| Chain sequence(s) |
A: MAKRLVLFVAVVVALVALTVAEGEASEQLQCERELQELQERELKACQQVMDQQLRDISPECHPVVVSPVAGQYEQQIVVPPKGGSFYPGETTPPQQLQQRIFWGIPALLKRYYPSVTCPQQVSYYPGQASPQRPGQGQQPGQGQQGYYPTSPQQPGQWQQPEQGQPRYYPTSPQQSGQLQQPAQGQQPGQGQQGQQPGQGQPGYYPTSSQLQPGQLQQPAQGQQGQQPGQAQQGQQPGQGQQPGQGQQGQQPGQGQQPGQGQQGQQLGQGQQGYYPTSLQQSGQGQPGYYPTSLQQLGQGQSGYYPTSPQQPGQGQQPGQLQQPAQGQQPGQGQQGQQPGQGQQGQQPGQGQQPGQGQPGYYPTSPQQSGQGQPGYYPTSSQQPTQSQQPGQGQQGQQVGQGQQAQQPGQGQQPGQGQPGYYPTSPQQSGQGQPGYYLTSPQQSGQGQQPGQLQQSAQGQKGQQPGQGQQPGQGQQGQQPGQGQQGQQPGQGQPGYYPTSPQQSGQGQQPGQWQQPGQGQPGYYPTSPLQPGQGQPGYDPTSPQQPGQGQQPGQLQQPAQGQQGQQLAQGQQGQQPAQVQQGQRPAQGQQGQQPGQGQQGQQLGQGQQGQQPGQGQQGQQPAQGQQGQQPGQGQQGQQPGQGQQGQQPGQGQQPGQGQPWYYPTSPQESGQGQQPGQWQQPGQGQPGYYLTSPLQLGQGQQGYYPTSLQQPGQGQQPGQWQQSGQGQHWYYPTSPQLSGQGQRPGQWLQPGQGQQGYYPTSPQQPGQGQQLGQWLQPGQGQQGYYPTSLQQTGQGQQSGQGQQGYYSSYHVSVEHQAASLKVAKAQQLAAQLPAMCRLEGGDALSASQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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 (00:04:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3ec3a4687c1309e/tmp/folded.pdb (00:04:38)
[INFO] Main: Simulation completed successfully. (00:08:09)
|
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 | 0.5402 | |
| 2 | A | A | 0.3131 | |
| 3 | K | A | -0.8578 | |
| 4 | R | A | -0.2721 | |
| 5 | L | A | 2.2231 | |
| 6 | V | A | 3.0421 | |
| 7 | L | A | 3.0510 | |
| 8 | F | A | 4.2152 | |
| 9 | V | A | 4.4892 | |
| 10 | A | A | 4.0867 | |
| 11 | V | A | 5.0539 | |
| 12 | V | A | 4.9597 | |
| 13 | V | A | 4.7584 | |
| 14 | A | A | 3.8643 | |
| 15 | L | A | 4.6137 | |
| 16 | V | A | 4.5470 | |
| 17 | A | A | 3.2625 | |
| 18 | L | A | 3.0472 | |
| 19 | T | A | 1.6713 | |
| 20 | V | A | 1.8905 | |
| 21 | A | A | 0.3570 | |
| 22 | E | A | -1.6938 | |
| 23 | G | A | -1.5560 | |
| 24 | E | A | -2.6390 | |
| 25 | A | A | -1.8073 | |
| 26 | S | A | -2.2875 | |
| 27 | E | A | -3.3806 | |
| 28 | Q | A | -2.8994 | |
| 29 | L | A | -1.6881 | |
| 30 | Q | A | -3.2172 | |
| 31 | C | A | -3.0725 | |
| 32 | E | A | -3.7327 | |
| 33 | R | A | -4.5079 | |
| 34 | E | A | -4.0747 | |
| 35 | L | A | -2.5868 | |
| 36 | Q | A | -4.4081 | |
| 37 | E | A | -4.4407 | |
| 38 | L | A | -3.1532 | |
| 39 | Q | A | -3.7551 | |
| 40 | E | A | -3.9416 | |
| 41 | R | A | -4.1630 | |
| 42 | E | A | -3.4874 | |
| 43 | L | A | -1.7089 | |
| 44 | K | A | -2.8731 | |
| 45 | A | A | -1.8121 | |
| 46 | C | A | -0.6005 | |
| 47 | Q | A | -1.7968 | |
| 48 | Q | A | -1.7445 | |
| 49 | V | A | 0.0587 | |
| 50 | M | A | -0.4953 | |
| 51 | D | A | -1.7271 | |
| 52 | Q | A | -1.9255 | |
| 53 | Q | A | -1.6427 | |
| 54 | L | A | -0.8937 | |
| 55 | R | A | -1.7523 | |
| 56 | D | A | -1.9107 | |
| 57 | I | A | 0.3814 | |
| 58 | S | A | -0.7244 | |
| 59 | P | A | -1.4695 | |
| 60 | E | A | -2.1106 | |
| 61 | C | A | -0.9072 | |
| 62 | H | A | -0.8500 | |
| 63 | P | A | 0.6356 | |
| 64 | V | A | 2.7672 | |
| 65 | V | A | 3.1828 | |
| 66 | V | A | 3.2158 | |
| 67 | S | A | 1.8819 | |
| 68 | P | A | 1.1570 | |
| 69 | V | A | 1.5503 | |
| 70 | A | A | 0.4677 | |
| 71 | G | A | -0.3882 | |
| 72 | Q | A | -0.8499 | |
| 73 | Y | A | -0.5136 | |
| 74 | E | A | -2.3907 | |
| 75 | Q | A | -2.0969 | |
| 76 | Q | A | -0.9561 | |
| 77 | I | A | 2.4119 | |
| 78 | V | A | 3.2808 | |
| 79 | V | A | 2.8708 | |
| 80 | P | A | 0.4992 | |
| 81 | P | A | -0.9023 | |
| 82 | K | A | -2.1928 | |
| 83 | G | A | -1.6189 | |
| 84 | G | A | -0.6881 | |
| 85 | S | A | 0.6842 | |
| 86 | F | A | 2.3092 | |
| 87 | Y | A | 1.7562 | |
| 88 | P | A | 0.3111 | |
| 89 | G | A | -1.2295 | |
| 90 | E | A | -2.0230 | |
| 91 | T | A | -1.2082 | |
| 92 | T | A | -0.8491 | |
| 93 | P | A | -0.7747 | |
| 94 | P | A | -1.0633 | |
| 95 | Q | A | -1.9743 | |
| 96 | Q | A | -2.0263 | |
| 97 | L | A | -0.4180 | |
| 98 | Q | A | -1.1987 | |
| 99 | Q | A | -1.5298 | |
| 100 | R | A | -1.0086 | |
| 101 | I | A | 1.0869 | |
| 102 | F | A | 2.2839 | |
| 103 | W | A | 1.8382 | |
| 104 | G | A | 1.5378 | |
| 105 | I | A | 3.1066 | |
| 106 | P | A | 1.6734 | |
| 107 | A | A | 1.0612 | |
| 108 | L | A | 1.8394 | |
| 109 | L | A | 1.8052 | |
| 110 | K | A | -0.7305 | |
| 111 | R | A | -0.8198 | |
| 112 | Y | A | 0.9912 | |
| 113 | Y | A | 1.4553 | |
| 114 | P | A | 0.8674 | |
| 115 | S | A | 1.0544 | |
| 116 | V | A | 1.9572 | |
| 117 | T | A | 0.5341 | |
| 118 | C | A | -0.5096 | |
| 119 | P | A | -0.6308 | |
| 120 | Q | A | -1.5230 | |
| 121 | Q | A | -1.0645 | |
| 122 | V | A | 1.3236 | |
| 123 | S | A | 1.0849 | |
| 124 | Y | A | 2.0728 | |
| 125 | Y | A | 1.7776 | |
| 126 | P | A | 0.2979 | |
| 127 | G | A | -0.3668 | |
| 128 | Q | A | -1.2700 | |
| 129 | A | A | -0.9203 | |
| 130 | S | A | -0.8632 | |
| 131 | P | A | -1.4573 | |
| 132 | Q | A | -2.3557 | |
| 133 | R | A | -2.8543 | |
| 134 | P | A | -1.9249 | |
| 135 | G | A | -1.8970 | |
| 136 | Q | A | -2.1976 | |
| 137 | G | A | -2.1417 | |
| 138 | Q | A | -2.3926 | |
| 139 | Q | A | -2.2502 | |
| 140 | P | A | -1.6137 | |
| 141 | G | A | -1.7275 | |
| 142 | Q | A | -2.0860 | |
| 143 | G | A | -2.0875 | |
| 144 | Q | A | -2.4484 | |
| 145 | Q | A | -1.9407 | |
| 146 | G | A | -0.6586 | |
| 147 | Y | A | 1.3899 | |
| 148 | Y | A | 1.7141 | |
| 149 | P | A | 0.5585 | |
| 150 | T | A | -0.2259 | |
| 151 | S | A | -0.7105 | |
| 152 | P | A | -1.2773 | |
| 153 | Q | A | -2.0646 | |
| 154 | Q | A | -2.1952 | |
| 155 | P | A | -1.4783 | |
| 156 | G | A | -1.5383 | |
| 157 | Q | A | -1.5573 | |
| 158 | W | A | -0.4412 | |
| 159 | Q | A | -1.9516 | |
| 160 | Q | A | -2.4306 | |
| 161 | P | A | -2.1678 | |
| 162 | E | A | -3.0530 | |
| 163 | Q | A | -2.7410 | |
| 164 | G | A | -2.3191 | |
| 165 | Q | A | -2.1281 | |
| 166 | P | A | -1.5503 | |
| 167 | R | A | -1.4272 | |
| 168 | Y | A | 0.8039 | |
| 169 | Y | A | 1.4295 | |
| 170 | P | A | 0.6971 | |
| 171 | T | A | -0.0785 | |
| 172 | S | A | -0.8215 | |
| 173 | P | A | -1.2159 | |
| 174 | Q | A | -2.0952 | |
| 175 | Q | A | -2.1613 | |
| 176 | S | A | -1.5314 | |
| 177 | G | A | -1.1033 | |
| 178 | Q | A | -0.9391 | |
| 179 | L | A | 0.0339 | |
| 180 | Q | A | -1.2971 | |
| 181 | Q | A | -1.6065 | |
| 182 | P | A | -1.4276 | |
| 183 | A | A | -1.2126 | |
| 184 | Q | A | -1.7031 | |
| 185 | G | A | -1.8979 | |
| 186 | Q | A | -2.3654 | |
| 187 | Q | A | -2.2594 | |
| 188 | P | A | -1.8014 | |
| 189 | G | A | -1.7384 | |
| 190 | Q | A | -2.2299 | |
| 191 | G | A | -2.0671 | |
| 192 | Q | A | -2.6257 | |
| 193 | Q | A | -2.7350 | |
| 194 | G | A | -2.3604 | |
| 195 | Q | A | -2.5991 | |
| 196 | Q | A | -2.3710 | |
| 197 | P | A | -1.8143 | |
| 198 | G | A | -1.8215 | |
| 199 | Q | A | -1.9816 | |
| 200 | G | A | -1.7900 | |
| 201 | Q | A | -1.9715 | |
| 202 | P | A | -1.1508 | |
| 203 | G | A | 0.0522 | |
| 204 | Y | A | 1.6638 | |
| 205 | Y | A | 1.7150 | |
| 206 | P | A | 0.7151 | |
| 207 | T | A | -0.0671 | |
| 208 | S | A | -0.3829 | |
| 209 | S | A | -0.7141 | |
| 210 | Q | A | -0.8745 | |
| 211 | L | A | 0.1963 | |
| 212 | Q | A | -0.9909 | |
| 213 | P | A | -0.9859 | |
| 214 | G | A | -0.9901 | |
| 215 | Q | A | -0.9466 | |
| 216 | L | A | 0.0355 | |
| 217 | Q | A | -1.3213 | |
| 218 | Q | A | -1.7387 | |
| 219 | P | A | -1.4317 | |
| 220 | A | A | -1.0307 | |
| 221 | Q | A | -1.8153 | |
| 222 | G | A | -1.8968 | |
| 223 | Q | A | -2.4125 | |
| 224 | Q | A | -2.4388 | |
| 225 | G | A | -2.2158 | |
| 226 | Q | A | -2.3599 | |
| 227 | Q | A | -2.2813 | |
| 228 | P | A | -1.7080 | |
| 229 | G | A | -1.6216 | |
| 230 | Q | A | -1.9769 | |
| 231 | A | A | -1.5588 | |
| 232 | Q | A | -2.3124 | |
| 233 | Q | A | -2.4923 | |
| 234 | G | A | -2.3091 | |
| 235 | Q | A | -2.4868 | |
| 236 | Q | A | -2.1069 | |
| 237 | P | A | -1.6682 | |
| 238 | G | A | -1.5599 | |
| 239 | Q | A | -1.9459 | |
| 240 | G | A | -1.9421 | |
| 241 | Q | A | -2.2995 | |
| 242 | Q | A | -2.1012 | |
| 243 | P | A | -1.6358 | |
| 244 | G | A | -1.5160 | |
| 245 | Q | A | -1.9644 | |
| 246 | G | A | -2.0953 | |
| 247 | Q | A | -2.4006 | |
| 248 | Q | A | -2.3817 | |
| 249 | G | A | -2.1558 | |
| 250 | Q | A | -2.3249 | |
| 251 | Q | A | -2.2247 | |
| 252 | P | A | -1.6688 | |
| 253 | G | A | -1.5590 | |
| 254 | Q | A | -2.0993 | |
| 255 | G | A | -1.9455 | |
| 256 | Q | A | -2.3124 | |
| 257 | Q | A | -2.2358 | |
| 258 | P | A | -1.6721 | |
| 259 | G | A | -1.5438 | |
| 260 | Q | A | -2.0873 | |
| 261 | G | A | -1.9787 | |
| 262 | Q | A | -2.4795 | |
| 263 | Q | A | -2.3801 | |
| 264 | G | A | -2.0996 | |
| 265 | Q | A | -2.0744 | |
| 266 | Q | A | -1.2538 | |
| 267 | L | A | 0.1239 | |
| 268 | G | A | -0.6837 | |
| 269 | Q | A | -1.6981 | |
| 270 | G | A | -2.0221 | |
| 271 | Q | A | -2.2281 | |
| 272 | Q | A | -1.6964 | |
| 273 | G | A | -0.4041 | |
| 274 | Y | A | 1.2528 | |
| 275 | Y | A | 1.5508 | |
| 276 | P | A | 0.7634 | |
| 277 | T | A | 0.4550 | |
| 278 | S | A | 0.1801 | |
| 279 | L | A | 0.4264 | |
| 280 | Q | A | -0.9930 | |
| 281 | Q | A | -1.7970 | |
| 282 | S | A | -1.4512 | |
| 283 | G | A | -1.5267 | |
| 284 | Q | A | -2.0610 | |
| 285 | G | A | -1.8590 | |
| 286 | Q | A | -1.9225 | |
| 287 | P | A | -1.0297 | |
| 288 | G | A | -0.0047 | |
| 289 | Y | A | 1.6168 | |
| 290 | Y | A | 1.7142 | |
| 291 | P | A | 0.6629 | |
| 292 | T | A | 0.1687 | |
| 293 | S | A | 0.1740 | |
| 294 | L | A | 0.4823 | |
| 295 | Q | A | -0.6528 | |
| 296 | Q | A | -0.7924 | |
| 297 | L | A | 0.1174 | |
| 298 | G | A | -0.6480 | |
| 299 | Q | A | -1.5567 | |
| 300 | G | A | -1.6386 | |
| 301 | Q | A | -1.8747 | |
| 302 | S | A | -0.8823 | |
| 303 | G | A | 0.0427 | |
| 304 | Y | A | 1.6582 | |
| 305 | Y | A | 1.7264 | |
| 306 | P | A | 0.5658 | |
| 307 | T | A | -0.4025 | |
| 308 | S | A | -1.2657 | |
| 309 | P | A | -1.5995 | |
| 310 | Q | A | -2.3481 | |
| 311 | Q | A | -2.1983 | |
| 312 | P | A | -1.5848 | |
| 313 | G | A | -1.5057 | |
| 314 | Q | A | -2.1031 | |
| 315 | G | A | -1.9842 | |
| 316 | Q | A | -2.3515 | |
| 317 | Q | A | -2.2195 | |
| 318 | P | A | -1.3329 | |
| 319 | G | A | -1.0726 | |
| 320 | Q | A | -0.9305 | |
| 321 | L | A | 0.0168 | |
| 322 | Q | A | -1.3216 | |
| 323 | Q | A | -1.5927 | |
| 324 | P | A | -1.3513 | |
| 325 | A | A | -1.0219 | |
| 326 | Q | A | -1.7423 | |
| 327 | G | A | -1.9361 | |
| 328 | Q | A | -2.2975 | |
| 329 | Q | A | -2.1128 | |
| 330 | P | A | -1.7195 | |
| 331 | G | A | -1.5882 | |
| 332 | Q | A | -2.0140 | |
| 333 | G | A | -2.0915 | |
| 334 | Q | A | -2.3615 | |
| 335 | Q | A | -2.3873 | |
| 336 | G | A | -2.2418 | |
| 337 | Q | A | -2.3393 | |
| 338 | Q | A | -2.1368 | |
| 339 | P | A | -1.6801 | |
| 340 | G | A | -1.6164 | |
| 341 | Q | A | -1.9816 | |
| 342 | G | A | -2.0545 | |
| 343 | Q | A | -2.4629 | |
| 344 | Q | A | -2.4330 | |
| 345 | G | A | -2.1218 | |
| 346 | Q | A | -2.3568 | |
| 347 | Q | A | -2.1898 | |
| 348 | P | A | -1.6369 | |
| 349 | G | A | -1.5049 | |
| 350 | Q | A | -2.1861 | |
| 351 | G | A | -2.1367 | |
| 352 | Q | A | -2.4625 | |
| 353 | Q | A | -2.3283 | |
| 354 | P | A | -1.6363 | |
| 355 | G | A | -1.7497 | |
| 356 | Q | A | -2.1031 | |
| 357 | G | A | -2.0674 | |
| 358 | Q | A | -1.9095 | |
| 359 | P | A | -1.0680 | |
| 360 | G | A | 0.0118 | |
| 361 | Y | A | 1.4838 | |
| 362 | Y | A | 1.6775 | |
| 363 | P | A | 0.6266 | |
| 364 | T | A | -0.1642 | |
| 365 | S | A | -0.7220 | |
| 366 | P | A | -1.2910 | |
| 367 | Q | A | -2.0650 | |
| 368 | Q | A | -2.2753 | |
| 369 | S | A | -2.0803 | |
| 370 | G | A | -2.2348 | |
| 371 | Q | A | -2.4880 | |
| 372 | G | A | -2.1394 | |
| 373 | Q | A | -1.9768 | |
| 374 | P | A | -1.0408 | |
| 375 | G | A | -0.1299 | |
| 376 | Y | A | 1.4726 | |
| 377 | Y | A | 1.6490 | |
| 378 | P | A | 0.7251 | |
| 379 | T | A | 0.1026 | |
| 380 | S | A | -0.5334 | |
| 381 | S | A | -1.1709 | |
| 382 | Q | A | -2.0309 | |
| 383 | Q | A | -2.0250 | |
| 384 | P | A | -1.5026 | |
| 385 | T | A | -1.0884 | |
| 386 | Q | A | -1.6615 | |
| 387 | S | A | -1.7321 | |
| 388 | Q | A | -2.3209 | |
| 389 | Q | A | -2.2972 | |
| 390 | P | A | -1.7580 | |
| 391 | G | A | -1.7749 | |
| 392 | Q | A | -2.1521 | |
| 393 | G | A | -2.1372 | |
| 394 | Q | A | -2.4199 | |
| 395 | Q | A | -2.4171 | |
| 396 | G | A | -2.2763 | |
| 397 | Q | A | -1.9541 | |
| 398 | Q | A | -1.0221 | |
| 399 | V | A | 0.4099 | |
| 400 | G | A | -0.6683 | |
| 401 | Q | A | -1.5626 | |
| 402 | G | A | -2.0726 | |
| 403 | Q | A | -2.2757 | |
| 404 | Q | A | -2.0812 | |
| 405 | A | A | -1.6604 | |
| 406 | Q | A | -2.0473 | |
| 407 | Q | A | -2.0082 | |
| 408 | P | A | -1.6387 | |
| 409 | G | A | -1.5352 | |
| 410 | Q | A | -1.9419 | |
| 411 | G | A | -1.9872 | |
| 412 | Q | A | -2.3028 | |
| 413 | Q | A | -2.1138 | |
| 414 | P | A | -1.6634 | |
| 415 | G | A | -1.5265 | |
| 416 | Q | A | -1.9582 | |
| 417 | G | A | -1.7551 | |
| 418 | Q | A | -1.7857 | |
| 419 | P | A | -0.9532 | |
| 420 | G | A | 0.0220 | |
| 421 | Y | A | 1.4871 | |
| 422 | Y | A | 1.6920 | |
| 423 | P | A | 0.6886 | |
| 424 | T | A | -0.1729 | |
| 425 | S | A | -0.7243 | |
| 426 | P | A | -1.1916 | |
| 427 | Q | A | -1.9975 | |
| 428 | Q | A | -2.0282 | |
| 429 | S | A | -1.5632 | |
| 430 | G | A | -1.5267 | |
| 431 | Q | A | -1.9468 | |
| 432 | G | A | -1.8160 | |
| 433 | Q | A | -1.7933 | |
| 434 | P | A | -0.9869 | |
| 435 | G | A | -0.0126 | |
| 436 | Y | A | 1.8798 | |
| 437 | Y | A | 2.4419 | |
| 438 | L | A | 2.3927 | |
| 439 | T | A | 0.8491 | |
| 440 | S | A | -0.4474 | |
| 441 | P | A | -1.0460 | |
| 442 | Q | A | -2.0738 | |
| 443 | Q | A | -2.1275 | |
| 444 | S | A | -1.5567 | |
| 445 | G | A | -1.6119 | |
| 446 | Q | A | -1.9492 | |
| 447 | G | A | -2.0880 | |
| 448 | Q | A | -2.4426 | |
| 449 | Q | A | -2.3086 | |
| 450 | P | A | -1.7889 | |
| 451 | G | A | -1.3829 | |
| 452 | Q | A | -1.0817 | |
| 453 | L | A | 0.0309 | |
| 454 | Q | A | -1.3454 | |
| 455 | Q | A | -1.5758 | |
| 456 | S | A | -1.3697 | |
| 457 | A | A | -1.0534 | |
| 458 | Q | A | -1.7174 | |
| 459 | G | A | -2.0662 | |
| 460 | Q | A | -2.7217 | |
| 461 | K | A | -2.9388 | |
| 462 | G | A | -2.4438 | |
| 463 | Q | A | -2.5017 | |
| 464 | Q | A | -2.2039 | |
| 465 | P | A | -1.6204 | |
| 466 | G | A | -1.5167 | |
| 467 | Q | A | -2.0194 | |
| 468 | G | A | -2.1282 | |
| 469 | Q | A | -2.3430 | |
| 470 | Q | A | -2.1339 | |
| 471 | P | A | -1.7297 | |
| 472 | G | A | -1.5345 | |
| 473 | Q | A | -2.0396 | |
| 474 | G | A | -2.2233 | |
| 475 | Q | A | -2.4367 | |
| 476 | Q | A | -2.4392 | |
| 477 | G | A | -2.3224 | |
| 478 | Q | A | -2.3438 | |
| 479 | Q | A | -2.1334 | |
| 480 | P | A | -1.7057 | |
| 481 | G | A | -1.5665 | |
| 482 | Q | A | -2.1111 | |
| 483 | G | A | -2.0508 | |
| 484 | Q | A | -2.6213 | |
| 485 | Q | A | -2.7115 | |
| 486 | G | A | -2.1101 | |
| 487 | Q | A | -2.4772 | |
| 488 | Q | A | -2.4004 | |
| 489 | P | A | -1.7603 | |
| 490 | G | A | -1.6620 | |
| 491 | Q | A | -2.1703 | |
| 492 | G | A | -1.9485 | |
| 493 | Q | A | -1.8483 | |
| 494 | P | A | -1.0821 | |
| 495 | G | A | 0.0506 | |
| 496 | Y | A | 1.4715 | |
| 497 | Y | A | 1.7091 | |
| 498 | P | A | 0.7495 | |
| 499 | T | A | 0.0733 | |
| 500 | S | A | -0.8387 | |
| 501 | P | A | -1.1917 | |
| 502 | Q | A | -2.0052 | |
| 503 | Q | A | -2.0618 | |
| 504 | S | A | -1.5400 | |
| 505 | G | A | -1.4838 | |
| 506 | Q | A | -1.9600 | |
| 507 | G | A | -1.9418 | |
| 508 | Q | A | -2.3116 | |
| 509 | Q | A | -2.2057 | |
| 510 | P | A | -1.5478 | |
| 511 | G | A | -1.2916 | |
| 512 | Q | A | -1.4404 | |
| 513 | W | A | -0.4297 | |
| 514 | Q | A | -1.5992 | |
| 515 | Q | A | -1.8744 | |
| 516 | P | A | -1.4593 | |
| 517 | G | A | -1.6880 | |
| 518 | Q | A | -1.9473 | |
| 519 | G | A | -1.8186 | |
| 520 | Q | A | -1.8042 | |
| 521 | P | A | -0.9851 | |
| 522 | G | A | -0.0910 | |
| 523 | Y | A | 1.4884 | |
| 524 | Y | A | 1.8784 | |
| 525 | P | A | 1.2632 | |
| 526 | T | A | 1.0639 | |
| 527 | S | A | 0.7781 | |
| 528 | P | A | 0.2861 | |
| 529 | L | A | 0.7379 | |
| 530 | Q | A | -0.7642 | |
| 531 | P | A | -1.0387 | |
| 532 | G | A | -1.5641 | |
| 533 | Q | A | -2.0006 | |
| 534 | G | A | -1.9629 | |
| 535 | Q | A | -1.9792 | |
| 536 | P | A | -1.3254 | |
| 537 | G | A | -0.6996 | |
| 538 | Y | A | -0.0171 | |
| 539 | D | A | -1.3177 | |
| 540 | P | A | -0.9566 | |
| 541 | T | A | -0.6893 | |
| 542 | S | A | -0.6620 | |
| 543 | P | A | -1.2430 | |
| 544 | Q | A | -1.9920 | |
| 545 | Q | A | -2.0632 | |
| 546 | P | A | -1.6365 | |
| 547 | G | A | -1.5181 | |
| 548 | Q | A | -1.9978 | |
| 549 | G | A | -2.0557 | |
| 550 | Q | A | -2.3243 | |
| 551 | Q | A | -2.2478 | |
| 552 | P | A | -1.6848 | |
| 553 | G | A | -1.2384 | |
| 554 | Q | A | -1.1493 | |
| 555 | L | A | -0.0143 | |
| 556 | Q | A | -1.2655 | |
| 557 | Q | A | -1.5421 | |
| 558 | P | A | -1.3393 | |
| 559 | A | A | -1.0387 | |
| 560 | Q | A | -1.6946 | |
| 561 | G | A | -1.9425 | |
| 562 | Q | A | -2.3773 | |
| 563 | Q | A | -2.4220 | |
| 564 | G | A | -2.2191 | |
| 565 | Q | A | -1.9772 | |
| 566 | Q | A | -1.0078 | |
| 567 | L | A | 0.4418 | |
| 568 | A | A | -0.1247 | |
| 569 | Q | A | -1.4068 | |
| 570 | G | A | -1.9683 | |
| 571 | Q | A | -2.5310 | |
| 572 | Q | A | -2.4112 | |
| 573 | G | A | -2.1461 | |
| 574 | Q | A | -2.4386 | |
| 575 | Q | A | -2.0103 | |
| 576 | P | A | -1.4144 | |
| 577 | A | A | -0.5899 | |
| 578 | Q | A | -0.6287 | |
| 579 | V | A | 0.2703 | |
| 580 | Q | A | -1.1386 | |
| 581 | Q | A | -1.8368 | |
| 582 | G | A | -2.2826 | |
| 583 | Q | A | -2.6008 | |
| 584 | R | A | -2.7442 | |
| 585 | P | A | -1.6255 | |
| 586 | A | A | -1.2075 | |
| 587 | Q | A | -2.0599 | |
| 588 | G | A | -1.9691 | |
| 589 | Q | A | -2.4063 | |
| 590 | Q | A | -2.6162 | |
| 591 | G | A | -2.1020 | |
| 592 | Q | A | -2.3712 | |
| 593 | Q | A | -2.2376 | |
| 594 | P | A | -1.6525 | |
| 595 | G | A | -1.7140 | |
| 596 | Q | A | -2.0135 | |
| 597 | G | A | -2.1715 | |
| 598 | Q | A | -2.4770 | |
| 599 | Q | A | -2.4453 | |
| 600 | G | A | -2.2657 | |
| 601 | Q | A | -1.9508 | |
| 602 | Q | A | -1.2059 | |
| 603 | L | A | 0.1743 | |
| 604 | G | A | -0.7100 | |
| 605 | Q | A | -1.6155 | |
| 606 | G | A | -1.9442 | |
| 607 | Q | A | -2.3799 | |
| 608 | Q | A | -2.5256 | |
| 609 | G | A | -2.2987 | |
| 610 | Q | A | -2.3234 | |
| 611 | Q | A | -2.3719 | |
| 612 | P | A | -1.6904 | |
| 613 | G | A | -1.6579 | |
| 614 | Q | A | -2.3175 | |
| 615 | G | A | -2.2633 | |
| 616 | Q | A | -2.6925 | |
| 617 | Q | A | -2.6826 | |
| 618 | G | A | -2.4009 | |
| 619 | Q | A | -2.5308 | |
| 620 | Q | A | -2.3612 | |
| 621 | P | A | -1.5417 | |
| 622 | A | A | -1.3645 | |
| 623 | Q | A | -2.1134 | |
| 624 | G | A | -1.9094 | |
| 625 | Q | A | -2.5840 | |
| 626 | Q | A | -2.7228 | |
| 627 | G | A | -2.3499 | |
| 628 | Q | A | -2.5585 | |
| 629 | Q | A | -2.4993 | |
| 630 | P | A | -1.7069 | |
| 631 | G | A | -1.9764 | |
| 632 | Q | A | -2.3353 | |
| 633 | G | A | -2.2224 | |
| 634 | Q | A | -2.5360 | |
| 635 | Q | A | -2.5863 | |
| 636 | G | A | -2.3142 | |
| 637 | Q | A | -2.3266 | |
| 638 | Q | A | -2.1220 | |
| 639 | P | A | -1.6572 | |
| 640 | G | A | -1.5345 | |
| 641 | Q | A | -1.9990 | |
| 642 | G | A | -2.0689 | |
| 643 | Q | A | -2.3624 | |
| 644 | Q | A | -2.3397 | |
| 645 | G | A | -2.0963 | |
| 646 | Q | A | -2.3491 | |
| 647 | Q | A | -2.1685 | |
| 648 | P | A | -1.6803 | |
| 649 | G | A | -1.5702 | |
| 650 | Q | A | -1.9881 | |
| 651 | G | A | -2.0514 | |
| 652 | Q | A | -2.3496 | |
| 653 | Q | A | -2.1113 | |
| 654 | P | A | -1.6868 | |
| 655 | G | A | -1.6261 | |
| 656 | Q | A | -1.9874 | |
| 657 | G | A | -1.7050 | |
| 658 | Q | A | -1.3416 | |
| 659 | P | A | -0.0299 | |
| 660 | W | A | 1.6661 | |
| 661 | Y | A | 2.3692 | |
| 662 | Y | A | 2.0652 | |
| 663 | P | A | 0.8679 | |
| 664 | T | A | -0.2146 | |
| 665 | S | A | -0.7102 | |
| 666 | P | A | -1.3482 | |
| 667 | Q | A | -2.4814 | |
| 668 | E | A | -2.7647 | |
| 669 | S | A | -1.9714 | |
| 670 | G | A | -1.8121 | |
| 671 | Q | A | -2.0163 | |
| 672 | G | A | -2.1452 | |
| 673 | Q | A | -2.3659 | |
| 674 | Q | A | -2.1171 | |
| 675 | P | A | -1.6782 | |
| 676 | G | A | -1.2405 | |
| 677 | Q | A | -1.1430 | |
| 678 | W | A | -0.3535 | |
| 679 | Q | A | -1.5407 | |
| 680 | Q | A | -1.7740 | |
| 681 | P | A | -1.5021 | |
| 682 | G | A | -1.5055 | |
| 683 | Q | A | -1.9906 | |
| 684 | G | A | -1.8662 | |
| 685 | Q | A | -1.8828 | |
| 686 | P | A | -0.8898 | |
| 687 | G | A | 0.1056 | |
| 688 | Y | A | 2.0827 | |
| 689 | Y | A | 2.7352 | |
| 690 | L | A | 2.4978 | |
| 691 | T | A | 0.7366 | |
| 692 | S | A | 0.2376 | |
| 693 | P | A | 0.1348 | |
| 694 | L | A | 0.9478 | |
| 695 | Q | A | -0.0225 | |
| 696 | L | A | 0.6979 | |
| 697 | G | A | -0.6346 | |
| 698 | Q | A | -1.6657 | |
| 699 | G | A | -2.0647 | |
| 700 | Q | A | -2.4030 | |
| 701 | Q | A | -1.9016 | |
| 702 | G | A | -0.5384 | |
| 703 | Y | A | 1.4828 | |
| 704 | Y | A | 1.7609 | |
| 705 | P | A | 0.7315 | |
| 706 | T | A | 0.2053 | |
| 707 | S | A | 0.1098 | |
| 708 | L | A | 0.5899 | |
| 709 | Q | A | -1.1642 | |
| 710 | Q | A | -1.7411 | |
| 711 | P | A | -1.6363 | |
| 712 | G | A | -1.5663 | |
| 713 | Q | A | -1.9665 | |
| 714 | G | A | -2.0336 | |
| 715 | Q | A | -2.3499 | |
| 716 | Q | A | -2.1597 | |
| 717 | P | A | -1.6624 | |
| 718 | G | A | -1.2428 | |
| 719 | Q | A | -1.2029 | |
| 720 | W | A | -0.4373 | |
| 721 | Q | A | -1.4822 | |
| 722 | Q | A | -1.8829 | |
| 723 | S | A | -1.5111 | |
| 724 | G | A | -1.5660 | |
| 725 | Q | A | -2.1031 | |
| 726 | G | A | -2.0070 | |
| 727 | Q | A | -1.9951 | |
| 728 | H | A | -0.9104 | |
| 729 | W | A | 1.4872 | |
| 730 | Y | A | 2.3418 | |
| 731 | Y | A | 2.0548 | |
| 732 | P | A | 0.6428 | |
| 733 | T | A | -0.0800 | |
| 734 | S | A | -0.5510 | |
| 735 | P | A | -0.6916 | |
| 736 | Q | A | -0.6710 | |
| 737 | L | A | 0.5471 | |
| 738 | S | A | -0.2804 | |
| 739 | G | A | -1.0959 | |
| 740 | Q | A | -1.8101 | |
| 741 | G | A | -2.1325 | |
| 742 | Q | A | -2.8145 | |
| 743 | R | A | -3.0054 | |
| 744 | P | A | -1.9996 | |
| 745 | G | A | -1.4906 | |
| 746 | Q | A | -0.8445 | |
| 747 | W | A | 1.0146 | |
| 748 | L | A | 1.2041 | |
| 749 | Q | A | -0.3231 | |
| 750 | P | A | -0.9472 | |
| 751 | G | A | -1.4945 | |
| 752 | Q | A | -1.9594 | |
| 753 | G | A | -2.0044 | |
| 754 | Q | A | -2.3615 | |
| 755 | Q | A | -1.8162 | |
| 756 | G | A | -0.4683 | |
| 757 | Y | A | 1.4099 | |
| 758 | Y | A | 1.7138 | |
| 759 | P | A | 0.5183 | |
| 760 | T | A | -0.2448 | |
| 761 | S | A | -0.8420 | |
| 762 | P | A | -1.3383 | |
| 763 | Q | A | -2.0218 | |
| 764 | Q | A | -2.0791 | |
| 765 | P | A | -1.6253 | |
| 766 | G | A | -1.6661 | |
| 767 | Q | A | -2.1050 | |
| 768 | G | A | -1.9785 | |
| 769 | Q | A | -2.1105 | |
| 770 | Q | A | -1.4469 | |
| 771 | L | A | 0.2773 | |
| 772 | G | A | -0.3952 | |
| 773 | Q | A | -0.2016 | |
| 774 | W | A | 1.2018 | |
| 775 | L | A | 1.2040 | |
| 776 | Q | A | -0.2770 | |
| 777 | P | A | -0.9229 | |
| 778 | G | A | -1.5224 | |
| 779 | Q | A | -1.9952 | |
| 780 | G | A | -2.0781 | |
| 781 | Q | A | -2.4249 | |
| 782 | Q | A | -1.9204 | |
| 783 | G | A | -0.5514 | |
| 784 | Y | A | 1.4304 | |
| 785 | Y | A | 1.7248 | |
| 786 | P | A | 0.7124 | |
| 787 | T | A | 0.3287 | |
| 788 | S | A | 0.0773 | |
| 789 | L | A | 0.5777 | |
| 790 | Q | A | -1.1450 | |
| 791 | Q | A | -1.6283 | |
| 792 | T | A | -1.4891 | |
| 793 | G | A | -1.7156 | |
| 794 | Q | A | -1.9416 | |
| 795 | G | A | -2.0403 | |
| 796 | Q | A | -2.3939 | |
| 797 | Q | A | -2.1098 | |
| 798 | S | A | -1.6245 | |
| 799 | G | A | -1.6659 | |
| 800 | Q | A | -2.1000 | |
| 801 | G | A | -2.0609 | |
| 802 | Q | A | -2.4535 | |
| 803 | Q | A | -1.9392 | |
| 804 | G | A | -0.4279 | |
| 805 | Y | A | 1.3869 | |
| 806 | Y | A | 1.8305 | |
| 807 | S | A | 0.7861 | |
| 808 | S | A | 0.7391 | |
| 809 | Y | A | 1.2893 | |
| 810 | H | A | 0.6081 | |
| 811 | V | A | 1.3378 | |
| 812 | S | A | 0.4204 | |
| 813 | V | A | 0.4682 | |
| 814 | E | A | -1.3926 | |
| 815 | H | A | -1.2523 | |
| 816 | Q | A | -1.1382 | |
| 817 | A | A | -0.7250 | |
| 818 | A | A | -0.5951 | |
| 819 | S | A | -0.4249 | |
| 820 | L | A | 0.1014 | |
| 821 | K | A | -0.9858 | |
| 822 | V | A | 0.5741 | |
| 823 | A | A | -0.4338 | |
| 824 | K | A | -1.6825 | |
| 825 | A | A | -0.7765 | |
| 826 | Q | A | -1.4552 | |
| 827 | Q | A | -1.4320 | |
| 828 | L | A | 0.2275 | |
| 829 | A | A | -0.3348 | |
| 830 | A | A | -0.4279 | |
| 831 | Q | A | -0.2370 | |
| 832 | L | A | 0.6880 | |
| 833 | P | A | 0.1097 | |
| 834 | A | A | 0.3394 | |
| 835 | M | A | 0.9300 | |
| 836 | C | A | 0.3374 | |
| 837 | R | A | -1.0348 | |
| 838 | L | A | -0.1959 | |
| 839 | E | A | -1.9564 | |
| 840 | G | A | -1.8819 | |
| 841 | G | A | -1.7855 | |
| 842 | D | A | -1.8662 | |
| 843 | A | A | -0.4947 | |
| 844 | L | A | 0.9514 | |
| 845 | S | A | 0.0703 | |
| 846 | A | A | -0.0860 | |
| 847 | S | A | -0.6185 | |
| 848 | Q | A | -1.3129 |
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 | 0.1878 | 6.5037 | View | CSV | PDB |
| 4.5 | 0.1691 | 6.5037 | View | CSV | PDB |
| 5.0 | 0.1437 | 6.5037 | View | CSV | PDB |
| 5.5 | 0.1168 | 6.5037 | View | CSV | PDB |
| 6.0 | 0.0944 | 6.5037 | View | CSV | PDB |
| 6.5 | 0.0809 | 6.5037 | View | CSV | PDB |
| 7.0 | 0.0768 | 6.5037 | View | CSV | PDB |
| 7.5 | 0.0795 | 6.5037 | View | CSV | PDB |
| 8.0 | 0.0855 | 6.5037 | View | CSV | PDB |
| 8.5 | 0.0932 | 6.5037 | View | CSV | PDB |
| 9.0 | 0.1015 | 6.5037 | 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