| Chain sequence(s) |
A: KRPGNDNSTATLCLGHHAVPNGTIVKTSTNDRIEVTNATELLLNSSIGKICNSPYQILDGGNCTLIDALLGDPQCDGFQNKEWDLFVERSRASSSCYPYDVPDVASLRSLVASSGTLEFKRESFNWTGVKQNGTSSACKRGSESSFFSRLNWLTSLANVYPAENVTMPNKEQFDKLYIRGVHHPRTDKNQFSLFAQSSGRITVSTKRSQQAEIPNIGSRPRIRDIPSRISIYWTIVKPGDLLLINSTGNLIAPRGYFKIRSGKESIMRSDAPIGKCKSERITPGGSIPVDKPFQNVNRITYGACPRYLKLSTLKLATGMRNVPEKQTRGIFGAIAGFIENGVEGMVDGWYGFRHQNSEGRGQAADLKSTQAAIDQINGKLNRLIGKTNEKFHQIEKEFSEVEGRVQDLEKYVEDTKIDLWSYNAELLVALENQITIVLTDTEMNKLFEKTKKQLRENAEDMGNGCFKIYLKCDNVCIGSIRNETYDHNVYRDEALNNRFQI
C: KRPGNDNSTATLCLGHHAVPNGTIVKTSTNDRIEVTNATELLLNSSIGKICNSPYQILDGGNCTLIDALLGDPQCDGFQNKEWDLFVERSRASSSCYPYDVPDVASLRSLVASSGTLEFKRESFNWTGVKQNGTSSACKRGSESSFFSRLNWLTSLANVYPAENVTMPNKEQFDKLYIRGVHHPRTDKNQFSLFAQSSGRITVSTKRSQQAEIPNIGSRPRIRDIPSRISIYWTIVKPGDLLLINSTGNLIAPRGYFKIRSGKESIMRSDAPIGKCKSERITPGGSIPVDKPFQNVNRITYGACPRYLKLSTLKLATGMRNVPEKQTRGIFGAIAGFIENGVEGMVDGWYGFRHQNSEGRGQAADLKSTQAAIDQINGKLNRLIGKTNEKFHQIEKEFSEVEGRVQDLEKYVEDTKIDLWSYNAELLVALENQITIVLTDTEMNKLFEKTKKQLRENAEDMGNGCFKIYLKCDNVCIGSIRNETYDHNVYRDEALNNRFQI B: KRPGNDNSTATLCLGHHAVPNGTIVKTSTNDRIEVTNATELLLNSSIGKICNSPYQILDGGNCTLIDALLGDPQCDGFQNKEWDLFVERSRASSSCYPYDVPDVASLRSLVASSGTLEFKRESFNWTGVKQNGTSSACKRGSESSFFSRLNWLTSLANVYPAENVTMPNKEQFDKLYIRGVHHPRTDKNQFSLFAQSSGRITVSTKRSQQAEIPNIGSRPRIRDIPSRISIYWTIVKPGDLLLINSTGNLIAPRGYFKIRSGKESIMRSDAPIGKCKSERITPGGSIPVDKPFQNVNRITYGACPRYLKLSTLKLATGMRNVPEKQTRGIFGAIAGFIENGVEGMVDGWYGFRHQNSEGRGQAADLKSTQAAIDQINGKLNRLIGKTNEKFHQIEKEFSEVEGRVQDLEKYVEDTKIDLWSYNAELLVALENQITIVLTDTEMNKLFEKTKKQLRENAEDMGNGCFKIYLKCDNVCIGSIRNETYDHNVYRDEALNNRFQI input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[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. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:51:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/63c13eb41047e8c/tmp/folded.pdb (00:51:36)
[INFO] Main: Simulation completed successfully. (01:14:26)
|
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 | K | A | -2.7532 | |
| 2 | R | A | -3.1430 | |
| 3 | P | A | -2.5261 | |
| 4 | G | A | -2.9576 | |
| 5 | N | A | -3.1798 | |
| 6 | D | A | -3.4926 | |
| 7 | N | A | -3.3406 | |
| 8 | S | A | -2.3505 | |
| 9 | T | A | -2.0089 | |
| 10 | A | A | 0.0000 | |
| 11 | T | A | -0.8486 | |
| 12 | L | A | 0.0000 | |
| 13 | C | A | -0.5041 | |
| 14 | L | A | 0.0000 | |
| 15 | G | A | 0.0000 | |
| 16 | H | A | 0.0000 | |
| 17 | H | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | V | A | -1.0051 | |
| 20 | P | A | -1.2708 | |
| 21 | N | A | -1.5951 | |
| 22 | G | A | -1.1931 | |
| 23 | T | A | -0.9917 | |
| 24 | I | A | -0.9420 | |
| 25 | V | A | 0.0000 | |
| 26 | K | A | -2.1557 | |
| 27 | T | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | T | A | 0.0000 | |
| 30 | N | A | -3.0268 | |
| 31 | D | A | -3.5149 | |
| 32 | R | A | -3.0754 | |
| 33 | I | A | 0.0000 | |
| 34 | E | A | -1.7042 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | 0.0000 | |
| 37 | N | A | -1.6642 | |
| 38 | A | A | -0.8647 | |
| 39 | T | A | -0.6731 | |
| 40 | E | A | -0.7223 | |
| 41 | L | A | 0.0000 | |
| 42 | L | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | N | A | -1.4790 | |
| 45 | S | A | -0.7512 | |
| 46 | S | A | -0.3549 | |
| 47 | I | A | 0.2624 | |
| 48 | G | A | -0.4400 | |
| 49 | K | A | -1.4063 | |
| 50 | I | A | 0.0000 | |
| 51 | C | A | 0.0000 | |
| 52 | N | A | -2.1639 | |
| 53 | S | A | -1.9423 | |
| 54 | P | A | -1.3423 | |
| 55 | Y | A | 0.0000 | |
| 56 | Q | A | -1.6210 | |
| 57 | I | A | -0.8197 | |
| 58 | L | A | -0.7971 | |
| 59 | D | A | -1.1419 | |
| 60 | G | A | 0.0000 | |
| 61 | G | A | -1.3005 | |
| 62 | N | A | -1.3372 | |
| 63 | C | A | 0.0000 | |
| 64 | T | A | -0.7490 | |
| 65 | L | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | D | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | 0.0000 | |
| 73 | P | A | -1.7945 | |
| 74 | Q | A | -1.6176 | |
| 75 | C | A | 0.0000 | |
| 76 | D | A | -2.0045 | |
| 77 | G | A | -1.5389 | |
| 78 | F | A | -1.7409 | |
| 79 | Q | A | -2.5231 | |
| 80 | N | A | -2.6831 | |
| 81 | K | A | -2.4115 | |
| 82 | E | A | -2.2420 | |
| 83 | W | A | 0.0000 | |
| 84 | D | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | E | A | 0.0000 | |
| 89 | R | A | -2.1750 | |
| 90 | S | A | -2.0281 | |
| 91 | R | A | -2.4515 | |
| 92 | A | A | -1.3673 | |
| 93 | S | A | -0.9160 | |
| 94 | S | A | -0.3067 | |
| 95 | S | A | -0.8138 | |
| 96 | C | A | 0.0000 | |
| 97 | Y | A | 0.0000 | |
| 98 | P | A | 0.0000 | |
| 99 | Y | A | -0.1486 | |
| 100 | D | A | -0.7040 | |
| 101 | V | A | 0.0000 | |
| 102 | P | A | -0.8522 | |
| 103 | D | A | -1.6425 | |
| 104 | V | A | -0.4661 | |
| 105 | A | A | -0.7497 | |
| 106 | S | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | R | A | -0.5104 | |
| 109 | S | A | -0.5910 | |
| 110 | L | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | A | A | 0.0000 | |
| 113 | S | A | -0.5778 | |
| 114 | S | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | T | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | E | A | -1.9061 | |
| 119 | F | A | 0.0000 | |
| 120 | K | A | -2.5181 | |
| 121 | R | A | -2.8950 | |
| 122 | E | A | -2.1290 | |
| 123 | S | A | -1.3198 | |
| 124 | F | A | 0.0000 | |
| 125 | N | A | -1.5934 | |
| 126 | W | A | 0.0000 | |
| 127 | T | A | -0.8699 | |
| 128 | G | A | -0.2606 | |
| 129 | V | A | 0.0000 | |
| 130 | K | A | -1.3995 | |
| 131 | Q | A | -1.8045 | |
| 132 | N | A | -1.9134 | |
| 133 | G | A | -1.1504 | |
| 134 | T | A | -1.0726 | |
| 135 | S | A | -0.7400 | |
| 136 | S | A | -1.6776 | |
| 137 | A | A | -1.5171 | |
| 138 | C | A | 0.0000 | |
| 139 | K | A | -3.6139 | |
| 140 | R | A | -3.8263 | |
| 141 | G | A | -2.6151 | |
| 142 | S | A | -2.3616 | |
| 143 | E | A | -3.2975 | |
| 144 | S | A | -2.4158 | |
| 145 | S | A | -2.1208 | |
| 146 | F | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | S | A | -1.0326 | |
| 149 | R | A | -1.0092 | |
| 150 | L | A | 0.0000 | |
| 151 | N | A | 0.0000 | |
| 152 | W | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | T | A | -0.4660 | |
| 155 | S | A | 0.0000 | |
| 156 | L | A | 0.4555 | |
| 157 | A | A | 0.1998 | |
| 158 | N | A | 0.0999 | |
| 159 | V | A | 1.1853 | |
| 160 | Y | A | 0.0000 | |
| 161 | P | A | 0.0972 | |
| 162 | A | A | -0.2597 | |
| 163 | E | A | 0.0000 | |
| 164 | N | A | -1.5062 | |
| 165 | V | A | 0.0000 | |
| 166 | T | A | -0.4207 | |
| 167 | M | A | -0.3154 | |
| 168 | P | A | -0.7314 | |
| 169 | N | A | 0.0000 | |
| 170 | K | A | -2.5622 | |
| 171 | E | A | -2.2410 | |
| 172 | Q | A | -2.0199 | |
| 173 | F | A | -1.3042 | |
| 174 | D | A | -1.6916 | |
| 175 | K | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | Y | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | R | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | H | A | 0.0000 | |
| 183 | H | A | 0.0000 | |
| 184 | P | A | 0.0000 | |
| 185 | R | A | -1.9358 | |
| 186 | T | A | -1.9612 | |
| 187 | D | A | -2.6361 | |
| 188 | K | A | -2.5098 | |
| 189 | N | A | -1.7411 | |
| 190 | Q | A | 0.0000 | |
| 191 | F | A | 0.1202 | |
| 192 | S | A | -0.2657 | |
| 193 | L | A | 0.1152 | |
| 194 | F | A | 0.0000 | |
| 195 | A | A | 0.4818 | |
| 196 | Q | A | -0.1971 | |
| 197 | S | A | -0.6359 | |
| 198 | S | A | -0.3106 | |
| 199 | G | A | 0.0000 | |
| 200 | R | A | -0.3057 | |
| 201 | I | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | V | A | 0.0000 | |
| 204 | S | A | 0.0000 | |
| 205 | T | A | 0.0000 | |
| 206 | K | A | -2.0616 | |
| 207 | R | A | -2.3676 | |
| 208 | S | A | -1.4261 | |
| 209 | Q | A | -1.0325 | |
| 210 | Q | A | -0.5554 | |
| 211 | A | A | -0.0180 | |
| 212 | E | A | 0.0000 | |
| 213 | I | A | 0.8127 | |
| 214 | P | A | 0.0000 | |
| 215 | N | A | 0.0000 | |
| 216 | I | A | -0.5598 | |
| 217 | G | A | -0.9133 | |
| 218 | S | A | -1.0219 | |
| 219 | R | A | 0.0000 | |
| 220 | P | A | 0.0000 | |
| 221 | R | A | -2.8552 | |
| 222 | I | A | -2.2539 | |
| 223 | R | A | -2.9637 | |
| 224 | D | A | -3.1134 | |
| 225 | I | A | -1.9348 | |
| 226 | P | A | -1.7678 | |
| 227 | S | A | 0.0000 | |
| 228 | R | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | Y | A | 0.0404 | |
| 233 | W | A | 0.3514 | |
| 234 | T | A | 0.0000 | |
| 235 | I | A | -0.2591 | |
| 236 | V | A | 0.0000 | |
| 237 | K | A | -2.6508 | |
| 238 | P | A | -1.9901 | |
| 239 | G | A | -1.7103 | |
| 240 | D | A | 0.0000 | |
| 241 | L | A | -0.6434 | |
| 242 | L | A | 0.0000 | |
| 243 | L | A | -0.2226 | |
| 244 | I | A | 0.0000 | |
| 245 | N | A | -0.7030 | |
| 246 | S | A | 0.0000 | |
| 247 | T | A | -0.4958 | |
| 248 | G | A | 0.0000 | |
| 249 | N | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | P | A | 0.0000 | |
| 254 | R | A | -1.5173 | |
| 255 | G | A | 0.0000 | |
| 256 | Y | A | 0.0000 | |
| 257 | F | A | 0.0000 | |
| 258 | K | A | -1.0215 | |
| 259 | I | A | -0.7174 | |
| 260 | R | A | -1.5421 | |
| 261 | S | A | -1.1519 | |
| 262 | G | A | -1.1965 | |
| 263 | K | A | -1.3026 | |
| 264 | E | A | 0.0000 | |
| 265 | S | A | 0.0000 | |
| 266 | I | A | -0.1630 | |
| 267 | M | A | 0.0000 | |
| 268 | R | A | -1.8717 | |
| 269 | S | A | 0.0000 | |
| 270 | D | A | -2.7457 | |
| 271 | A | A | -1.4579 | |
| 272 | P | A | -0.9965 | |
| 273 | I | A | -0.7619 | |
| 274 | G | A | -1.3251 | |
| 275 | K | A | -2.2531 | |
| 276 | C | A | -1.7090 | |
| 277 | K | A | -2.4070 | |
| 278 | S | A | 0.0000 | |
| 279 | E | A | -1.2009 | |
| 280 | R | A | 0.0000 | |
| 281 | I | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | P | A | 0.0000 | |
| 284 | G | A | -0.9977 | |
| 285 | G | A | 0.0000 | |
| 286 | S | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | P | A | 0.0974 | |
| 289 | V | A | 0.6859 | |
| 290 | D | A | -0.7717 | |
| 291 | K | A | -0.9263 | |
| 292 | P | A | 0.0000 | |
| 293 | F | A | 0.0000 | |
| 294 | Q | A | 0.0000 | |
| 295 | N | A | -1.3105 | |
| 296 | V | A | -0.7407 | |
| 297 | N | A | -0.7817 | |
| 298 | R | A | -0.9147 | |
| 299 | I | A | -0.6609 | |
| 300 | T | A | -0.3854 | |
| 301 | Y | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | A | A | -1.1950 | |
| 304 | C | A | 0.0000 | |
| 305 | P | A | 0.0000 | |
| 306 | R | A | -0.8151 | |
| 307 | Y | A | -0.6468 | |
| 308 | L | A | 0.0000 | |
| 309 | K | A | -1.8353 | |
| 310 | L | A | -1.0266 | |
| 311 | S | A | -0.7900 | |
| 312 | T | A | -0.8009 | |
| 313 | L | A | 0.0000 | |
| 314 | K | A | -0.9614 | |
| 315 | L | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | T | A | -0.7015 | |
| 318 | G | A | 0.0000 | |
| 319 | M | A | 0.0000 | |
| 320 | R | A | -1.1608 | |
| 321 | N | A | 0.0000 | |
| 322 | V | A | -1.0440 | |
| 323 | P | A | -2.1690 | |
| 324 | E | A | -3.4697 | |
| 325 | K | A | -3.3179 | |
| 326 | Q | A | -3.0306 | |
| 327 | T | A | -2.0951 | |
| 328 | R | A | -2.0520 | |
| 329 | G | A | -0.9833 | |
| 330 | I | A | 0.9689 | |
| 331 | F | A | 0.1084 | |
| 332 | G | A | 0.1492 | |
| 333 | A | A | 0.1334 | |
| 334 | I | A | 0.0440 | |
| 335 | A | A | 0.0083 | |
| 336 | G | A | -0.4528 | |
| 337 | F | A | 0.0000 | |
| 338 | I | A | 0.0000 | |
| 339 | E | A | 0.0000 | |
| 340 | N | A | -1.0001 | |
| 341 | G | A | 0.0000 | |
| 342 | V | A | -1.1865 | |
| 343 | E | A | -1.9687 | |
| 344 | G | A | -1.2806 | |
| 345 | M | A | 0.0000 | |
| 346 | V | A | 0.5127 | |
| 347 | D | A | -0.7439 | |
| 348 | G | A | 0.0000 | |
| 349 | W | A | 0.3572 | |
| 350 | Y | A | 0.0000 | |
| 351 | G | A | 0.0000 | |
| 352 | F | A | 0.0000 | |
| 353 | R | A | -1.4812 | |
| 354 | H | A | -2.0446 | |
| 355 | Q | A | -2.6509 | |
| 356 | N | A | -3.1321 | |
| 357 | S | A | -3.1862 | |
| 358 | E | A | -3.1856 | |
| 359 | G | A | -2.6742 | |
| 360 | R | A | -3.2529 | |
| 361 | G | A | -2.2838 | |
| 362 | Q | A | -1.6417 | |
| 363 | A | A | -0.6331 | |
| 364 | A | A | -0.3308 | |
| 365 | D | A | 0.0000 | |
| 366 | L | A | 0.1030 | |
| 367 | K | A | -1.2646 | |
| 368 | S | A | 0.0000 | |
| 369 | T | A | 0.0000 | |
| 370 | Q | A | -1.1351 | |
| 371 | A | A | -1.2038 | |
| 372 | A | A | 0.0000 | |
| 373 | I | A | -1.1635 | |
| 374 | D | A | -2.3858 | |
| 375 | Q | A | -1.8877 | |
| 376 | I | A | 0.0000 | |
| 377 | N | A | -2.2119 | |
| 378 | G | A | -2.3096 | |
| 379 | K | A | 0.0000 | |
| 380 | L | A | -0.9503 | |
| 381 | N | A | -1.8609 | |
| 382 | R | A | -1.3000 | |
| 383 | L | A | -0.5119 | |
| 384 | I | A | -0.3909 | |
| 385 | G | A | -1.0179 | |
| 386 | K | A | -1.4909 | |
| 387 | T | A | -1.3166 | |
| 388 | N | A | -1.8778 | |
| 389 | E | A | -2.2822 | |
| 390 | K | A | -1.4733 | |
| 391 | F | A | -0.6512 | |
| 392 | H | A | -0.6883 | |
| 393 | Q | A | -0.8812 | |
| 394 | I | A | 0.0000 | |
| 395 | E | A | -2.1812 | |
| 396 | K | A | 0.0000 | |
| 397 | E | A | -1.6220 | |
| 398 | F | A | -0.9329 | |
| 399 | S | A | -0.8707 | |
| 400 | E | A | -1.6625 | |
| 401 | V | A | -0.2414 | |
| 402 | E | A | -1.0211 | |
| 403 | G | A | 0.0000 | |
| 404 | R | A | -0.7175 | |
| 405 | V | A | -0.1990 | |
| 406 | Q | A | 0.0000 | |
| 407 | D | A | -1.0214 | |
| 408 | L | A | 0.0000 | |
| 409 | E | A | 0.0000 | |
| 410 | K | A | -2.1598 | |
| 411 | Y | A | 0.0000 | |
| 412 | V | A | 0.0000 | |
| 413 | E | A | 0.0000 | |
| 414 | D | A | -1.3642 | |
| 415 | T | A | -0.7639 | |
| 416 | K | A | -0.7292 | |
| 417 | I | A | 0.0000 | |
| 418 | D | A | -0.8021 | |
| 419 | L | A | 0.0000 | |
| 420 | W | A | 0.0000 | |
| 421 | S | A | -0.6814 | |
| 422 | Y | A | -0.3311 | |
| 423 | N | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | E | A | -0.7773 | |
| 426 | L | A | 0.0000 | |
| 427 | L | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | L | A | 0.0000 | |
| 431 | E | A | 0.0000 | |
| 432 | N | A | 0.0000 | |
| 433 | Q | A | 0.4119 | |
| 434 | I | A | 0.9024 | |
| 435 | T | A | 0.0000 | |
| 436 | I | A | 0.7593 | |
| 437 | V | A | 1.6342 | |
| 438 | L | A | 0.0000 | |
| 439 | T | A | 0.0000 | |
| 440 | D | A | 0.0407 | |
| 441 | T | A | 0.0111 | |
| 442 | E | A | -0.7047 | |
| 443 | M | A | 0.0000 | |
| 444 | N | A | -0.9981 | |
| 445 | K | A | -1.2837 | |
| 446 | L | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | E | A | -1.7961 | |
| 449 | K | A | -1.8899 | |
| 450 | T | A | 0.0000 | |
| 451 | K | A | -1.5356 | |
| 452 | K | A | 0.0000 | |
| 453 | Q | A | -1.5664 | |
| 454 | L | A | 0.0000 | |
| 455 | R | A | -0.8912 | |
| 456 | E | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | A | A | 0.0000 | |
| 459 | E | A | 0.0000 | |
| 460 | D | A | 0.0000 | |
| 461 | M | A | -0.2607 | |
| 462 | G | A | -0.5224 | |
| 463 | N | A | -0.1994 | |
| 464 | G | A | 0.0000 | |
| 465 | C | A | 0.0000 | |
| 466 | F | A | 0.0000 | |
| 467 | K | A | -0.6026 | |
| 468 | I | A | 0.0000 | |
| 469 | Y | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | K | A | -2.6619 | |
| 472 | C | A | 0.0000 | |
| 473 | D | A | -1.6860 | |
| 474 | N | A | -1.6013 | |
| 475 | V | A | 0.8534 | |
| 476 | C | A | 0.0000 | |
| 477 | I | A | 0.0000 | |
| 478 | G | A | -0.8536 | |
| 479 | S | A | -1.2709 | |
| 480 | I | A | 0.0000 | |
| 481 | R | A | -1.7727 | |
| 482 | N | A | -2.6378 | |
| 483 | E | A | -3.0328 | |
| 484 | T | A | -1.8670 | |
| 485 | Y | A | 0.0000 | |
| 486 | D | A | -1.3999 | |
| 487 | H | A | -1.0266 | |
| 488 | N | A | -1.2427 | |
| 489 | V | A | 0.4249 | |
| 490 | Y | A | -0.6465 | |
| 491 | R | A | -1.3732 | |
| 492 | D | A | -2.2541 | |
| 493 | E | A | -2.4674 | |
| 494 | A | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | N | A | -2.0037 | |
| 497 | N | A | -1.5531 | |
| 498 | R | A | -0.9841 | |
| 499 | F | A | -0.5570 | |
| 500 | Q | A | -0.7480 | |
| 501 | I | A | 0.8261 | |
| 1 | K | B | -2.7255 | |
| 2 | R | B | -3.0966 | |
| 3 | P | B | -2.4597 | |
| 4 | G | B | -2.8142 | |
| 5 | N | B | -3.1034 | |
| 6 | D | B | -3.4367 | |
| 7 | N | B | -3.2969 | |
| 8 | S | B | -2.2177 | |
| 9 | T | B | -1.8624 | |
| 10 | A | B | 0.0000 | |
| 11 | T | B | -0.9054 | |
| 12 | L | B | 0.0000 | |
| 13 | C | B | -0.6582 | |
| 14 | L | B | 0.0000 | |
| 15 | G | B | 0.0000 | |
| 16 | H | B | 0.0000 | |
| 17 | H | B | 0.0000 | |
| 18 | A | B | 0.0000 | |
| 19 | V | B | -0.9315 | |
| 20 | P | B | -1.2697 | |
| 21 | N | B | -1.5761 | |
| 22 | G | B | -1.0211 | |
| 23 | T | B | -0.7992 | |
| 24 | I | B | -0.5606 | |
| 25 | V | B | 0.0000 | |
| 26 | K | B | -1.7593 | |
| 27 | T | B | 0.0000 | |
| 28 | S | B | 0.0000 | |
| 29 | T | B | 0.0000 | |
| 30 | N | B | -2.5755 | |
| 31 | D | B | -2.5961 | |
| 32 | R | B | -2.5577 | |
| 33 | I | B | 0.0000 | |
| 34 | E | B | -1.2160 | |
| 35 | V | B | 0.0000 | |
| 36 | T | B | 0.0000 | |
| 37 | N | B | -1.5384 | |
| 38 | A | B | -0.8810 | |
| 39 | T | B | -0.7655 | |
| 40 | E | B | -0.8909 | |
| 41 | L | B | 0.0000 | |
| 42 | L | B | 0.0000 | |
| 43 | L | B | 0.0000 | |
| 44 | N | B | -1.4734 | |
| 45 | S | B | -0.7285 | |
| 46 | S | B | -0.2559 | |
| 47 | I | B | 0.3812 | |
| 48 | G | B | -0.3459 | |
| 49 | K | B | -1.3400 | |
| 50 | I | B | 0.0000 | |
| 51 | C | B | 0.0000 | |
| 52 | N | B | -2.0471 | |
| 53 | S | B | -1.8860 | |
| 54 | P | B | -1.2519 | |
| 55 | Y | B | 0.0000 | |
| 56 | Q | B | -1.6696 | |
| 57 | I | B | -0.9179 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -1.0943 | |
| 60 | G | B | 0.0000 | |
| 61 | G | B | -1.3031 | |
| 62 | N | B | -1.3140 | |
| 63 | C | B | 0.0000 | |
| 64 | T | B | -0.6833 | |
| 65 | L | B | 0.0000 | |
| 66 | I | B | 0.0000 | |
| 67 | D | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | L | B | 0.0000 | |
| 70 | L | B | 0.0000 | |
| 71 | G | B | 0.0000 | |
| 72 | D | B | 0.0000 | |
| 73 | P | B | 0.0000 | |
| 74 | Q | B | -1.4614 | |
| 75 | C | B | 0.0000 | |
| 76 | D | B | -1.9742 | |
| 77 | G | B | -1.4946 | |
| 78 | F | B | -1.6879 | |
| 79 | Q | B | -2.1372 | |
| 80 | N | B | -2.9170 | |
| 81 | K | B | -2.4918 | |
| 82 | E | B | -2.7950 | |
| 83 | W | B | 0.0000 | |
| 84 | D | B | 0.0000 | |
| 85 | L | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | V | B | 0.0000 | |
| 88 | E | B | 0.0000 | |
| 89 | R | B | -2.0635 | |
| 90 | S | B | -1.9454 | |
| 91 | R | B | -2.4455 | |
| 92 | A | B | -1.3538 | |
| 93 | S | B | -0.8984 | |
| 94 | S | B | -0.2968 | |
| 95 | S | B | -0.8143 | |
| 96 | C | B | 0.0000 | |
| 97 | Y | B | 0.0000 | |
| 98 | P | B | 0.0000 | |
| 99 | Y | B | -0.2927 | |
| 100 | D | B | -0.8673 | |
| 101 | V | B | 0.0000 | |
| 102 | P | B | -0.8659 | |
| 103 | D | B | -1.6211 | |
| 104 | V | B | -0.4113 | |
| 105 | A | B | -0.4728 | |
| 106 | S | B | 0.0000 | |
| 107 | L | B | 0.0000 | |
| 108 | R | B | -0.3560 | |
| 109 | S | B | 0.0000 | |
| 110 | L | B | 0.0000 | |
| 111 | V | B | 0.0000 | |
| 112 | A | B | 0.0000 | |
| 113 | S | B | -0.4599 | |
| 114 | S | B | 0.0000 | |
| 115 | G | B | 0.0000 | |
| 116 | T | B | 0.0000 | |
| 117 | L | B | 0.0000 | |
| 118 | E | B | -2.5292 | |
| 119 | F | B | -2.3085 | |
| 120 | K | B | -3.1919 | |
| 121 | R | B | -3.1487 | |
| 122 | E | B | -2.2916 | |
| 123 | S | B | -1.3404 | |
| 124 | F | B | 0.0000 | |
| 125 | N | B | -1.6072 | |
| 126 | W | B | 0.0000 | |
| 127 | T | B | -0.8504 | |
| 128 | G | B | -0.2338 | |
| 129 | V | B | 0.0000 | |
| 130 | K | B | -1.3153 | |
| 131 | Q | B | -1.7467 | |
| 132 | N | B | -1.8766 | |
| 133 | G | B | -1.1264 | |
| 134 | T | B | -1.0660 | |
| 135 | S | B | -0.7391 | |
| 136 | S | B | -1.5363 | |
| 137 | A | B | -1.3921 | |
| 138 | C | B | 0.0000 | |
| 139 | K | B | -2.9640 | |
| 140 | R | B | -2.5532 | |
| 141 | G | B | -1.9660 | |
| 142 | S | B | -2.0086 | |
| 143 | E | B | -2.9047 | |
| 144 | S | B | -2.0900 | |
| 145 | S | B | -1.7195 | |
| 146 | F | B | 0.0000 | |
| 147 | F | B | 0.0000 | |
| 148 | S | B | -0.7337 | |
| 149 | R | B | -0.8698 | |
| 150 | L | B | 0.0000 | |
| 151 | N | B | 0.0000 | |
| 152 | W | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | T | B | 0.0000 | |
| 155 | S | B | 0.3725 | |
| 156 | L | B | 0.5180 | |
| 157 | A | B | 0.2238 | |
| 158 | N | B | 0.1327 | |
| 159 | V | B | 1.1998 | |
| 160 | Y | B | 0.0000 | |
| 161 | P | B | 0.1008 | |
| 162 | A | B | -0.2702 | |
| 163 | E | B | 0.0000 | |
| 164 | N | B | -1.5271 | |
| 165 | V | B | 0.0000 | |
| 166 | T | B | -0.5195 | |
| 167 | M | B | 0.0000 | |
| 168 | P | B | -0.7498 | |
| 169 | N | B | 0.0000 | |
| 170 | K | B | -2.4812 | |
| 171 | E | B | -2.1088 | |
| 172 | Q | B | -1.8842 | |
| 173 | F | B | -1.0626 | |
| 174 | D | B | -1.4511 | |
| 175 | K | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | Y | B | 0.0000 | |
| 178 | I | B | 0.0000 | |
| 179 | R | B | 0.0000 | |
| 180 | G | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | H | B | 0.0000 | |
| 183 | H | B | 0.0000 | |
| 184 | P | B | 0.0000 | |
| 185 | R | B | -1.9054 | |
| 186 | T | B | -1.9337 | |
| 187 | D | B | -2.5935 | |
| 188 | K | B | -2.4567 | |
| 189 | N | B | -1.6885 | |
| 190 | Q | B | 0.0000 | |
| 191 | F | B | 0.2875 | |
| 192 | S | B | -0.1883 | |
| 193 | L | B | 0.1730 | |
| 194 | F | B | 0.0000 | |
| 195 | A | B | 0.5487 | |
| 196 | Q | B | -0.1558 | |
| 197 | S | B | -0.5956 | |
| 198 | S | B | -0.2946 | |
| 199 | G | B | 0.0000 | |
| 200 | R | B | -0.4443 | |
| 201 | I | B | 0.0000 | |
| 202 | T | B | 0.0000 | |
| 203 | V | B | 0.0000 | |
| 204 | S | B | 0.0000 | |
| 205 | T | B | 0.0000 | |
| 206 | K | B | -1.5991 | |
| 207 | R | B | -1.2197 | |
| 208 | S | B | -0.8759 | |
| 209 | Q | B | -0.7712 | |
| 210 | Q | B | -0.5284 | |
| 211 | A | B | -0.1388 | |
| 212 | E | B | -0.0607 | |
| 213 | I | B | 0.8357 | |
| 214 | P | B | 0.0000 | |
| 215 | N | B | 0.0334 | |
| 216 | I | B | -0.6055 | |
| 217 | G | B | 0.0000 | |
| 218 | S | B | -0.9989 | |
| 219 | R | B | 0.0000 | |
| 220 | P | B | 0.0000 | |
| 221 | R | B | -2.8468 | |
| 222 | I | B | -2.3864 | |
| 223 | R | B | -2.9945 | |
| 224 | D | B | -3.1364 | |
| 225 | I | B | -1.9509 | |
| 226 | P | B | -1.7384 | |
| 227 | S | B | 0.0000 | |
| 228 | R | B | 0.0000 | |
| 229 | I | B | 0.0000 | |
| 230 | S | B | 0.0000 | |
| 231 | I | B | 0.0000 | |
| 232 | Y | B | -0.0451 | |
| 233 | W | B | 0.2910 | |
| 234 | T | B | 0.0000 | |
| 235 | I | B | -0.1703 | |
| 236 | V | B | 0.0000 | |
| 237 | K | B | -1.9956 | |
| 238 | P | B | -1.7352 | |
| 239 | G | B | -1.5887 | |
| 240 | D | B | 0.0000 | |
| 241 | L | B | -0.5592 | |
| 242 | L | B | 0.0000 | |
| 243 | L | B | 0.0000 | |
| 244 | I | B | 0.0000 | |
| 245 | N | B | -0.7479 | |
| 246 | S | B | 0.0000 | |
| 247 | T | B | -0.5342 | |
| 248 | G | B | 0.0000 | |
| 249 | N | B | 0.0000 | |
| 250 | L | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | A | B | 0.0000 | |
| 253 | P | B | 0.0000 | |
| 254 | R | B | -1.5524 | |
| 255 | G | B | 0.0000 | |
| 256 | Y | B | 0.0000 | |
| 257 | F | B | 0.0000 | |
| 258 | K | B | -1.1829 | |
| 259 | I | B | -0.6591 | |
| 260 | R | B | -1.1613 | |
| 261 | S | B | -0.9540 | |
| 262 | G | B | -1.0438 | |
| 263 | K | B | -1.1353 | |
| 264 | E | B | 0.0000 | |
| 265 | S | B | 0.0000 | |
| 266 | I | B | 0.0507 | |
| 267 | M | B | 0.0000 | |
| 268 | R | B | -1.6312 | |
| 269 | S | B | 0.0000 | |
| 270 | D | B | -2.6670 | |
| 271 | A | B | -1.3924 | |
| 272 | P | B | -0.9842 | |
| 273 | I | B | -0.7603 | |
| 274 | G | B | -1.3045 | |
| 275 | K | B | -2.2492 | |
| 276 | C | B | -1.6895 | |
| 277 | K | B | -2.3808 | |
| 278 | S | B | 0.0000 | |
| 279 | E | B | -1.1477 | |
| 280 | R | B | 0.0000 | |
| 281 | I | B | 0.0000 | |
| 282 | T | B | 0.0000 | |
| 283 | P | B | -1.0245 | |
| 284 | G | B | -0.9401 | |
| 285 | G | B | 0.0000 | |
| 286 | S | B | 0.0000 | |
| 287 | I | B | 0.0000 | |
| 288 | P | B | 0.1191 | |
| 289 | V | B | 0.6398 | |
| 290 | D | B | -0.8093 | |
| 291 | K | B | -0.9759 | |
| 292 | P | B | 0.0000 | |
| 293 | F | B | 0.0000 | |
| 294 | Q | B | 0.0000 | |
| 295 | N | B | -1.2922 | |
| 296 | V | B | -0.7593 | |
| 297 | N | B | -0.8437 | |
| 298 | R | B | -1.1550 | |
| 299 | I | B | -0.6517 | |
| 300 | T | B | -0.4048 | |
| 301 | Y | B | 0.0000 | |
| 302 | G | B | 0.0000 | |
| 303 | A | B | -1.2309 | |
| 304 | C | B | 0.0000 | |
| 305 | P | B | 0.0000 | |
| 306 | R | B | -0.7780 | |
| 307 | Y | B | -0.7098 | |
| 308 | L | B | 0.0000 | |
| 309 | K | B | -1.9290 | |
| 310 | L | B | -1.0322 | |
| 311 | S | B | -0.7969 | |
| 312 | T | B | -0.8349 | |
| 313 | L | B | 0.0000 | |
| 314 | K | B | -1.0679 | |
| 315 | L | B | 0.0000 | |
| 316 | A | B | 0.0000 | |
| 317 | T | B | -0.6394 | |
| 318 | G | B | 0.0000 | |
| 319 | M | B | 0.0000 | |
| 320 | R | B | -0.4286 | |
| 321 | N | B | 0.0000 | |
| 322 | V | B | -0.7638 | |
| 323 | P | B | -2.0923 | |
| 324 | E | B | -3.1928 | |
| 325 | K | B | -3.2774 | |
| 326 | Q | B | -3.0295 | |
| 327 | T | B | -2.0855 | |
| 328 | R | B | -1.9960 | |
| 329 | G | B | -0.9026 | |
| 330 | I | B | 0.9046 | |
| 331 | F | B | 0.3642 | |
| 332 | G | B | 0.0717 | |
| 333 | A | B | 0.1726 | |
| 334 | I | B | 0.2216 | |
| 335 | A | B | 0.0000 | |
| 336 | G | B | -0.5900 | |
| 337 | F | B | 0.0000 | |
| 338 | I | B | 0.0000 | |
| 339 | E | B | 0.1253 | |
| 340 | N | B | 0.0000 | |
| 341 | G | B | 0.0000 | |
| 342 | V | B | -1.2054 | |
| 343 | E | B | -1.9444 | |
| 344 | G | B | -1.2397 | |
| 345 | M | B | 0.0000 | |
| 346 | V | B | 0.5142 | |
| 347 | D | B | -0.7416 | |
| 348 | G | B | 0.0000 | |
| 349 | W | B | 0.3840 | |
| 350 | Y | B | 0.0000 | |
| 351 | G | B | 0.0000 | |
| 352 | F | B | 0.0000 | |
| 353 | R | B | -1.9066 | |
| 354 | H | B | -2.2374 | |
| 355 | Q | B | -2.8186 | |
| 356 | N | B | -3.2716 | |
| 357 | S | B | -3.3138 | |
| 358 | E | B | -3.3193 | |
| 359 | G | B | -2.6988 | |
| 360 | R | B | -3.2808 | |
| 361 | G | B | -2.2995 | |
| 362 | Q | B | -1.5971 | |
| 363 | A | B | -0.6257 | |
| 364 | A | B | -0.3411 | |
| 365 | D | B | 0.0000 | |
| 366 | L | B | 0.1017 | |
| 367 | K | B | -1.2426 | |
| 368 | S | B | 0.0000 | |
| 369 | T | B | 0.0000 | |
| 370 | Q | B | -1.1190 | |
| 371 | A | B | -1.1581 | |
| 372 | A | B | 0.0000 | |
| 373 | I | B | -1.1556 | |
| 374 | D | B | -2.3669 | |
| 375 | Q | B | -1.7792 | |
| 376 | I | B | 0.0000 | |
| 377 | N | B | -2.1897 | |
| 378 | G | B | -2.1624 | |
| 379 | K | B | 0.0000 | |
| 380 | L | B | -0.9457 | |
| 381 | N | B | -1.8508 | |
| 382 | R | B | -1.3326 | |
| 383 | L | B | -0.6479 | |
| 384 | I | B | -0.5408 | |
| 385 | G | B | -1.2581 | |
| 386 | K | B | -2.0081 | |
| 387 | T | B | -1.5148 | |
| 388 | N | B | -1.9027 | |
| 389 | E | B | -2.2864 | |
| 390 | K | B | -1.4306 | |
| 391 | F | B | -0.5889 | |
| 392 | H | B | -0.4932 | |
| 393 | Q | B | -0.5800 | |
| 394 | I | B | 0.0000 | |
| 395 | E | B | -1.2557 | |
| 396 | K | B | -1.6763 | |
| 397 | E | B | -2.4045 | |
| 398 | F | B | -1.2250 | |
| 399 | S | B | -1.0928 | |
| 400 | E | B | -1.7677 | |
| 401 | V | B | -0.1105 | |
| 402 | E | B | -0.9724 | |
| 403 | G | B | 0.0000 | |
| 404 | R | B | -0.8334 | |
| 405 | V | B | -0.1435 | |
| 406 | Q | B | 0.0000 | |
| 407 | D | B | -0.9880 | |
| 408 | L | B | 0.0000 | |
| 409 | E | B | 0.0000 | |
| 410 | K | B | -1.9484 | |
| 411 | Y | B | 0.0000 | |
| 412 | V | B | 0.0000 | |
| 413 | E | B | 0.0000 | |
| 414 | D | B | -1.6821 | |
| 415 | T | B | -0.9481 | |
| 416 | K | B | -0.8220 | |
| 417 | I | B | 0.0000 | |
| 418 | D | B | -1.0616 | |
| 419 | L | B | 0.0000 | |
| 420 | W | B | 0.0000 | |
| 421 | S | B | -0.6685 | |
| 422 | Y | B | -0.2658 | |
| 423 | N | B | 0.0000 | |
| 424 | A | B | 0.0000 | |
| 425 | E | B | -0.5400 | |
| 426 | L | B | 0.0000 | |
| 427 | L | B | 0.0000 | |
| 428 | V | B | 0.0000 | |
| 429 | A | B | 0.0000 | |
| 430 | L | B | 0.0000 | |
| 431 | E | B | 0.0000 | |
| 432 | N | B | 0.0000 | |
| 433 | Q | B | 0.4159 | |
| 434 | I | B | 0.8972 | |
| 435 | T | B | 0.0000 | |
| 436 | I | B | 0.9295 | |
| 437 | V | B | 1.7794 | |
| 438 | L | B | 0.0000 | |
| 439 | T | B | 0.0000 | |
| 440 | D | B | 0.1722 | |
| 441 | T | B | 0.0870 | |
| 442 | E | B | 0.0000 | |
| 443 | M | B | 0.0000 | |
| 444 | N | B | -0.9795 | |
| 445 | K | B | -1.2042 | |
| 446 | L | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | E | B | -1.7136 | |
| 449 | K | B | -1.9249 | |
| 450 | T | B | 0.0000 | |
| 451 | K | B | -1.7347 | |
| 452 | K | B | -1.3663 | |
| 453 | Q | B | -1.7482 | |
| 454 | L | B | 0.0000 | |
| 455 | R | B | -1.1368 | |
| 456 | E | B | -0.8767 | |
| 457 | N | B | 0.0000 | |
| 458 | A | B | 0.0000 | |
| 459 | E | B | 0.0000 | |
| 460 | D | B | -0.6234 | |
| 461 | M | B | -0.2675 | |
| 462 | G | B | -0.4504 | |
| 463 | N | B | -0.0843 | |
| 464 | G | B | 0.0000 | |
| 465 | C | B | 0.0000 | |
| 466 | F | B | 0.0000 | |
| 467 | K | B | -0.5684 | |
| 468 | I | B | 0.0000 | |
| 469 | Y | B | -0.7184 | |
| 470 | L | B | 0.0000 | |
| 471 | K | B | -2.6970 | |
| 472 | C | B | 0.0000 | |
| 473 | D | B | -2.3602 | |
| 474 | N | B | -1.9176 | |
| 475 | V | B | 0.6380 | |
| 476 | C | B | 0.0000 | |
| 477 | I | B | 0.0000 | |
| 478 | G | B | -0.9541 | |
| 479 | S | B | -1.3020 | |
| 480 | I | B | 0.0000 | |
| 481 | R | B | -1.7959 | |
| 482 | N | B | -2.6488 | |
| 483 | E | B | -3.0812 | |
| 484 | T | B | -1.9033 | |
| 485 | Y | B | 0.0000 | |
| 486 | D | B | -1.5210 | |
| 487 | H | B | 0.0000 | |
| 488 | N | B | -1.1822 | |
| 489 | V | B | 0.5155 | |
| 490 | Y | B | -0.4133 | |
| 491 | R | B | -1.1714 | |
| 492 | D | B | -1.9602 | |
| 493 | E | B | -1.8472 | |
| 494 | A | B | 0.0000 | |
| 495 | L | B | 0.0000 | |
| 496 | N | B | -1.7616 | |
| 497 | N | B | -1.3179 | |
| 498 | R | B | -0.8424 | |
| 499 | F | B | -0.5236 | |
| 500 | Q | B | -0.7134 | |
| 501 | I | B | 0.7876 | |
| 1 | K | C | -2.7547 | |
| 2 | R | C | -3.1410 | |
| 3 | P | C | -2.5144 | |
| 4 | G | C | -2.9292 | |
| 5 | N | C | -3.1405 | |
| 6 | D | C | -3.4528 | |
| 7 | N | C | -3.2716 | |
| 8 | S | C | -2.2873 | |
| 9 | T | C | -1.8307 | |
| 10 | A | C | 0.0000 | |
| 11 | T | C | -0.7188 | |
| 12 | L | C | 0.0000 | |
| 13 | C | C | -0.5071 | |
| 14 | L | C | 0.0000 | |
| 15 | G | C | 0.0000 | |
| 16 | H | C | 0.0000 | |
| 17 | H | C | 0.0000 | |
| 18 | A | C | 0.0000 | |
| 19 | V | C | -1.0721 | |
| 20 | P | C | -1.2940 | |
| 21 | N | C | -1.6129 | |
| 22 | G | C | -1.0368 | |
| 23 | T | C | -0.6077 | |
| 24 | I | C | 0.0489 | |
| 25 | V | C | 0.0000 | |
| 26 | K | C | -1.4867 | |
| 27 | T | C | 0.0000 | |
| 28 | S | C | 0.0000 | |
| 29 | T | C | 0.0000 | |
| 30 | N | C | -2.3232 | |
| 31 | D | C | -1.9378 | |
| 32 | R | C | -2.1266 | |
| 33 | I | C | 0.0000 | |
| 34 | E | C | -1.2527 | |
| 35 | V | C | 0.0000 | |
| 36 | T | C | 0.0000 | |
| 37 | N | C | -1.5665 | |
| 38 | A | C | -0.7503 | |
| 39 | T | C | -0.6853 | |
| 40 | E | C | -0.7401 | |
| 41 | L | C | 0.0000 | |
| 42 | L | C | 0.0000 | |
| 43 | L | C | 0.0000 | |
| 44 | N | C | -1.4694 | |
| 45 | S | C | -0.7420 | |
| 46 | S | C | -0.3381 | |
| 47 | I | C | 0.3108 | |
| 48 | G | C | -0.4139 | |
| 49 | K | C | -1.3210 | |
| 50 | I | C | 0.0000 | |
| 51 | C | C | 0.0000 | |
| 52 | N | C | -1.6596 | |
| 53 | S | C | -1.7171 | |
| 54 | P | C | -1.2184 | |
| 55 | Y | C | 0.0000 | |
| 56 | Q | C | -1.6417 | |
| 57 | I | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -1.1607 | |
| 60 | G | C | 0.0000 | |
| 61 | G | C | -1.2994 | |
| 62 | N | C | -1.3037 | |
| 63 | C | C | 0.0000 | |
| 64 | T | C | -0.7589 | |
| 65 | L | C | 0.0000 | |
| 66 | I | C | 0.0000 | |
| 67 | D | C | 0.0000 | |
| 68 | A | C | 0.0000 | |
| 69 | L | C | 0.0000 | |
| 70 | L | C | 0.0000 | |
| 71 | G | C | 0.0000 | |
| 72 | D | C | 0.0000 | |
| 73 | P | C | -1.6717 | |
| 74 | Q | C | -1.5775 | |
| 75 | C | C | 0.0000 | |
| 76 | D | C | -2.0175 | |
| 77 | G | C | -1.5592 | |
| 78 | F | C | -1.9022 | |
| 79 | Q | C | -2.6083 | |
| 80 | N | C | -3.1792 | |
| 81 | K | C | -2.7291 | |
| 82 | E | C | -2.9577 | |
| 83 | W | C | 0.0000 | |
| 84 | D | C | -1.1575 | |
| 85 | L | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | V | C | 0.0000 | |
| 88 | E | C | 0.0000 | |
| 89 | R | C | -2.2877 | |
| 90 | S | C | -2.1122 | |
| 91 | R | C | -2.4495 | |
| 92 | A | C | -1.3645 | |
| 93 | S | C | -0.9495 | |
| 94 | S | C | -0.3185 | |
| 95 | S | C | -0.6716 | |
| 96 | C | C | 0.0000 | |
| 97 | Y | C | 0.0000 | |
| 98 | P | C | 0.0000 | |
| 99 | Y | C | -0.1030 | |
| 100 | D | C | -0.6038 | |
| 101 | V | C | 0.0000 | |
| 102 | P | C | -0.7928 | |
| 103 | D | C | -1.4930 | |
| 104 | V | C | -0.1518 | |
| 105 | A | C | -0.4468 | |
| 106 | S | C | 0.0000 | |
| 107 | L | C | 0.0000 | |
| 108 | R | C | -0.1864 | |
| 109 | S | C | -0.3465 | |
| 110 | L | C | 0.0000 | |
| 111 | V | C | 0.0000 | |
| 112 | A | C | 0.0000 | |
| 113 | S | C | -0.5007 | |
| 114 | S | C | 0.0000 | |
| 115 | G | C | 0.0000 | |
| 116 | T | C | 0.0000 | |
| 117 | L | C | 0.0000 | |
| 118 | E | C | -2.6929 | |
| 119 | F | C | -2.3327 | |
| 120 | K | C | -3.0968 | |
| 121 | R | C | -2.9538 | |
| 122 | E | C | -1.9768 | |
| 123 | S | C | -1.1128 | |
| 124 | F | C | -0.9570 | |
| 125 | N | C | -1.4789 | |
| 126 | W | C | 0.0000 | |
| 127 | T | C | -0.7902 | |
| 128 | G | C | -0.1701 | |
| 129 | V | C | 0.0000 | |
| 130 | K | C | -1.1395 | |
| 131 | Q | C | -1.6344 | |
| 132 | N | C | -1.8295 | |
| 133 | G | C | -1.1159 | |
| 134 | T | C | -1.0627 | |
| 135 | S | C | -0.7385 | |
| 136 | S | C | -1.5299 | |
| 137 | A | C | -1.2340 | |
| 138 | C | C | 0.0000 | |
| 139 | K | C | -3.4249 | |
| 140 | R | C | -3.4360 | |
| 141 | G | C | -2.4167 | |
| 142 | S | C | -2.2622 | |
| 143 | E | C | -3.1855 | |
| 144 | S | C | -2.3280 | |
| 145 | S | C | -1.9969 | |
| 146 | F | C | 0.0000 | |
| 147 | F | C | 0.0000 | |
| 148 | S | C | -0.7633 | |
| 149 | R | C | 0.0000 | |
| 150 | L | C | 0.0000 | |
| 151 | N | C | 0.0000 | |
| 152 | W | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | T | C | 0.0000 | |
| 155 | S | C | 0.4524 | |
| 156 | L | C | 0.6999 | |
| 157 | A | C | 0.3048 | |
| 158 | N | C | 0.1478 | |
| 159 | V | C | 1.2637 | |
| 160 | Y | C | 0.0000 | |
| 161 | P | C | 0.1178 | |
| 162 | A | C | -0.2712 | |
| 163 | E | C | 0.0000 | |
| 164 | N | C | -1.5204 | |
| 165 | V | C | 0.0000 | |
| 166 | T | C | -0.4468 | |
| 167 | M | C | -0.2882 | |
| 168 | P | C | -0.7139 | |
| 169 | N | C | 0.0000 | |
| 170 | K | C | -2.5736 | |
| 171 | E | C | -2.3207 | |
| 172 | Q | C | -2.1068 | |
| 173 | F | C | -1.4284 | |
| 174 | D | C | -1.6091 | |
| 175 | K | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | Y | C | 0.0000 | |
| 178 | I | C | 0.0000 | |
| 179 | R | C | 0.0000 | |
| 180 | G | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | H | C | 0.0000 | |
| 183 | H | C | 0.0000 | |
| 184 | P | C | 0.0000 | |
| 185 | R | C | -1.5648 | |
| 186 | T | C | -1.7449 | |
| 187 | D | C | -2.4347 | |
| 188 | K | C | -2.3970 | |
| 189 | N | C | -1.6151 | |
| 190 | Q | C | 0.0000 | |
| 191 | F | C | 0.1279 | |
| 192 | S | C | -0.2598 | |
| 193 | L | C | 0.1673 | |
| 194 | F | C | 0.0000 | |
| 195 | A | C | 0.4953 | |
| 196 | Q | C | -0.1827 | |
| 197 | S | C | -0.6196 | |
| 198 | S | C | -0.3510 | |
| 199 | G | C | 0.0000 | |
| 200 | R | C | -0.4197 | |
| 201 | I | C | 0.0000 | |
| 202 | T | C | 0.0000 | |
| 203 | V | C | 0.0000 | |
| 204 | S | C | 0.0000 | |
| 205 | T | C | 0.0000 | |
| 206 | K | C | -1.7890 | |
| 207 | R | C | -1.5160 | |
| 208 | S | C | -1.0397 | |
| 209 | Q | C | -0.8768 | |
| 210 | Q | C | -0.5184 | |
| 211 | A | C | 0.0206 | |
| 212 | E | C | 0.0000 | |
| 213 | I | C | 0.9083 | |
| 214 | P | C | 0.0000 | |
| 215 | N | C | -0.0171 | |
| 216 | I | C | -0.5726 | |
| 217 | G | C | 0.0000 | |
| 218 | S | C | -0.8792 | |
| 219 | R | C | 0.0000 | |
| 220 | P | C | 0.0000 | |
| 221 | R | C | -2.6007 | |
| 222 | I | C | -1.7413 | |
| 223 | R | C | -2.0475 | |
| 224 | D | C | -2.6643 | |
| 225 | I | C | -1.5820 | |
| 226 | P | C | -1.5024 | |
| 227 | S | C | 0.0000 | |
| 228 | R | C | 0.0000 | |
| 229 | I | C | 0.0000 | |
| 230 | S | C | 0.0000 | |
| 231 | I | C | 0.0000 | |
| 232 | Y | C | 0.0312 | |
| 233 | W | C | 0.2929 | |
| 234 | T | C | 0.0000 | |
| 235 | I | C | -0.2421 | |
| 236 | V | C | 0.0000 | |
| 237 | K | C | -2.2172 | |
| 238 | P | C | -1.8826 | |
| 239 | G | C | -1.6638 | |
| 240 | D | C | 0.0000 | |
| 241 | L | C | -0.5759 | |
| 242 | L | C | 0.0000 | |
| 243 | L | C | 0.0000 | |
| 244 | I | C | 0.0000 | |
| 245 | N | C | -0.7087 | |
| 246 | S | C | 0.0000 | |
| 247 | T | C | -0.5505 | |
| 248 | G | C | 0.0000 | |
| 249 | N | C | 0.0000 | |
| 250 | L | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | A | C | 0.0000 | |
| 253 | P | C | 0.0000 | |
| 254 | R | C | -1.3277 | |
| 255 | G | C | 0.0000 | |
| 256 | Y | C | 0.0000 | |
| 257 | F | C | 0.0000 | |
| 258 | K | C | -1.2856 | |
| 259 | I | C | -0.6982 | |
| 260 | R | C | -1.1595 | |
| 261 | S | C | -0.9344 | |
| 262 | G | C | -1.1056 | |
| 263 | K | C | -1.2627 | |
| 264 | E | C | 0.0000 | |
| 265 | S | C | 0.0000 | |
| 266 | I | C | -0.3298 | |
| 267 | M | C | 0.0000 | |
| 268 | R | C | -2.4655 | |
| 269 | S | C | 0.0000 | |
| 270 | D | C | -2.8431 | |
| 271 | A | C | -1.5132 | |
| 272 | P | C | -0.9990 | |
| 273 | I | C | -0.6941 | |
| 274 | G | C | -1.1901 | |
| 275 | K | C | -2.1153 | |
| 276 | C | C | -1.5774 | |
| 277 | K | C | -2.3007 | |
| 278 | S | C | 0.0000 | |
| 279 | E | C | -1.1784 | |
| 280 | R | C | 0.0000 | |
| 281 | I | C | 0.0000 | |
| 282 | T | C | 0.0000 | |
| 283 | P | C | -1.1739 | |
| 284 | G | C | -1.0525 | |
| 285 | G | C | 0.0000 | |
| 286 | S | C | 0.0000 | |
| 287 | I | C | 0.0000 | |
| 288 | P | C | 0.0993 | |
| 289 | V | C | 0.6175 | |
| 290 | D | C | -0.8375 | |
| 291 | K | C | -0.9902 | |
| 292 | P | C | 0.0000 | |
| 293 | F | C | 0.0000 | |
| 294 | Q | C | 0.0000 | |
| 295 | N | C | -1.2505 | |
| 296 | V | C | -0.7144 | |
| 297 | N | C | -0.7499 | |
| 298 | R | C | -0.9511 | |
| 299 | I | C | -0.5735 | |
| 300 | T | C | -0.2851 | |
| 301 | Y | C | 0.0000 | |
| 302 | G | C | 0.0000 | |
| 303 | A | C | -1.3862 | |
| 304 | C | C | 0.0000 | |
| 305 | P | C | 0.0000 | |
| 306 | R | C | -0.8229 | |
| 307 | Y | C | -0.6300 | |
| 308 | L | C | 0.0000 | |
| 309 | K | C | -1.9297 | |
| 310 | L | C | -1.0373 | |
| 311 | S | C | -0.7872 | |
| 312 | T | C | -0.8263 | |
| 313 | L | C | 0.0000 | |
| 314 | K | C | -0.8989 | |
| 315 | L | C | 0.0000 | |
| 316 | A | C | 0.0000 | |
| 317 | T | C | -0.6346 | |
| 318 | G | C | 0.0000 | |
| 319 | M | C | 0.0000 | |
| 320 | R | C | -1.1337 | |
| 321 | N | C | 0.0000 | |
| 322 | V | C | -1.1383 | |
| 323 | P | C | -2.2274 | |
| 324 | E | C | -3.5001 | |
| 325 | K | C | -3.2848 | |
| 326 | Q | C | -3.0118 | |
| 327 | T | C | -2.0723 | |
| 328 | R | C | -2.0250 | |
| 329 | G | C | -0.9124 | |
| 330 | I | C | 1.0961 | |
| 331 | F | C | 0.3141 | |
| 332 | G | C | 0.1597 | |
| 333 | A | C | 0.0870 | |
| 334 | I | C | 0.0000 | |
| 335 | A | C | -0.1236 | |
| 336 | G | C | -0.4976 | |
| 337 | F | C | 0.0000 | |
| 338 | I | C | 0.0000 | |
| 339 | E | C | 0.0000 | |
| 340 | N | C | -1.0569 | |
| 341 | G | C | 0.0000 | |
| 342 | V | C | 0.0000 | |
| 343 | E | C | -2.0649 | |
| 344 | G | C | -1.3337 | |
| 345 | M | C | 0.0000 | |
| 346 | V | C | 0.4805 | |
| 347 | D | C | -0.7416 | |
| 348 | G | C | 0.0000 | |
| 349 | W | C | 0.3552 | |
| 350 | Y | C | 0.0000 | |
| 351 | G | C | 0.0000 | |
| 352 | F | C | 0.0000 | |
| 353 | R | C | -1.6359 | |
| 354 | H | C | -1.9542 | |
| 355 | Q | C | -2.3412 | |
| 356 | N | C | 0.0000 | |
| 357 | S | C | -3.0743 | |
| 358 | E | C | -3.1227 | |
| 359 | G | C | -2.5391 | |
| 360 | R | C | -3.1129 | |
| 361 | G | C | -2.2292 | |
| 362 | Q | C | -1.6750 | |
| 363 | A | C | -0.6745 | |
| 364 | A | C | -0.3580 | |
| 365 | D | C | 0.0000 | |
| 366 | L | C | 0.0953 | |
| 367 | K | C | -1.2440 | |
| 368 | S | C | 0.0000 | |
| 369 | T | C | 0.0000 | |
| 370 | Q | C | -1.1159 | |
| 371 | A | C | -1.0305 | |
| 372 | A | C | 0.0000 | |
| 373 | I | C | -1.0262 | |
| 374 | D | C | -2.2330 | |
| 375 | Q | C | -1.8331 | |
| 376 | I | C | 0.0000 | |
| 377 | N | C | -1.7924 | |
| 378 | G | C | -2.3401 | |
| 379 | K | C | 0.0000 | |
| 380 | L | C | -0.8170 | |
| 381 | N | C | -1.9877 | |
| 382 | R | C | -1.5615 | |
| 383 | L | C | -0.6133 | |
| 384 | I | C | -0.5426 | |
| 385 | G | C | -1.2303 | |
| 386 | K | C | -2.1019 | |
| 387 | T | C | -1.7259 | |
| 388 | N | C | -2.2334 | |
| 389 | E | C | -2.4874 | |
| 390 | K | C | -1.4310 | |
| 391 | F | C | -0.5998 | |
| 392 | H | C | -0.5988 | |
| 393 | Q | C | -0.7349 | |
| 394 | I | C | 0.0000 | |
| 395 | E | C | -1.7612 | |
| 396 | K | C | 0.0000 | |
| 397 | E | C | -2.4902 | |
| 398 | F | C | -1.2488 | |
| 399 | S | C | -0.8803 | |
| 400 | E | C | -1.2314 | |
| 401 | V | C | -0.1104 | |
| 402 | E | C | -1.0991 | |
| 403 | G | C | 0.0000 | |
| 404 | R | C | -0.6578 | |
| 405 | V | C | -0.1592 | |
| 406 | Q | C | 0.0000 | |
| 407 | D | C | -0.8415 | |
| 408 | L | C | 0.0000 | |
| 409 | E | C | 0.0000 | |
| 410 | K | C | -1.9515 | |
| 411 | Y | C | 0.0000 | |
| 412 | V | C | 0.0000 | |
| 413 | E | C | 0.0000 | |
| 414 | D | C | -2.0613 | |
| 415 | T | C | -1.1108 | |
| 416 | K | C | -0.9437 | |
| 417 | I | C | 0.0000 | |
| 418 | D | C | -1.0562 | |
| 419 | L | C | 0.0000 | |
| 420 | W | C | 0.0000 | |
| 421 | S | C | -0.6984 | |
| 422 | Y | C | -0.3139 | |
| 423 | N | C | 0.0000 | |
| 424 | A | C | 0.0000 | |
| 425 | E | C | -0.8230 | |
| 426 | L | C | 0.0000 | |
| 427 | L | C | 0.0000 | |
| 428 | V | C | 0.0000 | |
| 429 | A | C | 0.0000 | |
| 430 | L | C | 0.0000 | |
| 431 | E | C | 0.0000 | |
| 432 | N | C | 0.0000 | |
| 433 | Q | C | 0.3537 | |
| 434 | I | C | 0.8474 | |
| 435 | T | C | 0.0000 | |
| 436 | I | C | 0.6676 | |
| 437 | V | C | 1.5331 | |
| 438 | L | C | 0.0000 | |
| 439 | T | C | 0.0000 | |
| 440 | D | C | -0.0039 | |
| 441 | T | C | 0.0410 | |
| 442 | E | C | 0.0000 | |
| 443 | M | C | 0.0000 | |
| 444 | N | C | -0.8926 | |
| 445 | K | C | -1.1070 | |
| 446 | L | C | 0.0000 | |
| 447 | F | C | 0.0000 | |
| 448 | E | C | -1.5180 | |
| 449 | K | C | -1.8834 | |
| 450 | T | C | 0.0000 | |
| 451 | K | C | -1.7431 | |
| 452 | K | C | -1.3076 | |
| 453 | Q | C | -1.6957 | |
| 454 | L | C | 0.0000 | |
| 455 | R | C | -0.9742 | |
| 456 | E | C | 0.0000 | |
| 457 | N | C | 0.0000 | |
| 458 | A | C | 0.0000 | |
| 459 | E | C | 0.0000 | |
| 460 | D | C | -0.7276 | |
| 461 | M | C | -0.2919 | |
| 462 | G | C | -0.5033 | |
| 463 | N | C | -0.0474 | |
| 464 | G | C | 0.0000 | |
| 465 | C | C | 0.0000 | |
| 466 | F | C | 0.0000 | |
| 467 | K | C | -0.5757 | |
| 468 | I | C | 0.0000 | |
| 469 | Y | C | -0.8426 | |
| 470 | L | C | 0.0000 | |
| 471 | K | C | -2.5636 | |
| 472 | C | C | 0.0000 | |
| 473 | D | C | -1.8336 | |
| 474 | N | C | -1.6223 | |
| 475 | V | C | 0.7764 | |
| 476 | C | C | 0.0000 | |
| 477 | I | C | 0.0000 | |
| 478 | G | C | -0.9096 | |
| 479 | S | C | -1.3047 | |
| 480 | I | C | 0.0000 | |
| 481 | R | C | -1.8536 | |
| 482 | N | C | -2.6766 | |
| 483 | E | C | -3.0782 | |
| 484 | T | C | -1.8854 | |
| 485 | Y | C | 0.0000 | |
| 486 | D | C | -1.4357 | |
| 487 | H | C | -1.0223 | |
| 488 | N | C | -1.2304 | |
| 489 | V | C | 0.4504 | |
| 490 | Y | C | -0.5714 | |
| 491 | R | C | -1.2862 | |
| 492 | D | C | -2.1511 | |
| 493 | E | C | -2.2963 | |
| 494 | A | C | 0.0000 | |
| 495 | L | C | 0.0000 | |
| 496 | N | C | -1.7277 | |
| 497 | N | C | -1.6111 | |
| 498 | R | C | -0.9655 | |
| 499 | F | C | -0.5466 | |
| 500 | Q | C | -0.7314 | |
| 501 | I | C | 0.7863 |
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 | -0.72 | 2.3212 | View | CSV | PDB |
| 4.5 | -0.771 | 2.2373 | View | CSV | PDB |
| 5.0 | -0.8314 | 2.1478 | View | CSV | PDB |
| 5.5 | -0.8908 | 2.0562 | View | CSV | PDB |
| 6.0 | -0.9379 | 1.9641 | View | CSV | PDB |
| 6.5 | -0.9634 | 1.872 | View | CSV | PDB |
| 7.0 | -0.9662 | 1.8741 | View | CSV | PDB |
| 7.5 | -0.9532 | 1.9366 | View | CSV | PDB |
| 8.0 | -0.9311 | 2.0021 | View | CSV | PDB |
| 8.5 | -0.9014 | 2.0683 | View | CSV | PDB |
| 9.0 | -0.8634 | 2.1344 | 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