| Chain sequence(s) | MAGHGWGTAWVLVAAATLLHAGGLAQGDCWLIEGDKGFVWLAICSQNQPPYEAIPQQINNTIVDLRLNENRIRSVQYASLSRFGNLTYLNLTKNEIGYIEDGAFSGQFNLQVLQLGYNRLRNLTEGMLRGLSKLEYLYLQANLIEVVMASAFWECPNIVNIDLSMNRIQQLGSGTFAGLTKLSVCEIYSNPFYCSCELLGFLRWLAAFTNATQTHDRVQCESPPVYAGYFLLGQGRHGHQRSILSKLQSVCTEGSYTAEVLGPPRPVPGRSQPGHSPPPPPPEPSDMPCADDECFSGDGTTPLVILTTLVPQTEARPSMKVKQLTQNSATIMVQLPSPFNRMYTLEQYNNSKSFTVSKLTQPQEEIRLTNLYTLTNYTYCVVSTSSGTHHNHTCLTICLPKPPSPPGPVPSPSTATHYIMTILGCLFGMVLVLGAVYYCLRKRRRQEEKHKKAVAAAAGSLKKTIIELKYGPEIEAPGLAPLTQGPLLGPEAVTRIPYLPAATSDVEQYKLVESSETPKATKGNYIEVRTGEPQERRGCELSRPGEPQSSVAEISTIAKEVDRVNQIINNCIDALKSESTSFQGAKSGAVSAAEPQLVLLSEPLASKHSFLSPVYKDAFGHGGLQRHHSVEAAPGPPRASTSSSGSARSPRTFRAEATGTHKAPATETKYIEKSSPVPETILTVTPAATVLRAEADKSRQYGEHRHSYPGSHPAEPPAPPPPPPTHEGLGGRKASILEPLTRPRPRDLVYSQLSPQYHNLSYSSSPEYTCRASPSIWERLRLSRRRHKDDAEFMAAGHALRKKVQFAKDEDLHDILDYWKGVSAQHKS 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 (00:11:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5a923d82bbe277/tmp/folded.pdb (00:11:00)
[INFO] Main: Simulation completed successfully. (00:23:12)
|
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 | 0.8565 | |
| 2 | A | A | 0.0125 | |
| 3 | G | A | -0.6519 | |
| 4 | H | A | -1.1027 | |
| 5 | G | A | -0.4944 | |
| 6 | W | A | 0.9197 | |
| 7 | G | A | 0.7460 | |
| 8 | T | A | 1.4794 | |
| 9 | A | A | 2.2876 | |
| 10 | W | A | 3.2434 | |
| 11 | V | A | 3.6655 | |
| 12 | L | A | 3.7361 | |
| 13 | V | A | 3.8882 | |
| 14 | A | A | 2.8883 | |
| 15 | A | A | 2.6808 | |
| 16 | A | A | 2.2774 | |
| 17 | T | A | 1.7318 | |
| 18 | L | A | 2.2574 | |
| 19 | L | A | 1.8434 | |
| 20 | H | A | 0.0310 | |
| 21 | A | A | 0.4322 | |
| 22 | G | A | 0.2203 | |
| 23 | G | A | 0.0913 | |
| 24 | L | A | 0.8170 | |
| 25 | A | A | -0.4817 | |
| 26 | Q | A | -1.5004 | |
| 27 | G | A | -1.6882 | |
| 28 | D | A | -2.2570 | |
| 29 | C | A | -0.8544 | |
| 30 | W | A | -0.0496 | |
| 31 | L | A | 0.4978 | |
| 32 | I | A | 0.0063 | |
| 33 | E | A | -1.6295 | |
| 34 | G | A | -1.6084 | |
| 35 | D | A | -2.6400 | |
| 36 | K | A | -2.5106 | |
| 37 | G | A | -1.3426 | |
| 38 | F | A | 0.1836 | |
| 39 | V | A | -0.2265 | |
| 40 | W | A | -0.0788 | |
| 41 | L | A | 0.0000 | |
| 42 | A | A | 0.0000 | |
| 43 | I | A | 0.0000 | |
| 44 | C | A | 0.0000 | |
| 45 | S | A | -1.4332 | |
| 46 | Q | A | -2.3313 | |
| 47 | N | A | 0.0000 | |
| 48 | Q | A | -2.1208 | |
| 49 | P | A | -1.8105 | |
| 50 | P | A | -1.9387 | |
| 51 | Y | A | -2.0233 | |
| 52 | E | A | -3.0446 | |
| 53 | A | A | -1.9088 | |
| 54 | I | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | Q | A | -2.0182 | |
| 57 | Q | A | -2.0902 | |
| 58 | I | A | 0.0000 | |
| 59 | N | A | -1.6274 | |
| 60 | N | A | -2.0513 | |
| 61 | T | A | -0.8478 | |
| 62 | I | A | 0.0000 | |
| 63 | V | A | -0.1891 | |
| 64 | D | A | -0.0415 | |
| 65 | L | A | 0.0000 | |
| 66 | R | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | N | A | 0.0000 | |
| 69 | E | A | -1.7256 | |
| 70 | N | A | 0.0000 | |
| 71 | R | A | -3.5784 | |
| 72 | I | A | 0.0000 | |
| 73 | R | A | -2.8562 | |
| 74 | S | A | -1.4932 | |
| 75 | V | A | 0.0000 | |
| 76 | Q | A | -0.9276 | |
| 77 | Y | A | -0.2127 | |
| 78 | A | A | -0.2097 | |
| 79 | S | A | -0.4271 | |
| 80 | L | A | 0.0000 | |
| 81 | S | A | -0.4332 | |
| 82 | R | A | -1.3510 | |
| 83 | F | A | 0.0000 | |
| 84 | G | A | -0.7310 | |
| 85 | N | A | -1.2292 | |
| 86 | L | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | N | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | T | A | -0.5528 | |
| 93 | K | A | -1.6175 | |
| 94 | N | A | 0.0000 | |
| 95 | E | A | -2.5406 | |
| 96 | I | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | Y | A | -0.0200 | |
| 99 | I | A | 0.0000 | |
| 100 | E | A | -1.7944 | |
| 101 | D | A | -2.6415 | |
| 102 | G | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | S | A | -0.3696 | |
| 106 | G | A | 0.0036 | |
| 107 | Q | A | 0.0000 | |
| 108 | F | A | 0.9286 | |
| 109 | N | A | -0.1051 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | -0.5310 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | Q | A | -0.2009 | |
| 115 | L | A | 0.0000 | |
| 116 | G | A | 0.0000 | |
| 117 | Y | A | 0.2779 | |
| 118 | N | A | 0.0000 | |
| 119 | R | A | -1.0208 | |
| 120 | L | A | 0.0000 | |
| 121 | R | A | -0.9355 | |
| 122 | N | A | -0.5326 | |
| 123 | L | A | 0.0000 | |
| 124 | T | A | -0.5850 | |
| 125 | E | A | -1.2229 | |
| 126 | G | A | -1.9838 | |
| 127 | M | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | R | A | -2.3363 | |
| 130 | G | A | -0.7959 | |
| 131 | L | A | 0.0000 | |
| 132 | S | A | -0.7574 | |
| 133 | K | A | -1.2504 | |
| 134 | L | A | 0.0000 | |
| 135 | E | A | -1.0616 | |
| 136 | Y | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | Y | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | Q | A | 0.2605 | |
| 141 | A | A | 0.1949 | |
| 142 | N | A | 0.0000 | |
| 143 | L | A | -0.3199 | |
| 144 | I | A | 0.0000 | |
| 145 | E | A | -1.6801 | |
| 146 | V | A | -0.2085 | |
| 147 | V | A | 0.0000 | |
| 148 | M | A | 0.5380 | |
| 149 | A | A | 0.2520 | |
| 150 | S | A | 0.1074 | |
| 151 | A | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | W | A | 0.4043 | |
| 154 | E | A | -0.8435 | |
| 155 | C | A | 0.0000 | |
| 156 | P | A | -0.7972 | |
| 157 | N | A | -1.3840 | |
| 158 | I | A | 0.0000 | |
| 159 | V | A | -0.2813 | |
| 160 | N | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | D | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | M | A | 0.3240 | |
| 166 | N | A | 0.0000 | |
| 167 | R | A | -1.6209 | |
| 168 | I | A | 0.0000 | |
| 169 | Q | A | -1.4404 | |
| 170 | Q | A | -1.1713 | |
| 171 | L | A | 0.0000 | |
| 172 | G | A | -0.7226 | |
| 173 | S | A | -0.9578 | |
| 174 | G | A | -0.2838 | |
| 175 | T | A | 0.0000 | |
| 176 | F | A | 0.0000 | |
| 177 | A | A | -0.1406 | |
| 178 | G | A | -0.5407 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.9861 | |
| 181 | K | A | -1.6977 | |
| 182 | L | A | -0.5985 | |
| 183 | S | A | -0.3247 | |
| 184 | V | A | -0.2536 | |
| 185 | C | A | -0.0348 | |
| 186 | E | A | -0.6305 | |
| 187 | I | A | 0.0000 | |
| 188 | Y | A | -0.4103 | |
| 189 | S | A | -0.6082 | |
| 190 | N | A | 0.0000 | |
| 191 | P | A | -1.3551 | |
| 192 | F | A | 0.0000 | |
| 193 | Y | A | -0.4514 | |
| 194 | C | A | 0.0000 | |
| 195 | S | A | -0.1505 | |
| 196 | C | A | -0.0802 | |
| 197 | E | A | -1.5619 | |
| 198 | L | A | 0.0000 | |
| 199 | L | A | -1.0358 | |
| 200 | G | A | -1.1604 | |
| 201 | F | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.7905 | |
| 204 | W | A | -0.8532 | |
| 205 | L | A | 0.0000 | |
| 206 | A | A | -0.7274 | |
| 207 | A | A | -0.6599 | |
| 208 | F | A | -0.5351 | |
| 209 | T | A | -1.1914 | |
| 210 | N | A | -1.6640 | |
| 211 | A | A | -0.8439 | |
| 212 | T | A | -0.9826 | |
| 213 | Q | A | -1.9211 | |
| 214 | T | A | -1.7308 | |
| 215 | H | A | -2.6268 | |
| 216 | D | A | -2.5488 | |
| 217 | R | A | -2.7137 | |
| 218 | V | A | 0.0000 | |
| 219 | Q | A | -1.6296 | |
| 220 | C | A | 0.0000 | |
| 221 | E | A | -1.8396 | |
| 222 | S | A | -0.6162 | |
| 223 | P | A | 0.1469 | |
| 224 | P | A | 0.3013 | |
| 225 | V | A | 1.4816 | |
| 226 | Y | A | 0.2322 | |
| 227 | A | A | -0.3385 | |
| 228 | G | A | -0.9631 | |
| 229 | Y | A | -0.9263 | |
| 230 | F | A | -1.3869 | |
| 231 | L | A | 0.0000 | |
| 232 | L | A | -1.3060 | |
| 233 | G | A | -2.1558 | |
| 234 | Q | A | -2.8925 | |
| 235 | G | A | -3.1811 | |
| 236 | R | A | -3.1653 | |
| 237 | H | A | -2.7931 | |
| 238 | G | A | -2.7267 | |
| 239 | H | A | -2.6180 | |
| 240 | Q | A | -3.0987 | |
| 241 | R | A | -2.8976 | |
| 242 | S | A | -1.5796 | |
| 243 | I | A | 0.0000 | |
| 244 | L | A | -0.7184 | |
| 245 | S | A | -1.1417 | |
| 246 | K | A | -1.1479 | |
| 247 | L | A | 0.0000 | |
| 248 | Q | A | -1.2196 | |
| 249 | S | A | -0.8878 | |
| 250 | V | A | -0.1153 | |
| 251 | C | A | -0.6553 | |
| 252 | T | A | -0.9007 | |
| 253 | E | A | -1.8403 | |
| 254 | G | A | -0.8830 | |
| 255 | S | A | -0.3030 | |
| 256 | Y | A | 0.5794 | |
| 257 | T | A | 0.0988 | |
| 258 | A | A | 0.0194 | |
| 259 | E | A | -0.4334 | |
| 260 | V | A | 1.5363 | |
| 261 | L | A | 1.7273 | |
| 262 | G | A | 0.3173 | |
| 263 | P | A | -0.4377 | |
| 264 | P | A | -0.9597 | |
| 265 | R | A | -1.8122 | |
| 266 | P | A | -0.4349 | |
| 267 | V | A | 0.7518 | |
| 268 | P | A | -0.3229 | |
| 269 | G | A | -1.2780 | |
| 270 | R | A | -2.2661 | |
| 271 | S | A | -1.8713 | |
| 272 | Q | A | -1.9552 | |
| 273 | P | A | -1.3310 | |
| 274 | G | A | -1.3339 | |
| 275 | H | A | -1.4206 | |
| 276 | S | A | -0.9929 | |
| 277 | P | A | -0.7244 | |
| 278 | P | A | -0.5876 | |
| 279 | P | A | -0.6007 | |
| 280 | P | A | -0.5961 | |
| 281 | P | A | -0.8673 | |
| 282 | P | A | -1.3369 | |
| 283 | E | A | -2.1681 | |
| 284 | P | A | -1.7814 | |
| 285 | S | A | -1.4900 | |
| 286 | D | A | -1.5126 | |
| 287 | M | A | 0.1813 | |
| 288 | P | A | 0.2650 | |
| 289 | C | A | 0.4154 | |
| 290 | A | A | -1.0023 | |
| 291 | D | A | -2.8015 | |
| 292 | D | A | -3.4640 | |
| 293 | E | A | -2.4226 | |
| 294 | C | A | 0.4916 | |
| 295 | F | A | 1.7708 | |
| 296 | S | A | 0.2308 | |
| 297 | G | A | -1.1416 | |
| 298 | D | A | -2.3501 | |
| 299 | G | A | -1.7354 | |
| 300 | T | A | -0.7877 | |
| 301 | T | A | 0.1758 | |
| 302 | P | A | 0.7882 | |
| 303 | L | A | 2.9714 | |
| 304 | V | A | 3.8112 | |
| 305 | I | A | 3.9784 | |
| 306 | L | A | 3.3068 | |
| 307 | T | A | 1.9569 | |
| 308 | T | A | 1.6387 | |
| 309 | L | A | 2.3375 | |
| 310 | V | A | 2.0574 | |
| 311 | P | A | 0.1502 | |
| 312 | Q | A | -1.1498 | |
| 313 | T | A | -1.5648 | |
| 314 | E | A | -2.6319 | |
| 315 | A | A | -2.0259 | |
| 316 | R | A | -2.4724 | |
| 317 | P | A | 0.0000 | |
| 318 | S | A | -1.1616 | |
| 319 | M | A | -1.1238 | |
| 320 | K | A | -1.9705 | |
| 321 | V | A | -1.1630 | |
| 322 | K | A | -2.1628 | |
| 323 | Q | A | -1.6985 | |
| 324 | L | A | -0.6982 | |
| 325 | T | A | -1.0277 | |
| 326 | Q | A | -1.9951 | |
| 327 | N | A | -1.8524 | |
| 328 | S | A | -1.5469 | |
| 329 | A | A | 0.0000 | |
| 330 | T | A | 0.0000 | |
| 331 | I | A | 0.0000 | |
| 332 | M | A | -2.0189 | |
| 333 | V | A | 0.0000 | |
| 334 | Q | A | -1.9476 | |
| 335 | L | A | 0.0000 | |
| 336 | P | A | -1.4882 | |
| 337 | S | A | -0.6926 | |
| 338 | P | A | -0.5305 | |
| 339 | F | A | -0.3947 | |
| 340 | N | A | -1.4837 | |
| 341 | R | A | -1.4584 | |
| 342 | M | A | -0.3106 | |
| 343 | Y | A | 0.0000 | |
| 344 | T | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | E | A | 0.0000 | |
| 347 | Q | A | 0.1096 | |
| 348 | Y | A | -0.7372 | |
| 349 | N | A | -2.1089 | |
| 350 | N | A | -2.3334 | |
| 351 | S | A | -1.8604 | |
| 352 | K | A | -2.2428 | |
| 353 | S | A | -0.7731 | |
| 354 | F | A | 0.5641 | |
| 355 | T | A | 0.3938 | |
| 356 | V | A | 0.3060 | |
| 357 | S | A | -0.4843 | |
| 358 | K | A | -1.6359 | |
| 359 | L | A | 0.0000 | |
| 360 | T | A | -1.1139 | |
| 361 | Q | A | -2.1711 | |
| 362 | P | A | -1.4942 | |
| 363 | Q | A | -2.3532 | |
| 364 | E | A | -2.3131 | |
| 365 | E | A | -2.9310 | |
| 366 | I | A | -1.7256 | |
| 367 | R | A | -2.3354 | |
| 368 | L | A | 0.0000 | |
| 369 | T | A | -1.4340 | |
| 370 | N | A | -1.5166 | |
| 371 | L | A | 0.0000 | |
| 372 | Y | A | 0.4956 | |
| 373 | T | A | 0.0575 | |
| 374 | L | A | 1.1875 | |
| 375 | T | A | 0.4411 | |
| 376 | N | A | -0.6301 | |
| 377 | Y | A | -0.1515 | |
| 378 | T | A | -0.3775 | |
| 379 | Y | A | 0.0000 | |
| 380 | C | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | S | A | 0.0000 | |
| 384 | T | A | -1.0163 | |
| 385 | S | A | -0.8223 | |
| 386 | S | A | -0.6258 | |
| 387 | G | A | -0.9135 | |
| 388 | T | A | -1.1346 | |
| 389 | H | A | -1.7846 | |
| 390 | H | A | -1.8029 | |
| 391 | N | A | -1.6736 | |
| 392 | H | A | -1.3673 | |
| 393 | T | A | -0.5516 | |
| 394 | C | A | 0.0226 | |
| 395 | L | A | 0.2719 | |
| 396 | T | A | -0.0524 | |
| 397 | I | A | 0.0000 | |
| 398 | C | A | 0.4936 | |
| 399 | L | A | 0.0000 | |
| 400 | P | A | -0.7384 | |
| 401 | K | A | -1.5513 | |
| 402 | P | A | -1.2682 | |
| 403 | P | A | -1.0753 | |
| 404 | S | A | -0.8616 | |
| 405 | P | A | -0.7073 | |
| 406 | P | A | -0.4776 | |
| 407 | G | A | -0.4052 | |
| 408 | P | A | 0.1900 | |
| 409 | V | A | 1.2850 | |
| 410 | P | A | 0.2608 | |
| 411 | S | A | -0.1209 | |
| 412 | P | A | -0.4460 | |
| 413 | S | A | -0.5420 | |
| 414 | T | A | -0.1418 | |
| 415 | A | A | 0.4341 | |
| 416 | T | A | 0.7459 | |
| 417 | H | A | 0.7635 | |
| 418 | Y | A | 2.5086 | |
| 419 | I | A | 3.3409 | |
| 420 | M | A | 3.0267 | |
| 421 | T | A | 2.9161 | |
| 422 | I | A | 4.3934 | |
| 423 | L | A | 4.2019 | |
| 424 | G | A | 3.1647 | |
| 425 | C | A | 3.7034 | |
| 426 | L | A | 4.6097 | |
| 427 | F | A | 4.8487 | |
| 428 | G | A | 3.8178 | |
| 429 | M | A | 4.3195 | |
| 430 | V | A | 5.0975 | |
| 431 | L | A | 4.9478 | |
| 432 | V | A | 5.1113 | |
| 433 | L | A | 4.8895 | |
| 434 | G | A | 3.7427 | |
| 435 | A | A | 3.5069 | |
| 436 | V | A | 4.0137 | |
| 437 | Y | A | 2.7911 | |
| 438 | Y | A | 1.6642 | |
| 439 | C | A | 0.4538 | |
| 440 | L | A | -0.5123 | |
| 441 | R | A | -3.1030 | |
| 442 | K | A | -4.2228 | |
| 443 | R | A | -5.2681 | |
| 444 | R | A | -6.1204 | |
| 445 | R | A | -6.6585 | |
| 446 | Q | A | -6.5773 | |
| 447 | E | A | -6.9034 | |
| 448 | E | A | -6.4428 | |
| 449 | K | A | -5.7617 | |
| 450 | H | A | -4.6352 | |
| 451 | K | A | -4.3180 | |
| 452 | K | A | -3.6605 | |
| 453 | A | A | -1.6902 | |
| 454 | V | A | -0.0642 | |
| 455 | A | A | -0.3710 | |
| 456 | A | A | -0.1939 | |
| 457 | A | A | 0.3607 | |
| 458 | A | A | 0.1253 | |
| 459 | G | A | -0.4040 | |
| 460 | S | A | -0.1605 | |
| 461 | L | A | 0.8629 | |
| 462 | K | A | -0.9571 | |
| 463 | K | A | -1.0828 | |
| 464 | T | A | 0.2199 | |
| 465 | I | A | 1.8538 | |
| 466 | I | A | 1.4230 | |
| 467 | E | A | -0.4726 | |
| 468 | L | A | 1.1559 | |
| 469 | K | A | 0.0288 | |
| 470 | Y | A | 0.7195 | |
| 471 | G | A | -0.6334 | |
| 472 | P | A | -0.6775 | |
| 473 | E | A | -1.4339 | |
| 474 | I | A | 0.2101 | |
| 475 | E | A | -1.2135 | |
| 476 | A | A | -0.6697 | |
| 477 | P | A | -0.4770 | |
| 478 | G | A | 0.1867 | |
| 479 | L | A | 1.2451 | |
| 480 | A | A | 0.8885 | |
| 481 | P | A | 0.7967 | |
| 482 | L | A | 1.1367 | |
| 483 | T | A | 0.0853 | |
| 484 | Q | A | -1.1772 | |
| 485 | G | A | -0.8823 | |
| 486 | P | A | 0.2220 | |
| 487 | L | A | 1.9867 | |
| 488 | L | A | 1.9655 | |
| 489 | G | A | 0.1411 | |
| 490 | P | A | -1.0191 | |
| 491 | E | A | -1.6320 | |
| 492 | A | A | -0.2038 | |
| 493 | V | A | 1.0047 | |
| 494 | T | A | 0.3291 | |
| 495 | R | A | -0.6066 | |
| 496 | I | A | 1.2629 | |
| 497 | P | A | 1.4203 | |
| 498 | Y | A | 2.2942 | |
| 499 | L | A | 1.9914 | |
| 500 | P | A | 0.8999 | |
| 501 | A | A | 0.2626 | |
| 502 | A | A | -0.0411 | |
| 503 | T | A | -0.4957 | |
| 504 | S | A | -0.9691 | |
| 505 | D | A | -1.4048 | |
| 506 | V | A | -0.4006 | |
| 507 | E | A | -1.6922 | |
| 508 | Q | A | -1.5098 | |
| 509 | Y | A | -0.1225 | |
| 510 | K | A | -0.0763 | |
| 511 | L | A | 1.3503 | |
| 512 | V | A | 1.0855 | |
| 513 | E | A | -0.6400 | |
| 514 | S | A | -1.2238 | |
| 515 | S | A | -1.6239 | |
| 516 | E | A | -2.0578 | |
| 517 | T | A | -1.4842 | |
| 518 | P | A | -1.4807 | |
| 519 | K | A | -1.8224 | |
| 520 | A | A | -1.2934 | |
| 521 | T | A | -1.4669 | |
| 522 | K | A | -2.1733 | |
| 523 | G | A | -1.3834 | |
| 524 | N | A | -1.1262 | |
| 525 | Y | A | 1.0864 | |
| 526 | I | A | 1.6381 | |
| 527 | E | A | -0.3525 | |
| 528 | V | A | 0.6028 | |
| 529 | R | A | -1.5640 | |
| 530 | T | A | -1.3389 | |
| 531 | G | A | -1.7156 | |
| 532 | E | A | -2.8825 | |
| 533 | P | A | -2.2568 | |
| 534 | Q | A | -3.0638 | |
| 535 | E | A | -4.1159 | |
| 536 | R | A | -4.0984 | |
| 537 | R | A | -3.2446 | |
| 538 | G | A | -1.8329 | |
| 539 | C | A | -0.4457 | |
| 540 | E | A | -0.8332 | |
| 541 | L | A | 0.2857 | |
| 542 | S | A | -0.9376 | |
| 543 | R | A | -1.8469 | |
| 544 | P | A | -1.8084 | |
| 545 | G | A | -2.0033 | |
| 546 | E | A | -2.6264 | |
| 547 | P | A | -1.6667 | |
| 548 | Q | A | -1.7343 | |
| 549 | S | A | -0.8290 | |
| 550 | S | A | -0.1200 | |
| 551 | V | A | 1.3516 | |
| 552 | A | A | 0.4289 | |
| 553 | E | A | -0.1399 | |
| 554 | I | A | 2.0177 | |
| 555 | S | A | 0.6585 | |
| 556 | T | A | 0.0375 | |
| 557 | I | A | 0.7559 | |
| 558 | A | A | -0.3650 | |
| 559 | K | A | -2.0583 | |
| 560 | E | A | -2.4993 | |
| 561 | V | A | -0.7559 | |
| 562 | D | A | -2.7215 | |
| 563 | R | A | -2.7201 | |
| 564 | V | A | -0.5673 | |
| 565 | N | A | -1.6744 | |
| 566 | Q | A | -1.6136 | |
| 567 | I | A | 1.1019 | |
| 568 | I | A | 0.7977 | |
| 569 | N | A | -0.9723 | |
| 570 | N | A | -1.0165 | |
| 571 | C | A | 0.3927 | |
| 572 | I | A | 0.3310 | |
| 573 | D | A | -2.0531 | |
| 574 | A | A | -1.0182 | |
| 575 | L | A | -0.3455 | |
| 576 | K | A | -2.1321 | |
| 577 | S | A | -1.5702 | |
| 578 | E | A | -2.0427 | |
| 579 | S | A | -1.2594 | |
| 580 | T | A | -0.9993 | |
| 581 | S | A | -0.8337 | |
| 582 | F | A | 0.6037 | |
| 583 | Q | A | -1.0425 | |
| 584 | G | A | -0.9736 | |
| 585 | A | A | -1.0413 | |
| 586 | K | A | -2.1573 | |
| 587 | S | A | -1.0775 | |
| 588 | G | A | -0.5398 | |
| 589 | A | A | 0.6620 | |
| 590 | V | A | 1.5904 | |
| 591 | S | A | 0.6882 | |
| 592 | A | A | -0.0376 | |
| 593 | A | A | -0.8861 | |
| 594 | E | A | -2.0389 | |
| 595 | P | A | -1.5438 | |
| 596 | Q | A | -0.5589 | |
| 597 | L | A | 1.9064 | |
| 598 | V | A | 3.3716 | |
| 599 | L | A | 3.4620 | |
| 600 | L | A | 2.1746 | |
| 601 | S | A | -0.0541 | |
| 602 | E | A | -1.3400 | |
| 603 | P | A | -0.4086 | |
| 604 | L | A | 1.0130 | |
| 605 | A | A | 0.2471 | |
| 606 | S | A | -0.8900 | |
| 607 | K | A | -2.3061 | |
| 608 | H | A | -1.5292 | |
| 609 | S | A | 0.1430 | |
| 610 | F | A | 2.4895 | |
| 611 | L | A | 2.4561 | |
| 612 | S | A | 1.3620 | |
| 613 | P | A | 1.2013 | |
| 614 | V | A | 1.8580 | |
| 615 | Y | A | 0.7967 | |
| 616 | K | A | -1.5032 | |
| 617 | D | A | -1.8421 | |
| 618 | A | A | -0.3424 | |
| 619 | F | A | 1.1487 | |
| 620 | G | A | -0.0939 | |
| 621 | H | A | -1.2069 | |
| 622 | G | A | -1.0609 | |
| 623 | G | A | -0.4898 | |
| 624 | L | A | 0.1669 | |
| 625 | Q | A | -1.4901 | |
| 626 | R | A | -2.7784 | |
| 627 | H | A | -2.6977 | |
| 628 | H | A | -1.7057 | |
| 629 | S | A | -0.3442 | |
| 630 | V | A | 0.6117 | |
| 631 | E | A | -0.9703 | |
| 632 | A | A | -0.5479 | |
| 633 | A | A | -0.5163 | |
| 634 | P | A | -0.4833 | |
| 635 | G | A | -0.7501 | |
| 636 | P | A | -1.0538 | |
| 637 | P | A | -1.3693 | |
| 638 | R | A | -2.0410 | |
| 639 | A | A | -1.0379 | |
| 640 | S | A | -0.6613 | |
| 641 | T | A | -0.3280 | |
| 642 | S | A | -0.4536 | |
| 643 | S | A | -0.5378 | |
| 644 | S | A | -0.6616 | |
| 645 | G | A | -0.7317 | |
| 646 | S | A | -0.8707 | |
| 647 | A | A | -1.2031 | |
| 648 | R | A | -2.0072 | |
| 649 | S | A | -1.5817 | |
| 650 | P | A | -1.6310 | |
| 651 | R | A | -1.6384 | |
| 652 | T | A | -0.5267 | |
| 653 | F | A | 0.6567 | |
| 654 | R | A | -1.3044 | |
| 655 | A | A | -1.4274 | |
| 656 | E | A | -2.1754 | |
| 657 | A | A | -0.9305 | |
| 658 | T | A | -0.6518 | |
| 659 | G | A | -0.7138 | |
| 660 | T | A | -1.1068 | |
| 661 | H | A | -1.9268 | |
| 662 | K | A | -2.2237 | |
| 663 | A | A | -1.1058 | |
| 664 | P | A | -0.6019 | |
| 665 | A | A | -0.4586 | |
| 666 | T | A | -1.0114 | |
| 667 | E | A | -2.2554 | |
| 668 | T | A | -1.5685 | |
| 669 | K | A | -1.1273 | |
| 670 | Y | A | 0.7680 | |
| 671 | I | A | 0.6280 | |
| 672 | E | A | -1.7722 | |
| 673 | K | A | -2.4020 | |
| 674 | S | A | -1.6322 | |
| 675 | S | A | -0.4273 | |
| 676 | P | A | 0.3621 | |
| 677 | V | A | 1.0186 | |
| 678 | P | A | -0.1038 | |
| 679 | E | A | -0.7585 | |
| 680 | T | A | 0.6340 | |
| 681 | I | A | 2.3388 | |
| 682 | L | A | 2.6552 | |
| 683 | T | A | 1.8710 | |
| 684 | V | A | 1.9927 | |
| 685 | T | A | 0.6860 | |
| 686 | P | A | -0.0871 | |
| 687 | A | A | 0.1109 | |
| 688 | A | A | -0.2045 | |
| 689 | T | A | -0.3846 | |
| 690 | V | A | -0.4112 | |
| 691 | L | A | 0.0000 | |
| 692 | R | A | -2.4414 | |
| 693 | A | A | -1.8687 | |
| 694 | E | A | -2.3529 | |
| 695 | A | A | 0.0000 | |
| 696 | D | A | -3.5237 | |
| 697 | K | A | -3.2884 | |
| 698 | S | A | -2.3937 | |
| 699 | R | A | -3.2555 | |
| 700 | Q | A | -3.1248 | |
| 701 | Y | A | -1.5028 | |
| 702 | G | A | -2.4828 | |
| 703 | E | A | -3.6040 | |
| 704 | H | A | -3.1119 | |
| 705 | R | A | -3.2786 | |
| 706 | H | A | -2.1497 | |
| 707 | S | A | -0.9754 | |
| 708 | Y | A | 0.3725 | |
| 709 | P | A | -0.2252 | |
| 710 | G | A | -0.6182 | |
| 711 | S | A | -0.8809 | |
| 712 | H | A | -1.5602 | |
| 713 | P | A | -1.3136 | |
| 714 | A | A | -1.3536 | |
| 715 | E | A | -2.1496 | |
| 716 | P | A | -1.2848 | |
| 717 | P | A | -0.8730 | |
| 718 | A | A | -0.5292 | |
| 719 | P | A | -0.5274 | |
| 720 | P | A | -0.6078 | |
| 721 | P | A | -0.6387 | |
| 722 | P | A | -0.6522 | |
| 723 | P | A | -0.6071 | |
| 724 | P | A | -0.6982 | |
| 725 | T | A | -1.1578 | |
| 726 | H | A | -2.2029 | |
| 727 | E | A | -2.3276 | |
| 728 | G | A | -0.9090 | |
| 729 | L | A | 0.6017 | |
| 730 | G | A | -0.3379 | |
| 731 | G | A | -1.5570 | |
| 732 | R | A | -3.0752 | |
| 733 | K | A | -2.8009 | |
| 734 | A | A | -1.0468 | |
| 735 | S | A | 0.4752 | |
| 736 | I | A | 2.2782 | |
| 737 | L | A | 1.4063 | |
| 738 | E | A | -0.3457 | |
| 739 | P | A | -0.0452 | |
| 740 | L | A | 0.6897 | |
| 741 | T | A | -0.3158 | |
| 742 | R | A | -2.1398 | |
| 743 | P | A | -2.2377 | |
| 744 | R | A | -2.9430 | |
| 745 | P | A | -2.6122 | |
| 746 | R | A | -2.9794 | |
| 747 | D | A | -1.5864 | |
| 748 | L | A | 1.6057 | |
| 749 | V | A | 2.8146 | |
| 750 | Y | A | 2.0639 | |
| 751 | S | A | 0.5215 | |
| 752 | Q | A | -0.2791 | |
| 753 | L | A | 0.7546 | |
| 754 | S | A | -0.0991 | |
| 755 | P | A | -0.4126 | |
| 756 | Q | A | -0.9727 | |
| 757 | Y | A | -0.1428 | |
| 758 | H | A | -0.7998 | |
| 759 | N | A | -0.6506 | |
| 760 | L | A | 0.7747 | |
| 761 | S | A | 0.8809 | |
| 762 | Y | A | 1.3607 | |
| 763 | S | A | 0.3078 | |
| 764 | S | A | -0.1779 | |
| 765 | S | A | -0.7683 | |
| 766 | P | A | -1.0217 | |
| 767 | E | A | -1.2348 | |
| 768 | Y | A | 0.2180 | |
| 769 | T | A | 0.1083 | |
| 770 | C | A | -0.1325 | |
| 771 | R | A | -1.4225 | |
| 772 | A | A | -0.8548 | |
| 773 | S | A | -0.5969 | |
| 774 | P | A | -0.5831 | |
| 775 | S | A | 0.3409 | |
| 776 | I | A | 1.7789 | |
| 777 | W | A | 0.9829 | |
| 778 | E | A | -0.9413 | |
| 779 | R | A | -1.1300 | |
| 780 | L | A | 0.4335 | |
| 781 | R | A | -1.3463 | |
| 782 | L | A | -0.0715 | |
| 783 | S | A | -1.0585 | |
| 784 | R | A | -3.2703 | |
| 785 | R | A | -4.0081 | |
| 786 | R | A | -4.2192 | |
| 787 | H | A | -3.9855 | |
| 788 | K | A | -4.0880 | |
| 789 | D | A | -3.2709 | |
| 790 | D | A | -2.5682 | |
| 791 | A | A | -1.7006 | |
| 792 | E | A | -1.9089 | |
| 793 | F | A | 0.2975 | |
| 794 | M | A | 0.4803 | |
| 795 | A | A | -0.3339 | |
| 796 | A | A | -0.2988 | |
| 797 | G | A | -0.6253 | |
| 798 | H | A | -1.6377 | |
| 799 | A | A | -1.2389 | |
| 800 | L | A | -1.3915 | |
| 801 | R | A | -2.4961 | |
| 802 | K | A | -2.5538 | |
| 803 | K | A | -1.9090 | |
| 804 | V | A | 0.0000 | |
| 805 | Q | A | -0.7068 | |
| 806 | F | A | 0.3480 | |
| 807 | A | A | -1.4572 | |
| 808 | K | A | -2.8041 | |
| 809 | D | A | -2.8772 | |
| 810 | E | A | -3.6361 | |
| 811 | D | A | -3.0160 | |
| 812 | L | A | 0.0000 | |
| 813 | H | A | -2.8527 | |
| 814 | D | A | -2.7739 | |
| 815 | I | A | -1.3883 | |
| 816 | L | A | 0.0000 | |
| 817 | D | A | -1.3020 | |
| 818 | Y | A | 0.1215 | |
| 819 | W | A | -0.3355 | |
| 820 | K | A | -1.6319 | |
| 821 | G | A | -0.7844 | |
| 822 | V | A | -0.6897 | |
| 823 | S | A | -1.4103 | |
| 824 | A | A | -1.6866 | |
| 825 | Q | A | -2.3633 | |
| 826 | H | A | -2.3479 | |
| 827 | K | A | -2.5977 | |
| 828 | S | A | -1.6862 |
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 | -0.2529 | 8.049 | View | CSV | PDB |
| 4.5 | -0.3123 | 8.049 | View | CSV | PDB |
| 5.0 | -0.3875 | 8.049 | View | CSV | PDB |
| 5.5 | -0.4603 | 8.049 | View | CSV | PDB |
| 6.0 | -0.5121 | 8.049 | View | CSV | PDB |
| 6.5 | -0.5328 | 8.049 | View | CSV | PDB |
| 7.0 | -0.5242 | 8.049 | View | CSV | PDB |
| 7.5 | -0.4969 | 8.049 | View | CSV | PDB |
| 8.0 | -0.4606 | 8.049 | View | CSV | PDB |
| 8.5 | -0.4191 | 8.049 | View | CSV | PDB |
| 9.0 | -0.3723 | 8.049 | 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