| Chain sequence(s) |
A: MSPRPHAFALLLLLAAVPGLRAAETLDESGGGLVSPGGSLTLVCKGSGFTFSSNEMYWVRQAPGKGLEWVAGITTGGYTGYAPAVKGRFTISRNNGQSTLTLQMNSLKAEDTATYYCAKITGYANCAGYGCAADIDLWGHGTEVTVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPATFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGSGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPEF
B: MSPRPHAFALLLLLAAVPGLRAAETLDESGGGLVSPGGSLTLVCKGSGFTFSSNEMYWVRQAPGKGLEWVAGITTGGYTGYAPAVKGRFTISRNNGQSTLTLQMNSLKAEDTATYYCAKITGYANCAGYGCAADIDLWGHGTEVTVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPATFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGSGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPEF input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:01)
[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 all 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 (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cdb5b123d896570/tmp/folded.pdb (00:05:04)
[INFO] Main: Simulation completed successfully. (00:08:00)
|
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 | 0.6432 | |
| 2 | S | A | -0.3498 | |
| 3 | P | A | -1.1841 | |
| 4 | R | A | -2.2690 | |
| 5 | P | A | -1.4458 | |
| 6 | H | A | -1.0552 | |
| 7 | A | A | 0.4366 | |
| 8 | F | A | 2.3575 | |
| 9 | A | A | 2.3258 | |
| 10 | L | A | 3.5852 | |
| 11 | L | A | 4.0369 | |
| 12 | L | A | 4.0159 | |
| 13 | L | A | 3.7831 | |
| 14 | L | A | 3.3643 | |
| 15 | A | A | 2.0867 | |
| 16 | A | A | 1.4787 | |
| 17 | V | A | 2.1052 | |
| 18 | P | A | 0.4970 | |
| 19 | G | A | 0.1817 | |
| 20 | L | A | 0.7151 | |
| 21 | R | A | -1.3730 | |
| 22 | A | A | -0.6915 | |
| 23 | A | A | -0.6622 | |
| 24 | E | A | -1.3033 | |
| 25 | T | A | -1.0617 | |
| 26 | L | A | 0.0000 | |
| 27 | D | A | -1.8496 | |
| 28 | E | A | 0.0000 | |
| 29 | S | A | -0.9559 | |
| 30 | G | A | -0.5234 | |
| 31 | G | A | -0.8302 | |
| 32 | G | A | -0.7498 | |
| 33 | L | A | -0.1955 | |
| 34 | V | A | -0.2234 | |
| 35 | S | A | -0.6311 | |
| 36 | P | A | -1.2176 | |
| 37 | G | A | -1.1303 | |
| 38 | G | A | -0.7873 | |
| 39 | S | A | -0.7027 | |
| 40 | L | A | -0.1980 | |
| 41 | T | A | -0.1841 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0046 | |
| 44 | C | A | 0.0000 | |
| 45 | K | A | -1.5098 | |
| 46 | G | A | 0.0000 | |
| 47 | S | A | -0.9175 | |
| 48 | G | A | -0.8361 | |
| 49 | F | A | -0.4401 | |
| 50 | T | A | -0.3011 | |
| 51 | F | A | 0.0000 | |
| 52 | S | A | -0.9172 | |
| 53 | S | A | -0.3049 | |
| 54 | N | A | -0.2710 | |
| 55 | E | A | 0.0000 | |
| 56 | M | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | V | A | 0.0000 | |
| 60 | R | A | 0.0000 | |
| 61 | Q | A | -1.1011 | |
| 62 | A | A | -1.5653 | |
| 63 | P | A | -1.2738 | |
| 64 | G | A | -1.7166 | |
| 65 | K | A | -2.3681 | |
| 66 | G | A | -1.6029 | |
| 67 | L | A | 0.0000 | |
| 68 | E | A | -1.1959 | |
| 69 | W | A | 0.0000 | |
| 70 | V | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | T | A | 0.0000 | |
| 75 | T | A | -0.2158 | |
| 76 | G | A | -0.2126 | |
| 77 | G | A | -0.0891 | |
| 78 | Y | A | 0.9791 | |
| 79 | T | A | 0.4796 | |
| 80 | G | A | 0.0000 | |
| 81 | Y | A | -0.6936 | |
| 82 | A | A | 0.0000 | |
| 83 | P | A | -0.9937 | |
| 84 | A | A | -0.8833 | |
| 85 | V | A | 0.0000 | |
| 86 | K | A | -2.0266 | |
| 87 | G | A | -1.5207 | |
| 88 | R | A | -1.3133 | |
| 89 | F | A | 0.0000 | |
| 90 | T | A | -0.6650 | |
| 91 | I | A | 0.0000 | |
| 92 | S | A | -0.4061 | |
| 93 | R | A | -1.1869 | |
| 94 | N | A | -2.1726 | |
| 95 | N | A | -1.9654 | |
| 96 | G | A | -1.7586 | |
| 97 | Q | A | -2.1736 | |
| 98 | S | A | -1.6145 | |
| 99 | T | A | -1.4416 | |
| 100 | L | A | 0.0000 | |
| 101 | T | A | -0.2652 | |
| 102 | L | A | 0.0000 | |
| 103 | Q | A | -0.4338 | |
| 104 | M | A | 0.0000 | |
| 105 | N | A | -1.1322 | |
| 106 | S | A | -1.0984 | |
| 107 | L | A | 0.0000 | |
| 108 | K | A | -2.0617 | |
| 109 | A | A | -1.4043 | |
| 110 | E | A | -2.1335 | |
| 111 | D | A | 0.0000 | |
| 112 | T | A | -0.9795 | |
| 113 | A | A | 0.0000 | |
| 114 | T | A | -0.9148 | |
| 115 | Y | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | C | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | K | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | T | A | -0.1963 | |
| 122 | G | A | 0.0170 | |
| 123 | Y | A | 0.0606 | |
| 124 | A | A | -0.2175 | |
| 125 | N | A | -1.1048 | |
| 126 | C | A | 0.0000 | |
| 127 | A | A | -0.3705 | |
| 128 | G | A | -0.1034 | |
| 129 | Y | A | 0.8947 | |
| 130 | G | A | 0.2901 | |
| 131 | C | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | D | A | -0.4505 | |
| 135 | I | A | 0.0000 | |
| 136 | D | A | -1.2866 | |
| 137 | L | A | -0.6948 | |
| 138 | W | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | H | A | -1.8671 | |
| 141 | G | A | -1.4502 | |
| 142 | T | A | 0.0000 | |
| 143 | E | A | -1.7683 | |
| 144 | V | A | 0.0000 | |
| 145 | T | A | -0.6308 | |
| 146 | V | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | S | A | -0.4868 | |
| 149 | G | A | -0.3521 | |
| 150 | S | A | -0.4456 | |
| 151 | P | A | -0.4124 | |
| 152 | T | A | -0.3397 | |
| 153 | A | A | -0.6807 | |
| 154 | P | A | 0.0000 | |
| 155 | S | A | -0.0291 | |
| 156 | V | A | 0.2284 | |
| 157 | F | A | 0.0131 | |
| 158 | P | A | -0.0805 | |
| 159 | I | A | 0.0000 | |
| 160 | S | A | -0.1035 | |
| 161 | S | A | -0.2560 | |
| 162 | C | A | 0.0000 | |
| 163 | C | A | 0.0000 | |
| 164 | G | A | -1.0528 | |
| 165 | S | A | -0.8509 | |
| 166 | T | A | -0.9925 | |
| 167 | Q | A | -1.0797 | |
| 168 | Q | A | -1.4732 | |
| 169 | Q | A | -1.1481 | |
| 170 | P | A | -0.8666 | |
| 171 | V | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | C | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | G | A | -0.4624 | |
| 179 | Y | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | P | A | 0.0000 | |
| 182 | G | A | -0.8151 | |
| 183 | P | A | -0.8373 | |
| 184 | A | A | 0.0000 | |
| 185 | T | A | -0.5728 | |
| 186 | F | A | -0.1336 | |
| 187 | S | A | -0.2580 | |
| 188 | W | A | -0.2374 | |
| 189 | S | A | -0.4501 | |
| 190 | G | A | -0.6402 | |
| 191 | A | A | -0.6641 | |
| 192 | S | A | -0.6215 | |
| 193 | G | A | -0.7156 | |
| 194 | A | A | -0.6597 | |
| 195 | T | A | -0.3680 | |
| 196 | S | A | -0.2887 | |
| 197 | V | A | 0.0000 | |
| 198 | T | A | -0.2727 | |
| 199 | V | A | 0.0000 | |
| 200 | P | A | -0.6302 | |
| 201 | E | A | -0.9740 | |
| 202 | T | A | -0.9358 | |
| 203 | H | A | -1.3041 | |
| 204 | G | A | -0.8242 | |
| 205 | V | A | -0.0038 | |
| 206 | G | A | -0.3711 | |
| 207 | P | A | -0.6239 | |
| 208 | H | A | 0.0000 | |
| 209 | K | A | -0.8200 | |
| 210 | R | A | -0.5372 | |
| 211 | A | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | R | A | -0.5671 | |
| 216 | P | A | 0.0000 | |
| 217 | P | A | -0.9706 | |
| 218 | H | A | -1.3478 | |
| 219 | A | A | -0.8910 | |
| 220 | G | A | -0.8685 | |
| 221 | S | A | -1.0402 | |
| 222 | G | A | -1.5084 | |
| 223 | D | A | -1.1227 | |
| 224 | F | A | -0.5139 | |
| 225 | F | A | 0.0000 | |
| 226 | T | A | -0.4041 | |
| 227 | C | A | 0.0000 | |
| 228 | S | A | -0.3065 | |
| 229 | V | A | 0.0000 | |
| 230 | N | A | -1.4637 | |
| 231 | H | A | 0.0000 | |
| 232 | Q | A | -2.2129 | |
| 233 | A | A | -1.2987 | |
| 234 | T | A | -1.4915 | |
| 235 | R | A | -2.5162 | |
| 236 | T | A | -1.4507 | |
| 237 | S | A | -0.9796 | |
| 238 | L | A | -0.0251 | |
| 239 | T | A | -0.2380 | |
| 240 | Q | A | -0.3194 | |
| 241 | N | A | -0.5120 | |
| 242 | V | A | 0.0000 | |
| 243 | E | A | -0.7289 | |
| 244 | G | A | 0.0000 | |
| 245 | C | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | G | A | 0.0000 | |
| 249 | G | A | -1.3328 | |
| 250 | E | A | -2.1906 | |
| 251 | P | A | -1.2381 | |
| 252 | T | A | -0.9917 | |
| 253 | P | A | -1.1729 | |
| 254 | P | A | 0.0000 | |
| 255 | E | A | -2.2878 | |
| 256 | V | A | 0.0000 | |
| 257 | Q | A | -1.6559 | |
| 258 | V | A | 0.0000 | |
| 259 | L | A | -0.0411 | |
| 260 | H | A | -0.8245 | |
| 261 | S | A | -0.5097 | |
| 262 | S | A | -0.0468 | |
| 263 | V | A | -0.0717 | |
| 264 | C | A | 0.9502 | |
| 265 | S | A | 0.4036 | |
| 266 | T | A | 0.2470 | |
| 267 | L | A | 0.6219 | |
| 268 | G | A | -1.1556 | |
| 269 | D | A | -2.6149 | |
| 270 | D | A | -3.1453 | |
| 271 | S | A | -2.6232 | |
| 272 | V | A | 0.0000 | |
| 273 | E | A | -1.8121 | |
| 274 | L | A | 0.0000 | |
| 275 | L | A | -0.2866 | |
| 276 | C | A | 0.0000 | |
| 277 | V | A | -0.1444 | |
| 278 | I | A | 0.0000 | |
| 279 | T | A | -0.9626 | |
| 280 | G | A | -0.8157 | |
| 281 | F | A | 0.0000 | |
| 282 | S | A | 0.0000 | |
| 283 | P | A | 0.0000 | |
| 284 | P | A | -0.8312 | |
| 285 | P | A | -0.9754 | |
| 286 | V | A | 0.0000 | |
| 287 | E | A | -2.1109 | |
| 288 | V | A | -1.3893 | |
| 289 | E | A | -1.6651 | |
| 290 | W | A | 0.0000 | |
| 291 | L | A | -1.0067 | |
| 292 | V | A | -1.2624 | |
| 293 | D | A | -2.2082 | |
| 294 | G | A | -1.4132 | |
| 295 | A | A | -0.8080 | |
| 296 | P | A | -0.9040 | |
| 297 | A | A | -0.5242 | |
| 298 | H | A | -0.4534 | |
| 299 | L | A | 0.3861 | |
| 300 | V | A | 1.4168 | |
| 301 | A | A | 0.4605 | |
| 302 | T | A | 0.0327 | |
| 303 | M | A | -0.1574 | |
| 304 | T | A | -1.0333 | |
| 305 | R | A | -2.2476 | |
| 306 | P | A | -1.7264 | |
| 307 | Q | A | -2.1332 | |
| 308 | R | A | -1.6854 | |
| 309 | E | A | -1.1119 | |
| 310 | A | A | -0.6887 | |
| 311 | G | A | -0.9236 | |
| 312 | S | A | -0.7229 | |
| 313 | K | A | -1.1744 | |
| 314 | T | A | -0.9485 | |
| 315 | Y | A | 0.0000 | |
| 316 | M | A | -0.8594 | |
| 317 | A | A | 0.0000 | |
| 318 | T | A | -0.3572 | |
| 319 | S | A | 0.0000 | |
| 320 | Q | A | -0.5760 | |
| 321 | T | A | 0.0000 | |
| 322 | N | A | -1.7005 | |
| 323 | V | A | 0.0000 | |
| 324 | S | A | -2.4268 | |
| 325 | R | A | -3.0070 | |
| 326 | E | A | -3.2933 | |
| 327 | D | A | -2.4622 | |
| 328 | W | A | 0.0000 | |
| 329 | K | A | -2.7213 | |
| 330 | A | A | -1.8909 | |
| 331 | G | A | -1.6827 | |
| 332 | K | A | -2.1637 | |
| 333 | A | A | -1.6829 | |
| 334 | F | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | C | A | 0.0000 | |
| 337 | R | A | -2.5286 | |
| 338 | V | A | 0.0000 | |
| 339 | K | A | -2.1634 | |
| 340 | H | A | 0.0000 | |
| 341 | P | A | -0.9594 | |
| 342 | A | A | -0.7888 | |
| 343 | T | A | -0.7903 | |
| 344 | G | A | -0.8345 | |
| 345 | G | A | -0.7429 | |
| 346 | T | A | -1.5391 | |
| 347 | A | A | -1.7292 | |
| 348 | Q | A | -2.5615 | |
| 349 | G | A | 0.0000 | |
| 350 | H | A | -1.7441 | |
| 351 | A | A | 0.0000 | |
| 352 | R | A | -1.8483 | |
| 353 | F | A | -0.7896 | |
| 354 | C | A | 0.0323 | |
| 355 | P | A | -0.5225 | |
| 356 | E | A | -0.7584 | |
| 357 | F | A | 1.0936 | |
| 1 | M | B | 0.6471 | |
| 2 | S | B | -0.3387 | |
| 3 | P | B | -1.1798 | |
| 4 | R | B | -2.2658 | |
| 5 | P | B | -1.4460 | |
| 6 | H | B | -1.0547 | |
| 7 | A | B | 0.4283 | |
| 8 | F | B | 2.3505 | |
| 9 | A | B | 2.3182 | |
| 10 | L | B | 3.5656 | |
| 11 | L | B | 4.0191 | |
| 12 | L | B | 3.9976 | |
| 13 | L | B | 3.7661 | |
| 14 | L | B | 3.3536 | |
| 15 | A | B | 2.0738 | |
| 16 | A | B | 1.4723 | |
| 17 | V | B | 2.1144 | |
| 18 | P | B | 0.4987 | |
| 19 | G | B | 0.1717 | |
| 20 | L | B | 0.7211 | |
| 21 | R | B | -1.4626 | |
| 22 | A | B | -0.8555 | |
| 23 | A | B | -0.9572 | |
| 24 | E | B | -1.9533 | |
| 25 | T | B | -1.2883 | |
| 26 | L | B | 0.0000 | |
| 27 | D | B | -1.5089 | |
| 28 | E | B | 0.0000 | |
| 29 | S | B | -0.8285 | |
| 30 | G | B | -0.5297 | |
| 31 | G | B | -0.7859 | |
| 32 | G | B | -0.6665 | |
| 33 | L | B | -0.1385 | |
| 34 | V | B | -0.1867 | |
| 35 | S | B | -0.5817 | |
| 36 | P | B | -1.1733 | |
| 37 | G | B | -1.1027 | |
| 38 | G | B | -0.7602 | |
| 39 | S | B | -0.6895 | |
| 40 | L | B | -0.1926 | |
| 41 | T | B | -0.2398 | |
| 42 | L | B | 0.0000 | |
| 43 | V | B | -0.1873 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -1.4074 | |
| 46 | G | B | -1.2508 | |
| 47 | S | B | -1.1417 | |
| 48 | G | B | -1.1268 | |
| 49 | F | B | -0.6210 | |
| 50 | T | B | -0.3916 | |
| 51 | F | B | 0.0000 | |
| 52 | S | B | -0.9255 | |
| 53 | S | B | -0.2562 | |
| 54 | N | B | 0.0000 | |
| 55 | E | B | 0.0000 | |
| 56 | M | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | 0.0000 | |
| 59 | V | B | 0.0000 | |
| 60 | R | B | 0.0000 | |
| 61 | Q | B | -1.1085 | |
| 62 | A | B | -1.5787 | |
| 63 | P | B | -1.3052 | |
| 64 | G | B | -1.7285 | |
| 65 | K | B | -2.3862 | |
| 66 | G | B | -1.6420 | |
| 67 | L | B | 0.0000 | |
| 68 | E | B | -1.1510 | |
| 69 | W | B | 0.0000 | |
| 70 | V | B | 0.0000 | |
| 71 | A | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | I | B | 0.0000 | |
| 74 | T | B | 0.0000 | |
| 75 | T | B | -0.1590 | |
| 76 | G | B | -0.1880 | |
| 77 | G | B | -0.0974 | |
| 78 | Y | B | 0.9623 | |
| 79 | T | B | 0.4655 | |
| 80 | G | B | -0.0206 | |
| 81 | Y | B | -0.6748 | |
| 82 | A | B | 0.0000 | |
| 83 | P | B | -0.9543 | |
| 84 | A | B | -0.8921 | |
| 85 | V | B | 0.0000 | |
| 86 | K | B | -2.0334 | |
| 87 | G | B | -1.5191 | |
| 88 | R | B | -1.3084 | |
| 89 | F | B | 0.0000 | |
| 90 | T | B | -0.6742 | |
| 91 | I | B | 0.0000 | |
| 92 | S | B | -0.4140 | |
| 93 | R | B | -1.1316 | |
| 94 | N | B | -1.9060 | |
| 95 | N | B | -1.8507 | |
| 96 | G | B | -1.6818 | |
| 97 | Q | B | -2.1036 | |
| 98 | S | B | -1.5714 | |
| 99 | T | B | -1.3927 | |
| 100 | L | B | 0.0000 | |
| 101 | T | B | -0.3360 | |
| 102 | L | B | 0.0000 | |
| 103 | Q | B | -0.4821 | |
| 104 | M | B | 0.0000 | |
| 105 | N | B | -1.1205 | |
| 106 | S | B | -1.0757 | |
| 107 | L | B | 0.0000 | |
| 108 | K | B | -1.9763 | |
| 109 | A | B | -1.3715 | |
| 110 | E | B | -2.1176 | |
| 111 | D | B | 0.0000 | |
| 112 | T | B | -0.9539 | |
| 113 | A | B | 0.0000 | |
| 114 | T | B | -0.8441 | |
| 115 | Y | B | 0.0000 | |
| 116 | Y | B | 0.0000 | |
| 117 | C | B | 0.0000 | |
| 118 | A | B | 0.0000 | |
| 119 | K | B | 0.0000 | |
| 120 | I | B | 0.0000 | |
| 121 | T | B | -0.1710 | |
| 122 | G | B | 0.2248 | |
| 123 | Y | B | 0.2911 | |
| 124 | A | B | -0.0229 | |
| 125 | N | B | -0.9846 | |
| 126 | C | B | 0.0000 | |
| 127 | A | B | -0.4799 | |
| 128 | G | B | -0.3882 | |
| 129 | Y | B | 0.3660 | |
| 130 | G | B | 0.1113 | |
| 131 | C | B | 0.0000 | |
| 132 | A | B | 0.0000 | |
| 133 | A | B | 0.0000 | |
| 134 | D | B | -0.5195 | |
| 135 | I | B | 0.0000 | |
| 136 | D | B | -1.7309 | |
| 137 | L | B | -0.9951 | |
| 138 | W | B | 0.0000 | |
| 139 | G | B | 0.0000 | |
| 140 | H | B | -1.7525 | |
| 141 | G | B | 0.0000 | |
| 142 | T | B | 0.0000 | |
| 143 | E | B | -1.6060 | |
| 144 | V | B | 0.0000 | |
| 145 | T | B | -0.5824 | |
| 146 | V | B | 0.0000 | |
| 147 | S | B | 0.0000 | |
| 148 | S | B | -0.3610 | |
| 149 | G | B | -0.3544 | |
| 150 | S | B | -0.4427 | |
| 151 | P | B | -0.3898 | |
| 152 | T | B | -0.3226 | |
| 153 | A | B | -0.6726 | |
| 154 | P | B | 0.0000 | |
| 155 | S | B | 0.0470 | |
| 156 | V | B | 0.2525 | |
| 157 | F | B | 0.0262 | |
| 158 | P | B | -0.1044 | |
| 159 | I | B | 0.0000 | |
| 160 | S | B | 0.0000 | |
| 161 | S | B | -0.2444 | |
| 162 | C | B | 0.0000 | |
| 163 | C | B | -0.5344 | |
| 164 | G | B | -1.0163 | |
| 165 | S | B | -0.8241 | |
| 166 | T | B | -0.9863 | |
| 167 | Q | B | -1.1242 | |
| 168 | Q | B | -1.5309 | |
| 169 | Q | B | -1.2513 | |
| 170 | P | B | -0.9095 | |
| 171 | V | B | 0.0000 | |
| 172 | V | B | 0.0000 | |
| 173 | G | B | 0.0000 | |
| 174 | C | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | A | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | G | B | -0.4386 | |
| 179 | Y | B | 0.0000 | |
| 180 | I | B | 0.0000 | |
| 181 | P | B | 0.0000 | |
| 182 | G | B | -0.7931 | |
| 183 | P | B | -0.8802 | |
| 184 | A | B | 0.0000 | |
| 185 | T | B | -0.7626 | |
| 186 | F | B | 0.0000 | |
| 187 | S | B | -0.3931 | |
| 188 | W | B | -0.3028 | |
| 189 | S | B | -0.4633 | |
| 190 | G | B | -0.6468 | |
| 191 | A | B | -0.6582 | |
| 192 | S | B | -0.6216 | |
| 193 | G | B | -0.7180 | |
| 194 | A | B | -0.6653 | |
| 195 | T | B | -0.3737 | |
| 196 | S | B | -0.3136 | |
| 197 | V | B | 0.0000 | |
| 198 | T | B | -0.3300 | |
| 199 | V | B | 0.0000 | |
| 200 | P | B | -0.6054 | |
| 201 | E | B | -0.9716 | |
| 202 | T | B | -0.9443 | |
| 203 | H | B | -1.3196 | |
| 204 | G | B | -0.8592 | |
| 205 | V | B | -0.0338 | |
| 206 | G | B | -0.3860 | |
| 207 | P | B | -0.6272 | |
| 208 | H | B | 0.0000 | |
| 209 | K | B | -0.8243 | |
| 210 | R | B | -0.5908 | |
| 211 | A | B | 0.0000 | |
| 212 | S | B | 0.0000 | |
| 213 | F | B | 0.0000 | |
| 214 | L | B | 0.0000 | |
| 215 | R | B | -0.6106 | |
| 216 | P | B | 0.0000 | |
| 217 | P | B | -0.9967 | |
| 218 | H | B | -1.3215 | |
| 219 | A | B | -0.8748 | |
| 220 | G | B | -0.8775 | |
| 221 | S | B | -1.1008 | |
| 222 | G | B | -1.4107 | |
| 223 | D | B | -0.8890 | |
| 224 | F | B | -0.4654 | |
| 225 | F | B | 0.0000 | |
| 226 | T | B | -0.4524 | |
| 227 | C | B | 0.0000 | |
| 228 | S | B | -0.4333 | |
| 229 | V | B | 0.0000 | |
| 230 | N | B | -1.6750 | |
| 231 | H | B | 0.0000 | |
| 232 | Q | B | -2.2507 | |
| 233 | A | B | -1.2995 | |
| 234 | T | B | -1.4952 | |
| 235 | R | B | -2.5366 | |
| 236 | T | B | -1.4839 | |
| 237 | S | B | -1.0587 | |
| 238 | L | B | -0.0635 | |
| 239 | T | B | -0.3130 | |
| 240 | Q | B | -0.3941 | |
| 241 | N | B | -0.6529 | |
| 242 | V | B | 0.0000 | |
| 243 | E | B | -0.7958 | |
| 244 | G | B | 0.0000 | |
| 245 | C | B | 0.0000 | |
| 246 | V | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | G | B | 0.0000 | |
| 249 | G | B | -1.2640 | |
| 250 | E | B | -2.1724 | |
| 251 | P | B | -1.2323 | |
| 252 | T | B | -1.0153 | |
| 253 | P | B | -1.1988 | |
| 254 | P | B | 0.0000 | |
| 255 | E | B | -2.2768 | |
| 256 | V | B | 0.0000 | |
| 257 | Q | B | -1.5795 | |
| 258 | V | B | 0.0000 | |
| 259 | L | B | 0.2686 | |
| 260 | H | B | -0.6288 | |
| 261 | S | B | -0.4082 | |
| 262 | S | B | -0.0166 | |
| 263 | V | B | -0.1146 | |
| 264 | C | B | 0.9426 | |
| 265 | S | B | 0.4476 | |
| 266 | T | B | 0.2619 | |
| 267 | L | B | 0.6212 | |
| 268 | G | B | -1.1384 | |
| 269 | D | B | -2.5995 | |
| 270 | D | B | -3.1446 | |
| 271 | S | B | -2.5938 | |
| 272 | V | B | 0.0000 | |
| 273 | E | B | -1.6008 | |
| 274 | L | B | 0.0000 | |
| 275 | L | B | -0.1386 | |
| 276 | C | B | 0.0000 | |
| 277 | V | B | -0.0616 | |
| 278 | I | B | 0.0000 | |
| 279 | T | B | -0.9833 | |
| 280 | G | B | -0.8199 | |
| 281 | F | B | 0.0000 | |
| 282 | S | B | 0.0000 | |
| 283 | P | B | 0.0000 | |
| 284 | P | B | -0.8771 | |
| 285 | P | B | -0.9597 | |
| 286 | V | B | 0.0000 | |
| 287 | E | B | -2.1405 | |
| 288 | V | B | -1.5870 | |
| 289 | E | B | -2.1773 | |
| 290 | W | B | 0.0000 | |
| 291 | L | B | 0.0000 | |
| 292 | V | B | -1.1787 | |
| 293 | D | B | -2.2322 | |
| 294 | G | B | -1.4411 | |
| 295 | A | B | -0.8493 | |
| 296 | P | B | -1.0500 | |
| 297 | A | B | -0.6554 | |
| 298 | H | B | -0.5424 | |
| 299 | L | B | 0.3246 | |
| 300 | V | B | 1.4553 | |
| 301 | A | B | 0.4412 | |
| 302 | T | B | 0.0810 | |
| 303 | M | B | -0.0959 | |
| 304 | T | B | -0.9705 | |
| 305 | R | B | -2.1348 | |
| 306 | P | B | -1.7506 | |
| 307 | Q | B | -2.3038 | |
| 308 | R | B | -2.0043 | |
| 309 | E | B | -1.2694 | |
| 310 | A | B | -0.7676 | |
| 311 | G | B | -0.9925 | |
| 312 | S | B | -0.9443 | |
| 313 | K | B | -1.1610 | |
| 314 | T | B | -0.9993 | |
| 315 | Y | B | 0.0000 | |
| 316 | M | B | -0.9208 | |
| 317 | A | B | 0.0000 | |
| 318 | T | B | -0.3214 | |
| 319 | S | B | 0.0000 | |
| 320 | Q | B | -0.4336 | |
| 321 | T | B | 0.0000 | |
| 322 | N | B | -1.5176 | |
| 323 | V | B | 0.0000 | |
| 324 | S | B | -2.3984 | |
| 325 | R | B | -3.0086 | |
| 326 | E | B | -3.3111 | |
| 327 | D | B | -2.5066 | |
| 328 | W | B | 0.0000 | |
| 329 | K | B | -2.7678 | |
| 330 | A | B | -1.9232 | |
| 331 | G | B | -1.7268 | |
| 332 | K | B | -2.1726 | |
| 333 | A | B | -1.7162 | |
| 334 | F | B | 0.0000 | |
| 335 | T | B | 0.0000 | |
| 336 | C | B | 0.0000 | |
| 337 | R | B | -2.6573 | |
| 338 | V | B | 0.0000 | |
| 339 | K | B | -2.4022 | |
| 340 | H | B | 0.0000 | |
| 341 | P | B | -0.9885 | |
| 342 | A | B | -0.9429 | |
| 343 | T | B | -0.8195 | |
| 344 | G | B | -0.8785 | |
| 345 | G | B | -0.8044 | |
| 346 | T | B | -1.5947 | |
| 347 | A | B | -1.7581 | |
| 348 | Q | B | -2.6059 | |
| 349 | G | B | 0.0000 | |
| 350 | H | B | -1.7062 | |
| 351 | A | B | 0.0000 | |
| 352 | R | B | -1.9123 | |
| 353 | F | B | -0.9057 | |
| 354 | C | B | -0.0140 | |
| 355 | P | B | -0.5436 | |
| 356 | E | B | -0.7657 | |
| 357 | F | B | 1.0917 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2347 | 5.3106 | View | CSV | PDB |
| 4.5 | -0.2701 | 5.3106 | View | CSV | PDB |
| 5.0 | -0.3139 | 5.3106 | View | CSV | PDB |
| 5.5 | -0.3575 | 5.3106 | View | CSV | PDB |
| 6.0 | -0.3915 | 5.3106 | View | CSV | PDB |
| 6.5 | -0.4098 | 5.3106 | View | CSV | PDB |
| 7.0 | -0.4134 | 5.3442 | View | CSV | PDB |
| 7.5 | -0.4095 | 5.3734 | View | CSV | PDB |
| 8.0 | -0.403 | 5.3847 | View | CSV | PDB |
| 8.5 | -0.3945 | 5.3885 | View | CSV | PDB |
| 9.0 | -0.3826 | 5.3897 | 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