| Chain sequence(s) | MKRSFLCVLLAGGLLLIGGCLVPLGPSEREGGESARAAAGGLPYHIVVYFPEWGIYAGHNYYYPEHVPFEYITHLNYAFLEIKKVGTNQFQLGIIDSWASLQKAYGTWDQTERMGNIRELKYQRDLRNPNVKLLFSVGGWSRSGYFSEMAYTPEGRASFIQSCIEYLRTYGYDGIDIDWEWPGVYRAPSNSPPGDQGNPVYGTPEEDKRNFTLLLKELRAALDQAGQQDGKHYLLTVAVGAGKDKIDMTEPNVYHQYVDYIGLMTYDFHGGWENVTNHQSPLYPNPNDPSEYRDTYNIDWVVKYFSGQYSVPKEKLVVGLPYYSRGWKGVDPNTGINGLFAQAQGAADTGAWDGHTAPYYQTRAWGQGADGFIRYWDDTAKVPWLYNPSTGYMWTFEDLESITIKANYLKQNGYGGFLIWDITGDYPNVANGEKGAELTKAIYELFGGDSVPSPTPTPSTTPTPSPTPTATPSPTPTPTPTSTPTSTPSPTPTPTVTPTPTPTGTAYPVWDPSQVYVGGDRVYWNGHNWEARWWTKGEEPGTTGEWGVWKDLGPAEGATPSPTPTPTPTPTPTATPTPTSTMTPTPTASPTPTPSGGPAEWQAYTAYAVGDRVSYGGVVYRCLQAHTSLPGWEPPNAPALWQAE 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 globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:11)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ed3ab48f919fc5/tmp/folded.pdb (00:04:11)
[INFO] Main: Simulation completed successfully. (00:07:03)
|
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 | -0.3444 | |
| 2 | K | A | -2.1403 | |
| 3 | R | A | -2.1772 | |
| 4 | S | A | -0.1665 | |
| 5 | F | A | 2.3504 | |
| 6 | L | A | 3.1665 | |
| 7 | C | A | 3.0131 | |
| 8 | V | A | 3.5691 | |
| 9 | L | A | 3.4480 | |
| 10 | L | A | 2.6759 | |
| 11 | A | A | 0.8283 | |
| 12 | G | A | 0.0363 | |
| 13 | G | A | 0.4820 | |
| 14 | L | A | 2.3375 | |
| 15 | L | A | 3.3424 | |
| 16 | L | A | 3.4678 | |
| 17 | I | A | 2.7320 | |
| 18 | G | A | 1.2867 | |
| 19 | G | A | 0.7467 | |
| 20 | C | A | 1.5853 | |
| 21 | L | A | 2.7466 | |
| 22 | V | A | 2.8493 | |
| 23 | P | A | 1.6514 | |
| 24 | L | A | 1.7160 | |
| 25 | G | A | 0.0283 | |
| 26 | P | A | -0.9469 | |
| 27 | S | A | -1.8832 | |
| 28 | E | A | -3.5464 | |
| 29 | R | A | -3.9374 | |
| 30 | E | A | -3.9545 | |
| 31 | G | A | -2.9497 | |
| 32 | G | A | -2.6403 | |
| 33 | E | A | -2.9834 | |
| 34 | S | A | -1.9996 | |
| 35 | A | A | -1.7913 | |
| 36 | R | A | -2.6558 | |
| 37 | A | A | -1.3558 | |
| 38 | A | A | -0.9907 | |
| 39 | A | A | -1.1373 | |
| 40 | G | A | -1.0984 | |
| 41 | G | A | -1.2090 | |
| 42 | L | A | 0.0000 | |
| 43 | P | A | -1.3099 | |
| 44 | Y | A | -0.9188 | |
| 45 | H | A | -0.3813 | |
| 46 | I | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | Y | A | 0.0000 | |
| 50 | F | A | 0.0000 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | 0.0000 | |
| 53 | W | A | 0.7691 | |
| 54 | G | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | Y | A | 0.9967 | |
| 57 | A | A | 0.4810 | |
| 58 | G | A | -0.2595 | |
| 59 | H | A | 0.0542 | |
| 60 | N | A | 0.2071 | |
| 61 | Y | A | 1.3320 | |
| 62 | Y | A | 0.0000 | |
| 63 | Y | A | 0.2457 | |
| 64 | P | A | 0.0000 | |
| 65 | E | A | -1.4504 | |
| 66 | H | A | -0.8691 | |
| 67 | V | A | 0.0000 | |
| 68 | P | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | E | A | -0.8087 | |
| 71 | Y | A | -0.6674 | |
| 72 | I | A | 0.0000 | |
| 73 | T | A | 0.0000 | |
| 74 | H | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | N | A | 0.0000 | |
| 77 | Y | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | E | A | -0.4101 | |
| 82 | I | A | 0.0000 | |
| 83 | K | A | -1.1244 | |
| 84 | K | A | -1.4033 | |
| 85 | V | A | 0.4010 | |
| 86 | G | A | -0.2869 | |
| 87 | T | A | -0.6944 | |
| 88 | N | A | -1.3838 | |
| 89 | Q | A | -1.4693 | |
| 90 | F | A | 0.0000 | |
| 91 | Q | A | -1.2319 | |
| 92 | L | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | I | A | 0.3931 | |
| 95 | I | A | 0.5431 | |
| 96 | D | A | 0.2671 | |
| 97 | S | A | 0.2791 | |
| 98 | W | A | 0.7702 | |
| 99 | A | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | L | A | 0.0132 | |
| 102 | Q | A | -0.5411 | |
| 103 | K | A | -0.3386 | |
| 104 | A | A | -0.7514 | |
| 105 | Y | A | 0.0000 | |
| 106 | G | A | -0.5295 | |
| 107 | T | A | -0.0984 | |
| 108 | W | A | 0.2917 | |
| 109 | D | A | -1.0991 | |
| 110 | Q | A | -1.8445 | |
| 111 | T | A | -1.6475 | |
| 112 | E | A | -2.3138 | |
| 113 | R | A | -1.6525 | |
| 114 | M | A | -1.0575 | |
| 115 | G | A | 0.0000 | |
| 116 | N | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | R | A | -1.0574 | |
| 119 | E | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | K | A | -0.9885 | |
| 122 | Y | A | -0.7808 | |
| 123 | Q | A | -0.6936 | |
| 124 | R | A | 0.0000 | |
| 125 | D | A | -1.2540 | |
| 126 | L | A | 0.4058 | |
| 127 | R | A | -0.8379 | |
| 128 | N | A | -1.2129 | |
| 129 | P | A | -1.4683 | |
| 130 | N | A | -1.8673 | |
| 131 | V | A | 0.0000 | |
| 132 | K | A | -0.9209 | |
| 133 | L | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | W | A | 0.6643 | |
| 141 | S | A | -0.3131 | |
| 142 | R | A | -0.2680 | |
| 143 | S | A | 0.0000 | |
| 144 | G | A | -0.1169 | |
| 145 | Y | A | -0.2681 | |
| 146 | F | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | E | A | -0.3826 | |
| 149 | M | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | Y | A | -0.3459 | |
| 152 | T | A | -0.7353 | |
| 153 | P | A | -1.0968 | |
| 154 | E | A | -2.1490 | |
| 155 | G | A | 0.0000 | |
| 156 | R | A | 0.0000 | |
| 157 | A | A | -1.2627 | |
| 158 | S | A | -1.2421 | |
| 159 | F | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | Q | A | -1.5308 | |
| 162 | S | A | 0.0000 | |
| 163 | C | A | 0.0000 | |
| 164 | I | A | 0.0000 | |
| 165 | E | A | -2.3196 | |
| 166 | Y | A | -1.2057 | |
| 167 | L | A | 0.0000 | |
| 168 | R | A | -1.8296 | |
| 169 | T | A | -1.0096 | |
| 170 | Y | A | -0.7278 | |
| 171 | G | A | -0.8772 | |
| 172 | Y | A | 0.0000 | |
| 173 | D | A | -0.7357 | |
| 174 | G | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | D | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | D | A | 0.0000 | |
| 179 | W | A | 0.0000 | |
| 180 | E | A | 0.0000 | |
| 181 | W | A | 0.4734 | |
| 182 | P | A | 0.0000 | |
| 183 | G | A | -0.4520 | |
| 184 | V | A | 0.5796 | |
| 185 | Y | A | 1.5095 | |
| 186 | R | A | 0.4921 | |
| 187 | A | A | -0.0101 | |
| 188 | P | A | -0.8271 | |
| 189 | S | A | -1.2087 | |
| 190 | N | A | -1.8025 | |
| 191 | S | A | -1.1778 | |
| 192 | P | A | -1.1487 | |
| 193 | P | A | -1.2163 | |
| 194 | G | A | -1.1497 | |
| 195 | D | A | 0.0000 | |
| 196 | Q | A | -0.8462 | |
| 197 | G | A | 0.0000 | |
| 198 | N | A | 0.0000 | |
| 199 | P | A | 0.5290 | |
| 200 | V | A | 0.5813 | |
| 201 | Y | A | 0.6491 | |
| 202 | G | A | -0.5036 | |
| 203 | T | A | -0.9016 | |
| 204 | P | A | -1.2043 | |
| 205 | E | A | -2.8623 | |
| 206 | E | A | -2.4274 | |
| 207 | D | A | 0.0000 | |
| 208 | K | A | -2.2574 | |
| 209 | R | A | -2.5694 | |
| 210 | N | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | T | A | 0.0000 | |
| 213 | L | A | -0.4839 | |
| 214 | L | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | K | A | -1.2086 | |
| 217 | E | A | -1.0387 | |
| 218 | L | A | 0.0000 | |
| 219 | R | A | 0.0000 | |
| 220 | A | A | -1.1131 | |
| 221 | A | A | -1.3654 | |
| 222 | L | A | 0.0000 | |
| 223 | D | A | -2.8115 | |
| 224 | Q | A | -2.8327 | |
| 225 | A | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | Q | A | -3.3081 | |
| 228 | Q | A | -2.9429 | |
| 229 | D | A | -2.9159 | |
| 230 | G | A | -2.4209 | |
| 231 | K | A | -2.3901 | |
| 232 | H | A | -2.1584 | |
| 233 | Y | A | 0.0000 | |
| 234 | L | A | -0.5524 | |
| 235 | L | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | G | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | G | A | -0.9396 | |
| 243 | K | A | -1.4721 | |
| 244 | D | A | -1.8619 | |
| 245 | K | A | -1.2895 | |
| 246 | I | A | 0.0000 | |
| 247 | D | A | -1.3513 | |
| 248 | M | A | -1.4448 | |
| 249 | T | A | 0.0000 | |
| 250 | E | A | -0.9129 | |
| 251 | P | A | 0.0000 | |
| 252 | N | A | -1.3967 | |
| 253 | V | A | -0.6549 | |
| 254 | Y | A | 0.0000 | |
| 255 | H | A | -1.1083 | |
| 256 | Q | A | -1.5231 | |
| 257 | Y | A | -0.8020 | |
| 258 | V | A | 0.0000 | |
| 259 | D | A | -0.8980 | |
| 260 | Y | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | M | A | 0.0158 | |
| 265 | T | A | 0.0000 | |
| 266 | Y | A | 0.0000 | |
| 267 | D | A | -0.6708 | |
| 268 | F | A | 0.0000 | |
| 269 | H | A | 0.0000 | |
| 270 | G | A | 0.0000 | |
| 271 | G | A | -0.5742 | |
| 272 | W | A | 0.6448 | |
| 273 | E | A | -0.6679 | |
| 274 | N | A | -1.6759 | |
| 275 | V | A | -0.7823 | |
| 276 | T | A | 0.0000 | |
| 277 | N | A | 0.0000 | |
| 278 | H | A | 0.0000 | |
| 279 | Q | A | 0.0000 | |
| 280 | S | A | 0.0000 | |
| 281 | P | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | Y | A | -0.2828 | |
| 284 | P | A | -0.8524 | |
| 285 | N | A | 0.0000 | |
| 286 | P | A | -1.3408 | |
| 287 | N | A | -1.5315 | |
| 288 | D | A | -1.5978 | |
| 289 | P | A | -1.1775 | |
| 290 | S | A | -1.4533 | |
| 291 | E | A | -2.1378 | |
| 292 | Y | A | -1.3041 | |
| 293 | R | A | -2.0929 | |
| 294 | D | A | -2.0614 | |
| 295 | T | A | -1.0400 | |
| 296 | Y | A | -0.6612 | |
| 297 | N | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | D | A | -0.5737 | |
| 300 | W | A | -0.7761 | |
| 301 | V | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | K | A | -2.1159 | |
| 304 | Y | A | -1.3165 | |
| 305 | F | A | 0.0000 | |
| 306 | S | A | -1.7932 | |
| 307 | G | A | -1.6701 | |
| 308 | Q | A | -1.8592 | |
| 309 | Y | A | -1.3617 | |
| 310 | S | A | -1.2396 | |
| 311 | V | A | 0.0000 | |
| 312 | P | A | -1.5921 | |
| 313 | K | A | -2.3884 | |
| 314 | E | A | -2.9053 | |
| 315 | K | A | -1.7989 | |
| 316 | L | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | P | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | Y | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | R | A | -0.5287 | |
| 326 | G | A | 0.0000 | |
| 327 | W | A | 0.0000 | |
| 328 | K | A | -1.6167 | |
| 329 | G | A | -1.2988 | |
| 330 | V | A | 0.0000 | |
| 331 | D | A | -1.9292 | |
| 332 | P | A | -1.4729 | |
| 333 | N | A | -1.7569 | |
| 334 | T | A | -1.1020 | |
| 335 | G | A | -0.6514 | |
| 336 | I | A | 0.5582 | |
| 337 | N | A | -0.5686 | |
| 338 | G | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | F | A | -0.3048 | |
| 341 | A | A | 0.0000 | |
| 342 | Q | A | -1.9977 | |
| 343 | A | A | 0.0000 | |
| 344 | Q | A | -2.0675 | |
| 345 | G | A | -1.3084 | |
| 346 | A | A | -1.0783 | |
| 347 | A | A | 0.0000 | |
| 348 | D | A | -2.0659 | |
| 349 | T | A | -1.1946 | |
| 350 | G | A | 0.0000 | |
| 351 | A | A | -0.8129 | |
| 352 | W | A | -1.0345 | |
| 353 | D | A | -2.3032 | |
| 354 | G | A | -1.8423 | |
| 355 | H | A | -1.9777 | |
| 356 | T | A | 0.0000 | |
| 357 | A | A | 0.0000 | |
| 358 | P | A | 0.0000 | |
| 359 | Y | A | 0.0000 | |
| 360 | Y | A | 0.3208 | |
| 361 | Q | A | 0.0292 | |
| 362 | T | A | 0.0000 | |
| 363 | R | A | -0.7574 | |
| 364 | A | A | -0.7019 | |
| 365 | W | A | 0.0000 | |
| 366 | G | A | -1.1614 | |
| 367 | Q | A | -1.7518 | |
| 368 | G | A | -1.5024 | |
| 369 | A | A | -1.4746 | |
| 370 | D | A | -2.1292 | |
| 371 | G | A | -1.4757 | |
| 372 | F | A | 0.0000 | |
| 373 | I | A | 0.0465 | |
| 374 | R | A | -0.5009 | |
| 375 | Y | A | 0.0788 | |
| 376 | W | A | -0.4851 | |
| 377 | D | A | 0.0000 | |
| 378 | D | A | -1.7781 | |
| 379 | T | A | -1.0702 | |
| 380 | A | A | 0.0000 | |
| 381 | K | A | -0.8981 | |
| 382 | V | A | 0.0000 | |
| 383 | P | A | 0.0000 | |
| 384 | W | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | N | A | 0.0000 | |
| 388 | P | A | -0.4886 | |
| 389 | S | A | -0.4042 | |
| 390 | T | A | -0.5412 | |
| 391 | G | A | 0.0000 | |
| 392 | Y | A | -0.3935 | |
| 393 | M | A | 0.0000 | |
| 394 | W | A | 0.0000 | |
| 395 | T | A | 0.0000 | |
| 396 | F | A | 0.0000 | |
| 397 | E | A | 0.0000 | |
| 398 | D | A | -0.3179 | |
| 399 | L | A | -0.0046 | |
| 400 | E | A | -0.7861 | |
| 401 | S | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | T | A | -0.1689 | |
| 404 | I | A | 0.0027 | |
| 405 | K | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | N | A | -1.4573 | |
| 408 | Y | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | K | A | -2.2023 | |
| 411 | Q | A | -2.1850 | |
| 412 | N | A | -1.9349 | |
| 413 | G | A | -1.9995 | |
| 414 | Y | A | 0.0000 | |
| 415 | G | A | 0.0000 | |
| 416 | G | A | 0.0000 | |
| 417 | F | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | I | A | 0.0000 | |
| 420 | W | A | 0.2133 | |
| 421 | D | A | 0.0000 | |
| 422 | I | A | 0.0000 | |
| 423 | T | A | 0.0000 | |
| 424 | G | A | 0.0000 | |
| 425 | D | A | 0.0000 | |
| 426 | Y | A | 0.0000 | |
| 427 | P | A | -0.4667 | |
| 428 | N | A | -0.8165 | |
| 429 | V | A | 0.5910 | |
| 430 | A | A | -0.4242 | |
| 431 | N | A | -1.8694 | |
| 432 | G | A | -1.9549 | |
| 433 | E | A | -3.0666 | |
| 434 | K | A | -2.8589 | |
| 435 | G | A | 0.0000 | |
| 436 | A | A | -1.0235 | |
| 437 | E | A | -0.8530 | |
| 438 | L | A | 0.0000 | |
| 439 | T | A | 0.0000 | |
| 440 | K | A | -1.0680 | |
| 441 | A | A | -0.5971 | |
| 442 | I | A | 0.0000 | |
| 443 | Y | A | 0.0000 | |
| 444 | E | A | -1.6760 | |
| 445 | L | A | -0.8834 | |
| 446 | F | A | 0.0000 | |
| 447 | G | A | -1.3033 | |
| 448 | G | A | -1.7226 | |
| 449 | D | A | -2.1151 | |
| 450 | S | A | -1.3721 | |
| 451 | V | A | -0.5615 | |
| 452 | P | A | -0.4509 | |
| 453 | S | A | -0.6091 | |
| 454 | P | A | -0.4585 | |
| 455 | T | A | -0.4685 | |
| 456 | P | A | -0.5194 | |
| 457 | T | A | -0.4360 | |
| 458 | P | A | -0.4976 | |
| 459 | S | A | -0.4766 | |
| 460 | T | A | -0.3531 | |
| 461 | T | A | -0.3624 | |
| 462 | P | A | -0.4523 | |
| 463 | T | A | -0.3884 | |
| 464 | P | A | -0.5249 | |
| 465 | S | A | -0.5184 | |
| 466 | P | A | -0.5052 | |
| 467 | T | A | -0.3986 | |
| 468 | P | A | -0.3672 | |
| 469 | T | A | -0.1956 | |
| 470 | A | A | -0.1279 | |
| 471 | T | A | -0.2260 | |
| 472 | P | A | -0.4333 | |
| 473 | S | A | -0.4875 | |
| 474 | P | A | -0.4983 | |
| 475 | T | A | -0.3742 | |
| 476 | P | A | -0.4319 | |
| 477 | T | A | -0.3533 | |
| 478 | P | A | -0.4373 | |
| 479 | T | A | -0.3484 | |
| 480 | P | A | -0.4210 | |
| 481 | T | A | -0.3268 | |
| 482 | S | A | -0.3869 | |
| 483 | T | A | -0.3408 | |
| 484 | P | A | -0.4160 | |
| 485 | T | A | -0.3249 | |
| 486 | S | A | -0.3837 | |
| 487 | T | A | -0.3494 | |
| 488 | P | A | -0.4983 | |
| 489 | S | A | -0.4980 | |
| 490 | P | A | -0.5121 | |
| 491 | T | A | -0.4415 | |
| 492 | P | A | -0.4427 | |
| 493 | T | A | -0.1560 | |
| 494 | P | A | 0.0841 | |
| 495 | T | A | 0.5654 | |
| 496 | V | A | 1.5561 | |
| 497 | T | A | 0.5555 | |
| 498 | P | A | 0.0259 | |
| 499 | T | A | -0.1419 | |
| 500 | P | A | -0.4485 | |
| 501 | T | A | -0.3228 | |
| 502 | P | A | -0.3611 | |
| 503 | T | A | -0.4283 | |
| 504 | G | A | -0.8473 | |
| 505 | T | A | -0.4948 | |
| 506 | A | A | -0.2806 | |
| 507 | Y | A | -0.0255 | |
| 508 | P | A | -0.2078 | |
| 509 | V | A | 0.1296 | |
| 510 | W | A | 0.0000 | |
| 511 | D | A | -1.9506 | |
| 512 | P | A | -2.1519 | |
| 513 | S | A | -1.6753 | |
| 514 | Q | A | -1.8840 | |
| 515 | V | A | -0.4475 | |
| 516 | Y | A | 0.0000 | |
| 517 | V | A | 1.4759 | |
| 518 | G | A | 0.2452 | |
| 519 | G | A | -0.8494 | |
| 520 | D | A | -0.9028 | |
| 521 | R | A | -1.4456 | |
| 522 | V | A | 0.0000 | |
| 523 | Y | A | -0.2533 | |
| 524 | W | A | -0.8590 | |
| 525 | N | A | -1.3941 | |
| 526 | G | A | -1.2187 | |
| 527 | H | A | -1.1649 | |
| 528 | N | A | -0.9279 | |
| 529 | W | A | -1.1970 | |
| 530 | E | A | -1.2196 | |
| 531 | A | A | 0.0000 | |
| 532 | R | A | -0.2320 | |
| 533 | W | A | 1.4360 | |
| 534 | W | A | 1.7873 | |
| 535 | T | A | 0.0000 | |
| 536 | K | A | -2.2622 | |
| 537 | G | A | -2.6572 | |
| 538 | E | A | -3.1987 | |
| 539 | E | A | -2.5612 | |
| 540 | P | A | 0.0000 | |
| 541 | G | A | -1.7900 | |
| 542 | T | A | -1.0793 | |
| 543 | T | A | -1.0043 | |
| 544 | G | A | -1.4384 | |
| 545 | E | A | -1.9594 | |
| 546 | W | A | -0.0920 | |
| 547 | G | A | 0.0000 | |
| 548 | V | A | 0.0000 | |
| 549 | W | A | 0.0000 | |
| 550 | K | A | -1.8862 | |
| 551 | D | A | -1.9535 | |
| 552 | L | A | -0.3526 | |
| 553 | G | A | -0.7186 | |
| 554 | P | A | -1.1676 | |
| 555 | A | A | -1.2839 | |
| 556 | E | A | -2.2408 | |
| 557 | G | A | -1.4945 | |
| 558 | A | A | -0.9629 | |
| 559 | T | A | -0.5922 | |
| 560 | P | A | -0.5218 | |
| 561 | S | A | -0.5323 | |
| 562 | P | A | -0.5400 | |
| 563 | T | A | -0.4534 | |
| 564 | P | A | -0.4943 | |
| 565 | T | A | -0.4164 | |
| 566 | P | A | -0.4740 | |
| 567 | T | A | -0.4198 | |
| 568 | P | A | -0.4700 | |
| 569 | T | A | -0.4182 | |
| 570 | P | A | -0.4696 | |
| 571 | T | A | -0.3772 | |
| 572 | P | A | -0.3905 | |
| 573 | T | A | -0.2600 | |
| 574 | A | A | -0.1579 | |
| 575 | T | A | -0.2582 | |
| 576 | P | A | -0.3854 | |
| 577 | T | A | -0.3723 | |
| 578 | P | A | -0.4521 | |
| 579 | T | A | -0.2489 | |
| 580 | S | A | -0.1044 | |
| 581 | T | A | 0.2712 | |
| 582 | M | A | 0.8660 | |
| 583 | T | A | 0.2291 | |
| 584 | P | A | -0.1470 | |
| 585 | T | A | -0.3403 | |
| 586 | P | A | -0.4025 | |
| 587 | T | A | -0.2567 | |
| 588 | A | A | -0.2017 | |
| 589 | S | A | -0.4099 | |
| 590 | P | A | -0.4556 | |
| 591 | T | A | -0.4043 | |
| 592 | P | A | -0.4943 | |
| 593 | T | A | -0.4617 | |
| 594 | P | A | -0.6942 | |
| 595 | S | A | -0.7410 | |
| 596 | G | A | -0.8844 | |
| 597 | G | A | -1.2325 | |
| 598 | P | A | -1.4673 | |
| 599 | A | A | -1.5094 | |
| 600 | E | A | -2.2347 | |
| 601 | W | A | 0.0000 | |
| 602 | Q | A | -1.1460 | |
| 603 | A | A | 0.2761 | |
| 604 | Y | A | 1.3078 | |
| 605 | T | A | 0.4200 | |
| 606 | A | A | 0.1837 | |
| 607 | Y | A | 0.0000 | |
| 608 | A | A | 0.0908 | |
| 609 | V | A | 0.8020 | |
| 610 | G | A | -0.6491 | |
| 611 | D | A | -1.5421 | |
| 612 | R | A | -2.8107 | |
| 613 | V | A | 0.0000 | |
| 614 | S | A | -0.9572 | |
| 615 | Y | A | -0.2194 | |
| 616 | G | A | -0.4031 | |
| 617 | G | A | -0.2278 | |
| 618 | V | A | 0.3607 | |
| 619 | V | A | -0.7142 | |
| 620 | Y | A | 0.0000 | |
| 621 | R | A | -2.0209 | |
| 622 | C | A | 0.0000 | |
| 623 | L | A | -0.2569 | |
| 624 | Q | A | -0.5154 | |
| 625 | A | A | 0.0692 | |
| 626 | H | A | 0.2118 | |
| 627 | T | A | 0.3366 | |
| 628 | S | A | 0.0000 | |
| 629 | L | A | 1.0076 | |
| 630 | P | A | 0.1388 | |
| 631 | G | A | -0.4926 | |
| 632 | W | A | -0.0252 | |
| 633 | E | A | -0.6738 | |
| 634 | P | A | 0.0000 | |
| 635 | P | A | -0.9231 | |
| 636 | N | A | -1.4607 | |
| 637 | A | A | 0.0000 | |
| 638 | P | A | -0.6655 | |
| 639 | A | A | -0.3742 | |
| 640 | L | A | -0.2947 | |
| 641 | W | A | 0.0000 | |
| 642 | Q | A | -1.6099 | |
| 643 | A | A | -1.2887 | |
| 644 | E | A | -2.0617 |
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 | 0.2329 | 4.8443 | View | CSV | PDB |
| 4.5 | 0.1868 | 4.8443 | View | CSV | PDB |
| 5.0 | 0.131 | 4.8443 | View | CSV | PDB |
| 5.5 | 0.0739 | 4.8443 | View | CSV | PDB |
| 6.0 | 0.0245 | 4.8443 | View | CSV | PDB |
| 6.5 | -0.0101 | 4.8443 | View | CSV | PDB |
| 7.0 | -0.0285 | 4.8443 | View | CSV | PDB |
| 7.5 | -0.0353 | 4.8969 | View | CSV | PDB |
| 8.0 | -0.0351 | 4.9685 | View | CSV | PDB |
| 8.5 | -0.0291 | 5.0426 | View | CSV | PDB |
| 9.0 | -0.0169 | 5.1193 | 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