| Chain sequence(s) |
A: MIRIKKKLILTIIYIHLFILNRLSFENAIKKTKNQENNLTLLPIKSTEEEKDDIKNGKDIKKEIDNDKENIKTNNAKDHSTYIKSYLNTNVNDGLKYLFIPSHNSFIKKYSVFNQINDGMLLNEKNDVKNNEDYKNVDYKNVNFLQYHFKELSNYNIANSIDILQEKEGHLDFVIIPHYTFLDYYKHLSYNSIYHKSSTYGKCIAVDAFIKKINETYDKVKSKCNDIKNDLIATIKKLEHPYDINNKNDDSYRYDISEEIDDKSEETDDETEEVEDSIQDTDSNHTPSNKKKNDLMNRTFKKMMDEYNTKKKKLIKCIKNHENDFNKICMDMKNYGTNLFEQLSCYNNNFCNTNGIRYHYDEYIHKLILSVKSKNLNKDLSDMTNILQQSELLLTNLNKKMGSYIYIDTIKFIHKEMKHIFNRIEYHTKIINDKTKIIQDKIKLNIWRTFQKDELLKRILDMSNEYSLFITSDHLRQMLYNTFYSKEKHLNNIFHHLIYVLQMKFNDVPIKMEYFQTYKKNKPLTQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: MIRIKKKLILTIIYIHLFILNRLSFENAIKKTKNQENNLTLLPIKSTEEEKDDIKNGKDIKKEIDNDKENIKTNNAKDHSTYIKSYLNTNVNDGLKYLFIPSHNSFIKKYSVFNQINDGMLLNEKNDVKNNEDYKNVDYKNVNFLQYHFKELSNYNIANSIDILQEKEGHLDFVIIPHYTFLDYYKHLSYNSIYHKSSTYGKCIAVDAFIKKINETYDKVKSKCNDIKNDLIATIKKLEHPYDINNKNDDSYRYDISEEI DDKSEETDDETEEVEDSIQDTDSNHTPSNKKKN DLMNRTFKKMMDEYNTKKKKLIKCIKNHENDFNKICMDMKNYGTNLFEQLSCYNNNFCNTNGIRYHYDEYIHKLILSVKSKNLNKDLSDMTNILQQSELLLTNLNKKMGSYIYIDTIKFIHKEMKHIFNRIEYHTKIINDKTKIIQDKIKLNIWRTFQKDELLKRILDMSNEYSLFITSDHLRQMLYNTFYSKEKHLNNIFHHLIYVLQMKFNDVPIKMEYFQTYKKNKPLTQ(Red indicates removed residues) |
| 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: Running AlphaCutter (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:15)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f4b12bd239ae3ce/tmp/folded.pdb (00:22:04)
[INFO] Main: Simulation completed successfully. (00:31:43)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.5845 | |
| 2 | I | A | 1.1956 | |
| 3 | R | A | -0.8545 | |
| 4 | I | A | 0.7722 | |
| 5 | K | A | -0.5634 | |
| 6 | K | A | -1.6116 | |
| 7 | K | A | -1.1760 | |
| 8 | L | A | 0.8341 | |
| 9 | I | A | 1.6581 | |
| 10 | L | A | 1.5635 | |
| 11 | T | A | 2.1529 | |
| 12 | I | A | 3.6218 | |
| 13 | I | A | 3.8333 | |
| 14 | Y | A | 4.2797 | |
| 15 | I | A | 3.8758 | |
| 16 | H | A | 2.5559 | |
| 17 | L | A | 3.5076 | |
| 18 | F | A | 3.6866 | |
| 19 | I | A | 2.8982 | |
| 20 | L | A | 2.4709 | |
| 21 | N | A | 0.4337 | |
| 22 | R | A | -0.0731 | |
| 23 | L | A | 1.0425 | |
| 24 | S | A | -0.0592 | |
| 25 | F | A | -0.5440 | |
| 26 | E | A | -1.9345 | |
| 27 | N | A | -2.2835 | |
| 28 | A | A | -1.7283 | |
| 29 | I | A | -2.0282 | |
| 30 | K | A | -3.9498 | |
| 31 | K | A | -4.0845 | |
| 32 | T | A | -4.0001 | |
| 33 | K | A | -4.7374 | |
| 34 | N | A | -4.7051 | |
| 35 | Q | A | -4.3586 | |
| 36 | E | A | -4.2671 | |
| 37 | N | A | -3.4747 | |
| 38 | N | A | -2.7655 | |
| 39 | L | A | -0.6967 | |
| 40 | T | A | 0.4615 | |
| 41 | L | A | 2.1924 | |
| 42 | L | A | 2.5726 | |
| 43 | P | A | 1.3708 | |
| 44 | I | A | 1.6014 | |
| 45 | K | A | -1.5380 | |
| 46 | S | A | -1.8222 | |
| 47 | T | A | -2.3922 | |
| 48 | E | A | -3.9039 | |
| 49 | E | A | -4.9336 | |
| 50 | E | A | -4.8663 | |
| 51 | K | A | -4.5283 | |
| 52 | D | A | -4.0915 | |
| 53 | D | A | -3.5194 | |
| 54 | I | A | -1.2035 | |
| 55 | K | A | -2.7862 | |
| 56 | N | A | -2.7982 | |
| 57 | G | A | -2.1013 | |
| 58 | K | A | -3.2424 | |
| 59 | D | A | -3.1870 | |
| 60 | I | A | -0.7064 | |
| 61 | K | A | -2.6590 | |
| 62 | K | A | -3.7778 | |
| 63 | E | A | -3.4207 | |
| 64 | I | A | -1.5274 | |
| 65 | D | A | -4.1483 | |
| 66 | N | A | -4.5888 | |
| 67 | D | A | -4.2897 | |
| 68 | K | A | -4.2501 | |
| 69 | E | A | -4.2507 | |
| 70 | N | A | -3.1326 | |
| 71 | I | A | -0.9923 | |
| 72 | K | A | -2.1956 | |
| 73 | T | A | -1.5360 | |
| 74 | N | A | -2.2916 | |
| 75 | N | A | -2.6860 | |
| 76 | A | A | -2.2788 | |
| 77 | K | A | -3.0942 | |
| 78 | D | A | -2.5855 | |
| 79 | H | A | -1.8338 | |
| 80 | S | A | -1.1960 | |
| 81 | T | A | -0.7725 | |
| 82 | Y | A | 0.4698 | |
| 83 | I | A | -0.1509 | |
| 84 | K | A | -1.3899 | |
| 85 | S | A | -0.7857 | |
| 86 | Y | A | -0.3221 | |
| 87 | L | A | -0.7951 | |
| 88 | N | A | -1.7488 | |
| 89 | T | A | -1.3580 | |
| 90 | N | A | -1.7502 | |
| 91 | V | A | -1.4939 | |
| 92 | N | A | -2.4772 | |
| 93 | D | A | -2.5829 | |
| 94 | G | A | -1.1961 | |
| 95 | L | A | -0.2609 | |
| 96 | K | A | -0.5706 | |
| 97 | Y | A | 0.7428 | |
| 98 | L | A | 0.7502 | |
| 99 | F | A | 1.4811 | |
| 100 | I | A | 1.9321 | |
| 101 | P | A | 0.1004 | |
| 102 | S | A | -0.2197 | |
| 103 | H | A | -1.1659 | |
| 104 | N | A | -1.6080 | |
| 105 | S | A | -0.9128 | |
| 106 | F | A | 0.2802 | |
| 107 | I | A | 0.6885 | |
| 108 | K | A | -0.8287 | |
| 109 | K | A | -0.0941 | |
| 110 | Y | A | 0.9352 | |
| 111 | S | A | 0.6991 | |
| 112 | V | A | 1.3392 | |
| 113 | F | A | 0.6869 | |
| 114 | N | A | -1.0316 | |
| 115 | Q | A | -1.0770 | |
| 116 | I | A | 0.4793 | |
| 117 | N | A | -1.2033 | |
| 118 | D | A | -1.6296 | |
| 119 | G | A | -0.2750 | |
| 120 | M | A | 0.9512 | |
| 121 | L | A | 1.2258 | |
| 122 | L | A | 0.8306 | |
| 123 | N | A | -1.4382 | |
| 124 | E | A | -3.0596 | |
| 125 | K | A | -3.2350 | |
| 126 | N | A | -3.4491 | |
| 127 | D | A | -2.8347 | |
| 128 | V | A | -0.9657 | |
| 129 | K | A | -2.3126 | |
| 130 | N | A | -3.1846 | |
| 131 | N | A | -3.3348 | |
| 132 | E | A | -3.6042 | |
| 133 | D | A | -3.0893 | |
| 134 | Y | A | -0.7591 | |
| 135 | K | A | -2.1032 | |
| 136 | N | A | -1.3543 | |
| 137 | V | A | 0.4264 | |
| 138 | D | A | -1.4885 | |
| 139 | Y | A | -0.6236 | |
| 140 | K | A | -1.9943 | |
| 141 | N | A | -1.9870 | |
| 142 | V | A | -0.9695 | |
| 143 | N | A | -1.3762 | |
| 144 | F | A | -0.4924 | |
| 145 | L | A | 0.6662 | |
| 146 | Q | A | -0.8015 | |
| 147 | Y | A | 0.0000 | |
| 148 | H | A | -1.3923 | |
| 149 | F | A | -0.9376 | |
| 150 | K | A | -1.4615 | |
| 151 | E | A | -2.1419 | |
| 152 | L | A | -0.9062 | |
| 153 | S | A | -0.8759 | |
| 154 | N | A | -1.1243 | |
| 155 | Y | A | 0.0074 | |
| 156 | N | A | -1.0351 | |
| 157 | I | A | 0.0000 | |
| 158 | A | A | -1.3217 | |
| 159 | N | A | -1.2333 | |
| 160 | S | A | -0.4474 | |
| 161 | I | A | 0.0000 | |
| 162 | D | A | 0.0000 | |
| 163 | I | A | 0.0182 | |
| 164 | L | A | 0.0000 | |
| 165 | Q | A | -1.8720 | |
| 166 | E | A | -2.3695 | |
| 167 | K | A | -3.3735 | |
| 168 | E | A | -3.4362 | |
| 169 | G | A | -2.5701 | |
| 170 | H | A | -2.8175 | |
| 171 | L | A | 0.0000 | |
| 172 | D | A | -1.4124 | |
| 173 | F | A | 0.0000 | |
| 174 | V | A | 0.2347 | |
| 175 | I | A | 0.0000 | |
| 176 | I | A | 0.3483 | |
| 177 | P | A | 0.1204 | |
| 178 | H | A | 0.0000 | |
| 179 | Y | A | 0.4526 | |
| 180 | T | A | 0.0000 | |
| 181 | F | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | 0.0000 | |
| 184 | Y | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | K | A | -0.4961 | |
| 187 | H | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | Y | A | 0.0000 | |
| 191 | N | A | 0.0000 | |
| 192 | S | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | Y | A | 0.0000 | |
| 195 | H | A | -0.8248 | |
| 196 | K | A | -0.8997 | |
| 197 | S | A | -0.7200 | |
| 198 | S | A | -1.2574 | |
| 199 | T | A | -0.7746 | |
| 200 | Y | A | -0.3192 | |
| 201 | G | A | -0.4536 | |
| 202 | K | A | -0.7511 | |
| 203 | C | A | 0.2565 | |
| 204 | I | A | 1.3927 | |
| 205 | A | A | 0.2321 | |
| 206 | V | A | 0.0000 | |
| 207 | D | A | -0.9684 | |
| 208 | A | A | -0.9158 | |
| 209 | F | A | -1.0759 | |
| 210 | I | A | 0.0000 | |
| 211 | K | A | -3.4628 | |
| 212 | K | A | -3.6239 | |
| 213 | I | A | 0.0000 | |
| 214 | N | A | -3.7158 | |
| 215 | E | A | -4.2909 | |
| 216 | T | A | -3.1230 | |
| 217 | Y | A | -3.0053 | |
| 218 | D | A | -3.9265 | |
| 219 | K | A | -3.6481 | |
| 220 | V | A | 0.0000 | |
| 221 | K | A | -2.4333 | |
| 222 | S | A | -2.6021 | |
| 223 | K | A | -2.8386 | |
| 224 | C | A | 0.0000 | |
| 225 | N | A | -2.6243 | |
| 226 | D | A | -3.0099 | |
| 227 | I | A | -2.2599 | |
| 228 | K | A | -2.5468 | |
| 229 | N | A | -2.7947 | |
| 230 | D | A | -2.3704 | |
| 231 | L | A | 0.0000 | |
| 232 | I | A | -1.9597 | |
| 233 | A | A | -1.2410 | |
| 234 | T | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | K | A | -2.0256 | |
| 237 | K | A | -1.5392 | |
| 238 | L | A | 0.0000 | |
| 239 | E | A | 0.0000 | |
| 240 | H | A | -1.3502 | |
| 241 | P | A | 0.0000 | |
| 242 | Y | A | -1.1064 | |
| 243 | D | A | -2.4018 | |
| 244 | I | A | -2.8197 | |
| 245 | N | A | -3.2839 | |
| 246 | N | A | -4.1000 | |
| 247 | K | A | -3.9982 | |
| 248 | N | A | -3.7200 | |
| 249 | D | A | -4.0595 | |
| 250 | D | A | -3.1612 | |
| 251 | S | A | -1.7743 | |
| 252 | Y | A | -0.8953 | |
| 253 | R | A | -1.4174 | |
| 254 | Y | A | 0.0000 | |
| 255 | D | A | -2.0207 | |
| 256 | I | A | -1.3456 | |
| 257 | S | A | -1.5022 | |
| 258 | E | A | -2.4208 | |
| 259 | E | A | -1.1648 | |
| 260 | I | A | 1.2250 | |
| 294 | D | A | -0.9605 | |
| 295 | L | A | 0.9214 | |
| 296 | M | A | 0.3451 | |
| 297 | N | A | 0.0000 | |
| 298 | R | A | -1.8309 | |
| 299 | T | A | -1.6212 | |
| 300 | F | A | 0.0000 | |
| 301 | K | A | -2.5762 | |
| 302 | K | A | -3.2216 | |
| 303 | M | A | -2.3027 | |
| 304 | M | A | -2.2060 | |
| 305 | D | A | -2.9452 | |
| 306 | E | A | -2.9595 | |
| 307 | Y | A | 0.0000 | |
| 308 | N | A | -2.3188 | |
| 309 | T | A | -2.3639 | |
| 310 | K | A | -2.7797 | |
| 311 | K | A | -2.7934 | |
| 312 | K | A | -3.4273 | |
| 313 | K | A | -3.2963 | |
| 314 | L | A | 0.0000 | |
| 315 | I | A | -2.1797 | |
| 316 | K | A | -3.3366 | |
| 317 | C | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | K | A | -2.7330 | |
| 320 | N | A | -2.7024 | |
| 321 | H | A | -2.5826 | |
| 322 | E | A | -2.8691 | |
| 323 | N | A | -2.9353 | |
| 324 | D | A | -2.6752 | |
| 325 | F | A | 0.0000 | |
| 326 | N | A | -2.0236 | |
| 327 | K | A | -2.8205 | |
| 328 | I | A | 0.0000 | |
| 329 | C | A | 0.0000 | |
| 330 | M | A | -1.7606 | |
| 331 | D | A | -2.5768 | |
| 332 | M | A | 0.0000 | |
| 333 | K | A | -2.0492 | |
| 334 | N | A | -2.2389 | |
| 335 | Y | A | -1.3785 | |
| 336 | G | A | 0.0000 | |
| 337 | T | A | -1.6641 | |
| 338 | N | A | -2.4994 | |
| 339 | L | A | 0.0000 | |
| 340 | F | A | 0.0000 | |
| 341 | E | A | -2.5516 | |
| 342 | Q | A | -2.1320 | |
| 343 | L | A | 0.0000 | |
| 344 | S | A | -0.3816 | |
| 345 | C | A | -0.4042 | |
| 346 | Y | A | 1.0013 | |
| 347 | N | A | -0.7022 | |
| 348 | N | A | -1.9308 | |
| 349 | N | A | -1.8312 | |
| 350 | F | A | -0.0299 | |
| 351 | C | A | 0.0000 | |
| 352 | N | A | -1.3615 | |
| 353 | T | A | 0.0000 | |
| 354 | N | A | -1.1901 | |
| 355 | G | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | R | A | -1.3066 | |
| 358 | Y | A | -0.8461 | |
| 359 | H | A | 0.0000 | |
| 360 | Y | A | 0.0000 | |
| 361 | D | A | -2.0480 | |
| 362 | E | A | -1.8283 | |
| 363 | Y | A | -0.7729 | |
| 364 | I | A | 0.0000 | |
| 365 | H | A | -1.3213 | |
| 366 | K | A | -1.8092 | |
| 367 | L | A | -0.6467 | |
| 368 | I | A | 0.0000 | |
| 369 | L | A | -0.0352 | |
| 370 | S | A | -0.4038 | |
| 371 | V | A | 0.0000 | |
| 372 | K | A | -1.9444 | |
| 373 | S | A | -1.0326 | |
| 374 | K | A | -1.8052 | |
| 375 | N | A | -2.7938 | |
| 376 | L | A | 0.0000 | |
| 377 | N | A | -3.2733 | |
| 378 | K | A | -3.3906 | |
| 379 | D | A | -2.6258 | |
| 380 | L | A | -2.1994 | |
| 381 | S | A | -2.2573 | |
| 382 | D | A | -2.7964 | |
| 383 | M | A | 0.0000 | |
| 384 | T | A | -1.6488 | |
| 385 | N | A | -2.1057 | |
| 386 | I | A | -1.0870 | |
| 387 | L | A | 0.0000 | |
| 388 | Q | A | -1.2317 | |
| 389 | Q | A | -0.3974 | |
| 390 | S | A | 0.0000 | |
| 391 | E | A | -1.0325 | |
| 392 | L | A | 0.6234 | |
| 393 | L | A | 0.1270 | |
| 394 | L | A | -0.6971 | |
| 395 | T | A | -0.8638 | |
| 396 | N | A | -0.9084 | |
| 397 | L | A | 0.0000 | |
| 398 | N | A | -2.1331 | |
| 399 | K | A | -2.2275 | |
| 400 | K | A | 0.0000 | |
| 401 | M | A | 0.0000 | |
| 402 | G | A | -0.9623 | |
| 403 | S | A | 0.0068 | |
| 404 | Y | A | 0.0000 | |
| 405 | I | A | 0.0000 | |
| 406 | Y | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | T | A | 0.0000 | |
| 410 | I | A | 0.0000 | |
| 411 | K | A | -1.3339 | |
| 412 | F | A | 0.0000 | |
| 413 | I | A | 0.0000 | |
| 414 | H | A | 0.0000 | |
| 415 | K | A | -1.9928 | |
| 416 | E | A | -1.4215 | |
| 417 | M | A | 0.0000 | |
| 418 | K | A | -2.0397 | |
| 419 | H | A | -2.2793 | |
| 420 | I | A | 0.0000 | |
| 421 | F | A | -1.4107 | |
| 422 | N | A | -2.0818 | |
| 423 | R | A | -1.6062 | |
| 424 | I | A | 0.0000 | |
| 425 | E | A | -1.5220 | |
| 426 | Y | A | -0.3355 | |
| 427 | H | A | 0.0000 | |
| 428 | T | A | 0.0000 | |
| 429 | K | A | -2.3291 | |
| 430 | I | A | -1.2049 | |
| 431 | I | A | 0.0000 | |
| 432 | N | A | -3.0127 | |
| 433 | D | A | -3.1103 | |
| 434 | K | A | -2.0544 | |
| 435 | T | A | 0.0000 | |
| 436 | K | A | -2.9233 | |
| 437 | I | A | -1.7999 | |
| 438 | I | A | 0.0000 | |
| 439 | Q | A | -1.8311 | |
| 440 | D | A | -2.4089 | |
| 441 | K | A | -1.4626 | |
| 442 | I | A | 0.0000 | |
| 443 | K | A | -1.6428 | |
| 444 | L | A | 0.1483 | |
| 445 | N | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | W | A | 0.0931 | |
| 448 | R | A | -0.8245 | |
| 449 | T | A | -0.8731 | |
| 450 | F | A | -1.2622 | |
| 451 | Q | A | -2.1173 | |
| 452 | K | A | -2.0017 | |
| 453 | D | A | -1.9490 | |
| 454 | E | A | -1.8031 | |
| 455 | L | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | K | A | -1.7259 | |
| 458 | R | A | -1.1795 | |
| 459 | I | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | D | A | -1.3249 | |
| 462 | M | A | 0.0000 | |
| 463 | S | A | 0.0000 | |
| 464 | N | A | -0.5793 | |
| 465 | E | A | 0.0000 | |
| 466 | Y | A | 0.0000 | |
| 467 | S | A | 0.0000 | |
| 468 | L | A | 0.3973 | |
| 469 | F | A | 0.0000 | |
| 470 | I | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | S | A | 0.0000 | |
| 473 | D | A | 0.0000 | |
| 474 | H | A | -0.6177 | |
| 475 | L | A | 0.0000 | |
| 476 | R | A | 0.0000 | |
| 477 | Q | A | -0.8723 | |
| 478 | M | A | -0.8055 | |
| 479 | L | A | 0.0000 | |
| 480 | Y | A | -0.4346 | |
| 481 | N | A | -1.1360 | |
| 482 | T | A | 0.0000 | |
| 483 | F | A | 0.0000 | |
| 484 | Y | A | -0.9778 | |
| 485 | S | A | -1.8029 | |
| 486 | K | A | 0.0000 | |
| 487 | E | A | -1.2695 | |
| 488 | K | A | -2.2336 | |
| 489 | H | A | -1.8722 | |
| 490 | L | A | 0.0000 | |
| 491 | N | A | -1.6656 | |
| 492 | N | A | -2.3609 | |
| 493 | I | A | 0.0000 | |
| 494 | F | A | 0.0000 | |
| 495 | H | A | -1.1433 | |
| 496 | H | A | -1.6214 | |
| 497 | L | A | 0.0000 | |
| 498 | I | A | 0.3903 | |
| 499 | Y | A | 1.0552 | |
| 500 | V | A | 0.0000 | |
| 501 | L | A | 0.3619 | |
| 502 | Q | A | 0.1149 | |
| 503 | M | A | -0.1745 | |
| 504 | K | A | -1.1853 | |
| 505 | F | A | 0.1990 | |
| 506 | N | A | -1.1127 | |
| 507 | D | A | -0.8614 | |
| 508 | V | A | 0.3795 | |
| 509 | P | A | 0.0000 | |
| 510 | I | A | 0.4612 | |
| 511 | K | A | -1.0001 | |
| 512 | M | A | -1.0337 | |
| 513 | E | A | -1.5814 | |
| 514 | Y | A | 0.0686 | |
| 515 | F | A | -0.1454 | |
| 516 | Q | A | -1.7588 | |
| 517 | T | A | -1.0616 | |
| 518 | Y | A | -0.6327 | |
| 519 | K | A | -2.4695 | |
| 520 | K | A | -2.9055 | |
| 521 | N | A | -2.6925 | |
| 522 | K | A | -2.6200 | |
| 523 | P | A | -1.2577 | |
| 524 | L | A | 0.2615 | |
| 525 | T | A | -0.2483 | |
| 526 | Q | A | -0.8303 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.0705 | 5.788 | View | CSV | PDB |
| 4.5 | -1.1545 | 5.8285 | View | CSV | PDB |
| 5.0 | -1.2502 | 5.9009 | View | CSV | PDB |
| 5.5 | -1.333 | 5.9852 | View | CSV | PDB |
| 6.0 | -1.3768 | 6.0473 | View | CSV | PDB |
| 6.5 | -1.3665 | 6.078 | View | CSV | PDB |
| 7.0 | -1.308 | 6.0898 | View | CSV | PDB |
| 7.5 | -1.2196 | 6.0937 | View | CSV | PDB |
| 8.0 | -1.115 | 6.0949 | View | CSV | PDB |
| 8.5 | -0.9982 | 6.0951 | View | CSV | PDB |
| 9.0 | -0.8677 | 6.0945 | 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