| Chain sequence(s) | MPSATSHSGSGSKSSGPPPPSGSSGSEAAAGAAAPASQHPATGTGAVQTEAMKQILGVIDKKLRNLEKKKGKLDDYQERMNKGERLNQDQLDAVSKYQEVTNNLEFAKELQRSFMALSQDIQKTIKKTARREQLMREEAEQKRLKTVLELQYVLDKLGDDDVRTDLKQGLSGVPILSEEELSLLDEFYKLVDPERDMSLRLNEQYEHASIHLWDLLEGKEKPVCGTTYKALKEIVERVFQSNYFDSTHNHQNGLCEEEEAASAPIVEDQVAEAEPEPTEEYTEQSEVESTEYVNRQFMAETQFSSGEKEQVDEWAVETVEVVNSLQQQPQAASPSVPEPHSLTPVAQSDPLVRRQRVQDLMAQMQGPYNFIQDSMLDFENQTLDPAIVSAQPMNPTQNMDMPQLVCPQVHSESRLAQSNQVPVQPEATQVPLVSSTSEGYTASQPLYQPSHAAEQRPQKEPIDQIQATISLNTEQTTASSSLPAASQPQVFQAGASKPLHSSGINVNAAPFQSMQTVFNMNAPVPPVNEPETLKQQSQYQASYNQSFSSQPHQVEQTELQQDQLQTVVGTYHGSQDQPHQVPGNHQQPPQQSTGFPRSSQPYYNSRGVSRGGSRGARGLMNGYRGPANGFRGGYDGYRSSFSNTPNSGYTQSQFNAPRDYSGYQRDGYQQNFKRGSGQSGPRGAPRGRGGPPRPNRGMPQMNTQQVN 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ad816523efcad3/tmp/folded.pdb (00:08:48)
[INFO] Main: Simulation completed successfully. (00:12:21)
|
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 | 0.8847 | |
| 2 | P | A | 0.1628 | |
| 3 | S | A | -0.0950 | |
| 4 | A | A | -0.1863 | |
| 5 | T | A | -0.4033 | |
| 6 | S | A | -0.7503 | |
| 7 | H | A | -1.3353 | |
| 8 | S | A | -1.0989 | |
| 9 | G | A | -1.0307 | |
| 10 | S | A | -0.7934 | |
| 11 | G | A | -1.1354 | |
| 12 | S | A | -1.3390 | |
| 13 | K | A | -2.0469 | |
| 14 | S | A | -1.2861 | |
| 15 | S | A | -1.0035 | |
| 16 | G | A | -0.7887 | |
| 17 | P | A | -0.7334 | |
| 18 | P | A | -0.7017 | |
| 19 | P | A | -0.5998 | |
| 20 | P | A | -0.6696 | |
| 21 | S | A | -0.6914 | |
| 22 | G | A | -0.8394 | |
| 23 | S | A | -0.7345 | |
| 24 | S | A | -0.9260 | |
| 25 | G | A | -1.1963 | |
| 26 | S | A | -1.5179 | |
| 27 | E | A | -2.0206 | |
| 28 | A | A | -0.9330 | |
| 29 | A | A | -0.4913 | |
| 30 | A | A | -0.2964 | |
| 31 | G | A | -0.3618 | |
| 32 | A | A | -0.1319 | |
| 33 | A | A | -0.0463 | |
| 34 | A | A | -0.1134 | |
| 35 | P | A | -0.4343 | |
| 36 | A | A | -0.5734 | |
| 37 | S | A | -1.1739 | |
| 38 | Q | A | -1.9154 | |
| 39 | H | A | -1.8149 | |
| 40 | P | A | -1.2186 | |
| 41 | A | A | -0.6924 | |
| 42 | T | A | -0.3789 | |
| 43 | G | A | -0.3657 | |
| 44 | T | A | 0.1115 | |
| 45 | G | A | -0.2059 | |
| 46 | A | A | 0.1105 | |
| 47 | V | A | 0.7969 | |
| 48 | Q | A | -0.5180 | |
| 49 | T | A | -1.2804 | |
| 50 | E | A | -2.1505 | |
| 51 | A | A | -1.3116 | |
| 52 | M | A | 0.0000 | |
| 53 | K | A | -2.3521 | |
| 54 | Q | A | -1.7513 | |
| 55 | I | A | -0.2138 | |
| 56 | L | A | -0.5945 | |
| 57 | G | A | -0.8038 | |
| 58 | V | A | 0.2771 | |
| 59 | I | A | 0.0000 | |
| 60 | D | A | -2.5270 | |
| 61 | K | A | -2.8697 | |
| 62 | K | A | -2.8615 | |
| 63 | L | A | 0.0000 | |
| 64 | R | A | -4.3537 | |
| 65 | N | A | -4.0912 | |
| 66 | L | A | -3.5512 | |
| 67 | E | A | -3.2834 | |
| 68 | K | A | -4.1286 | |
| 69 | K | A | -3.8556 | |
| 70 | K | A | -3.6099 | |
| 71 | G | A | -3.1068 | |
| 72 | K | A | -3.9087 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | -3.0175 | |
| 75 | D | A | -3.6621 | |
| 76 | Y | A | -2.9749 | |
| 77 | Q | A | -2.9381 | |
| 78 | E | A | -4.2033 | |
| 79 | R | A | -3.9185 | |
| 80 | M | A | -3.0429 | |
| 81 | N | A | -3.2800 | |
| 82 | K | A | -3.8971 | |
| 83 | G | A | -3.3167 | |
| 84 | E | A | -4.1368 | |
| 85 | R | A | -3.4204 | |
| 86 | L | A | 0.0000 | |
| 87 | N | A | -3.1691 | |
| 88 | Q | A | -3.2099 | |
| 89 | D | A | -3.3209 | |
| 90 | Q | A | -2.7057 | |
| 91 | L | A | -1.9914 | |
| 92 | D | A | -3.0778 | |
| 93 | A | A | -2.4006 | |
| 94 | V | A | -2.0996 | |
| 95 | S | A | -2.0920 | |
| 96 | K | A | -3.0296 | |
| 97 | Y | A | -2.8129 | |
| 98 | Q | A | -2.9946 | |
| 99 | E | A | -3.5091 | |
| 100 | V | A | 0.0000 | |
| 101 | T | A | -2.4393 | |
| 102 | N | A | -2.5915 | |
| 103 | N | A | -2.0423 | |
| 104 | L | A | 0.0000 | |
| 105 | E | A | -2.1849 | |
| 106 | F | A | -0.5320 | |
| 107 | A | A | 0.0000 | |
| 108 | K | A | -2.5125 | |
| 109 | E | A | -2.3831 | |
| 110 | L | A | -0.9519 | |
| 111 | Q | A | -1.3363 | |
| 112 | R | A | -2.0443 | |
| 113 | S | A | -0.9400 | |
| 114 | F | A | -0.3598 | |
| 115 | M | A | -0.5491 | |
| 116 | A | A | -0.5995 | |
| 117 | L | A | -0.3607 | |
| 118 | S | A | -1.4648 | |
| 119 | Q | A | -2.1368 | |
| 120 | D | A | -2.7635 | |
| 121 | I | A | -1.9156 | |
| 122 | Q | A | -2.7440 | |
| 123 | K | A | -3.6905 | |
| 124 | T | A | -2.7554 | |
| 125 | I | A | -2.4126 | |
| 126 | K | A | -4.0078 | |
| 127 | K | A | -4.2023 | |
| 128 | T | A | -3.0424 | |
| 129 | A | A | -2.9478 | |
| 130 | R | A | -4.1693 | |
| 131 | R | A | -4.1142 | |
| 132 | E | A | -3.5843 | |
| 133 | Q | A | -3.4495 | |
| 134 | L | A | -2.8918 | |
| 135 | M | A | -2.7756 | |
| 136 | R | A | -4.5349 | |
| 137 | E | A | -4.7890 | |
| 138 | E | A | -4.5397 | |
| 139 | A | A | -4.0375 | |
| 140 | E | A | -4.7984 | |
| 141 | Q | A | -4.4720 | |
| 142 | K | A | -4.5470 | |
| 143 | R | A | -3.2223 | |
| 144 | L | A | -1.9069 | |
| 145 | K | A | -2.7675 | |
| 146 | T | A | -1.7470 | |
| 147 | V | A | 0.0000 | |
| 148 | L | A | 0.0371 | |
| 149 | E | A | -1.0950 | |
| 150 | L | A | 0.0000 | |
| 151 | Q | A | -1.3321 | |
| 152 | Y | A | -0.4900 | |
| 153 | V | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | D | A | -2.3921 | |
| 156 | K | A | -2.0939 | |
| 157 | L | A | 0.0000 | |
| 158 | G | A | -2.1401 | |
| 159 | D | A | -2.5954 | |
| 160 | D | A | -3.2825 | |
| 161 | D | A | -3.7102 | |
| 162 | V | A | 0.0000 | |
| 163 | R | A | -2.7823 | |
| 164 | T | A | -2.7027 | |
| 165 | D | A | -2.2744 | |
| 166 | L | A | 0.0000 | |
| 167 | K | A | -2.2249 | |
| 168 | Q | A | -1.5319 | |
| 169 | G | A | -0.1523 | |
| 170 | L | A | 0.9778 | |
| 171 | S | A | 0.6134 | |
| 172 | G | A | 0.0197 | |
| 173 | V | A | 1.2503 | |
| 174 | P | A | -0.3920 | |
| 175 | I | A | -0.3729 | |
| 176 | L | A | 0.0000 | |
| 177 | S | A | -2.1254 | |
| 178 | E | A | -3.1006 | |
| 179 | E | A | -2.8866 | |
| 180 | E | A | -2.0038 | |
| 181 | L | A | 0.0000 | |
| 182 | S | A | -1.7371 | |
| 183 | L | A | -1.3023 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | -1.6117 | |
| 186 | E | A | -1.9525 | |
| 187 | F | A | 0.0000 | |
| 188 | Y | A | -1.6762 | |
| 189 | K | A | -2.6363 | |
| 190 | L | A | -1.1548 | |
| 191 | V | A | -1.3936 | |
| 192 | D | A | -2.6771 | |
| 193 | P | A | -2.3793 | |
| 194 | E | A | -2.9843 | |
| 195 | R | A | -1.9170 | |
| 196 | D | A | -1.4151 | |
| 197 | M | A | 0.0856 | |
| 198 | S | A | -0.1322 | |
| 199 | L | A | -0.3823 | |
| 200 | R | A | -1.6045 | |
| 201 | L | A | -0.6387 | |
| 202 | N | A | -1.7592 | |
| 203 | E | A | -2.0901 | |
| 204 | Q | A | 0.0000 | |
| 205 | Y | A | -0.9481 | |
| 206 | E | A | -2.0588 | |
| 207 | H | A | -1.2011 | |
| 208 | A | A | 0.0000 | |
| 209 | S | A | -0.1333 | |
| 210 | I | A | 0.7112 | |
| 211 | H | A | 0.4738 | |
| 212 | L | A | 0.0000 | |
| 213 | W | A | 0.5815 | |
| 214 | D | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | L | A | -0.7978 | |
| 217 | E | A | -2.2286 | |
| 218 | G | A | 0.0000 | |
| 219 | K | A | -2.8424 | |
| 220 | E | A | -3.1899 | |
| 221 | K | A | -2.3657 | |
| 222 | P | A | -1.4358 | |
| 223 | V | A | 0.0000 | |
| 224 | C | A | -0.6290 | |
| 225 | G | A | -0.6125 | |
| 226 | T | A | -0.7213 | |
| 227 | T | A | -1.7327 | |
| 228 | Y | A | 0.0000 | |
| 229 | K | A | -2.6627 | |
| 230 | A | A | -1.7959 | |
| 231 | L | A | 0.0000 | |
| 232 | K | A | -2.3863 | |
| 233 | E | A | -2.8124 | |
| 234 | I | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | E | A | -2.4383 | |
| 237 | R | A | -2.3184 | |
| 238 | V | A | 0.0000 | |
| 239 | F | A | -1.6387 | |
| 240 | Q | A | -2.0037 | |
| 241 | S | A | -1.4406 | |
| 242 | N | A | -2.0832 | |
| 243 | Y | A | 0.0000 | |
| 244 | F | A | -1.3417 | |
| 245 | D | A | -2.2284 | |
| 246 | S | A | -1.5697 | |
| 247 | T | A | -1.2994 | |
| 248 | H | A | -2.1088 | |
| 249 | N | A | -2.7856 | |
| 250 | H | A | -3.0623 | |
| 251 | Q | A | -2.6835 | |
| 252 | N | A | -2.1047 | |
| 253 | G | A | -0.8514 | |
| 254 | L | A | 0.4537 | |
| 255 | C | A | -0.5178 | |
| 256 | E | A | -3.0438 | |
| 257 | E | A | -3.7323 | |
| 258 | E | A | -4.0272 | |
| 259 | E | A | -3.4361 | |
| 260 | A | A | -1.7023 | |
| 261 | A | A | -0.8238 | |
| 262 | S | A | -0.2299 | |
| 263 | A | A | 0.2968 | |
| 264 | P | A | 1.1310 | |
| 265 | I | A | 2.3598 | |
| 266 | V | A | 1.3950 | |
| 267 | E | A | -1.7883 | |
| 268 | D | A | -2.5808 | |
| 269 | Q | A | -1.4474 | |
| 270 | V | A | 0.3524 | |
| 271 | A | A | -0.2960 | |
| 272 | E | A | -1.7418 | |
| 273 | A | A | -1.7248 | |
| 274 | E | A | -2.7545 | |
| 275 | P | A | -2.2626 | |
| 276 | E | A | -2.5007 | |
| 277 | P | A | -1.6451 | |
| 278 | T | A | -1.8337 | |
| 279 | E | A | -2.4854 | |
| 280 | E | A | -2.2906 | |
| 281 | Y | A | -0.4954 | |
| 282 | T | A | -1.1191 | |
| 283 | E | A | -2.3507 | |
| 284 | Q | A | -2.4656 | |
| 285 | S | A | -1.8488 | |
| 286 | E | A | -1.9208 | |
| 287 | V | A | -0.2565 | |
| 288 | E | A | -1.8584 | |
| 289 | S | A | -1.1866 | |
| 290 | T | A | -0.8078 | |
| 291 | E | A | -1.3201 | |
| 292 | Y | A | 0.2938 | |
| 293 | V | A | -0.0665 | |
| 294 | N | A | -1.3253 | |
| 295 | R | A | -1.7338 | |
| 296 | Q | A | -1.2802 | |
| 297 | F | A | 0.8213 | |
| 298 | M | A | 0.6693 | |
| 299 | A | A | -0.4616 | |
| 300 | E | A | -1.4557 | |
| 301 | T | A | -0.8549 | |
| 302 | Q | A | -0.9045 | |
| 303 | F | A | 0.8860 | |
| 304 | S | A | -0.1106 | |
| 305 | S | A | -0.8533 | |
| 306 | G | A | -1.6909 | |
| 307 | E | A | -3.5312 | |
| 308 | K | A | -3.6928 | |
| 309 | E | A | -3.4380 | |
| 310 | Q | A | -2.2364 | |
| 311 | V | A | -0.7835 | |
| 312 | D | A | -1.8840 | |
| 313 | E | A | -1.3830 | |
| 314 | W | A | 0.2482 | |
| 315 | A | A | 0.4794 | |
| 316 | V | A | 1.1952 | |
| 317 | E | A | -0.7661 | |
| 318 | T | A | 0.1050 | |
| 319 | V | A | 1.3506 | |
| 320 | E | A | -0.2767 | |
| 321 | V | A | 1.8435 | |
| 322 | V | A | 1.7211 | |
| 323 | N | A | 0.0552 | |
| 324 | S | A | 0.4072 | |
| 325 | L | A | 0.3434 | |
| 326 | Q | A | -1.3387 | |
| 327 | Q | A | -2.1335 | |
| 328 | Q | A | -2.4129 | |
| 329 | P | A | -1.6351 | |
| 330 | Q | A | -1.5194 | |
| 331 | A | A | -0.5861 | |
| 332 | A | A | -0.3086 | |
| 333 | S | A | -0.3427 | |
| 334 | P | A | -0.1069 | |
| 335 | S | A | 0.4106 | |
| 336 | V | A | 1.1256 | |
| 337 | P | A | -0.5184 | |
| 338 | E | A | -1.9243 | |
| 339 | P | A | -1.5305 | |
| 340 | H | A | -1.3233 | |
| 341 | S | A | -0.0484 | |
| 342 | L | A | 1.3064 | |
| 343 | T | A | 0.8554 | |
| 344 | P | A | 0.7728 | |
| 345 | V | A | 1.5296 | |
| 346 | A | A | -0.0004 | |
| 347 | Q | A | -1.3555 | |
| 348 | S | A | -1.1708 | |
| 349 | D | A | -1.7354 | |
| 350 | P | A | -1.4674 | |
| 351 | L | A | 0.0596 | |
| 352 | V | A | -0.3686 | |
| 353 | R | A | -2.7242 | |
| 354 | R | A | -2.8108 | |
| 355 | Q | A | -2.4836 | |
| 356 | R | A | -2.5264 | |
| 357 | V | A | -0.8633 | |
| 358 | Q | A | -1.9871 | |
| 359 | D | A | -1.9964 | |
| 360 | L | A | -0.1973 | |
| 361 | M | A | -0.1167 | |
| 362 | A | A | -0.7648 | |
| 363 | Q | A | -0.9338 | |
| 364 | M | A | 0.0217 | |
| 365 | Q | A | -0.8976 | |
| 366 | G | A | -0.7309 | |
| 367 | P | A | -0.1098 | |
| 368 | Y | A | 1.3619 | |
| 369 | N | A | 0.0841 | |
| 370 | F | A | 1.8206 | |
| 371 | I | A | 1.8970 | |
| 372 | Q | A | -0.5325 | |
| 373 | D | A | -1.2764 | |
| 374 | S | A | 0.0235 | |
| 375 | M | A | 0.8624 | |
| 376 | L | A | 1.0822 | |
| 377 | D | A | -0.7493 | |
| 378 | F | A | 0.2553 | |
| 379 | E | A | -2.1411 | |
| 380 | N | A | -2.3110 | |
| 381 | Q | A | -1.8833 | |
| 382 | T | A | -0.8468 | |
| 383 | L | A | 0.1341 | |
| 384 | D | A | -0.7167 | |
| 385 | P | A | 0.3144 | |
| 386 | A | A | 1.0164 | |
| 387 | I | A | 2.4463 | |
| 388 | V | A | 2.2736 | |
| 389 | S | A | 0.8363 | |
| 390 | A | A | 0.1609 | |
| 391 | Q | A | -0.9772 | |
| 392 | P | A | -0.6550 | |
| 393 | M | A | -0.0572 | |
| 394 | N | A | -1.0837 | |
| 395 | P | A | -1.0911 | |
| 396 | T | A | -1.2670 | |
| 397 | Q | A | -1.7476 | |
| 398 | N | A | -1.8742 | |
| 399 | M | A | -0.4932 | |
| 400 | D | A | -1.0989 | |
| 401 | M | A | -0.0207 | |
| 402 | P | A | -0.3476 | |
| 403 | Q | A | 0.1711 | |
| 404 | L | A | 1.9147 | |
| 405 | V | A | 2.6101 | |
| 406 | C | A | 1.5860 | |
| 407 | P | A | 0.1977 | |
| 408 | Q | A | -0.4494 | |
| 409 | V | A | 0.5144 | |
| 410 | H | A | -1.0145 | |
| 411 | S | A | -1.3679 | |
| 412 | E | A | -2.7150 | |
| 413 | S | A | -1.7590 | |
| 414 | R | A | -1.6251 | |
| 415 | L | A | 0.3744 | |
| 416 | A | A | -0.1457 | |
| 417 | Q | A | -1.2177 | |
| 418 | S | A | -1.7090 | |
| 419 | N | A | -1.8536 | |
| 420 | Q | A | -0.9646 | |
| 421 | V | A | 1.1246 | |
| 422 | P | A | 1.1053 | |
| 423 | V | A | 1.4091 | |
| 424 | Q | A | -0.9861 | |
| 425 | P | A | -1.4854 | |
| 426 | E | A | -2.3656 | |
| 427 | A | A | -1.1528 | |
| 428 | T | A | -0.6631 | |
| 429 | Q | A | -0.5840 | |
| 430 | V | A | 1.3255 | |
| 431 | P | A | 1.4007 | |
| 432 | L | A | 2.5933 | |
| 433 | V | A | 2.3533 | |
| 434 | S | A | 0.8578 | |
| 435 | S | A | -0.2505 | |
| 436 | T | A | -0.7412 | |
| 437 | S | A | -1.2825 | |
| 438 | E | A | -1.9521 | |
| 439 | G | A | -0.9458 | |
| 440 | Y | A | 0.6791 | |
| 441 | T | A | 0.2785 | |
| 442 | A | A | -0.0517 | |
| 443 | S | A | -0.6547 | |
| 444 | Q | A | -0.8167 | |
| 445 | P | A | 0.0368 | |
| 446 | L | A | 1.3767 | |
| 447 | Y | A | 1.0729 | |
| 448 | Q | A | -0.3917 | |
| 449 | P | A | -0.6481 | |
| 450 | S | A | -0.9646 | |
| 451 | H | A | -1.4515 | |
| 452 | A | A | -0.8837 | |
| 453 | A | A | -1.4524 | |
| 454 | E | A | -2.8324 | |
| 455 | Q | A | -3.0268 | |
| 456 | R | A | -3.1504 | |
| 457 | P | A | -2.3425 | |
| 458 | Q | A | -2.9454 | |
| 459 | K | A | -3.3177 | |
| 460 | E | A | -2.5890 | |
| 461 | P | A | -1.0278 | |
| 462 | I | A | 0.2598 | |
| 463 | D | A | -1.1038 | |
| 464 | Q | A | -0.9935 | |
| 465 | I | A | 0.4507 | |
| 466 | Q | A | -0.5880 | |
| 467 | A | A | 0.3455 | |
| 468 | T | A | 0.8003 | |
| 469 | I | A | 2.2258 | |
| 470 | S | A | 1.2013 | |
| 471 | L | A | 1.2522 | |
| 472 | N | A | -1.0407 | |
| 473 | T | A | -1.4802 | |
| 474 | E | A | -2.7560 | |
| 475 | Q | A | -2.1535 | |
| 476 | T | A | -1.1615 | |
| 477 | T | A | -0.3803 | |
| 478 | A | A | -0.1350 | |
| 479 | S | A | -0.3447 | |
| 480 | S | A | -0.0660 | |
| 481 | S | A | 0.3285 | |
| 482 | L | A | 1.2891 | |
| 483 | P | A | 0.4702 | |
| 484 | A | A | 0.2026 | |
| 485 | A | A | -0.3449 | |
| 486 | S | A | -0.7869 | |
| 487 | Q | A | -1.6726 | |
| 488 | P | A | -1.1418 | |
| 489 | Q | A | -0.2455 | |
| 490 | V | A | 1.7486 | |
| 491 | F | A | 1.8758 | |
| 492 | Q | A | 0.1994 | |
| 493 | A | A | -0.3228 | |
| 494 | G | A | -0.6965 | |
| 495 | A | A | -0.6158 | |
| 496 | S | A | -1.1477 | |
| 497 | K | A | -1.5774 | |
| 498 | P | A | -0.7309 | |
| 499 | L | A | 0.4659 | |
| 500 | H | A | -0.4669 | |
| 501 | S | A | -0.3546 | |
| 502 | S | A | -0.1967 | |
| 503 | G | A | 0.0892 | |
| 504 | I | A | 1.4003 | |
| 505 | N | A | 0.0373 | |
| 506 | V | A | 1.0498 | |
| 507 | N | A | -0.5097 | |
| 508 | A | A | 0.0272 | |
| 509 | A | A | 0.1540 | |
| 510 | P | A | 0.2530 | |
| 511 | F | A | 1.3903 | |
| 512 | Q | A | -0.3552 | |
| 513 | S | A | -0.1229 | |
| 514 | M | A | 0.7005 | |
| 515 | Q | A | -0.3826 | |
| 516 | T | A | 0.7061 | |
| 517 | V | A | 2.3577 | |
| 518 | F | A | 2.0978 | |
| 519 | N | A | 0.1907 | |
| 520 | M | A | 0.5739 | |
| 521 | N | A | -0.6825 | |
| 522 | A | A | -0.1584 | |
| 523 | P | A | 0.3371 | |
| 524 | V | A | 1.5513 | |
| 525 | P | A | 0.6687 | |
| 526 | P | A | 0.3568 | |
| 527 | V | A | 0.7270 | |
| 528 | N | A | -1.6676 | |
| 529 | E | A | -2.6663 | |
| 530 | P | A | -1.9664 | |
| 531 | E | A | -2.3026 | |
| 532 | T | A | -0.7236 | |
| 533 | L | A | 0.0406 | |
| 534 | K | A | -1.8309 | |
| 535 | Q | A | -2.3907 | |
| 536 | Q | A | -2.5743 | |
| 537 | S | A | -1.4664 | |
| 538 | Q | A | -1.1149 | |
| 539 | Y | A | -0.0049 | |
| 540 | Q | A | -0.8471 | |
| 541 | A | A | -0.2604 | |
| 542 | S | A | 0.0365 | |
| 543 | Y | A | 0.3804 | |
| 544 | N | A | -1.3063 | |
| 545 | Q | A | -1.2595 | |
| 546 | S | A | -0.1930 | |
| 547 | F | A | 1.4368 | |
| 548 | S | A | 0.3406 | |
| 549 | S | A | -0.5589 | |
| 550 | Q | A | -1.6599 | |
| 551 | P | A | -1.5725 | |
| 552 | H | A | -1.5639 | |
| 553 | Q | A | -1.2796 | |
| 554 | V | A | -0.2415 | |
| 555 | E | A | -1.7872 | |
| 556 | Q | A | -2.1877 | |
| 557 | T | A | -1.6476 | |
| 558 | E | A | -1.6546 | |
| 559 | L | A | -0.2990 | |
| 560 | Q | A | -1.6386 | |
| 561 | Q | A | -2.5078 | |
| 562 | D | A | -2.8615 | |
| 563 | Q | A | -1.7382 | |
| 564 | L | A | 0.0685 | |
| 565 | Q | A | -0.3407 | |
| 566 | T | A | 0.8887 | |
| 567 | V | A | 2.3683 | |
| 568 | V | A | 2.5126 | |
| 569 | G | A | 1.0807 | |
| 570 | T | A | 0.7403 | |
| 571 | Y | A | 0.7077 | |
| 572 | H | A | -0.6135 | |
| 573 | G | A | -0.9996 | |
| 574 | S | A | -1.6729 | |
| 575 | Q | A | -2.5607 | |
| 576 | D | A | -3.1721 | |
| 577 | Q | A | -2.8675 | |
| 578 | P | A | -2.0026 | |
| 579 | H | A | -1.8595 | |
| 580 | Q | A | -1.0603 | |
| 581 | V | A | 0.7727 | |
| 582 | P | A | -0.1860 | |
| 583 | G | A | -1.0560 | |
| 584 | N | A | -2.3447 | |
| 585 | H | A | -2.6425 | |
| 586 | Q | A | -2.6096 | |
| 587 | Q | A | -2.2939 | |
| 588 | P | A | -1.5518 | |
| 589 | P | A | -1.4803 | |
| 590 | Q | A | -2.1489 | |
| 591 | Q | A | -1.9723 | |
| 592 | S | A | -1.3139 | |
| 593 | T | A | -0.3462 | |
| 594 | G | A | 0.3299 | |
| 595 | F | A | 1.1065 | |
| 596 | P | A | -0.3887 | |
| 597 | R | A | -1.7972 | |
| 598 | S | A | -1.5418 | |
| 599 | S | A | -1.2420 | |
| 600 | Q | A | -1.2681 | |
| 601 | P | A | -0.0688 | |
| 602 | Y | A | 1.1974 | |
| 603 | Y | A | 0.8822 | |
| 604 | N | A | -0.9435 | |
| 605 | S | A | -1.1373 | |
| 606 | R | A | -1.9697 | |
| 607 | G | A | -0.9652 | |
| 608 | V | A | 0.5378 | |
| 609 | S | A | -0.5978 | |
| 610 | R | A | -1.9522 | |
| 611 | G | A | -1.4926 | |
| 612 | G | A | -1.6621 | |
| 613 | S | A | -1.5275 | |
| 614 | R | A | -2.2748 | |
| 615 | G | A | -1.8201 | |
| 616 | A | A | -1.5057 | |
| 617 | R | A | -1.7936 | |
| 618 | G | A | -0.2446 | |
| 619 | L | A | 1.1691 | |
| 620 | M | A | 1.0376 | |
| 621 | N | A | -0.4434 | |
| 622 | G | A | -0.6986 | |
| 623 | Y | A | -0.1659 | |
| 624 | R | A | -1.5865 | |
| 625 | G | A | -1.2431 | |
| 626 | P | A | -1.2458 | |
| 627 | A | A | -0.8824 | |
| 628 | N | A | -1.3481 | |
| 629 | G | A | -0.7662 | |
| 630 | F | A | 0.3584 | |
| 631 | R | A | -1.3411 | |
| 632 | G | A | -1.0557 | |
| 633 | G | A | -0.8015 | |
| 634 | Y | A | 0.0335 | |
| 635 | D | A | -1.4553 | |
| 636 | G | A | -0.8328 | |
| 637 | Y | A | -0.0479 | |
| 638 | R | A | -1.4220 | |
| 639 | S | A | -0.4820 | |
| 640 | S | A | 0.1719 | |
| 641 | F | A | 1.1540 | |
| 642 | S | A | -0.0095 | |
| 643 | N | A | -1.2384 | |
| 644 | T | A | -0.9033 | |
| 645 | P | A | -1.4020 | |
| 646 | N | A | -1.6816 | |
| 647 | S | A | -0.8833 | |
| 648 | G | A | -0.5228 | |
| 649 | Y | A | 0.5907 | |
| 650 | T | A | -0.2868 | |
| 651 | Q | A | -1.1858 | |
| 652 | S | A | -0.9856 | |
| 653 | Q | A | -0.8811 | |
| 654 | F | A | 0.5440 | |
| 655 | N | A | -0.6237 | |
| 656 | A | A | -0.8657 | |
| 657 | P | A | -1.6957 | |
| 658 | R | A | -2.5224 | |
| 659 | D | A | -2.2155 | |
| 660 | Y | A | -0.1050 | |
| 661 | S | A | -0.1875 | |
| 662 | G | A | -0.2815 | |
| 663 | Y | A | -0.0358 | |
| 664 | Q | A | -2.0023 | |
| 665 | R | A | -3.1476 | |
| 666 | D | A | -3.0565 | |
| 667 | G | A | -1.9084 | |
| 668 | Y | A | -0.4894 | |
| 669 | Q | A | -1.5778 | |
| 670 | Q | A | -1.6901 | |
| 671 | N | A | -1.5775 | |
| 672 | F | A | -0.3227 | |
| 673 | K | A | -2.0808 | |
| 674 | R | A | -2.6750 | |
| 675 | G | A | -1.9803 | |
| 676 | S | A | -1.5290 | |
| 677 | G | A | -1.3405 | |
| 678 | Q | A | -1.7391 | |
| 679 | S | A | -1.2825 | |
| 680 | G | A | -1.3976 | |
| 681 | P | A | -1.6582 | |
| 682 | R | A | -2.2851 | |
| 683 | G | A | -1.4369 | |
| 684 | A | A | -1.0771 | |
| 685 | P | A | -1.3221 | |
| 686 | R | A | -2.5590 | |
| 687 | G | A | -2.4271 | |
| 688 | R | A | -2.7711 | |
| 689 | G | A | -1.7472 | |
| 690 | G | A | -1.2453 | |
| 691 | P | A | -1.0921 | |
| 692 | P | A | -1.4149 | |
| 693 | R | A | -2.3934 | |
| 694 | P | A | -2.2747 | |
| 695 | N | A | -2.7624 | |
| 696 | R | A | -2.5240 | |
| 697 | G | A | -1.1825 | |
| 698 | M | A | 0.0545 | |
| 699 | P | A | -0.3296 | |
| 700 | Q | A | -0.8719 | |
| 701 | M | A | -0.2737 | |
| 702 | N | A | -1.2784 | |
| 703 | T | A | -1.2805 | |
| 704 | Q | A | -1.9205 | |
| 705 | Q | A | -1.3332 | |
| 706 | V | A | 0.2379 | |
| 707 | N | A | -0.6659 |
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 | -0.4501 | 5.4036 | View | CSV | PDB |
| 4.5 | -0.5473 | 5.3074 | View | CSV | PDB |
| 5.0 | -0.6692 | 5.2001 | View | CSV | PDB |
| 5.5 | -0.7941 | 5.0886 | View | CSV | PDB |
| 6.0 | -0.8997 | 4.9759 | View | CSV | PDB |
| 6.5 | -0.9703 | 4.8628 | View | CSV | PDB |
| 7.0 | -1.0037 | 4.8209 | View | CSV | PDB |
| 7.5 | -1.0114 | 4.8209 | View | CSV | PDB |
| 8.0 | -1.0053 | 4.8209 | View | CSV | PDB |
| 8.5 | -0.9893 | 4.8209 | View | CSV | PDB |
| 9.0 | -0.9624 | 4.8209 | 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