992 | |
| 253 | T | B | -0.6778 | |
| 254 | T | B | -0.8955 | |
| 255 | N | B | -1.8555 | |
| 256 | Q | B | -1.9263 | |
| 257 | S | B | -2.1148 | |
| 258 | R | B | -1.9057 | |
| 259 | L | B | 0.0000 | |
| 260 | L | B | -1.0722 | |
| 261 | F | B | 0.0000 | |
| 262 | S | B | 0.0000 | |
| 263 | Q | B | -0.5200 | |
| 264 | A | B | 0.0000 | |
| 265 | G | B | 0.0000 | |
| 266 | P | B | -0.7967 | |
| 267 | Q | B | -1.5549 | |
| 268 | S | B | 0.0000 | |
| 269 | M | B | 0.0000 | |
| 270 | S | B | 0.0000 | |
| 271 | L | B | -0.0567 | |
| 272 | Q | B | 0.0000 | |
| 273 | A | B | 0.0000 | |
| 274 | R | B | 0.0000 | |
| 275 | N | B | 0.0000 | |
| 276 | W | B | 0.0000 | |
| 277 | L | B | 0.0000 | |
| 278 | P | B | 0.0000 | |
| 279 | G | B | 0.0000 | |
| 280 | P | B | 0.0000 | |
| 281 | C | B | 0.0000 | |
| 282 | Y | B | 0.0000 | |
| 283 | R | B | 0.0000 | |
| 284 | Q | B | 0.0000 | |
| 285 | Q | B | 0.0000 | |
| 286 | R | B | -0.0832 | |
| 287 | L | B | 0.0000 | |
| 288 | S | B | 0.0000 | |
| 289 | K | B | -1.8128 | |
| 290 | T | B | -1.2082 | |
| 291 | A | B | -1.3966 | |
| 292 | N | B | -2.0865 | |
| 293 | D | B | -1.8737 | |
| 294 | N | B | 0.0000 | |
| 295 | N | B | -1.7952 | |
| 296 | N | B | -2.4614 | |
| 297 | S | B | -1.5690 | |
| 298 | N | B | -1.6336 | |
| 299 | F | B | 0.0000 | |
| 300 | P | B | -0.3914 | |
| 301 | W | B | 0.0324 | |
| 302 | T | B | -0.0503 | |
| 303 | A | B | 0.0000 | |
| 304 | A | B | 0.0000 | |
| 305 | S | B | 0.0000 | |
| 306 | K | B | 0.0000 | |
| 307 | Y | B | 0.0000 | |
| 308 | H | B | 0.0000 | |
| 309 | L | B | 0.0000 | |
| 310 | N | B | 0.0000 | |
| 311 | G | B | -0.6080 | |
| 312 | R | B | 0.0000 | |
| 313 | D | B | -0.5537 | |
| 314 | S | B | 0.0000 | |
| 315 | L | B | 0.0000 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | 0.0000 | |
| 318 | P | B | 0.0000 | |
| 319 | G | B | 0.0000 | |
| 320 | P | B | 0.0000 | |
| 321 | A | B | -0.0779 | |
| 322 | M | B | 0.0000 | |
| 323 | A | B | 0.0000 | |
| 324 | S | B | 0.0000 | |
| 325 | H | B | 0.0000 | |
| 326 | K | B | -1.5481 | |
| 327 | D | B | -2.0202 | |
| 328 | D | B | -2.9682 | |
| 329 | E | B | -2.7000 | |
| 330 | E | B | -3.4101 | |
| 331 | K | B | -2.6741 | |
| 332 | F | B | -1.7392 | |
| 333 | F | B | 0.0000 | |
| 334 | P | B | 0.0000 | |
| 335 | M | B | 0.0000 | |
| 336 | H | B | 0.0000 | |
| 337 | G | B | 0.0000 | |
| 338 | N | B | 0.0000 | |
| 339 | L | B | 0.0000 | |
| 340 | I | B | 0.0000 | |
| 341 | F | B | 0.0000 | |
| 342 | G | B | -1.3742 | |
| 343 | K | B | -2.3250 | |
| 344 | E | B | -2.0238 | |
| 345 | G | B | -1.3384 | |
| 346 | T | B | -1.5732 | |
| 347 | T | B | -0.9048 | |
| 348 | A | B | -0.4830 | |
| 349 | S | B | -0.7542 | |
| 350 | N | B | -1.2500 | |
| 351 | A | B | 0.0000 | |
| 352 | E | B | -1.8720 | |
| 353 | L | B | -1.4883 | |
| 354 | D | B | -2.4454 | |
| 355 | N | B | -2.2499 | |
| 356 | V | B | 0.0000 | |
| 357 | M | B | 0.0000 | |
| 358 | I | B | -0.2850 | |
| 359 | T | B | 0.0000 | |
| 360 | D | B | -1.0885 | |
| 361 | E | B | 0.0000 | |
| 362 | E | B | -1.0832 | |
| 363 | E | B | -0.5652 | |
| 364 | I | B | 0.0000 | |
| 365 | R | B | -0.4972 | |
| 366 | T | B | 0.0000 | |
| 367 | T | B | 0.0000 | |
| 368 | N | B | 0.0000 | |
| 369 | P | B | 0.0000 | |
| 370 | V | B | 0.0000 | |
| 371 | A | B | 0.0000 | |
| 372 | T | B | 0.0000 | |
| 373 | E | B | 0.0000 | |
| 374 | Q | B | -0.3721 | |
| 375 | Y | B | 0.0000 | |
| 376 | G | B | 0.0000 | |
| 377 | T | B | -0.4033 | |
| 378 | V | B | 0.0000 | |
| 379 | A | B | 0.0000 | |
| 380 | N | B | -0.7587 | |
| 381 | N | B | -0.4317 | |
| 382 | L | B | 0.1587 | |
| 383 | Q | B | 0.0000 | |
| 384 | S | B | -1.1141 | |
| 385 | S | B | -1.7183 | |
| 386 | N | B | -1.6858 | |
| 387 | T | B | -0.8494 | |
| 388 | A | B | -0.5403 | |
| 389 | P | B | -0.3092 | |
| 390 | T | B | -0.3370 | |
| 391 | T | B | -0.5919 | |
| 392 | R | B | -0.8791 | |
| 393 | T | B | -0.5504 | |
| 394 | V | B | 0.0000 | |
| 395 | N | B | 0.0000 | |
| 396 | D | B | 0.0000 | |
| 397 | Q | B | 0.0000 | |
| 398 | G | B | 0.0000 | |
| 399 | A | B | 0.0000 | |
| 400 | L | B | 0.0000 | |
| 401 | P | B | 0.0000 | |
| 402 | G | B | 0.0000 | |
| 403 | M | B | 0.0000 | |
| 404 | V | B | 0.0000 | |
| 405 | W | B | 0.0000 | |
| 406 | Q | B | 0.0000 | |
| 407 | D | B | -0.4383 | |
| 408 | R | B | 0.0000 | |
| 409 | D | B | 0.0000 | |
| 410 | V | B | 0.0000 | |
| 411 | Y | B | 0.0000 | |
| 412 | L | B | 0.0000 | |
| 413 | Q | B | 0.0000 | |
| 414 | G | B | 0.0000 | |
| 415 | P | B | 0.0000 | |
| 416 | I | B | 0.0000 | |
| 417 | W | B | 0.0000 | |
| 418 | A | B | 0.0000 | |
| 419 | K | B | 0.0000 | |
| 420 | I | B | 0.0000 | |
| 421 | P | B | 0.0000 | |
| 422 | H | B | -0.7227 | |
| 423 | T | B | -0.5263 | |
| 424 | D | B | -0.7230 | |
| 425 | G | B | 0.0000 | |
| 426 | H | B | -0.7270 | |
| 427 | F | B | 0.0000 | |
| 428 | H | B | -0.5021 | |
| 429 | P | B | -0.4679 | |
| 430 | S | B | -0.2976 | |
| 431 | P | B | 0.0000 | |
| 432 | L | B | 0.0000 | |
| 433 | M | B | 0.0000 | |
| 434 | G | B | 0.0000 | |
| 435 | G | B | -0.1613 | |
| 436 | F | B | 0.0000 | |
| 437 | G | B | -0.6372 | |
| 438 | L | B | 0.0000 | |
| 439 | K | B | -1.9630 | |
| 440 | H | B | -2.0210 | |
| 441 | P | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | P | B | 0.0000 | |
| 444 | Q | B | 0.0000 | |
| 445 | I | B | 0.0000 | |
| 446 | M | B | 0.0000 | |
| 447 | I | B | 0.0000 | |
| 448 | K | B | 0.0000 | |
| 449 | N | B | 0.0000 | |
| 450 | T | B | 0.1748 | |
| 451 | P | B | 0.1137 | |
| 452 | V | B | 0.4561 | |
| 453 | P | B | 0.1332 | |
| 454 | A | B | -0.2763 | |
| 455 | N | B | -1.3441 | |
| 456 | P | B | -0.6588 | |
| 457 | P | B | -0.3502 | |
| 458 | T | B | -0.0132 | |
| 459 | T | B | 0.6711 | |
| 460 | F | B | 1.6593 | |
| 461 | S | B | 0.3755 | |
| 462 | P | B | -0.1735 | |
| 463 | A | B | -0.4904 | |
| 464 | K | B | -1.3770 | |
| 465 | F | B | -0.0572 | |
| 466 | A | B | -0.1287 | |
| 467 | S | B | -0.2493 | |
| 468 | F | B | 0.3272 | |
| 469 | I | B | 0.5979 | |
| 470 | T | B | 0.1787 | |
| 471 | Q | B | 0.0000 | |
| 472 | Y | B | 0.3812 | |
| 473 | S | B | 0.0000 | |
| 474 | T | B | 0.0724 | |
| 475 | G | B | 0.0000 | |
| 476 | Q | B | -0.2952 | |
| 477 | V | B | 0.0000 | |
| 478 | S | B | -0.5695 | |
| 479 | V | B | 0.0000 | |
| 480 | E | B | -1.0569 | |
| 481 | I | B | 0.0000 | |
| 482 | E | B | -1.2200 | |
| 483 | W | B | 0.0000 | |
| 484 | E | B | -1.8169 | |
| 485 | L | B | 0.0000 | |
| 486 | Q | B | -2.1959 | |
| 487 | K | B | -2.7472 | |
| 488 | E | B | -2.3646 | |
| 489 | N | B | -2.3023 | |
| 490 | S | B | -1.3582 | |
| 491 | K | B | -0.7163 | |
| 492 | R | B | -0.0835 | |
| 493 | W | B | 0.8248 | |
| 494 | N | B | 0.0511 | |
| 495 | P | B | -0.3070 | |
| 496 | E | B | -0.3101 | |
| 497 | I | B | 0.0761 | |
| 498 | Q | B | -0.5748 | |
| 499 | Y | B | 0.0000 | |
| 500 | T | B | -0.4658 | |
| 501 | S | B | -0.9004 | |
| 502 | N | B | -1.3450 | |
| 503 | Y | B | -0.3868 | |
| 504 | N | B | -1.9294 | |
| 505 | K | B | -1.8146 | |
| 506 | S | B | -0.4632 | |
| 507 | V | B | 1.0827 | |
| 508 | N | B | 0.3147 | |
| 509 | V | B | 0.9351 | |
| 510 | D | B | -0.2409 | |
| 511 | F | B | 0.0206 | |
| 512 | T | B | 0.7480 | |
| 513 | V | B | 0.8709 | |
| 514 | D | B | -0.1302 | |
| 515 | T | B | -0.6248 | |
| 516 | N | B | -1.1729 | |
| 517 | G | B | -0.4396 | |
| 518 | V | B | 0.4923 | |
| 519 | Y | B | 0.5305 | |
| 520 | S | B | -0.3324 | |
| 521 | E | B | -0.8532 | |
| 522 | P | B | -0.9656 | |
| 523 | R | B | -0.9536 | |
| 524 | P | B | -0.5719 | |
| 525 | I | B | 0.0000 | |
| 526 | G | B | -0.2276 | |
| 527 | T | B | 0.0000 | |
| 528 | R | B | 0.0000 | |
| 529 | Y | B | 0.1168 | |
| 530 | L | B | 0.0000 | |
| 531 | T | B | 0.0000 | |
| 532 | R | B | -0.5582 | |
| 533 | N | B | 0.0000 | |
| 534 | L | B | 0.0000 | |
| 16 | A | C | -1.2739 | |
| 17 | D | C | -2.2554 | |
| 18 | G | C | -1.0575 | |
| 19 | V | C | 0.2535 | |
| 20 | G | C | -0.7644 | |
| 21 | N | C | -1.8367 | |
| 22 | S | C | -1.5522 | |
| 23 | S | C | 0.0000 | |
| 24 | G | C | -1.3602 | |
| 25 | N | C | -1.0797 | |
| 26 | W | C | -0.0147 | |
| 27 | H | C | -0.5807 | |
| 28 | C | C | -0.3802 | |
| 29 | D | C | -0.9618 | |
| 30 | S | C | -0.6897 | |
| 31 | Q | C | -0.8057 | |
| 32 | W | C | -0.5520 | |
| 33 | L | C | -0.1661 | |
| 34 | G | C | -1.4427 | |
| 35 | D | C | -2.6828 | |
| 36 | R | C | -2.1669 | |
| 37 | V | C | 0.0000 | |
| 38 | I | C | -0.4404 | |
| 39 | T | C | 0.0000 | |
| 40 | T | C | 0.0000 | |
| 41 | S | C | 0.0000 | |
| 42 | T | C | 0.0000 | |
| 43 | R | C | 0.0000 | |
| 44 | T | C | 0.6233 | |
| 45 | W | C | 0.0000 | |
| 46 | A | C | 0.6985 | |
| 47 | L | C | 0.0000 | |
| 48 | P | C | 0.0833 | |
| 49 | T | C | -0.3068 | |
| 50 | Y | C | -0.3268 | |
| 51 | N | C | -0.9895 | |
| 52 | N | C | -1.2629 | |
| 53 | H | C | -0.5913 | |
| 54 | L | C | -0.4237 | |
| 55 | Y | C | -0.5701 | |
| 56 | K | C | -1.5741 | |
| 57 | Q | C | -1.4764 | |
| 58 | I | C | -0.7432 | |
| 59 | S | C | -0.8896 | |
| 60 | S | C | 0.0000 | |
| 61 | Q | C | -1.6570 | |
| 62 | S | C | -1.0833 | |
| 63 | G | C | -1.1285 | |
| 64 | A | C | -1.3927 | |
| 65 | S | C | -1.3870 | |
| 66 | N | C | -1.7801 | |
| 67 | D | C | -1.1788 | |
| 68 | N | C | -1.3647 | |
| 69 | H | C | -1.4959 | |
| 70 | Y | C | 0.0000 | |
| 71 | F | C | 0.0000 | |
| 72 | G | C | 0.0000 | |
| 73 | Y | C | -0.4703 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | 0.0000 | |
| 76 | P | C | 0.0000 | |
| 77 | W | C | 0.0000 | |
| 78 | G | C | 0.0000 | |
| 79 | Y | C | 0.0000 | |
| 80 | F | C | 0.0000 | |
| 81 | D | C | 0.0000 | |
| 82 | F | C | 0.0000 | |
| 83 | N | C | 0.0000 | |
| 84 | R | C | -0.2251 | |
| 85 | F | C | 0.0000 | |
| 86 | H | C | 0.0000 | |
| 87 | C | C | 0.0000 | |
| 88 | H | C | 0.0000 | |
| 89 | F | C | 0.0000 | |
| 90 | S | C | -0.9744 | |
| 91 | P | C | -1.4579 | |
| 92 | R | C | -2.5745 | |
| 93 | D | C | -2.0541 | |
| 94 | W | C | 0.0000 | |
| 95 | Q | C | -2.2924 | |
| 96 | R | C | -2.5863 | |
| 97 | L | C | 0.0000 | |
| 98 | I | C | 0.0000 | |
| 99 | N | C | -1.2832 | |
| 100 | N | C | -2.0815 | |
| 101 | N | C | 0.0000 | |
| 102 | W | C | -0.8868 | |
| 103 | G | C | 0.0000 | |
| 104 | F | C | 0.0000 | |
| 105 | R | C | -0.9980 | |
| 106 | P | C | 0.0000 | |
| 107 | K | C | -1.7829 | |
| 108 | K | C | -1.6397 | |
| 109 | L | C | 0.0000 | |
| 110 | S | C | -0.8721 | |
| 111 | F | C | 0.0000 | |
| 112 | K | C | -1.2637 | |
| 113 | L | C | 0.0000 | |
| 114 | F | C | 0.0000 | |
| 115 | N | C | -1.1568 | |
| 116 | I | C | 0.0000 | |
| 117 | Q | C | -0.9061 | |
| 118 | V | C | 0.0000 | |
| 119 | K | C | -0.4062 | |
| 120 | E | C | 0.0751 | |
| 121 | V | C | 0.1791 | |
| 122 | T | C | -0.7524 | |
| 123 | Q | C | -2.1923 | |
| 124 | N | C | -2.8958 | |
| 125 | D | C | -2.9450 | |
| 126 | G | C | -2.1101 | |
| 127 | T | C | -1.5487 | |
| 128 | T | C | -0.8657 | |
| 129 | T | C | 0.0410 | |
| 130 | I | C | 1.0010 | |
| 131 | A | C | 0.0789 | |
| 132 | N | C | -1.0205 | |
| 133 | N | C | -0.5347 | |
| 134 | L | C | 0.2936 | |
| 135 | T | C | -0.0716 | |
| 136 | S | C | 0.0000 | |
| 137 | T | C | -0.4222 | |
| 138 | V | C | 0.0000 | |
| 139 | Q | C | -0.4719 | |
| 140 | V | C | 0.0000 | |
| 141 | F | C | 0.0000 | |
| 142 | T | C | -0.4681 | |
| 143 | D | C | 0.0000 | |
| 144 | S | C | -1.2041 | |
| 145 | E | C | -2.2417 | |
| 146 | Y | C | 0.0000 | |
| 147 | Q | C | 0.0000 | |
| 148 | L | C | 0.0000 | |
| 149 | P | C | 0.0000 | |
| 150 | Y | C | 0.0000 | |
| 151 | V | C | 0.0000 | |
| 152 | L | C | 0.0000 | |
| 153 | G | C | -0.0654 | |
| 154 | S | C | 0.0000 | |
| 155 | A | C | 0.0000 | |
| 156 | H | C | 0.0000 | |
| 157 | Q | C | -0.5884 | |
| 158 | G | C | -0.1412 | |
| 159 | C | C | -0.0334 | |
| 160 | L | C | 0.0000 | |
| 161 | P | C | 0.0000 | |
| 162 | P | C | 0.2146 | |
| 163 | F | C | 1.0961 | |
| 164 | P | C | 0.4603 | |
| 165 | A | C | 0.3697 | |
| 166 | D | C | 0.5962 | |
| 167 | V | C | 1.7765 | |
| 168 | F | C | 0.0000 | |
| 169 | M | C | 1.3788 | |
| 170 | V | C | 0.0000 | |
| 171 | P | C | 0.0000 | |
| 172 | Q | C | 0.1236 | |
| 173 | Y | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | Y | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | T | C | 0.0000 | |
| 178 | L | C | 0.0000 | |
| 179 | N | C | 0.0000 | |
| 180 | N | C | -1.2294 | |
| 181 | G | C | -1.1436 | |
| 182 | S | C | -1.2810 | |
| 183 | Q | C | -1.2509 | |
| 184 | A | C | -0.5724 | |
| 185 | V | C | -0.1446 | |
| 186 | G | C | -0.2050 | |
| 187 | R | C | 0.0000 | |
| 188 | S | C | 0.0000 | |
| 189 | S | C | 0.0000 | |
| 190 | F | C | 0.2254 | |
| 191 | Y | C | 0.0000 | |
| 192 | C | C | 0.3062 | |
| 193 | L | C | 0.0000 | |
| 194 | E | C | -0.5831 | |
| 195 | Y | C | 0.7443 | |
| 196 | F | C | 0.0000 | |
| 197 | P | C | -0.3700 | |
| 198 | S | C | -0.5704 | |
| 199 | Q | C | -1.0330 | |
| 200 | M | C | -0.0974 | |
| 201 | L | C | 0.0000 | |
| 202 | R | C | -1.3934 | |
| 203 | T | C | -1.1833 | |
| 204 | G | C | 0.0000 | |
| 205 | N | C | -1.6134 | |
| 206 | N | C | -1.8858 | |
| 207 | F | C | -1.0629 | |
| 208 | Q | C | -1.4538 | |
| 209 | F | C | -0.4881 | |
| 210 | S | C | -0.6619 | |
| 211 | Y | C | -0.4368 | |
| 212 | T | C | -1.1162 | |
| 213 | F | C | 0.0000 | |
| 214 | E | C | -2.0285 | |
| 215 | D | C | -2.1581 | |
| 216 | V | C | 0.0000 | |
| 217 | P | C | -0.6304 | |
| 218 | F | C | -0.2424 | |
| 219 | H | C | 0.0000 | |
| 220 | S | C | 0.0000 | |
| 221 | S | C | 0.0000 | |
| 222 | Y | C | -0.0187 | |
| 223 | A | C | 0.0000 | |
| 224 | H | C | 0.0000 | |
| 225 | S | C | 0.0000 | |
| 226 | Q | C | 0.0000 | |
| 227 | S | C | 0.0000 | |
| 228 | L | C | 0.0000 | |
| 229 | D | C | 0.0000 | |
| 230 | R | C | 0.0000 | |
| 231 | L | C | 0.2076 | |
| 232 | M | C | 0.0000 | |
| 233 | N | C | 0.0000 | |
| 234 | P | C | 0.0000 | |
| 235 | L | C | 0.4335 | |
| 236 | I | C | -0.0572 | |
| 237 | D | C | -0.8710 | |
| 238 | Q | C | 0.0000 | |
| 239 | Y | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | Y | C | 0.0000 | |
| 242 | Y | C | 0.0000 | |
| 243 | L | C | 0.0000 | |
| 244 | N | C | -0.9070 | |
| 245 | R | C | -1.3784 | |
| 246 | T | C | 0.0000 | |
| 247 | Q | C | -1.7635 | |
| 248 | G | C | 0.0000 | |
| 249 | T | C | -0.9205 | |
| 250 | T | C | -0.7065 | |
| 251 | S | C | -0.6977 | |
| 252 | G | C | -0.7953 | |
| 253 | T | C | -0.6793 | |
| 254 | T | C | -0.9016 | |
| 255 | N | C | -1.8552 | |
| 256 | Q | C | -1.9422 | |
| 257 | S | C | 0.0000 | |
| 258 | R | C | -1.8948 | |
| 259 | L | C | 0.0000 | |
| 260 | L | C | -1.1046 | |
| 261 | F | C | 0.0000 | |
| 262 | S | C | 0.0000 | |
| 263 | Q | C | -0.5566 | |
| 264 | A | C | 0.0000 | |
| 265 | G | C | 0.0000 | |
| 266 | P | C | -0.7684 | |
| 267 | Q | C | -1.5277 | |
| 268 | S | C | -0.7810 | |
| 269 | M | C | 0.0000 | |
| 270 | S | C | 0.0000 | |
| 271 | L | C | -0.0530 | |
| 272 | Q | C | 0.0000 | |
| 273 | A | C | 0.0000 | |
| 274 | R | C | 0.0000 | |
| 275 | N | C | 0.0000 | |
| 276 | W | C | 0.0000 | |
| 277 | L | C | 0.0000 | |
| 278 | P | C | 0.0000 | |
| 279 | G | C | 0.0000 | |
| 280 | P | C | 0.0000 | |
| 281 | C | C | 0.0000 | |
| 282 | Y | C | 0.0000 | |
| 283 | R | C | 0.0000 | |
| 284 | Q | C | 0.0000 | |
| 285 | Q | C | 0.0000 | |
| 286 | R | C | -0.1336 | |
| 287 | L | C | 0.0000 | |
| 288 | S | C | 0.0000 | |
| 289 | K | C | -1.8348 | |
| 290 | T | C | -1.2692 | |
| 291 | A | C | -1.5500 | |
| 292 | N | C | -2.1716 | |
| 293 | D | C | -1.8900 | |
| 294 | N | C | 0.0000 | |
| 295 | N | C | -1.8443 | |
| 296 | N | C | -2.5321 | |
| 297 | S | C | -1.6198 | |
| 298 | N | C | -1.6905 | |
| 299 | F | C | 0.0000 | |
| 300 | P | C | -0.3901 | |
| 301 | W | C | -0.0028 | |
| 302 | T | C | -0.0659 | |
| 303 | A | C | 0.0000 | |
| 304 | A | C | 0.0000 | |
| 305 | S | C | 0.0000 | |
| 306 | K | C | 0.0000 | |
| 307 | Y | C | 0.0000 | |
| 308 | H | C | 0.0000 | |
| 309 | L | C | 0.0000 | |
| 310 | N | C | 0.0000 | |
| 311 | G | C | -0.6158 | |
| 312 | R | C | 0.0000 | |
| 313 | D | C | -0.5750 | |
| 314 | S | C | 0.0000 | |
| 315 | L | C | 0.0000 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | 0.0000 | |
| 318 | P | C | 0.0000 | |
| 319 | G | C | 0.0000 | |
| 320 | P | C | 0.0000 | |
| 321 | A | C | -0.0978 | |
| 322 | M | C | 0.0000 | |
| 323 | A | C | 0.0000 | |
| 324 | S | C | 0.0000 | |
| 325 | H | C | 0.0000 | |
| 326 | K | C | -1.5871 | |
| 327 | D | C | -2.0532 | |
| 328 | D | C | -2.9976 | |
| 329 | E | C | -2.7295 | |
| 330 | E | C | -3.4200 | |
| 331 | K | C | -2.7010 | |
| 332 | F | C | 0.0000 | |
| 333 | F | C | 0.0000 | |
| 334 | P | C | 0.0000 | |
| 335 | M | C | 0.0000 | |
| 336 | H | C | 0.0000 | |
| 337 | G | C | 0.0000 | |
| 338 | N | C | 0.0000 | |
| 339 | L | C | 0.0000 | |
| 340 | I | C | 0.0000 | |
| 341 | F | C | 0.0000 | |
| 342 | G | C | -1.3877 | |
| 343 | K | C | -2.3697 | |
| 344 | E | C | -2.0865 | |
| 345 | G | C | -1.3685 | |
| 346 | T | C | -1.5071 | |
| 347 | T | C | -0.8180 | |
| 348 | A | C | -0.4518 | |
| 349 | S | C | -0.6375 | |
| 350 | N | C | -1.0112 | |
| 351 | A | C | 0.0000 | |
| 352 | E | C | -1.3996 | |
| 353 | L | C | -1.2374 | |
| 354 | D | C | -2.2274 | |
| 355 | N | C | -2.0102 | |
| 356 | V | C | 0.0000 | |
| 357 | M | C | 0.0000 | |
| 358 | I | C | -0.2686 | |
| 359 | T | C | 0.0000 | |
| 360 | D | C | -0.9806 | |
| 361 | E | C | 0.0000 | |
| 362 | E | C | -1.0474 | |
| 363 | E | C | -0.5372 | |
| 364 | I | C | 0.0000 | |
| 365 | R | C | -0.5167 | |
| 366 | T | C | 0.0000 | |
| 367 | T | C | 0.0000 | |
| 368 | N | C | 0.0000 | |
| 369 | P | C | 0.0000 | |
| 370 | V | C | 0.0000 | |
| 371 | A | C | 0.0000 | |
| 372 | T | C | 0.0000 | |
| 373 | E | C | 0.0000 | |
| 374 | Q | C | -0.3845 | |
| 375 | Y | C | 0.0000 | |
| 376 | G | C | 0.0000 | |
| 377 | T | C | -0.5495 | |
| 378 | V | C | 0.0000 | |
| 379 | A | C | 0.0000 | |
| 380 | N | C | -1.0475 | |
| 381 | N | C | -0.5169 | |
| 382 | L | C | 0.1557 | |
| 383 | Q | C | 0.0000 | |
| 384 | S | C | -1.1139 | |
| 385 | S | C | -1.7365 | |
| 386 | N | C | -1.6882 | |
| 387 | T | C | -0.8230 | |
| 388 | A | C | -0.5221 | |
| 389 | P | C | -0.3211 | |
| 390 | T | C | -0.4618 | |
| 391 | T | C | -0.8574 | |
| 392 | R | C | -1.3536 | |
| 393 | T | C | -0.7962 | |
| 394 | V | C | 0.0000 | |
| 395 | N | C | 0.0000 | |
| 396 | D | C | -0.4256 | |
| 397 | Q | C | 0.0000 | |
| 398 | G | C | 0.0000 | |
| 399 | A | C | 0.0000 | |
| 400 | L | C | 0.0000 | |
| 401 | P | C | 0.0000 | |
| 402 | G | C | 0.0000 | |
| 403 | M | C | 0.0000 | |
| 404 | V | C | 0.0000 | |
| 405 | W | C | 0.0000 | |
| 406 | Q | C | 0.0000 | |
| 407 | D | C | -0.4333 | |
| 408 | R | C | 0.0000 | |
| 409 | D | C | 0.0000 | |
| 410 | V | C | 0.0000 | |
| 411 | Y | C | 0.0000 | |
| 412 | L | C | 0.0000 | |
| 413 | Q | C | 0.0000 | |
| 414 | G | C | 0.0000 | |
| 415 | P | C | 0.0000 | |
| 416 | I | C | 0.0000 | |
| 417 | W | C | 0.0000 | |
| 418 | A | C | 0.0000 | |
| 419 | K | C | 0.0000 | |
| 420 | I | C | 0.0000 | |
| 421 | P | C | 0.0000 | |
| 422 | H | C | -0.7278 | |
| 423 | T | C | -0.5195 | |
| 424 | D | C | -0.7297 | |
| 425 | G | C | 0.0000 | |
| 426 | H | C | -0.7204 | |
| 427 | F | C | 0.0000 | |
| 428 | H | C | -0.5049 | |
| 429 | P | C | -0.4728 | |
| 430 | S | C | -0.2944 | |
| 431 | P | C | 0.0000 | |
| 432 | L | C | 0.0000 | |
| 433 | M | C | 0.0000 | |
| 434 | G | C | 0.0000 | |
| 435 | G | C | -0.1549 | |
| 436 | F | C | 0.0000 | |
| 437 | G | C | -0.6481 | |
| 438 | L | C | 0.0000 | |
| 439 | K | C | -2.0293 | |
| 440 | H | C | -2.0037 | |
| 441 | P | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | P | C | 0.0000 | |
| 444 | Q | C | 0.0000 | |
| 445 | I | C | 0.0000 | |
| 446 | M | C | 0.0000 | |
| 447 | I | C | 0.0000 | |
| 448 | K | C | 0.0000 | |
| 449 | N | C | 0.0000 | |
| 450 | T | C | 0.1729 | |
| 451 | P | C | 0.1127 | |
| 452 | V | C | 0.4462 | |
| 453 | P | C | 0.1221 | |
| 454 | A | C | -0.2827 | |
| 455 | N | C | -1.3467 | |
| 456 | P | C | -0.6607 | |
| 457 | P | C | -0.3510 | |
| 458 | T | C | -0.0145 | |
| 459 | T | C | 0.6700 | |
| 460 | F | C | 1.6589 | |
| 461 | S | C | 0.3760 | |
| 462 | P | C | -0.1738 | |
| 463 | A | C | -0.4895 | |
| 464 | K | C | -1.3764 | |
| 465 | F | C | -0.0619 | |
| 466 | A | C | -0.1673 | |
| 467 | S | C | -0.2535 | |
| 468 | F | C | 0.3183 | |
| 469 | I | C | 0.6016 | |
| 470 | T | C | 0.1767 | |
| 471 | Q | C | 0.0000 | |
| 472 | Y | C | 0.3689 | |
| 473 | S | C | 0.0000 | |
| 474 | T | C | 0.0625 | |
| 475 | G | C | 0.0000 | |
| 476 | Q | C | -0.3305 | |
| 477 | V | C | 0.0000 | |
| 478 | S | C | -0.6169 | |
| 479 | V | C | 0.0000 | |
| 480 | E | C | -0.9806 | |
| 481 | I | C | 0.0000 | |
| 482 | E | C | 0.0000 | |
| 483 | W | C | 0.0000 | |
| 484 | E | C | -1.6999 | |
| 485 | L | C | 0.0000 | |
| 486 | Q | C | -2.2000 | |
| 487 | K | C | -2.6332 | |
| 488 | E | C | -2.2650 | |
| 489 | N | C | -2.4517 | |
| 490 | S | C | -1.2151 | |
| 491 | K | C | -0.5105 | |
| 492 | R | C | -0.0604 | |
| 493 | W | C | 0.9068 | |
| 494 | N | C | 0.0220 | |
| 495 | P | C | -0.3113 | |
| 496 | E | C | -0.3235 | |
| 497 | I | C | 0.0522 | |
| 498 | Q | C | -0.5708 | |
| 499 | Y | C | 0.0000 | |
| 500 | T | C | -0.4862 | |
| 501 | S | C | -0.8856 | |
| 502 | N | C | -1.3151 | |
| 503 | Y | C | -0.3873 | |
| 504 | N | C | -1.7507 | |
| 505 | K | C | -1.8052 | |
| 506 | S | C | -0.4187 | |
| 507 | V | C | 1.1264 | |
| 508 | N | C | 0.4090 | |
| 509 | V | C | 0.9215 | |
| 510 | D | C | -0.0527 | |
| 511 | F | C | 0.0772 | |
| 512 | T | C | 0.8060 | |
| 513 | V | C | 0.9101 | |
| 514 | D | C | -0.0995 | |
| 515 | T | C | -0.6198 | |
| 516 | N | C | -1.1813 | |
| 517 | G | C | -0.4498 | |
| 518 | V | C | 0.4378 | |
| 519 | Y | C | 0.5181 | |
| 520 | S | C | -0.3423 | |
| 521 | E | C | -0.8541 | |
| 522 | P | C | -0.9814 | |
| 523 | R | C | -1.0733 | |
| 524 | P | C | -0.6283 | |
| 525 | I | C | 0.0000 | |
| 526 | G | C | -0.2330 | |
| 527 | T | C | 0.0000 | |
| 528 | R | C | 0.0000 | |
| 529 | Y | C | 0.1372 | |
| 530 | L | C | 0.0000 | |
| 531 | T | C | 0.0000 | |
| 532 | R | C | -0.5817 | |
| 533 | N | C | 0.0000 | |
| 534 | L | C | 0.0000 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.2019 | 4.9549 | View | CSV | PDB |
| 4.5 | -0.2308 | 4.9549 | View | CSV | PDB |
| 5.0 | -0.2649 | 4.9549 | View | CSV | PDB |
| 5.5 | -0.2992 | 4.9549 | View | CSV | PDB |
| 6.0 | -0.3287 | 4.9549 | View | CSV | PDB |
| 6.5 | -0.3489 | 4.9549 | View | CSV | PDB |
| 7.0 | -0.3595 | 4.9549 | View | CSV | PDB |
| 7.5 | -0.3637 | 4.9549 | View | CSV | PDB |
| 8.0 | -0.364 | 4.9549 | View | CSV | PDB |
| 8.5 | -0.3603 | 4.9549 | View | CSV | PDB |
| 9.0 | -0.3516 | 4.9549 | View | CSV | PDB |