| Chain sequence(s) |
A: MKRDHHHHHHQDKKTMMMNEEDDGNGMDELLAVLGYKVRSSEMADVAQKLEQLEVMMSNVQEDDLSQLATETVHYNPAELYTWLDSMLTDLNPPSSNAEYDLKAIPGDAILNQFAIDSASSSNQGGGGDTYTTNKRLKCSNGVVETTTATAESTRHVVLVDSQENGVRLVHALLACAEAVQKENLTVAEALVKQIGFLAVSQIGAMRKVATYFAEALARRIYRLSPSQSPIDHSLSDTLQMHFYETCPYLKFAHFTANQAILEAFQGKKRVHVIDFSMSQGLQWPALMQALALRPGGPPVFRLTGIGPPAPDNFDYLHEVGCKLAHLAEAIHVEFEYRGFVANTLADLDASMLELRPSEIESVAVNSVFELHKLLGRPGAIDKVLGVVNQIKPEIFTVVEQESNHNSPIFLDRFTESLHYYSTLFDSLEGVPSGQDKVMSEVYLGKQICNVVACDGPDRVERHETLSQWRNRFGSAGFAAAHIGSNAFKQASMLLALFNGGEGYRVEESDGCLMLGWHTRPLIATSAWKLSTN
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] (00:00:01)
[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-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 (00:05:34)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/13bf5827f378a89/tmp/folded.pdb (00:05:34)
[INFO] Main: Simulation completed successfully. (00:07:52)
|
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 | -0.5337 | |
| 2 | K | A | -2.4303 | |
| 3 | R | A | -3.6806 | |
| 4 | D | A | -3.7731 | |
| 5 | H | A | -2.9983 | |
| 6 | H | A | -2.7906 | |
| 7 | H | A | -2.3949 | |
| 8 | H | A | -2.4284 | |
| 9 | H | A | -2.4607 | |
| 10 | H | A | -2.8769 | |
| 11 | Q | A | -3.4973 | |
| 12 | D | A | -3.8943 | |
| 13 | K | A | -3.7323 | |
| 14 | K | A | -2.7444 | |
| 15 | T | A | -0.6151 | |
| 16 | M | A | 0.9862 | |
| 17 | M | A | 1.2416 | |
| 18 | M | A | 0.4356 | |
| 19 | N | A | -2.0326 | |
| 20 | E | A | -3.7416 | |
| 21 | E | A | -4.3801 | |
| 22 | D | A | -4.7340 | |
| 23 | D | A | -4.0374 | |
| 24 | G | A | -3.0810 | |
| 25 | N | A | -2.9070 | |
| 26 | G | A | -2.3825 | |
| 27 | M | A | -1.6853 | |
| 28 | D | A | -1.1947 | |
| 29 | E | A | -0.9907 | |
| 30 | L | A | 1.6208 | |
| 31 | L | A | 1.0153 | |
| 32 | A | A | 0.7162 | |
| 33 | V | A | 2.3341 | |
| 34 | L | A | 2.2932 | |
| 35 | G | A | 0.6277 | |
| 36 | Y | A | -0.0809 | |
| 37 | K | A | -1.8663 | |
| 38 | V | A | 0.0000 | |
| 39 | R | A | -1.8931 | |
| 40 | S | A | -1.4395 | |
| 41 | S | A | -1.0106 | |
| 42 | E | A | -1.3508 | |
| 43 | M | A | -0.7935 | |
| 44 | A | A | -0.9888 | |
| 45 | D | A | -2.0401 | |
| 46 | V | A | 0.0000 | |
| 47 | A | A | -1.3176 | |
| 48 | Q | A | -2.5623 | |
| 49 | K | A | -1.7479 | |
| 50 | L | A | -1.3737 | |
| 51 | E | A | -2.5047 | |
| 52 | Q | A | -1.4028 | |
| 53 | L | A | -1.0413 | |
| 54 | E | A | -1.7708 | |
| 55 | V | A | 0.1876 | |
| 56 | M | A | -0.0133 | |
| 57 | M | A | -0.6803 | |
| 58 | S | A | -0.8341 | |
| 59 | N | A | -1.3519 | |
| 60 | V | A | -1.3676 | |
| 61 | Q | A | -2.9620 | |
| 62 | E | A | -3.4736 | |
| 63 | D | A | -3.5124 | |
| 64 | D | A | -2.7172 | |
| 65 | L | A | -1.6311 | |
| 66 | S | A | -1.9470 | |
| 67 | Q | A | -2.0626 | |
| 68 | L | A | -0.8309 | |
| 69 | A | A | -0.6084 | |
| 70 | T | A | -0.6414 | |
| 71 | E | A | -1.8417 | |
| 72 | T | A | -0.4236 | |
| 73 | V | A | 0.9070 | |
| 74 | H | A | 0.1492 | |
| 75 | Y | A | 0.4289 | |
| 76 | N | A | -0.9268 | |
| 77 | P | A | -0.9443 | |
| 78 | A | A | -0.7895 | |
| 79 | E | A | -1.3127 | |
| 80 | L | A | -0.5339 | |
| 81 | Y | A | -0.4641 | |
| 82 | T | A | -0.4398 | |
| 83 | W | A | -0.1274 | |
| 84 | L | A | 0.0000 | |
| 85 | D | A | -1.1085 | |
| 86 | S | A | -0.3351 | |
| 87 | M | A | -0.3047 | |
| 88 | L | A | -0.7263 | |
| 89 | T | A | -1.2701 | |
| 90 | D | A | -1.7237 | |
| 91 | L | A | -0.7703 | |
| 92 | N | A | -1.7262 | |
| 93 | P | A | -1.3813 | |
| 94 | P | A | -1.0984 | |
| 95 | S | A | -0.9364 | |
| 96 | S | A | -1.2202 | |
| 97 | N | A | -1.8597 | |
| 98 | A | A | -1.6319 | |
| 99 | E | A | -2.3704 | |
| 100 | Y | A | -1.6587 | |
| 101 | D | A | -2.3775 | |
| 102 | L | A | -1.1556 | |
| 103 | K | A | -1.7467 | |
| 104 | A | A | -0.9190 | |
| 105 | I | A | -0.4858 | |
| 106 | P | A | -0.2664 | |
| 107 | G | A | -0.9914 | |
| 108 | D | A | -1.4450 | |
| 109 | A | A | 0.0205 | |
| 110 | I | A | 0.4071 | |
| 111 | L | A | 0.9982 | |
| 112 | N | A | -0.6255 | |
| 113 | Q | A | -0.0659 | |
| 114 | F | A | 1.6241 | |
| 115 | A | A | 0.9004 | |
| 116 | I | A | 1.5782 | |
| 117 | D | A | -0.6109 | |
| 118 | S | A | -0.5962 | |
| 119 | A | A | -0.5651 | |
| 120 | S | A | -0.6506 | |
| 121 | S | A | -0.7269 | |
| 122 | S | A | -1.3342 | |
| 123 | N | A | -2.1261 | |
| 124 | Q | A | -2.2387 | |
| 125 | G | A | -1.7750 | |
| 126 | G | A | -1.2904 | |
| 127 | G | A | -1.4282 | |
| 128 | G | A | -1.5539 | |
| 129 | D | A | -1.8604 | |
| 130 | T | A | -0.4457 | |
| 131 | Y | A | 0.7688 | |
| 132 | T | A | -0.1593 | |
| 133 | T | A | -1.0606 | |
| 134 | N | A | -2.4097 | |
| 135 | K | A | -3.0563 | |
| 136 | R | A | -2.5917 | |
| 137 | L | A | -0.5659 | |
| 138 | K | A | -1.4469 | |
| 139 | C | A | -0.3155 | |
| 140 | S | A | -0.6608 | |
| 141 | N | A | -0.9565 | |
| 142 | G | A | 0.0330 | |
| 143 | V | A | 1.5898 | |
| 144 | V | A | 1.4804 | |
| 145 | E | A | -0.6193 | |
| 146 | T | A | -0.4158 | |
| 147 | T | A | -0.4161 | |
| 148 | T | A | -0.3003 | |
| 149 | A | A | -0.2835 | |
| 150 | T | A | -0.5907 | |
| 151 | A | A | -0.9249 | |
| 152 | E | A | -2.1990 | |
| 153 | S | A | -1.8103 | |
| 154 | T | A | -1.6382 | |
| 155 | R | A | -1.9067 | |
| 156 | H | A | -0.2626 | |
| 157 | V | A | 2.3432 | |
| 158 | V | A | 3.1314 | |
| 159 | L | A | 2.9726 | |
| 160 | V | A | 2.0645 | |
| 161 | D | A | -1.1034 | |
| 162 | S | A | -0.9861 | |
| 163 | Q | A | -2.1408 | |
| 164 | E | A | -2.5307 | |
| 165 | N | A | 0.0000 | |
| 166 | G | A | -0.9661 | |
| 167 | V | A | -0.4002 | |
| 168 | R | A | -1.4905 | |
| 169 | L | A | 0.0000 | |
| 170 | V | A | 0.4749 | |
| 171 | H | A | -0.5825 | |
| 172 | A | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | L | A | -0.0358 | |
| 175 | A | A | -0.1548 | |
| 176 | C | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | E | A | -1.9127 | |
| 179 | A | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | Q | A | -2.2292 | |
| 182 | K | A | -3.3305 | |
| 183 | E | A | -3.1545 | |
| 184 | N | A | -2.1189 | |
| 185 | L | A | -0.7779 | |
| 186 | T | A | -0.1039 | |
| 187 | V | A | 0.3802 | |
| 188 | A | A | 0.0000 | |
| 189 | E | A | -0.6503 | |
| 190 | A | A | -0.3930 | |
| 191 | L | A | -0.3955 | |
| 192 | V | A | 0.0000 | |
| 193 | K | A | -1.3596 | |
| 194 | Q | A | -0.8211 | |
| 195 | I | A | 0.0000 | |
| 196 | G | A | 0.2597 | |
| 197 | F | A | 1.8773 | |
| 198 | L | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | V | A | 2.4517 | |
| 201 | S | A | 1.4998 | |
| 202 | Q | A | 0.0000 | |
| 203 | I | A | 1.9878 | |
| 204 | G | A | 0.0830 | |
| 205 | A | A | 0.0000 | |
| 206 | M | A | 0.3861 | |
| 207 | R | A | 0.2626 | |
| 208 | K | A | -0.1211 | |
| 209 | V | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | T | A | -0.1939 | |
| 212 | Y | A | -0.5404 | |
| 213 | F | A | 0.0000 | |
| 214 | A | A | -1.1200 | |
| 215 | E | A | -1.6897 | |
| 216 | A | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | A | A | -1.0863 | |
| 219 | R | A | -1.0909 | |
| 220 | R | A | -1.0596 | |
| 221 | I | A | 0.0000 | |
| 222 | Y | A | -0.0786 | |
| 223 | R | A | -1.1764 | |
| 224 | L | A | 0.2399 | |
| 225 | S | A | -0.7063 | |
| 226 | P | A | -0.9018 | |
| 227 | S | A | -0.6125 | |
| 228 | Q | A | -1.4762 | |
| 229 | S | A | -0.4724 | |
| 230 | P | A | -0.2422 | |
| 231 | I | A | 1.1386 | |
| 232 | D | A | -0.1953 | |
| 233 | H | A | -0.6110 | |
| 234 | S | A | -0.2297 | |
| 235 | L | A | 0.2934 | |
| 236 | S | A | -0.3376 | |
| 237 | D | A | -1.3282 | |
| 238 | T | A | -0.6097 | |
| 239 | L | A | 0.0000 | |
| 240 | Q | A | -0.8188 | |
| 241 | M | A | -0.8787 | |
| 242 | H | A | -1.1813 | |
| 243 | F | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | E | A | -2.0801 | |
| 246 | T | A | 0.0000 | |
| 247 | C | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | Y | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | K | A | 0.0000 | |
| 252 | F | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | H | A | -0.0884 | |
| 255 | F | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | N | A | 0.0000 | |
| 259 | Q | A | -0.3409 | |
| 260 | A | A | -0.3977 | |
| 261 | I | A | 0.0000 | |
| 262 | L | A | -0.4400 | |
| 263 | E | A | -1.0239 | |
| 264 | A | A | -0.8611 | |
| 265 | F | A | 0.0000 | |
| 266 | Q | A | -1.9676 | |
| 267 | G | A | -1.9565 | |
| 268 | K | A | -1.9071 | |
| 269 | K | A | -2.3133 | |
| 270 | R | A | -1.5634 | |
| 271 | V | A | 0.0000 | |
| 272 | H | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | D | A | 0.0000 | |
| 276 | F | A | 0.0000 | |
| 277 | S | A | -0.2742 | |
| 278 | M | A | 0.0000 | |
| 279 | S | A | -0.7191 | |
| 280 | Q | A | -1.3538 | |
| 281 | G | A | 0.0000 | |
| 282 | L | A | -0.0081 | |
| 283 | Q | A | 0.0000 | |
| 284 | W | A | 0.0000 | |
| 285 | P | A | 0.0000 | |
| 286 | A | A | 0.2615 | |
| 287 | L | A | 0.0000 | |
| 288 | M | A | 0.0000 | |
| 289 | Q | A | 0.0000 | |
| 290 | A | A | 0.4425 | |
| 291 | L | A | 0.0000 | |
| 292 | A | A | -0.0713 | |
| 293 | L | A | 0.6845 | |
| 294 | R | A | -0.2735 | |
| 295 | P | A | -0.6246 | |
| 296 | G | A | -0.8632 | |
| 297 | G | A | -0.6988 | |
| 298 | P | A | -1.0306 | |
| 299 | P | A | 0.0000 | |
| 300 | V | A | -1.1534 | |
| 301 | F | A | 0.0000 | |
| 302 | R | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | G | A | 0.0000 | |
| 306 | I | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | P | A | -0.2442 | |
| 309 | P | A | -0.6650 | |
| 310 | A | A | -0.7987 | |
| 311 | P | A | -1.0861 | |
| 312 | D | A | -1.9619 | |
| 313 | N | A | -1.8004 | |
| 314 | F | A | -0.6171 | |
| 315 | D | A | -1.5217 | |
| 316 | Y | A | -0.9541 | |
| 317 | L | A | 0.0000 | |
| 318 | H | A | -2.0183 | |
| 319 | E | A | -2.2332 | |
| 320 | V | A | 0.0000 | |
| 321 | G | A | 0.0000 | |
| 322 | C | A | -1.2111 | |
| 323 | K | A | -2.2416 | |
| 324 | L | A | 0.0000 | |
| 325 | A | A | -1.6346 | |
| 326 | H | A | -1.9661 | |
| 327 | L | A | -1.2286 | |
| 328 | A | A | 0.0000 | |
| 329 | E | A | -2.6917 | |
| 330 | A | A | -0.9849 | |
| 331 | I | A | -0.8597 | |
| 332 | H | A | -2.0689 | |
| 333 | V | A | 0.0000 | |
| 334 | E | A | -2.4244 | |
| 335 | F | A | -1.4849 | |
| 336 | E | A | -1.1113 | |
| 337 | Y | A | -0.5530 | |
| 338 | R | A | -1.0214 | |
| 339 | G | A | -0.5607 | |
| 340 | F | A | 0.6990 | |
| 341 | V | A | 1.2044 | |
| 342 | A | A | -0.2116 | |
| 343 | N | A | -1.3429 | |
| 344 | T | A | -1.1334 | |
| 345 | L | A | 0.0000 | |
| 346 | A | A | -2.1257 | |
| 347 | D | A | -2.5302 | |
| 348 | L | A | 0.0000 | |
| 349 | D | A | -2.1173 | |
| 350 | A | A | 0.0000 | |
| 351 | S | A | -0.9643 | |
| 352 | M | A | -0.4949 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.7013 | |
| 355 | L | A | -0.9493 | |
| 356 | R | A | -0.8595 | |
| 357 | P | A | -0.8906 | |
| 358 | S | A | -1.3073 | |
| 359 | E | A | -1.6287 | |
| 360 | I | A | -0.5233 | |
| 361 | E | A | 0.0000 | |
| 362 | S | A | 0.0000 | |
| 363 | V | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | N | A | 0.0000 | |
| 367 | S | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | F | A | -0.1543 | |
| 370 | E | A | -0.5382 | |
| 371 | L | A | 0.0000 | |
| 372 | H | A | 0.0000 | |
| 373 | K | A | -0.9114 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | -0.7950 | |
| 376 | G | A | -1.6129 | |
| 377 | R | A | -2.2212 | |
| 378 | P | A | -1.7646 | |
| 379 | G | A | -1.9758 | |
| 380 | A | A | 0.0000 | |
| 381 | I | A | 0.0000 | |
| 382 | D | A | -2.7829 | |
| 383 | K | A | -2.8901 | |
| 384 | V | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | G | A | -2.2659 | |
| 387 | V | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | N | A | -2.3180 | |
| 390 | Q | A | -2.3838 | |
| 391 | I | A | 0.0000 | |
| 392 | K | A | -2.6188 | |
| 393 | P | A | 0.0000 | |
| 394 | E | A | -1.3603 | |
| 395 | I | A | 0.0000 | |
| 396 | F | A | 0.0000 | |
| 397 | T | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | E | A | 0.0000 | |
| 401 | Q | A | 0.0000 | |
| 402 | E | A | -0.4846 | |
| 403 | S | A | 0.0000 | |
| 404 | N | A | -1.3264 | |
| 405 | H | A | 0.0000 | |
| 406 | N | A | -0.5782 | |
| 407 | S | A | -0.3709 | |
| 408 | P | A | -0.0277 | |
| 409 | I | A | 0.8050 | |
| 410 | F | A | 0.0000 | |
| 411 | L | A | -0.7244 | |
| 412 | D | A | -1.5504 | |
| 413 | R | A | 0.0000 | |
| 414 | F | A | 0.0000 | |
| 415 | T | A | -0.9695 | |
| 416 | E | A | -1.3648 | |
| 417 | S | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | H | A | -1.1890 | |
| 420 | Y | A | 0.0000 | |
| 421 | Y | A | 0.0000 | |
| 422 | S | A | -0.7100 | |
| 423 | T | A | -0.8574 | |
| 424 | L | A | 0.0000 | |
| 425 | F | A | 0.0000 | |
| 426 | D | A | -1.7283 | |
| 427 | S | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | E | A | -2.4044 | |
| 430 | G | A | -1.9281 | |
| 431 | V | A | -1.2492 | |
| 432 | P | A | -1.0309 | |
| 433 | S | A | -0.9297 | |
| 434 | G | A | -1.0125 | |
| 435 | Q | A | -1.2129 | |
| 436 | D | A | -1.6860 | |
| 437 | K | A | -0.9046 | |
| 438 | V | A | 0.5936 | |
| 439 | M | A | 0.2466 | |
| 440 | S | A | 0.0000 | |
| 441 | E | A | 0.0000 | |
| 442 | V | A | 0.7304 | |
| 443 | Y | A | 0.3587 | |
| 444 | L | A | 0.0000 | |
| 445 | G | A | 0.0000 | |
| 446 | K | A | -0.4045 | |
| 447 | Q | A | 0.0000 | |
| 448 | I | A | 0.0000 | |
| 449 | C | A | 0.0000 | |
| 450 | N | A | -0.6553 | |
| 451 | V | A | 0.0000 | |
| 452 | V | A | 0.0000 | |
| 453 | A | A | -1.0079 | |
| 454 | C | A | 0.0000 | |
| 455 | D | A | -1.8523 | |
| 456 | G | A | -1.6012 | |
| 457 | P | A | -1.6166 | |
| 458 | D | A | -1.7087 | |
| 459 | R | A | 0.0000 | |
| 460 | V | A | -0.6766 | |
| 461 | E | A | 0.0000 | |
| 462 | R | A | -0.4130 | |
| 463 | H | A | 0.0000 | |
| 464 | E | A | 0.0000 | |
| 465 | T | A | -0.6396 | |
| 466 | L | A | 0.0000 | |
| 467 | S | A | -1.1851 | |
| 468 | Q | A | -1.4202 | |
| 469 | W | A | 0.0000 | |
| 470 | R | A | -1.5669 | |
| 471 | N | A | -2.1746 | |
| 472 | R | A | -2.0063 | |
| 473 | F | A | 0.0000 | |
| 474 | G | A | -1.3846 | |
| 475 | S | A | -1.3165 | |
| 476 | A | A | -1.4036 | |
| 477 | G | A | -0.9778 | |
| 478 | F | A | 0.0000 | |
| 479 | A | A | -0.6063 | |
| 480 | A | A | -0.8225 | |
| 481 | A | A | -0.8797 | |
| 482 | H | A | -1.5320 | |
| 483 | I | A | 0.0000 | |
| 484 | G | A | -1.0642 | |
| 485 | S | A | -1.2114 | |
| 486 | N | A | -1.4791 | |
| 487 | A | A | 0.0000 | |
| 488 | F | A | -1.0831 | |
| 489 | K | A | -1.7088 | |
| 490 | Q | A | -1.0049 | |
| 491 | A | A | 0.0000 | |
| 492 | S | A | -0.6226 | |
| 493 | M | A | 0.4440 | |
| 494 | L | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | A | A | 0.1255 | |
| 497 | L | A | 1.3528 | |
| 498 | F | A | 0.0482 | |
| 499 | N | A | -1.4623 | |
| 500 | G | A | -1.0376 | |
| 501 | G | A | -1.3795 | |
| 502 | E | A | -2.7089 | |
| 503 | G | A | 0.0000 | |
| 504 | Y | A | 0.0000 | |
| 505 | R | A | -2.7686 | |
| 506 | V | A | -2.1025 | |
| 507 | E | A | -2.8650 | |
| 508 | E | A | -2.8353 | |
| 509 | S | A | -2.2366 | |
| 510 | D | A | -2.3902 | |
| 511 | G | A | -1.9642 | |
| 512 | C | A | 0.0000 | |
| 513 | L | A | 0.0000 | |
| 514 | M | A | 0.0000 | |
| 515 | L | A | 0.0000 | |
| 516 | G | A | 0.0000 | |
| 517 | W | A | -1.3744 | |
| 518 | H | A | -1.8772 | |
| 519 | T | A | -1.0348 | |
| 520 | R | A | -1.1246 | |
| 521 | P | A | -1.0256 | |
| 522 | L | A | 0.0000 | |
| 523 | I | A | 0.0000 | |
| 524 | A | A | 0.0000 | |
| 525 | T | A | 0.0000 | |
| 526 | S | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | W | A | 0.0000 | |
| 529 | K | A | -1.3861 | |
| 530 | L | A | -1.2182 | |
| 531 | S | A | -0.8266 | |
| 532 | T | A | -0.8750 | |
| 533 | N | A | -1.3605 |
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 | -0.4691 | 5.0372 | View | CSV | PDB |
| 4.5 | -0.5515 | 4.9801 | View | CSV | PDB |
| 5.0 | -0.6503 | 4.9172 | View | CSV | PDB |
| 5.5 | -0.7484 | 4.8522 | View | CSV | PDB |
| 6.0 | -0.8303 | 4.7865 | View | CSV | PDB |
| 6.5 | -0.8876 | 4.7207 | View | CSV | PDB |
| 7.0 | -0.9221 | 4.6553 | View | CSV | PDB |
| 7.5 | -0.9414 | 4.5912 | View | CSV | PDB |
| 8.0 | -0.9508 | 4.5309 | View | CSV | PDB |
| 8.5 | -0.9502 | 4.4799 | View | CSV | PDB |
| 9.0 | -0.9368 | 4.4454 | 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