| Chain sequence(s) | MAKKSAENGIYSVSGDEKKGPLIVSGPDGAPSKGDGPAGLGAPSSRLAVPPRETWTRQMDFIMSCVGFAVGLGNVWRFPYLCYKNGGGVFLIPYVLIALVGGIPIFFLEISLGQFMKAGSINVWNICPLFKGLGYASMVIVFYCNTYYIMVLAWGFYYLVKSFTTTLPWATCGHTWNTPDCVEIFRHEDCANASLANLTCDQLADRRSPVIEFWENKVLRLSTGLEVPGALNWEVTLCLLACWVLVYFCVWKGVKSTGKIVYFTATFPYVVLVVLLVRGVLLPGALDGIIYYLKPDWSKLGSPQVWIDAGTQIFFSYAIGLGALTALGSYNRFNNNCYKDAIILALINSGTSFFAGFVVFSILGFMATEQGVHISKVAESGPGLAFIAYPRAVTLMPVAPLWAALFFFMLLLLGLDSQFVGVEGFITGLLDLLPASYYFRFQREISVALCCALCFVIDLSMVTDGGMYVFQLFDYYSASGTTLLWQAFWECVVVAWVYGADRFMDDIACMIGYRPCPWMKWCWSFFTPLVCMGIFIFNVVYYKPLVYNNTYVYPWWGEAMGWAFALSSMLCVPLHLLGCLLRAKGTMAERWQHLTQPIWGLHHLEYRAQDADVRGLTTLTPVSESSKVVVVESVM 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] (00:00:01)
[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 A 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f2e507db0496c9/tmp/folded.pdb (00:07:19)
[INFO] Main: Simulation completed successfully. (00:17:40)
|
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 | 0.7391 | |
| 2 | A | A | -0.6683 | |
| 3 | K | A | -2.3982 | |
| 4 | K | A | -2.8832 | |
| 5 | S | A | -2.0825 | |
| 6 | A | A | -1.9226 | |
| 7 | E | A | -2.5517 | |
| 8 | N | A | -1.7177 | |
| 9 | G | A | -0.3017 | |
| 10 | I | A | 2.0224 | |
| 11 | Y | A | 2.3285 | |
| 12 | S | A | 1.6500 | |
| 13 | V | A | 1.7826 | |
| 14 | S | A | -0.1306 | |
| 15 | G | A | -1.6586 | |
| 16 | D | A | -3.3072 | |
| 17 | E | A | -4.1332 | |
| 18 | K | A | -4.0026 | |
| 19 | K | A | -3.2620 | |
| 20 | G | A | -1.4327 | |
| 21 | P | A | 0.5125 | |
| 22 | L | A | 2.5290 | |
| 23 | I | A | 3.3832 | |
| 24 | V | A | 2.8875 | |
| 25 | S | A | 0.8856 | |
| 26 | G | A | -0.4246 | |
| 27 | P | A | -1.3140 | |
| 28 | D | A | -2.2761 | |
| 29 | G | A | -1.4825 | |
| 30 | A | A | -0.9877 | |
| 31 | P | A | -1.0355 | |
| 32 | S | A | -1.4863 | |
| 33 | K | A | -2.6122 | |
| 34 | G | A | -2.4277 | |
| 35 | D | A | -2.7672 | |
| 36 | G | A | -1.8903 | |
| 37 | P | A | -0.8478 | |
| 38 | A | A | -0.3237 | |
| 39 | G | A | 0.0564 | |
| 40 | L | A | 1.0420 | |
| 41 | G | A | 0.0869 | |
| 42 | A | A | -0.0462 | |
| 43 | P | A | -0.5744 | |
| 44 | S | A | -0.8233 | |
| 45 | S | A | -0.8107 | |
| 46 | R | A | -1.2170 | |
| 47 | L | A | 1.1328 | |
| 48 | A | A | 0.4706 | |
| 49 | V | A | 0.9552 | |
| 50 | P | A | -0.2025 | |
| 51 | P | A | -1.0310 | |
| 52 | R | A | -1.7273 | |
| 53 | E | A | -2.7771 | |
| 54 | T | A | -2.2885 | |
| 55 | W | A | 0.0000 | |
| 56 | T | A | -2.1597 | |
| 57 | R | A | -2.8395 | |
| 58 | Q | A | -2.1591 | |
| 59 | M | A | -0.7665 | |
| 60 | D | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | I | A | 0.0442 | |
| 63 | M | A | 0.4166 | |
| 64 | S | A | 0.0000 | |
| 65 | C | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | V | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | N | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | W | A | -0.2982 | |
| 77 | R | A | -0.6021 | |
| 78 | F | A | 0.0000 | |
| 79 | P | A | 0.0000 | |
| 80 | Y | A | -0.5685 | |
| 81 | L | A | 0.0000 | |
| 82 | C | A | 0.0000 | |
| 83 | Y | A | -0.6923 | |
| 84 | K | A | -1.4174 | |
| 85 | N | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | G | A | 0.0175 | |
| 89 | V | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | L | A | 1.3958 | |
| 92 | I | A | 1.6903 | |
| 93 | P | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | V | A | 2.7349 | |
| 96 | L | A | 2.3169 | |
| 97 | I | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | L | A | 1.9171 | |
| 100 | V | A | 1.7289 | |
| 101 | G | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | I | A | 0.9778 | |
| 104 | P | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | F | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | E | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | G | A | 0.0000 | |
| 114 | Q | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | M | A | 0.0000 | |
| 117 | K | A | -0.9215 | |
| 118 | A | A | 0.0000 | |
| 119 | G | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | N | A | -0.0038 | |
| 123 | V | A | 0.0000 | |
| 124 | W | A | 0.0000 | |
| 125 | N | A | 0.1928 | |
| 126 | I | A | 0.0000 | |
| 127 | C | A | 0.0000 | |
| 128 | P | A | -0.0978 | |
| 129 | L | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -0.2204 | |
| 132 | G | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | Y | A | 0.7379 | |
| 136 | A | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | M | A | 0.0000 | |
| 139 | V | A | 0.7415 | |
| 140 | I | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.5443 | |
| 143 | Y | A | 0.4505 | |
| 144 | C | A | 0.2352 | |
| 145 | N | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | Y | A | 0.0749 | |
| 149 | I | A | 0.0000 | |
| 150 | M | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | W | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | F | A | 0.9020 | |
| 157 | Y | A | 0.0000 | |
| 158 | Y | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | V | A | 1.8565 | |
| 161 | K | A | 0.8083 | |
| 162 | S | A | 0.0000 | |
| 163 | F | A | 2.2689 | |
| 164 | T | A | 1.0151 | |
| 165 | T | A | 0.5550 | |
| 166 | T | A | 0.2971 | |
| 167 | L | A | 0.0000 | |
| 168 | P | A | 0.0000 | |
| 169 | W | A | 0.0000 | |
| 170 | A | A | -0.1609 | |
| 171 | T | A | -0.2742 | |
| 172 | C | A | -0.7194 | |
| 173 | G | A | -0.5960 | |
| 174 | H | A | -0.5659 | |
| 175 | T | A | -0.4179 | |
| 176 | W | A | -0.6260 | |
| 177 | N | A | -0.7923 | |
| 178 | T | A | -0.9325 | |
| 179 | P | A | -1.0016 | |
| 180 | D | A | -1.9504 | |
| 181 | C | A | -1.2303 | |
| 182 | V | A | -0.5264 | |
| 183 | E | A | -0.6686 | |
| 184 | I | A | 0.5071 | |
| 185 | F | A | -0.7201 | |
| 186 | R | A | -2.5659 | |
| 187 | H | A | -2.6607 | |
| 188 | E | A | -3.4926 | |
| 189 | D | A | -2.4151 | |
| 190 | C | A | -1.5512 | |
| 191 | A | A | -1.7903 | |
| 192 | N | A | -1.7924 | |
| 193 | A | A | -0.6762 | |
| 194 | S | A | -0.1407 | |
| 195 | L | A | 0.8655 | |
| 196 | A | A | -0.0417 | |
| 197 | N | A | -0.9117 | |
| 198 | L | A | -0.4447 | |
| 199 | T | A | -0.7014 | |
| 200 | C | A | -0.8626 | |
| 201 | D | A | -2.1872 | |
| 202 | Q | A | -2.2306 | |
| 203 | L | A | -1.3037 | |
| 204 | A | A | -1.6725 | |
| 205 | D | A | -2.8408 | |
| 206 | R | A | -2.4508 | |
| 207 | R | A | -1.8186 | |
| 208 | S | A | 0.0000 | |
| 209 | P | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | I | A | 0.0873 | |
| 212 | E | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | W | A | 0.0000 | |
| 215 | E | A | -0.8054 | |
| 216 | N | A | -1.4623 | |
| 217 | K | A | -1.2010 | |
| 218 | V | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -1.6740 | |
| 221 | L | A | -0.6628 | |
| 222 | S | A | -0.5111 | |
| 223 | T | A | -0.2499 | |
| 224 | G | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -1.3470 | |
| 227 | V | A | -0.0533 | |
| 228 | P | A | -0.3311 | |
| 229 | G | A | -0.5152 | |
| 230 | A | A | 0.1386 | |
| 231 | L | A | 0.6998 | |
| 232 | N | A | 0.0000 | |
| 233 | W | A | 1.3117 | |
| 234 | E | A | 0.1054 | |
| 235 | V | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | L | A | 1.4075 | |
| 238 | C | A | 1.2211 | |
| 239 | L | A | 0.0000 | |
| 240 | L | A | 1.7730 | |
| 241 | A | A | 1.5292 | |
| 242 | C | A | 0.0000 | |
| 243 | W | A | 0.0000 | |
| 244 | V | A | 2.8551 | |
| 245 | L | A | 2.2656 | |
| 246 | V | A | 0.0000 | |
| 247 | Y | A | 2.2855 | |
| 248 | F | A | 2.6665 | |
| 249 | C | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | W | A | 0.7567 | |
| 252 | K | A | -0.4479 | |
| 253 | G | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | K | A | -2.5912 | |
| 256 | S | A | -1.0034 | |
| 257 | T | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | K | A | -1.1610 | |
| 260 | I | A | 0.4037 | |
| 261 | V | A | 0.0000 | |
| 262 | Y | A | 1.1711 | |
| 263 | F | A | 1.9377 | |
| 264 | T | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | T | A | 1.3481 | |
| 267 | F | A | 1.7600 | |
| 268 | P | A | 0.0000 | |
| 269 | Y | A | 1.9313 | |
| 270 | V | A | 2.8641 | |
| 271 | V | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | V | A | 3.0678 | |
| 274 | V | A | 2.6031 | |
| 275 | L | A | 0.0000 | |
| 276 | L | A | 2.5433 | |
| 277 | V | A | 2.9418 | |
| 278 | R | A | 1.6942 | |
| 279 | G | A | 0.0000 | |
| 280 | V | A | 2.7430 | |
| 281 | L | A | 2.5657 | |
| 282 | L | A | 1.3648 | |
| 283 | P | A | 0.2778 | |
| 284 | G | A | 0.0265 | |
| 285 | A | A | 0.0000 | |
| 286 | L | A | 1.7077 | |
| 287 | D | A | -0.4561 | |
| 288 | G | A | 0.0000 | |
| 289 | I | A | 1.2852 | |
| 290 | I | A | 1.3980 | |
| 291 | Y | A | 0.5305 | |
| 292 | Y | A | 0.0000 | |
| 293 | L | A | 0.2365 | |
| 294 | K | A | -0.9709 | |
| 295 | P | A | -0.7237 | |
| 296 | D | A | -1.0219 | |
| 297 | W | A | 0.2468 | |
| 298 | S | A | -0.2528 | |
| 299 | K | A | -0.8441 | |
| 300 | L | A | -0.0320 | |
| 301 | G | A | -0.4897 | |
| 302 | S | A | -0.5849 | |
| 303 | P | A | -0.6216 | |
| 304 | Q | A | -1.0369 | |
| 305 | V | A | 0.0000 | |
| 306 | W | A | 0.1846 | |
| 307 | I | A | 0.0000 | |
| 308 | D | A | -0.5329 | |
| 309 | A | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | T | A | 0.1326 | |
| 312 | Q | A | 0.0000 | |
| 313 | I | A | 0.0000 | |
| 314 | F | A | 0.0000 | |
| 315 | F | A | 0.6237 | |
| 316 | S | A | 0.0000 | |
| 317 | Y | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | I | A | 0.0000 | |
| 320 | G | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | G | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | T | A | 0.0000 | |
| 326 | A | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | Y | A | 0.0000 | |
| 331 | N | A | 0.0000 | |
| 332 | R | A | -2.8359 | |
| 333 | F | A | -1.3232 | |
| 334 | N | A | -1.7954 | |
| 335 | N | A | 0.0000 | |
| 336 | N | A | -1.4623 | |
| 337 | C | A | 0.0000 | |
| 338 | Y | A | -0.5626 | |
| 339 | K | A | -1.2337 | |
| 340 | D | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | I | A | 1.0044 | |
| 343 | I | A | 1.2983 | |
| 344 | L | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | L | A | 2.1051 | |
| 347 | I | A | 1.5021 | |
| 348 | N | A | 0.0000 | |
| 349 | S | A | 1.0696 | |
| 350 | G | A | 0.7344 | |
| 351 | T | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | F | A | 1.0714 | |
| 354 | F | A | 1.1441 | |
| 355 | A | A | 0.0000 | |
| 356 | G | A | 0.0000 | |
| 357 | F | A | 1.3714 | |
| 358 | V | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | F | A | 0.0000 | |
| 361 | S | A | 0.0000 | |
| 362 | I | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | G | A | 0.0000 | |
| 365 | F | A | 0.0000 | |
| 366 | M | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | T | A | -0.9550 | |
| 369 | E | A | -0.7556 | |
| 370 | Q | A | 0.0000 | |
| 371 | G | A | -1.6982 | |
| 372 | V | A | -1.4067 | |
| 373 | H | A | -1.6336 | |
| 374 | I | A | 0.0000 | |
| 375 | S | A | -1.4372 | |
| 376 | K | A | -2.1713 | |
| 377 | V | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | E | A | -1.6487 | |
| 380 | S | A | -1.0095 | |
| 381 | G | A | -0.6177 | |
| 382 | P | A | -0.3709 | |
| 383 | G | A | -0.5188 | |
| 384 | L | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | F | A | 0.0000 | |
| 387 | I | A | 0.1352 | |
| 388 | A | A | 0.0000 | |
| 389 | Y | A | 0.0000 | |
| 390 | P | A | 0.0000 | |
| 391 | R | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | V | A | 0.0000 | |
| 394 | T | A | 0.4436 | |
| 395 | L | A | 0.6053 | |
| 396 | M | A | 0.0000 | |
| 397 | P | A | 0.8445 | |
| 398 | V | A | 1.9820 | |
| 399 | A | A | 1.1641 | |
| 400 | P | A | 1.3735 | |
| 401 | L | A | 1.8510 | |
| 402 | W | A | 1.1068 | |
| 403 | A | A | 0.0000 | |
| 404 | A | A | 1.2706 | |
| 405 | L | A | 1.1067 | |
| 406 | F | A | 0.0000 | |
| 407 | F | A | 0.0000 | |
| 408 | F | A | 0.9595 | |
| 409 | M | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | L | A | 0.0000 | |
| 416 | D | A | 0.0000 | |
| 417 | S | A | 0.0066 | |
| 418 | Q | A | 0.0000 | |
| 419 | F | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | V | A | 0.0000 | |
| 423 | E | A | 0.0000 | |
| 424 | G | A | 0.0000 | |
| 425 | F | A | 0.4847 | |
| 426 | I | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | G | A | 0.0000 | |
| 429 | L | A | 0.9265 | |
| 430 | L | A | 0.7663 | |
| 431 | D | A | 0.3588 | |
| 432 | L | A | 1.1239 | |
| 433 | L | A | 1.2752 | |
| 434 | P | A | 0.7214 | |
| 435 | A | A | 1.0005 | |
| 436 | S | A | 0.9007 | |
| 437 | Y | A | 2.2020 | |
| 438 | Y | A | 2.2258 | |
| 439 | F | A | 2.2148 | |
| 440 | R | A | 0.0549 | |
| 441 | F | A | 1.6170 | |
| 442 | Q | A | 0.0000 | |
| 443 | R | A | 0.8408 | |
| 444 | E | A | 0.0000 | |
| 445 | I | A | 1.7601 | |
| 446 | S | A | 1.3750 | |
| 447 | V | A | 0.0000 | |
| 448 | A | A | 1.8687 | |
| 449 | L | A | 2.2404 | |
| 450 | C | A | 0.0000 | |
| 451 | C | A | 0.0000 | |
| 452 | A | A | 2.1316 | |
| 453 | L | A | 2.5136 | |
| 454 | C | A | 0.0000 | |
| 455 | F | A | 2.1204 | |
| 456 | V | A | 2.7253 | |
| 457 | I | A | 1.9088 | |
| 458 | D | A | 0.0000 | |
| 459 | L | A | 1.5882 | |
| 460 | S | A | 0.7440 | |
| 461 | M | A | 0.0000 | |
| 462 | V | A | 0.0000 | |
| 463 | T | A | 0.2338 | |
| 464 | D | A | -0.5972 | |
| 465 | G | A | 0.0000 | |
| 466 | G | A | 0.0000 | |
| 467 | M | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | V | A | 0.0808 | |
| 470 | F | A | 0.0000 | |
| 471 | Q | A | -0.1230 | |
| 472 | L | A | 0.0000 | |
| 473 | F | A | 0.0000 | |
| 474 | D | A | -0.3959 | |
| 475 | Y | A | 0.2276 | |
| 476 | Y | A | 0.0000 | |
| 477 | S | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | S | A | 0.0517 | |
| 480 | G | A | 0.0248 | |
| 481 | T | A | 0.4475 | |
| 482 | T | A | 0.0000 | |
| 483 | L | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | W | A | 0.5290 | |
| 486 | Q | A | 0.0000 | |
| 487 | A | A | 0.0000 | |
| 488 | F | A | 0.8601 | |
| 489 | W | A | 0.5012 | |
| 490 | E | A | 0.0000 | |
| 491 | C | A | 0.0000 | |
| 492 | V | A | 1.0305 | |
| 493 | V | A | 0.0000 | |
| 494 | V | A | 0.0000 | |
| 495 | A | A | 0.0000 | |
| 496 | W | A | 1.3368 | |
| 497 | V | A | 0.8840 | |
| 498 | Y | A | 0.0000 | |
| 499 | G | A | -0.5940 | |
| 500 | A | A | 0.0000 | |
| 501 | D | A | -3.0151 | |
| 502 | R | A | -2.9092 | |
| 503 | F | A | 0.0000 | |
| 504 | M | A | 0.0000 | |
| 505 | D | A | -2.6792 | |
| 506 | D | A | -1.5682 | |
| 507 | I | A | 0.0000 | |
| 508 | A | A | -1.2316 | |
| 509 | C | A | -0.4695 | |
| 510 | M | A | 0.0000 | |
| 511 | I | A | -0.8451 | |
| 512 | G | A | -0.7049 | |
| 513 | Y | A | -0.4363 | |
| 514 | R | A | -1.9291 | |
| 515 | P | A | 0.0000 | |
| 516 | C | A | 0.0346 | |
| 517 | P | A | -0.3927 | |
| 518 | W | A | 0.5887 | |
| 519 | M | A | 0.0000 | |
| 520 | K | A | -0.1920 | |
| 521 | W | A | 1.0773 | |
| 522 | C | A | 0.0000 | |
| 523 | W | A | 0.0000 | |
| 524 | S | A | 0.0000 | |
| 525 | F | A | 2.2947 | |
| 526 | F | A | 2.1839 | |
| 527 | T | A | 0.0000 | |
| 528 | P | A | 0.0000 | |
| 529 | L | A | 2.2918 | |
| 530 | V | A | 1.7232 | |
| 531 | C | A | 0.0000 | |
| 532 | M | A | 1.2817 | |
| 533 | G | A | 0.9263 | |
| 534 | I | A | 0.0000 | |
| 535 | F | A | 0.0000 | |
| 536 | I | A | 3.1258 | |
| 537 | F | A | 2.4328 | |
| 538 | N | A | 1.8268 | |
| 539 | V | A | 3.1573 | |
| 540 | V | A | 3.5997 | |
| 541 | Y | A | 2.8206 | |
| 542 | Y | A | 1.8563 | |
| 543 | K | A | -0.5454 | |
| 544 | P | A | -0.0037 | |
| 545 | L | A | 0.0000 | |
| 546 | V | A | 0.2925 | |
| 547 | Y | A | 0.0000 | |
| 548 | N | A | -1.5120 | |
| 549 | N | A | -1.4120 | |
| 550 | T | A | -0.4173 | |
| 551 | Y | A | 0.5405 | |
| 552 | V | A | 1.7994 | |
| 553 | Y | A | 0.0000 | |
| 554 | P | A | 0.9299 | |
| 555 | W | A | 1.8159 | |
| 556 | W | A | 1.4349 | |
| 557 | G | A | 0.0000 | |
| 558 | E | A | 1.0472 | |
| 559 | A | A | 1.0697 | |
| 560 | M | A | 1.0996 | |
| 561 | G | A | 0.0000 | |
| 562 | W | A | 1.2027 | |
| 563 | A | A | 0.7893 | |
| 564 | F | A | 0.8509 | |
| 565 | A | A | 0.0000 | |
| 566 | L | A | 1.0442 | |
| 567 | S | A | 0.7294 | |
| 568 | S | A | 0.0000 | |
| 569 | M | A | 0.0000 | |
| 570 | L | A | 1.3639 | |
| 571 | C | A | 1.1184 | |
| 572 | V | A | 0.0000 | |
| 573 | P | A | 1.2224 | |
| 574 | L | A | 2.0959 | |
| 575 | H | A | 1.3113 | |
| 576 | L | A | 1.4177 | |
| 577 | L | A | 1.8156 | |
| 578 | G | A | 1.0131 | |
| 579 | C | A | 0.4565 | |
| 580 | L | A | 0.8548 | |
| 581 | L | A | 0.8470 | |
| 582 | R | A | -1.3676 | |
| 583 | A | A | -1.4503 | |
| 584 | K | A | -2.3185 | |
| 585 | G | A | -1.6884 | |
| 586 | T | A | -0.6665 | |
| 587 | M | A | 0.2379 | |
| 588 | A | A | -0.5457 | |
| 589 | E | A | -2.0553 | |
| 590 | R | A | -1.5573 | |
| 591 | W | A | -0.6942 | |
| 592 | Q | A | -1.9855 | |
| 593 | H | A | -2.1804 | |
| 594 | L | A | -0.7564 | |
| 595 | T | A | -0.7794 | |
| 596 | Q | A | -0.8507 | |
| 597 | P | A | 0.3033 | |
| 598 | I | A | 1.5549 | |
| 599 | W | A | 1.3575 | |
| 600 | G | A | 0.9140 | |
| 601 | L | A | 1.2643 | |
| 602 | H | A | -0.0923 | |
| 603 | H | A | 0.0000 | |
| 604 | L | A | -0.2160 | |
| 605 | E | A | -1.7895 | |
| 606 | Y | A | -1.4436 | |
| 607 | R | A | -2.0243 | |
| 608 | A | A | -2.0587 | |
| 609 | Q | A | -2.6082 | |
| 610 | D | A | -2.0984 | |
| 611 | A | A | -1.8135 | |
| 612 | D | A | -2.0103 | |
| 613 | V | A | -0.2469 | |
| 614 | R | A | -1.3983 | |
| 615 | G | A | -0.4360 | |
| 616 | L | A | 1.3185 | |
| 617 | T | A | 0.5770 | |
| 618 | T | A | 0.7145 | |
| 619 | L | A | 1.8279 | |
| 620 | T | A | 1.1347 | |
| 621 | P | A | 0.7342 | |
| 622 | V | A | 1.3589 | |
| 623 | S | A | -0.3685 | |
| 624 | E | A | -1.9835 | |
| 625 | S | A | -1.2473 | |
| 626 | S | A | -0.9054 | |
| 627 | K | A | -0.5850 | |
| 628 | V | A | 2.3686 | |
| 629 | V | A | 3.2596 | |
| 630 | V | A | 3.2452 | |
| 631 | V | A | 2.5372 | |
| 632 | E | A | 0.1668 | |
| 633 | S | A | 0.7481 | |
| 634 | V | A | 1.9162 | |
| 635 | M | A | 1.6466 |
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 | 0.361 | 5.369 | View | CSV | PDB |
| 4.5 | 0.3286 | 5.3581 | View | CSV | PDB |
| 5.0 | 0.2906 | 5.3435 | View | CSV | PDB |
| 5.5 | 0.2545 | 5.3276 | View | CSV | PDB |
| 6.0 | 0.2272 | 5.3128 | View | CSV | PDB |
| 6.5 | 0.2126 | 5.3017 | View | CSV | PDB |
| 7.0 | 0.2096 | 5.2954 | View | CSV | PDB |
| 7.5 | 0.2136 | 5.2927 | View | CSV | PDB |
| 8.0 | 0.2215 | 5.2918 | View | CSV | PDB |
| 8.5 | 0.2329 | 5.2915 | View | CSV | PDB |
| 9.0 | 0.2489 | 5.2914 | 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