| Chain sequence(s) | MAELTVEVRGSNGAFYKGFIKDVHEDSLTVVFENNWQPERQVPFNEVRLPPPPDIKKEISEGDEVEVYSRANDQEPCGWWLAKVRMMKGEFYVIEYAACDATYNEIVTFERLRPVNQNKTVKKNTFFKCTVDVPEDLREACANENAHKDFKKAVGACRIFYHPETTQLMILSASEATVKRVNILSDMHLRSIRTKLMLMSRNEEATKHLECTKQLAAAFHEEFVVREDLMGLAIGTHGSNIQQARKVPGVTAIELDEDTGTFRIYGESAEAVKKARGFLEFVEDFIQVPRNLVGKVIGKNGKVIQEIVDKSGVVRVRIEGDNENKLPREDGMVPFVFVGTKESIGNVQVLLEYHIAYLKEVEQLRMERLQIDEQLRQIGMGFRPSSTRGPEREKGYATDESTVSSVQGSRSYSGRGRGRRGPNYTSGYGTNSELSNPSETESERKDELSDWSLAGEDDRETRHQRDSRRRPGGRGRSVSGGRGRGGPRGGKSSISSVLKDPDSNPYSLLDNTESDQTADTDASESHHSTNRRRRSRRRRTDEDAVLMDGLTESDTASVNENGLDDSEKKPQRRNRSRRRRFRGQAEDRQPVTVADYISRAESQSRQRNLPRETLAKNKKEMAKDVIEEHGPSEKAINGPTSASGDEIPKLPRTLGEEKTKTLKEDSTQEAAVLNGVS input PDB |
| Selected Chain(s) | A |
| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:41:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2321f9d57bd165/tmp/folded.pdb (00:41:47)
[INFO] Main: Simulation completed successfully. (00:49:34)
|
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 | |
| 1 | M | A | 0.3962 | |
| 2 | A | A | -0.3186 | |
| 3 | E | A | -1.6318 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.5980 | |
| 6 | V | A | 0.0000 | |
| 7 | E | A | 0.0000 | |
| 8 | V | A | 0.0000 | |
| 9 | R | A | -1.8553 | |
| 10 | G | A | -1.0356 | |
| 11 | S | A | -0.8371 | |
| 12 | N | A | -0.7938 | |
| 13 | G | A | -0.6620 | |
| 14 | A | A | 0.0000 | |
| 15 | F | A | -0.4225 | |
| 16 | Y | A | 0.0000 | |
| 17 | K | A | -1.0486 | |
| 18 | G | A | 0.0000 | |
| 19 | F | A | -0.7488 | |
| 20 | I | A | 0.0000 | |
| 21 | K | A | -1.3698 | |
| 22 | D | A | -0.8599 | |
| 23 | V | A | 0.0000 | |
| 24 | H | A | -2.2119 | |
| 25 | E | A | -3.3784 | |
| 26 | D | A | -3.6965 | |
| 27 | S | A | -2.7111 | |
| 28 | L | A | 0.0000 | |
| 29 | T | A | -1.3980 | |
| 30 | V | A | 0.0000 | |
| 31 | V | A | -1.5227 | |
| 32 | F | A | 0.0000 | |
| 33 | E | A | -2.3106 | |
| 34 | N | A | -2.4993 | |
| 35 | N | A | -2.4969 | |
| 36 | W | A | -1.6015 | |
| 37 | Q | A | -1.5973 | |
| 38 | P | A | -1.6757 | |
| 39 | E | A | -2.4577 | |
| 40 | R | A | -2.3686 | |
| 41 | Q | A | -2.2998 | |
| 42 | V | A | 0.0000 | |
| 43 | P | A | -2.3289 | |
| 44 | F | A | 0.0000 | |
| 45 | N | A | -2.5308 | |
| 46 | E | A | -1.7582 | |
| 47 | V | A | 0.0000 | |
| 48 | R | A | 0.0000 | |
| 49 | L | A | -0.2983 | |
| 50 | P | A | -0.2806 | |
| 51 | P | A | -0.5780 | |
| 52 | P | A | -1.0917 | |
| 53 | P | A | -1.3050 | |
| 54 | D | A | -2.2811 | |
| 55 | I | A | -1.7823 | |
| 56 | K | A | -2.9774 | |
| 57 | K | A | -2.9178 | |
| 58 | E | A | -2.8772 | |
| 59 | I | A | 0.0000 | |
| 60 | S | A | -2.1758 | |
| 61 | E | A | -2.7887 | |
| 62 | G | A | -2.3683 | |
| 63 | D | A | -2.9619 | |
| 64 | E | A | -2.8249 | |
| 65 | V | A | 0.0000 | |
| 66 | E | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | Y | A | 0.1448 | |
| 69 | S | A | 0.0000 | |
| 70 | R | A | -1.8818 | |
| 71 | A | A | -1.6270 | |
| 72 | N | A | -2.5933 | |
| 73 | D | A | -3.1310 | |
| 74 | Q | A | -2.5932 | |
| 75 | E | A | -1.9400 | |
| 76 | P | A | -1.5321 | |
| 77 | C | A | -0.6898 | |
| 78 | G | A | 0.0000 | |
| 79 | W | A | 0.2395 | |
| 80 | W | A | 0.3947 | |
| 81 | L | A | 0.2699 | |
| 82 | A | A | 0.0000 | |
| 83 | K | A | -2.3704 | |
| 84 | V | A | 0.0000 | |
| 85 | R | A | -2.0776 | |
| 86 | M | A | -0.7316 | |
| 87 | M | A | -0.6703 | |
| 88 | K | A | -1.5579 | |
| 89 | G | A | -1.4540 | |
| 90 | E | A | -1.7385 | |
| 91 | F | A | 0.5667 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | 0.1423 | |
| 94 | I | A | 0.0000 | |
| 95 | E | A | -0.7464 | |
| 96 | Y | A | 0.0000 | |
| 97 | A | A | -0.2716 | |
| 98 | A | A | -0.0323 | |
| 99 | C | A | -0.3637 | |
| 100 | D | A | -1.4109 | |
| 101 | A | A | -0.5285 | |
| 102 | T | A | -0.1452 | |
| 103 | Y | A | 0.5518 | |
| 104 | N | A | -0.1373 | |
| 105 | E | A | 0.6009 | |
| 106 | I | A | 1.6422 | |
| 107 | V | A | 0.0000 | |
| 108 | T | A | -0.1527 | |
| 109 | F | A | -0.6593 | |
| 110 | E | A | -1.9847 | |
| 111 | R | A | -0.9614 | |
| 112 | L | A | 0.0000 | |
| 113 | R | A | 0.0000 | |
| 114 | P | A | -1.2341 | |
| 115 | V | A | -0.4384 | |
| 116 | N | A | 0.0000 | |
| 117 | Q | A | -1.7253 | |
| 118 | N | A | -1.6998 | |
| 119 | K | A | -2.5261 | |
| 120 | T | A | -1.9620 | |
| 121 | V | A | 0.0000 | |
| 122 | K | A | -3.6661 | |
| 123 | K | A | -3.9513 | |
| 124 | N | A | -3.0090 | |
| 125 | T | A | -1.8008 | |
| 126 | F | A | 0.0000 | |
| 127 | F | A | -0.8763 | |
| 128 | K | A | -0.9287 | |
| 129 | C | A | -0.4123 | |
| 130 | T | A | -0.6715 | |
| 131 | V | A | -1.0882 | |
| 132 | D | A | -2.0835 | |
| 133 | V | A | 0.0000 | |
| 134 | P | A | -2.1752 | |
| 135 | E | A | -3.4265 | |
| 136 | D | A | -3.3161 | |
| 137 | L | A | 0.0000 | |
| 138 | R | A | -3.0796 | |
| 139 | E | A | -2.9814 | |
| 140 | A | A | -2.1913 | |
| 141 | C | A | 0.0000 | |
| 142 | A | A | -1.9225 | |
| 143 | N | A | -2.9947 | |
| 144 | E | A | -3.3120 | |
| 145 | N | A | -3.3376 | |
| 146 | A | A | -2.3367 | |
| 147 | H | A | 0.0000 | |
| 148 | K | A | -4.0904 | |
| 149 | D | A | -3.5251 | |
| 150 | F | A | 0.0000 | |
| 151 | K | A | -2.7640 | |
| 152 | K | A | -2.8902 | |
| 153 | A | A | -1.7608 | |
| 154 | V | A | 0.0000 | |
| 155 | G | A | -1.2691 | |
| 156 | A | A | 0.0000 | |
| 157 | C | A | -0.7667 | |
| 158 | R | A | -1.5203 | |
| 159 | I | A | 0.0000 | |
| 160 | F | A | -0.7529 | |
| 161 | Y | A | -1.1799 | |
| 162 | H | A | -0.9003 | |
| 163 | P | A | -1.4712 | |
| 164 | E | A | -2.0316 | |
| 165 | T | A | -1.4046 | |
| 166 | T | A | -1.7204 | |
| 167 | Q | A | -1.3674 | |
| 168 | L | A | 0.0000 | |
| 169 | M | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | A | A | -0.4861 | |
| 174 | S | A | -0.8706 | |
| 175 | E | A | -2.0326 | |
| 176 | A | A | -1.3302 | |
| 177 | T | A | 0.0000 | |
| 178 | V | A | -1.1984 | |
| 179 | K | A | -2.0615 | |
| 180 | R | A | -1.3832 | |
| 181 | V | A | 0.0000 | |
| 182 | N | A | -1.0832 | |
| 183 | I | A | 0.7268 | |
| 184 | L | A | 0.2552 | |
| 185 | S | A | -0.6446 | |
| 186 | D | A | -1.0688 | |
| 187 | M | A | -0.2444 | |
| 188 | H | A | 0.0000 | |
| 189 | L | A | -1.2361 | |
| 190 | R | A | -1.7158 | |
| 191 | S | A | -1.0311 | |
| 192 | I | A | 0.0000 | |
| 193 | R | A | -1.4523 | |
| 194 | T | A | 0.0000 | |
| 195 | K | A | -0.6563 | |
| 196 | L | A | -0.3619 | |
| 197 | M | A | 0.0151 | |
| 198 | L | A | -0.1983 | |
| 199 | M | A | -0.4273 | |
| 200 | S | A | -1.3232 | |
| 201 | R | A | -2.4683 | |
| 202 | N | A | -2.9198 | |
| 203 | E | A | -3.5181 | |
| 204 | E | A | -3.3288 | |
| 205 | A | A | -2.5901 | |
| 206 | T | A | -2.6004 | |
| 207 | K | A | -3.5317 | |
| 208 | H | A | -2.4487 | |
| 209 | L | A | -1.3744 | |
| 210 | E | A | -2.5679 | |
| 211 | C | A | -1.3395 | |
| 212 | T | A | -1.3232 | |
| 213 | K | A | -2.3211 | |
| 214 | Q | A | -1.8685 | |
| 215 | L | A | -0.7840 | |
| 216 | A | A | -0.6893 | |
| 217 | A | A | -0.7264 | |
| 218 | A | A | -0.6166 | |
| 219 | F | A | -0.2155 | |
| 220 | H | A | -1.4140 | |
| 221 | E | A | -1.8327 | |
| 222 | E | A | -2.1459 | |
| 223 | F | A | 0.0000 | |
| 224 | V | A | 0.7810 | |
| 225 | V | A | 0.0000 | |
| 226 | R | A | -2.1531 | |
| 227 | E | A | -3.4654 | |
| 228 | D | A | -2.9954 | |
| 229 | L | A | 0.0000 | |
| 230 | M | A | -1.2556 | |
| 231 | G | A | -0.9908 | |
| 232 | L | A | 0.2680 | |
| 233 | A | A | 0.0000 | |
| 234 | I | A | 0.0705 | |
| 235 | G | A | -0.3453 | |
| 236 | T | A | -0.5750 | |
| 237 | H | A | -1.2341 | |
| 238 | G | A | -0.8918 | |
| 239 | S | A | -1.0860 | |
| 240 | N | A | -0.9924 | |
| 241 | I | A | -0.9445 | |
| 242 | Q | A | -2.1255 | |
| 243 | Q | A | -2.0300 | |
| 244 | A | A | 0.0000 | |
| 245 | R | A | -2.1611 | |
| 246 | K | A | -2.6630 | |
| 247 | V | A | 0.0000 | |
| 248 | P | A | -1.4709 | |
| 249 | G | A | -1.4214 | |
| 250 | V | A | -1.4352 | |
| 251 | T | A | -0.6622 | |
| 252 | A | A | -0.5438 | |
| 253 | I | A | 0.0000 | |
| 254 | E | A | -2.0421 | |
| 255 | L | A | -1.7730 | |
| 256 | D | A | -2.7083 | |
| 257 | E | A | -3.5814 | |
| 258 | D | A | -3.2530 | |
| 259 | T | A | -1.8949 | |
| 260 | G | A | 0.0000 | |
| 261 | T | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | R | A | -1.9499 | |
| 264 | I | A | 0.0000 | |
| 265 | Y | A | -1.1225 | |
| 266 | G | A | 0.0000 | |
| 267 | E | A | -1.9982 | |
| 268 | S | A | -1.5769 | |
| 269 | A | A | -1.8345 | |
| 270 | E | A | -3.0602 | |
| 271 | A | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | K | A | -3.2217 | |
| 274 | K | A | -3.0506 | |
| 275 | A | A | 0.0000 | |
| 276 | R | A | -2.2172 | |
| 277 | G | A | -1.6753 | |
| 278 | F | A | -0.7963 | |
| 279 | L | A | 0.0000 | |
| 280 | E | A | 0.0000 | |
| 281 | F | A | 0.0000 | |
| 282 | V | A | -0.6710 | |
| 283 | E | A | -1.0489 | |
| 284 | D | A | -0.7275 | |
| 285 | F | A | 0.0000 | |
| 286 | I | A | -0.4656 | |
| 287 | Q | A | -1.6080 | |
| 288 | V | A | 0.0000 | |
| 289 | P | A | -1.7122 | |
| 290 | R | A | -2.5966 | |
| 291 | N | A | -2.2745 | |
| 292 | L | A | 0.0000 | |
| 293 | V | A | -1.2573 | |
| 294 | G | A | -1.9874 | |
| 295 | K | A | -2.3394 | |
| 296 | V | A | 0.0000 | |
| 297 | I | A | -1.4214 | |
| 298 | G | A | -2.4982 | |
| 299 | K | A | -3.0686 | |
| 300 | N | A | -2.7301 | |
| 301 | G | A | -2.6268 | |
| 302 | K | A | -3.2361 | |
| 303 | V | A | -2.3208 | |
| 304 | I | A | 0.0000 | |
| 305 | Q | A | -3.3214 | |
| 306 | E | A | -3.6755 | |
| 307 | I | A | 0.0000 | |
| 308 | V | A | -2.1155 | |
| 309 | D | A | -3.4608 | |
| 310 | K | A | -3.3846 | |
| 311 | S | A | 0.0000 | |
| 312 | G | A | -1.5058 | |
| 313 | V | A | 0.0000 | |
| 314 | V | A | 1.1257 | |
| 315 | R | A | -0.5796 | |
| 316 | V | A | -0.2167 | |
| 317 | R | A | -0.7731 | |
| 318 | I | A | 0.2142 | |
| 319 | E | A | -1.5343 | |
| 320 | G | A | -2.2721 | |
| 321 | D | A | -3.3366 | |
| 322 | N | A | -3.6582 | |
| 323 | E | A | -4.1025 | |
| 324 | N | A | -3.7201 | |
| 325 | K | A | -2.9599 | |
| 326 | L | A | -1.5654 | |
| 327 | P | A | -1.6641 | |
| 328 | R | A | -2.9367 | |
| 329 | E | A | -3.2298 | |
| 330 | D | A | -3.1018 | |
| 331 | G | A | -2.3463 | |
| 332 | M | A | -2.2241 | |
| 333 | V | A | -1.5073 | |
| 334 | P | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | G | A | 0.0000 | |
| 340 | T | A | -0.9044 | |
| 341 | K | A | -2.2893 | |
| 342 | E | A | -2.7406 | |
| 343 | S | A | -1.7718 | |
| 344 | I | A | 0.0000 | |
| 345 | G | A | -1.4513 | |
| 346 | N | A | -1.3603 | |
| 347 | V | A | 0.0000 | |
| 348 | Q | A | -0.8025 | |
| 349 | V | A | 0.9007 | |
| 350 | L | A | 0.0089 | |
| 351 | L | A | 0.0000 | |
| 352 | E | A | -0.6790 | |
| 353 | Y | A | 1.1495 | |
| 354 | H | A | 0.1171 | |
| 355 | I | A | -0.1853 | |
| 356 | A | A | -0.3356 | |
| 357 | Y | A | 0.0782 | |
| 358 | L | A | 0.0000 | |
| 359 | K | A | -2.4285 | |
| 360 | E | A | -2.5125 | |
| 361 | V | A | -1.3671 | |
| 362 | E | A | -2.9597 | |
| 363 | Q | A | -2.9542 | |
| 364 | L | A | -2.2521 | |
| 365 | R | A | -2.9551 | |
| 366 | M | A | -1.7713 | |
| 367 | E | A | -2.3546 | |
| 368 | R | A | -2.9206 | |
| 369 | L | A | -1.5021 | |
| 370 | Q | A | -1.9949 | |
| 371 | I | A | -1.0376 | |
| 372 | D | A | -2.2929 | |
| 373 | E | A | -2.9899 | |
| 374 | Q | A | -1.7602 | |
| 375 | L | A | -0.1666 | |
| 376 | R | A | -2.2333 | |
| 377 | Q | A | -1.3605 | |
| 378 | I | A | 1.1147 | |
| 379 | G | A | 0.1973 | |
| 380 | M | A | 0.9782 | |
| 381 | G | A | 0.4120 | |
| 382 | F | A | 1.0720 | |
| 383 | R | A | -1.1171 | |
| 384 | P | A | -0.9845 | |
| 385 | S | A | -0.8028 | |
| 386 | S | A | -0.9129 | |
| 387 | T | A | -1.2180 | |
| 388 | R | A | -2.2747 | |
| 389 | G | A | -2.0887 | |
| 390 | P | A | -2.3226 | |
| 391 | E | A | -3.3101 | |
| 392 | R | A | -4.1272 | |
| 393 | E | A | -4.1484 | |
| 394 | K | A | -2.8687 | |
| 395 | G | A | -0.9009 | |
| 396 | Y | A | 0.6966 | |
| 397 | A | A | 0.1776 | |
| 398 | T | A | -1.1641 | |
| 399 | D | A | -2.7782 | |
| 400 | E | A | -2.8593 | |
| 401 | S | A | -1.1885 | |
| 402 | T | A | 0.3373 | |
| 403 | V | A | 1.5253 | |
| 404 | S | A | 1.0087 | |
| 405 | S | A | 0.7978 | |
| 406 | V | A | 0.9517 | |
| 407 | Q | A | -0.9137 | |
| 408 | G | A | -1.3082 | |
| 409 | S | A | -1.8147 | |
| 410 | R | A | -2.0436 | |
| 411 | S | A | -0.5416 | |
| 412 | Y | A | 0.6625 | |
| 413 | S | A | -0.2138 | |
| 414 | G | A | -1.3035 | |
| 415 | R | A | -2.7066 | |
| 416 | G | A | -2.4443 | |
| 417 | R | A | -3.0663 | |
| 418 | G | A | -2.8288 | |
| 419 | R | A | -3.5293 | |
| 420 | R | A | -3.1645 | |
| 421 | G | A | -2.1513 | |
| 422 | P | A | -1.2791 | |
| 423 | N | A | -0.7979 | |
| 424 | Y | A | 0.4726 | |
| 425 | T | A | 0.0469 | |
| 426 | S | A | -0.1006 | |
| 427 | G | A | -0.0885 | |
| 428 | Y | A | 0.6807 | |
| 429 | G | A | -0.2646 | |
| 430 | T | A | -0.6980 | |
| 431 | N | A | -1.6268 | |
| 432 | S | A | -1.5468 | |
| 433 | E | A | -1.5394 | |
| 434 | L | A | 0.0061 | |
| 435 | S | A | -0.6494 | |
| 436 | N | A | -1.4518 | |
| 437 | P | A | -1.4934 | |
| 438 | S | A | -1.5935 | |
| 439 | E | A | -2.3893 | |
| 440 | T | A | -1.9547 | |
| 441 | E | A | -2.7215 | |
| 442 | S | A | -2.4606 | |
| 443 | E | A | -3.5855 | |
| 444 | R | A | -4.1289 | |
| 445 | K | A | -4.3771 | |
| 446 | D | A | -3.6177 | |
| 447 | E | A | -2.5138 | |
| 448 | L | A | -0.1779 | |
| 449 | S | A | -0.7464 | |
| 450 | D | A | -1.0425 | |
| 451 | W | A | 0.4591 | |
| 452 | S | A | 0.5823 | |
| 453 | L | A | 1.1754 | |
| 454 | A | A | 0.1363 | |
| 455 | G | A | -1.2702 | |
| 456 | E | A | -3.2160 | |
| 457 | D | A | -4.2966 | |
| 458 | D | A | -4.4914 | |
| 459 | R | A | -4.2124 | |
| 460 | E | A | -3.7398 | |
| 461 | T | A | -2.6109 | |
| 462 | R | A | -3.6214 | |
| 463 | H | A | -3.2840 | |
| 464 | Q | A | -3.6153 | |
| 465 | R | A | -3.8778 | |
| 466 | D | A | -3.4417 | |
| 467 | S | A | -2.8224 | |
| 468 | R | A | -3.6107 | |
| 469 | R | A | -3.8576 | |
| 470 | R | A | -3.4637 | |
| 471 | P | A | -1.8447 | |
| 472 | G | A | -1.6673 | |
| 473 | G | A | -2.0215 | |
| 474 | R | A | -2.9313 | |
| 475 | G | A | -2.5275 | |
| 476 | R | A | -2.2871 | |
| 477 | S | A | -0.5530 | |
| 478 | V | A | 0.9600 | |
| 479 | S | A | 0.2153 | |
| 480 | G | A | -0.8154 | |
| 481 | G | A | -1.8233 | |
| 482 | R | A | -2.7961 | |
| 483 | G | A | -2.4589 | |
| 484 | R | A | -2.7837 | |
| 485 | G | A | -1.7964 | |
| 486 | G | A | -1.6442 | |
| 487 | P | A | -1.6124 | |
| 488 | R | A | -2.6379 | |
| 489 | G | A | -2.2203 | |
| 490 | G | A | -2.1027 | |
| 491 | K | A | -2.2353 | |
| 492 | S | A | -0.8959 | |
| 493 | S | A | 0.2349 | |
| 494 | I | A | 1.8523 | |
| 495 | S | A | 0.3125 | |
| 496 | S | A | -0.3868 | |
| 497 | V | A | 0.0373 | |
| 498 | L | A | 0.5444 | |
| 499 | K | A | -1.8238 | |
| 500 | D | A | -2.9838 | |
| 501 | P | A | -2.0409 | |
| 502 | D | A | -2.8591 | |
| 503 | S | A | -2.1387 | |
| 504 | N | A | -1.7061 | |
| 505 | P | A | -0.4434 | |
| 506 | Y | A | -0.0648 | |
| 507 | S | A | -0.4950 | |
| 508 | L | A | 0.2978 | |
| 509 | L | A | -0.7160 | |
| 510 | D | A | -2.1599 | |
| 511 | N | A | -2.4189 | |
| 512 | T | A | -2.1635 | |
| 513 | E | A | -3.0622 | |
| 514 | S | A | -2.4354 | |
| 515 | D | A | -2.8827 | |
| 516 | Q | A | -2.6525 | |
| 517 | T | A | -1.6128 | |
| 518 | A | A | -1.6626 | |
| 519 | D | A | -2.3648 | |
| 520 | T | A | -1.8368 | |
| 521 | D | A | -2.4297 | |
| 522 | A | A | -1.2929 | |
| 523 | S | A | -1.5833 | |
| 524 | E | A | -2.5389 | |
| 525 | S | A | -1.9530 | |
| 526 | H | A | -2.0608 | |
| 527 | H | A | -1.8692 | |
| 528 | S | A | -1.4161 | |
| 529 | T | A | -1.3874 | |
| 530 | N | A | -2.9192 | |
| 531 | R | A | -3.8790 | |
| 532 | R | A | -4.3316 | |
| 533 | R | A | -4.2643 | |
| 534 | R | A | -3.5945 | |
| 535 | S | A | -2.7700 | |
| 536 | R | A | -3.8337 | |
| 537 | R | A | -4.2088 | |
| 538 | R | A | -4.2690 | |
| 539 | R | A | -4.1200 | |
| 540 | T | A | -2.9853 | |
| 541 | D | A | -3.7400 | |
| 542 | E | A | -3.8067 | |
| 543 | D | A | -2.7000 | |
| 544 | A | A | 0.0701 | |
| 545 | V | A | 2.4014 | |
| 546 | L | A | 2.5752 | |
| 547 | M | A | 1.0738 | |
| 548 | D | A | -0.8406 | |
| 549 | G | A | -0.5172 | |
| 550 | L | A | 0.5135 | |
| 551 | T | A | -0.2393 | |
| 552 | E | A | -2.0697 | |
| 553 | S | A | -2.1866 | |
| 554 | D | A | -2.3644 | |
| 555 | T | A | -0.9659 | |
| 556 | A | A | -0.0941 | |
| 557 | S | A | 0.5158 | |
| 558 | V | A | 0.6734 | |
| 559 | N | A | -1.7425 | |
| 560 | E | A | -2.8742 | |
| 561 | N | A | -2.3468 | |
| 562 | G | A | -1.2494 | |
| 563 | L | A | -0.3171 | |
| 564 | D | A | -1.9396 | |
| 565 | D | A | -2.8004 | |
| 566 | S | A | -2.7347 | |
| 567 | E | A | -3.5258 | |
| 568 | K | A | -3.5632 | |
| 569 | K | A | -3.2943 | |
| 570 | P | A | -2.5511 | |
| 571 | Q | A | -3.0057 | |
| 572 | R | A | -3.8343 | |
| 573 | R | A | -3.9985 | |
| 574 | N | A | -3.5042 | |
| 575 | R | A | -3.5466 | |
| 576 | S | A | -2.9412 | |
| 577 | R | A | -3.6786 | |
| 578 | R | A | -4.0153 | |
| 579 | R | A | -3.8068 | |
| 580 | R | A | -2.6635 | |
| 581 | F | A | -0.6909 | |
| 582 | R | A | -1.8139 | |
| 583 | G | A | -1.7770 | |
| 584 | Q | A | -1.9590 | |
| 585 | A | A | -2.3420 | |
| 586 | E | A | -3.4393 | |
| 587 | D | A | -3.9248 | |
| 588 | R | A | -3.4744 | |
| 589 | Q | A | -2.3928 | |
| 590 | P | A | -0.5191 | |
| 591 | V | A | 1.4373 | |
| 592 | T | A | 1.7054 | |
| 593 | V | A | 2.7316 | |
| 594 | A | A | 1.6512 | |
| 595 | D | A | 1.1198 | |
| 596 | Y | A | 2.1709 | |
| 597 | I | A | 1.9141 | |
| 598 | S | A | -0.0994 | |
| 599 | R | A | -1.7665 | |
| 600 | A | A | -1.1993 | |
| 601 | E | A | -2.5003 | |
| 602 | S | A | -2.4672 | |
| 603 | Q | A | -2.5311 | |
| 604 | S | A | -2.2967 | |
| 605 | R | A | -3.4942 | |
| 606 | Q | A | -3.3542 | |
| 607 | R | A | -3.1894 | |
| 608 | N | A | -2.3362 | |
| 609 | L | A | -0.5038 | |
| 610 | P | A | -1.3754 | |
| 611 | R | A | -2.4688 | |
| 612 | E | A | -2.3045 | |
| 613 | T | A | -0.6584 | |
| 614 | L | A | 0.5975 | |
| 615 | A | A | -0.2641 | |
| 616 | K | A | -2.3614 | |
| 617 | N | A | -3.4275 | |
| 618 | K | A | -4.0902 | |
| 619 | K | A | -3.6093 | |
| 620 | E | A | -2.3783 | |
| 621 | M | A | -0.6264 | |
| 622 | A | A | -1.1312 | |
| 623 | K | A | -1.9292 | |
| 624 | D | A | -1.2330 | |
| 625 | V | A | 1.0914 | |
| 626 | I | A | 1.2555 | |
| 627 | E | A | -1.7842 | |
| 628 | E | A | -2.9583 | |
| 629 | H | A | -2.5120 | |
| 630 | G | A | -1.4657 | |
| 631 | P | A | -1.1992 | |
| 632 | S | A | -1.8009 | |
| 633 | E | A | -2.8504 | |
| 634 | K | A | -2.2029 | |
| 635 | A | A | -0.4417 | |
| 636 | I | A | 0.9384 | |
| 637 | N | A | -0.5718 | |
| 638 | G | A | -0.8132 | |
| 639 | P | A | -0.8149 | |
| 640 | T | A | -0.3804 | |
| 641 | S | A | -0.3148 | |
| 642 | A | A | -0.2603 | |
| 643 | S | A | -0.8351 | |
| 644 | G | A | -1.8000 | |
| 645 | D | A | -2.5786 | |
| 646 | E | A | -1.8486 | |
| 647 | I | A | 0.2765 | |
| 648 | P | A | -0.1303 | |
| 649 | K | A | -0.7128 | |
| 650 | L | A | 0.1571 | |
| 651 | P | A | -0.7804 | |
| 652 | R | A | -1.4025 | |
| 653 | T | A | -0.3329 | |
| 654 | L | A | 0.5560 | |
| 655 | G | A | -0.9694 | |
| 656 | E | A | -3.0104 | |
| 657 | E | A | -3.6365 | |
| 658 | K | A | -3.4331 | |
| 659 | T | A | -2.1509 | |
| 660 | K | A | -1.8425 | |
| 661 | T | A | -0.7286 | |
| 662 | L | A | -0.2083 | |
| 663 | K | A | -2.1427 | |
| 664 | E | A | -3.2226 | |
| 665 | D | A | -3.1911 | |
| 666 | S | A | -1.8321 | |
| 667 | T | A | -1.4775 | |
| 668 | Q | A | -2.1492 | |
| 669 | E | A | -2.3677 | |
| 670 | A | A | -0.8585 | |
| 671 | A | A | 0.9056 | |
| 672 | V | A | 2.3098 | |
| 673 | L | A | 1.7811 | |
| 674 | N | A | -0.0472 | |
| 675 | G | A | 0.1299 | |
| 676 | V | A | 1.1504 | |
| 677 | S | A | 0.4982 |
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 | -1.239 | 3.4981 | View | CSV | PDB |
| 4.5 | -1.3567 | 3.4493 | View | CSV | PDB |
| 5.0 | -1.5066 | 3.3783 | View | CSV | PDB |
| 5.5 | -1.6626 | 3.2951 | View | CSV | PDB |
| 6.0 | -1.7969 | 3.207 | View | CSV | PDB |
| 6.5 | -1.8886 | 3.164 | View | CSV | PDB |
| 7.0 | -1.9331 | 3.164 | View | CSV | PDB |
| 7.5 | -1.9432 | 3.164 | View | CSV | PDB |
| 8.0 | -1.934 | 3.164 | View | CSV | PDB |
| 8.5 | -1.9113 | 3.164 | View | CSV | PDB |
| 9.0 | -1.8738 | 3.164 | 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