| Chain sequence(s) |
A: MERAGPSFGQQRQQQQPQQQKQQQRDQDSVEAWLDDHWDFTFSYFVRKATREMVNAWFAERVHTIPVCKEGIRGHTESCSCPLQQSPRADNSAPGTPTRKISASEFDRPLRPIVVKDSEGTVSFLSDSEKKEQMPLTPPRFDHDEGDQCSRLLELVKDISSHLDVTALCHKIFLHIHGLISADRYSLFLVCEDSSNDKFLISRLFDVAEGSTLEEVSNNCIRLEWNKGIVGHVAALGEPLNIKDAYEDPRFNAEVDQITGYKTQSILCMPIKNHREEVVGVAQAINKKSGNGGTFTEKDEKDFAAYLAFCGIVLHNAQLYETSLLENKRNQVLLDLASLIFEEQQSLEVILKKIAATIISFMQVQKCTIFIVDEDCSDSFSSVFHMECEELEKSSDTLTREHDANKINYMYAQYVKNTMEPLNIPDVSKDKRFPWTTENTGNVNQQCIRSLLCTPIKNGKKNKVIGVCQLVNKMEENTGKVKPFNRNDEQFLEAFVIFCGLGIQNTQMYEAVERAMAKQMVTLEVLSYHASAAEEETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLVQNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQNKLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHPLAQLYCHSIMEHHHFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFFELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQGDRERKELNIEPTDLMNREKKNKIPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKNRQKWQALAEQQEKMLINGESGQAKRN
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:30:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/aade7c5478beafe/tmp/folded.pdb (00:30:14)
[INFO] Main: Simulation completed successfully. (00:45:03)
|
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 | -0.3253 | |
| 2 | E | A | -2.2404 | |
| 3 | R | A | -2.5533 | |
| 4 | A | A | -1.4903 | |
| 5 | G | A | -1.0310 | |
| 6 | P | A | -0.3412 | |
| 7 | S | A | 0.1936 | |
| 8 | F | A | 0.7683 | |
| 9 | G | A | -1.0708 | |
| 10 | Q | A | -2.4829 | |
| 11 | Q | A | -3.2101 | |
| 12 | R | A | -4.0348 | |
| 13 | Q | A | -4.0527 | |
| 14 | Q | A | -3.8071 | |
| 15 | Q | A | -3.9442 | |
| 16 | Q | A | -3.9361 | |
| 17 | P | A | -3.1685 | |
| 18 | Q | A | -3.8406 | |
| 19 | Q | A | -4.1598 | |
| 20 | Q | A | -4.2961 | |
| 21 | K | A | -4.3733 | |
| 22 | Q | A | -4.4519 | |
| 23 | Q | A | -4.5813 | |
| 24 | Q | A | -4.4748 | |
| 25 | R | A | -4.8037 | |
| 26 | D | A | -3.8830 | |
| 27 | Q | A | -3.3107 | |
| 28 | D | A | -3.4599 | |
| 29 | S | A | -2.1094 | |
| 30 | V | A | -0.9801 | |
| 31 | E | A | -2.6442 | |
| 32 | A | A | -1.7635 | |
| 33 | W | A | -0.7206 | |
| 34 | L | A | -0.8348 | |
| 35 | D | A | -2.2100 | |
| 36 | D | A | -2.3679 | |
| 37 | H | A | -1.0493 | |
| 38 | W | A | 0.0482 | |
| 39 | D | A | -0.4708 | |
| 40 | F | A | 1.4094 | |
| 41 | T | A | 0.0000 | |
| 42 | F | A | 2.3158 | |
| 43 | S | A | 1.4128 | |
| 44 | Y | A | 1.2345 | |
| 45 | F | A | 1.6327 | |
| 46 | V | A | 1.5966 | |
| 47 | R | A | -1.1144 | |
| 48 | K | A | -1.6054 | |
| 49 | A | A | -0.7102 | |
| 50 | T | A | -1.7200 | |
| 51 | R | A | -2.7755 | |
| 52 | E | A | -2.3785 | |
| 53 | M | A | -0.7656 | |
| 54 | V | A | -0.1059 | |
| 55 | N | A | -0.9831 | |
| 56 | A | A | -0.5962 | |
| 57 | W | A | 0.3130 | |
| 58 | F | A | 1.2084 | |
| 59 | A | A | -0.0208 | |
| 60 | E | A | -1.6910 | |
| 61 | R | A | -1.4082 | |
| 62 | V | A | 0.6770 | |
| 63 | H | A | -0.5345 | |
| 64 | T | A | 0.8274 | |
| 65 | I | A | 2.4101 | |
| 66 | P | A | 1.3755 | |
| 67 | V | A | 1.8367 | |
| 68 | C | A | 0.3484 | |
| 69 | K | A | -1.6541 | |
| 70 | E | A | -2.1610 | |
| 71 | G | A | -1.3326 | |
| 72 | I | A | -0.0034 | |
| 73 | R | A | -1.6513 | |
| 74 | G | A | -1.5430 | |
| 75 | H | A | -1.9014 | |
| 76 | T | A | -1.7320 | |
| 77 | E | A | -2.1002 | |
| 78 | S | A | -0.8466 | |
| 79 | C | A | 0.2124 | |
| 80 | S | A | 0.3593 | |
| 81 | C | A | 0.8718 | |
| 82 | P | A | 0.4287 | |
| 83 | L | A | 0.6329 | |
| 84 | Q | A | -1.0843 | |
| 85 | Q | A | -1.7732 | |
| 86 | S | A | -1.4405 | |
| 87 | P | A | -1.8870 | |
| 88 | R | A | -2.7205 | |
| 89 | A | A | -2.1444 | |
| 90 | D | A | -2.9276 | |
| 91 | N | A | -2.4476 | |
| 92 | S | A | -1.4314 | |
| 93 | A | A | -0.7941 | |
| 94 | P | A | -0.6753 | |
| 95 | G | A | -0.7272 | |
| 96 | T | A | -0.9228 | |
| 97 | P | A | -1.5601 | |
| 98 | T | A | -1.5348 | |
| 99 | R | A | -2.6455 | |
| 100 | K | A | -2.4654 | |
| 101 | I | A | -1.1928 | |
| 102 | S | A | -1.2570 | |
| 103 | A | A | -0.7673 | |
| 104 | S | A | -1.5494 | |
| 105 | E | A | -1.6434 | |
| 106 | F | A | 0.0000 | |
| 107 | D | A | -2.7569 | |
| 108 | R | A | -3.3653 | |
| 109 | P | A | -2.6578 | |
| 110 | L | A | 0.0000 | |
| 111 | R | A | -2.1534 | |
| 112 | P | A | -1.2998 | |
| 113 | I | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | V | A | -0.3441 | |
| 116 | K | A | -1.9644 | |
| 117 | D | A | -2.3146 | |
| 118 | S | A | -1.8242 | |
| 119 | E | A | -2.5250 | |
| 120 | G | A | -1.9294 | |
| 121 | T | A | -1.8022 | |
| 122 | V | A | -0.2181 | |
| 123 | S | A | 0.4738 | |
| 124 | F | A | 1.3366 | |
| 125 | L | A | 1.2802 | |
| 126 | S | A | -0.8917 | |
| 127 | D | A | -2.4907 | |
| 128 | S | A | -2.4402 | |
| 129 | E | A | -3.9195 | |
| 130 | K | A | -4.4386 | |
| 131 | K | A | -4.1410 | |
| 132 | E | A | -3.8888 | |
| 133 | Q | A | -2.3797 | |
| 134 | M | A | -0.4421 | |
| 135 | P | A | 0.0894 | |
| 136 | L | A | 1.3072 | |
| 137 | T | A | 0.2597 | |
| 138 | P | A | -0.2111 | |
| 139 | P | A | -0.7938 | |
| 140 | R | A | -1.6892 | |
| 141 | F | A | -0.5368 | |
| 142 | D | A | -2.4268 | |
| 143 | H | A | -2.9556 | |
| 144 | D | A | -3.6321 | |
| 145 | E | A | -3.7750 | |
| 146 | G | A | -3.0847 | |
| 147 | D | A | -3.2930 | |
| 148 | Q | A | -2.5229 | |
| 149 | C | A | -1.4811 | |
| 150 | S | A | -1.8204 | |
| 151 | R | A | -2.0518 | |
| 152 | L | A | -1.1802 | |
| 153 | L | A | -0.9594 | |
| 154 | E | A | -2.6802 | |
| 155 | L | A | -1.5416 | |
| 156 | V | A | -1.4082 | |
| 157 | K | A | -2.8225 | |
| 158 | D | A | -2.8856 | |
| 159 | I | A | 0.0000 | |
| 160 | S | A | -1.3791 | |
| 161 | S | A | -1.1136 | |
| 162 | H | A | -1.2410 | |
| 163 | L | A | -0.4844 | |
| 164 | D | A | -1.7956 | |
| 165 | V | A | 0.0000 | |
| 166 | T | A | -0.7597 | |
| 167 | A | A | -0.6127 | |
| 168 | L | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | H | A | 0.0000 | |
| 171 | K | A | 0.0352 | |
| 172 | I | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | L | A | 0.9306 | |
| 175 | H | A | 0.3426 | |
| 176 | I | A | 0.0000 | |
| 177 | H | A | -0.3842 | |
| 178 | G | A | -0.0723 | |
| 179 | L | A | -0.0622 | |
| 180 | I | A | 0.0000 | |
| 181 | S | A | -1.1894 | |
| 182 | A | A | 0.0000 | |
| 183 | D | A | -1.6431 | |
| 184 | R | A | -1.3241 | |
| 185 | Y | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | F | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | C | A | -1.2936 | |
| 192 | E | A | -2.6978 | |
| 193 | D | A | -3.0063 | |
| 194 | S | A | -2.8372 | |
| 195 | S | A | -2.6118 | |
| 196 | N | A | -3.2532 | |
| 197 | D | A | -3.3013 | |
| 198 | K | A | -2.5767 | |
| 199 | F | A | -1.9953 | |
| 200 | L | A | 0.0000 | |
| 201 | I | A | -0.5979 | |
| 202 | S | A | 0.0000 | |
| 203 | R | A | -1.1835 | |
| 204 | L | A | 0.0000 | |
| 205 | F | A | -0.3258 | |
| 206 | D | A | -0.8710 | |
| 207 | V | A | 0.0000 | |
| 208 | A | A | -1.2447 | |
| 209 | E | A | -2.0215 | |
| 210 | G | A | -1.1277 | |
| 211 | S | A | -1.3326 | |
| 212 | T | A | -1.3530 | |
| 213 | L | A | -1.2453 | |
| 214 | E | A | -2.7715 | |
| 215 | E | A | -3.1195 | |
| 216 | V | A | 0.0000 | |
| 217 | S | A | -2.0731 | |
| 218 | N | A | -2.4979 | |
| 219 | N | A | -1.8329 | |
| 220 | C | A | -0.4810 | |
| 221 | I | A | -0.2967 | |
| 222 | R | A | -1.6102 | |
| 223 | L | A | -1.7220 | |
| 224 | E | A | -2.8108 | |
| 225 | W | A | -2.0043 | |
| 226 | N | A | -1.9898 | |
| 227 | K | A | -2.2876 | |
| 228 | G | A | -1.6034 | |
| 229 | I | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | H | A | -0.8973 | |
| 233 | V | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | A | A | -0.1880 | |
| 236 | L | A | 0.5145 | |
| 237 | G | A | -0.6433 | |
| 238 | E | A | -1.0995 | |
| 239 | P | A | -0.8158 | |
| 240 | L | A | -0.7963 | |
| 241 | N | A | -1.4329 | |
| 242 | I | A | 0.0000 | |
| 243 | K | A | -2.7805 | |
| 244 | D | A | -2.4229 | |
| 245 | A | A | 0.0000 | |
| 246 | Y | A | -0.7941 | |
| 247 | E | A | -2.0549 | |
| 248 | D | A | -1.4488 | |
| 249 | P | A | -0.9398 | |
| 250 | R | A | -1.2055 | |
| 251 | F | A | -0.9315 | |
| 252 | N | A | -1.3841 | |
| 253 | A | A | -0.7994 | |
| 254 | E | A | -1.2181 | |
| 255 | V | A | 0.7143 | |
| 256 | D | A | 0.0000 | |
| 257 | Q | A | -0.8191 | |
| 258 | I | A | 1.4252 | |
| 259 | T | A | 0.3686 | |
| 260 | G | A | -0.5282 | |
| 261 | Y | A | -0.6054 | |
| 262 | K | A | -1.8587 | |
| 263 | T | A | 0.0000 | |
| 264 | Q | A | -2.3270 | |
| 265 | S | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | C | A | 0.0000 | |
| 269 | M | A | 0.0000 | |
| 270 | P | A | -0.6602 | |
| 271 | I | A | 0.0000 | |
| 272 | K | A | -1.7767 | |
| 273 | N | A | 0.0000 | |
| 274 | H | A | -2.2957 | |
| 275 | R | A | -3.4098 | |
| 276 | E | A | -3.4560 | |
| 277 | E | A | -2.5834 | |
| 278 | V | A | -1.2284 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | Q | A | -0.2152 | |
| 284 | A | A | 0.0000 | |
| 285 | I | A | -0.9323 | |
| 286 | N | A | -1.8298 | |
| 287 | K | A | -1.9751 | |
| 288 | K | A | -2.5035 | |
| 289 | S | A | -1.9083 | |
| 290 | G | A | -1.7118 | |
| 291 | N | A | -2.0739 | |
| 292 | G | A | -2.0352 | |
| 293 | G | A | -1.8276 | |
| 294 | T | A | -1.8338 | |
| 295 | F | A | 0.0000 | |
| 296 | T | A | -2.2148 | |
| 297 | E | A | -3.4341 | |
| 298 | K | A | -3.4740 | |
| 299 | D | A | 0.0000 | |
| 300 | E | A | -2.7740 | |
| 301 | K | A | -3.2355 | |
| 302 | D | A | -2.1545 | |
| 303 | F | A | 0.0000 | |
| 304 | A | A | -1.0218 | |
| 305 | A | A | -0.4706 | |
| 306 | Y | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | A | A | 0.0164 | |
| 309 | F | A | 0.6369 | |
| 310 | C | A | 0.0000 | |
| 311 | G | A | 0.0000 | |
| 312 | I | A | -0.2431 | |
| 313 | V | A | 0.1740 | |
| 314 | L | A | 0.0000 | |
| 315 | H | A | -0.4322 | |
| 316 | N | A | -0.7584 | |
| 317 | A | A | 0.0000 | |
| 318 | Q | A | -0.1443 | |
| 319 | L | A | 1.1169 | |
| 320 | Y | A | 0.6380 | |
| 321 | E | A | -0.4346 | |
| 322 | T | A | -0.3735 | |
| 323 | S | A | 0.1149 | |
| 324 | L | A | 0.4772 | |
| 325 | L | A | -0.5962 | |
| 326 | E | A | 0.0000 | |
| 327 | N | A | -1.8089 | |
| 328 | K | A | -1.6946 | |
| 329 | R | A | 0.0000 | |
| 330 | N | A | -1.5012 | |
| 331 | Q | A | -2.1453 | |
| 332 | V | A | -1.2645 | |
| 333 | L | A | 0.0000 | |
| 334 | L | A | -0.5154 | |
| 335 | D | A | -1.6886 | |
| 336 | L | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | S | A | -0.7141 | |
| 339 | L | A | -0.8835 | |
| 340 | I | A | 0.0000 | |
| 341 | F | A | -0.6914 | |
| 342 | E | A | -2.4209 | |
| 343 | E | A | -2.7988 | |
| 344 | Q | A | -2.1078 | |
| 345 | Q | A | -2.1375 | |
| 346 | S | A | -1.3802 | |
| 347 | L | A | -1.1879 | |
| 348 | E | A | -1.9702 | |
| 349 | V | A | -1.4611 | |
| 350 | I | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | K | A | -1.5959 | |
| 353 | K | A | -1.3446 | |
| 354 | I | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | A | A | -0.6329 | |
| 357 | T | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | S | A | -0.3952 | |
| 361 | F | A | 0.0000 | |
| 362 | M | A | 0.0000 | |
| 363 | Q | A | -0.9301 | |
| 364 | V | A | 0.0000 | |
| 365 | Q | A | -0.7328 | |
| 366 | K | A | -0.8946 | |
| 367 | C | A | 0.0000 | |
| 368 | T | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | F | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | V | A | -0.9676 | |
| 373 | D | A | -2.0828 | |
| 374 | E | A | -3.0023 | |
| 375 | D | A | -2.8924 | |
| 376 | C | A | -1.8311 | |
| 377 | S | A | -1.9576 | |
| 378 | D | A | -2.4650 | |
| 379 | S | A | -1.3402 | |
| 380 | F | A | -0.5468 | |
| 381 | S | A | -0.6672 | |
| 382 | S | A | -0.0254 | |
| 383 | V | A | 0.5016 | |
| 384 | F | A | -0.2563 | |
| 385 | H | A | -0.5068 | |
| 386 | M | A | -0.9620 | |
| 387 | E | A | -1.4399 | |
| 388 | C | A | -1.9139 | |
| 389 | E | A | -3.3297 | |
| 390 | E | A | -3.2671 | |
| 391 | L | A | -2.1923 | |
| 392 | E | A | -3.4090 | |
| 393 | K | A | -3.5058 | |
| 394 | S | A | -2.0419 | |
| 395 | S | A | -1.6160 | |
| 396 | D | A | -1.8464 | |
| 397 | T | A | -0.9983 | |
| 398 | L | A | -0.1854 | |
| 399 | T | A | -1.0348 | |
| 400 | R | A | -2.7324 | |
| 401 | E | A | -3.0561 | |
| 402 | H | A | -2.9485 | |
| 403 | D | A | -2.7981 | |
| 404 | A | A | -1.7339 | |
| 405 | N | A | -2.2278 | |
| 406 | K | A | -2.6258 | |
| 407 | I | A | -1.1073 | |
| 408 | N | A | -0.4225 | |
| 409 | Y | A | 0.9064 | |
| 410 | M | A | 0.9088 | |
| 411 | Y | A | 0.0000 | |
| 412 | A | A | 0.0000 | |
| 413 | Q | A | -0.2741 | |
| 414 | Y | A | -0.1778 | |
| 415 | V | A | 0.0000 | |
| 416 | K | A | -1.2386 | |
| 417 | N | A | -1.6519 | |
| 418 | T | A | -0.9681 | |
| 419 | M | A | -1.1360 | |
| 420 | E | A | -1.8655 | |
| 421 | P | A | -1.0895 | |
| 422 | L | A | 0.0000 | |
| 423 | N | A | -1.0640 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | -1.4947 | |
| 426 | D | A | -2.0379 | |
| 427 | V | A | 0.0000 | |
| 428 | S | A | -1.9252 | |
| 429 | K | A | -2.9587 | |
| 430 | D | A | -2.5954 | |
| 431 | K | A | -3.0173 | |
| 432 | R | A | -2.5592 | |
| 433 | F | A | 0.0000 | |
| 434 | P | A | -1.6910 | |
| 435 | W | A | -1.1377 | |
| 436 | T | A | -1.4342 | |
| 437 | T | A | -1.8429 | |
| 438 | E | A | -2.4511 | |
| 439 | N | A | -2.4314 | |
| 440 | T | A | -1.4159 | |
| 441 | G | A | -1.5930 | |
| 442 | N | A | -1.8059 | |
| 443 | V | A | -0.1975 | |
| 444 | N | A | -1.7122 | |
| 445 | Q | A | -2.3849 | |
| 446 | Q | A | -1.7426 | |
| 447 | C | A | -0.5279 | |
| 448 | I | A | -0.7028 | |
| 449 | R | A | -2.0174 | |
| 450 | S | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | C | A | 0.0000 | |
| 454 | T | A | 0.0000 | |
| 455 | P | A | 0.0000 | |
| 456 | I | A | 0.0000 | |
| 457 | K | A | -1.7918 | |
| 458 | N | A | -2.3192 | |
| 459 | G | A | -2.2202 | |
| 460 | K | A | -3.3200 | |
| 461 | K | A | -3.7645 | |
| 462 | N | A | -3.2550 | |
| 463 | K | A | -2.7772 | |
| 464 | V | A | 0.0000 | |
| 465 | I | A | 0.0000 | |
| 466 | G | A | 0.0000 | |
| 467 | V | A | 0.0000 | |
| 468 | C | A | 0.0000 | |
| 469 | Q | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | V | A | 0.0000 | |
| 472 | N | A | 0.0000 | |
| 473 | K | A | 0.0000 | |
| 474 | M | A | -1.5718 | |
| 475 | E | A | -2.4287 | |
| 476 | E | A | -3.0576 | |
| 477 | N | A | -2.6513 | |
| 478 | T | A | -2.0179 | |
| 479 | G | A | -2.2603 | |
| 480 | K | A | -2.4802 | |
| 481 | V | A | -1.6064 | |
| 482 | K | A | -1.5188 | |
| 483 | P | A | -1.3051 | |
| 484 | F | A | 0.0000 | |
| 485 | N | A | -2.0350 | |
| 486 | R | A | -2.8838 | |
| 487 | N | A | 0.0000 | |
| 488 | D | A | 0.0000 | |
| 489 | E | A | -1.5226 | |
| 490 | Q | A | -1.4400 | |
| 491 | F | A | 0.0000 | |
| 492 | L | A | 0.0000 | |
| 493 | E | A | -0.8908 | |
| 494 | A | A | 0.0000 | |
| 495 | F | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | I | A | 0.3532 | |
| 498 | F | A | 0.5380 | |
| 499 | C | A | 0.0000 | |
| 500 | G | A | 0.0000 | |
| 501 | L | A | 0.0206 | |
| 502 | G | A | 0.0000 | |
| 503 | I | A | 0.0000 | |
| 504 | Q | A | -0.6736 | |
| 505 | N | A | -0.5286 | |
| 506 | T | A | 0.0000 | |
| 507 | Q | A | -0.5860 | |
| 508 | M | A | 0.1520 | |
| 509 | Y | A | 0.0043 | |
| 510 | E | A | -0.9653 | |
| 511 | A | A | -0.4118 | |
| 512 | V | A | -0.1048 | |
| 513 | E | A | -2.0862 | |
| 514 | R | A | -2.4521 | |
| 515 | A | A | -1.2714 | |
| 516 | M | A | -0.5012 | |
| 517 | A | A | -0.7388 | |
| 518 | K | A | -1.5337 | |
| 519 | Q | A | -0.5543 | |
| 520 | M | A | 1.1103 | |
| 521 | V | A | 1.6817 | |
| 522 | T | A | 1.2165 | |
| 523 | L | A | 1.3191 | |
| 524 | E | A | 0.4959 | |
| 525 | V | A | 1.8867 | |
| 526 | L | A | 2.0917 | |
| 527 | S | A | 0.0000 | |
| 528 | Y | A | 1.2818 | |
| 529 | H | A | 0.0557 | |
| 530 | A | A | 0.0000 | |
| 531 | S | A | -0.3172 | |
| 532 | A | A | 0.0000 | |
| 533 | A | A | -2.2557 | |
| 534 | E | A | -3.8526 | |
| 535 | E | A | -4.5402 | |
| 536 | E | A | -4.3167 | |
| 537 | T | A | 0.0000 | |
| 538 | R | A | -4.7281 | |
| 539 | E | A | -4.0640 | |
| 540 | L | A | 0.0000 | |
| 541 | Q | A | -2.5549 | |
| 542 | S | A | -1.4146 | |
| 543 | L | A | -0.0891 | |
| 544 | A | A | 0.0000 | |
| 545 | A | A | 0.3450 | |
| 546 | A | A | 1.0059 | |
| 547 | V | A | 1.9631 | |
| 548 | V | A | 0.9610 | |
| 549 | P | A | -0.0134 | |
| 550 | S | A | -0.6516 | |
| 551 | A | A | 0.0000 | |
| 552 | Q | A | -2.0454 | |
| 553 | T | A | -1.1502 | |
| 554 | L | A | -1.3316 | |
| 555 | K | A | -2.4666 | |
| 556 | I | A | 0.0000 | |
| 557 | T | A | -1.3997 | |
| 558 | D | A | -1.8210 | |
| 559 | F | A | -0.5215 | |
| 560 | S | A | -0.6771 | |
| 561 | F | A | 0.0000 | |
| 562 | S | A | -0.5524 | |
| 563 | D | A | 0.0000 | |
| 564 | F | A | -0.5490 | |
| 565 | E | A | -1.6575 | |
| 566 | L | A | -0.9719 | |
| 567 | S | A | -0.9597 | |
| 568 | D | A | -1.2711 | |
| 569 | L | A | -0.7920 | |
| 570 | E | A | -1.0453 | |
| 571 | T | A | 0.0000 | |
| 572 | A | A | 0.0000 | |
| 573 | L | A | 0.0000 | |
| 574 | C | A | 0.0000 | |
| 575 | T | A | 0.0000 | |
| 576 | I | A | 0.0000 | |
| 577 | R | A | -0.5542 | |
| 578 | M | A | 0.0000 | |
| 579 | F | A | 0.0000 | |
| 580 | T | A | -1.0459 | |
| 581 | D | A | -1.1485 | |
| 582 | L | A | 0.0000 | |
| 583 | N | A | -2.3305 | |
| 584 | L | A | 0.0000 | |
| 585 | V | A | -1.7661 | |
| 586 | Q | A | -2.5446 | |
| 587 | N | A | -2.2972 | |
| 588 | F | A | 0.0000 | |
| 589 | Q | A | -2.5048 | |
| 590 | M | A | 0.0000 | |
| 591 | K | A | -2.6636 | |
| 592 | H | A | -1.9993 | |
| 593 | E | A | -2.4477 | |
| 594 | V | A | -1.3080 | |
| 595 | L | A | 0.0000 | |
| 596 | C | A | 0.0000 | |
| 597 | R | A | -1.5748 | |
| 598 | W | A | 0.0000 | |
| 599 | I | A | 0.0000 | |
| 600 | L | A | -0.8301 | |
| 601 | S | A | 0.0000 | |
| 602 | V | A | 0.0000 | |
| 603 | K | A | -1.6206 | |
| 604 | K | A | -2.0900 | |
| 605 | N | A | -1.4901 | |
| 606 | Y | A | 0.0000 | |
| 607 | R | A | -2.6526 | |
| 608 | K | A | -3.0427 | |
| 609 | N | A | -2.5281 | |
| 610 | V | A | 0.0000 | |
| 611 | A | A | -1.0578 | |
| 612 | Y | A | -0.3781 | |
| 613 | H | A | -0.7894 | |
| 614 | N | A | -1.5560 | |
| 615 | W | A | 0.0000 | |
| 616 | R | A | -0.8048 | |
| 617 | H | A | 0.0000 | |
| 618 | A | A | 0.0000 | |
| 619 | F | A | 0.0000 | |
| 620 | N | A | -0.3193 | |
| 621 | T | A | 0.0000 | |
| 622 | A | A | 0.0000 | |
| 623 | Q | A | 0.0000 | |
| 624 | C | A | 0.0000 | |
| 625 | M | A | 0.0000 | |
| 626 | F | A | 0.0000 | |
| 627 | A | A | 0.0000 | |
| 628 | A | A | 0.0000 | |
| 629 | L | A | 0.0000 | |
| 630 | K | A | -1.6141 | |
| 631 | A | A | -1.1240 | |
| 632 | G | A | 0.0000 | |
| 633 | K | A | -2.7061 | |
| 634 | I | A | 0.0000 | |
| 635 | Q | A | -2.0373 | |
| 636 | N | A | -2.4529 | |
| 637 | K | A | -2.1429 | |
| 638 | L | A | 0.0000 | |
| 639 | T | A | -1.0771 | |
| 640 | D | A | -1.8398 | |
| 641 | L | A | -0.7178 | |
| 642 | E | A | -0.6885 | |
| 643 | I | A | 0.0000 | |
| 644 | L | A | 0.0000 | |
| 645 | A | A | 0.0000 | |
| 646 | L | A | 0.0000 | |
| 647 | L | A | 0.0000 | |
| 648 | I | A | 0.0000 | |
| 649 | A | A | 0.0000 | |
| 650 | A | A | 0.0000 | |
| 651 | L | A | 0.0000 | |
| 652 | S | A | 0.0000 | |
| 653 | H | A | 0.0000 | |
| 654 | D | A | 0.0000 | |
| 655 | L | A | 0.0000 | |
| 656 | D | A | 0.0000 | |
| 657 | H | A | 0.0000 | |
| 658 | R | A | -1.5908 | |
| 659 | G | A | 0.0000 | |
| 660 | V | A | 0.0000 | |
| 661 | N | A | -0.9684 | |
| 662 | N | A | -1.1071 | |
| 663 | S | A | -1.2781 | |
| 664 | Y | A | 0.0000 | |
| 665 | I | A | 0.0000 | |
| 666 | Q | A | -2.7650 | |
| 667 | R | A | -2.9045 | |
| 668 | S | A | -2.5191 | |
| 669 | E | A | -3.1442 | |
| 670 | H | A | -1.9712 | |
| 671 | P | A | -0.9739 | |
| 672 | L | A | -0.2857 | |
| 673 | A | A | -1.0458 | |
| 674 | Q | A | -0.7472 | |
| 675 | L | A | 1.1397 | |
| 676 | Y | A | 0.7339 | |
| 677 | C | A | 0.5537 | |
| 678 | H | A | -0.1371 | |
| 679 | S | A | 0.0000 | |
| 680 | I | A | 0.0000 | |
| 681 | M | A | 0.0000 | |
| 682 | E | A | -0.5487 | |
| 683 | H | A | -0.4272 | |
| 684 | H | A | -0.2763 | |
| 685 | H | A | 0.0000 | |
| 686 | F | A | -0.5040 | |
| 687 | D | A | -0.9841 | |
| 688 | Q | A | -0.5191 | |
| 689 | C | A | 0.0000 | |
| 690 | L | A | -0.3322 | |
| 691 | M | A | -0.3244 | |
| 692 | I | A | 0.0000 | |
| 693 | L | A | 0.0000 | |
| 694 | N | A | -1.3657 | |
| 695 | S | A | 0.0000 | |
| 696 | P | A | -0.7163 | |
| 697 | G | A | -1.1212 | |
| 698 | N | A | 0.0000 | |
| 699 | Q | A | -1.1595 | |
| 700 | I | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | S | A | -0.7007 | |
| 703 | G | A | -0.9494 | |
| 704 | L | A | -0.5505 | |
| 705 | S | A | -0.1941 | |
| 706 | I | A | 0.4623 | |
| 707 | E | A | -1.7436 | |
| 708 | E | A | -1.6452 | |
| 709 | Y | A | -1.0147 | |
| 710 | K | A | -2.2761 | |
| 711 | T | A | -1.8057 | |
| 712 | T | A | 0.0000 | |
| 713 | L | A | -1.4651 | |
| 714 | K | A | -2.2188 | |
| 715 | I | A | 0.0000 | |
| 716 | I | A | 0.0000 | |
| 717 | K | A | -1.2071 | |
| 718 | Q | A | -1.0172 | |
| 719 | A | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | L | A | -0.1293 | |
| 722 | A | A | 0.0000 | |
| 723 | T | A | 0.1169 | |
| 724 | D | A | 0.0000 | |
| 725 | L | A | 0.6459 | |
| 726 | A | A | 0.2892 | |
| 727 | L | A | -0.0179 | |
| 728 | Y | A | 0.0000 | |
| 729 | I | A | 0.5314 | |
| 730 | K | A | -1.5494 | |
| 731 | R | A | -1.6231 | |
| 732 | R | A | -1.3083 | |
| 733 | G | A | -1.6185 | |
| 734 | E | A | -2.3817 | |
| 735 | F | A | 0.0000 | |
| 736 | F | A | -1.7946 | |
| 737 | E | A | -2.4380 | |
| 738 | L | A | -2.2707 | |
| 739 | I | A | 0.0000 | |
| 740 | R | A | -3.4474 | |
| 741 | K | A | -3.3389 | |
| 742 | N | A | -3.2176 | |
| 743 | Q | A | -2.6404 | |
| 744 | F | A | -1.8303 | |
| 745 | N | A | -1.7442 | |
| 746 | L | A | -1.5613 | |
| 747 | E | A | -2.5045 | |
| 748 | D | A | -2.1379 | |
| 749 | P | A | -1.7484 | |
| 750 | H | A | -1.7853 | |
| 751 | Q | A | -1.7000 | |
| 752 | K | A | -1.5513 | |
| 753 | E | A | -1.1242 | |
| 754 | L | A | 0.0000 | |
| 755 | F | A | 0.0000 | |
| 756 | L | A | 0.0000 | |
| 757 | A | A | 0.0000 | |
| 758 | M | A | 0.0000 | |
| 759 | L | A | 0.0000 | |
| 760 | M | A | 0.0000 | |
| 761 | T | A | 0.0000 | |
| 762 | A | A | 0.0000 | |
| 763 | C | A | 0.0000 | |
| 764 | D | A | -0.1579 | |
| 765 | L | A | 0.0934 | |
| 766 | S | A | 0.0000 | |
| 767 | A | A | -0.1713 | |
| 768 | I | A | 0.0000 | |
| 769 | T | A | 0.0000 | |
| 770 | K | A | 0.0000 | |
| 771 | P | A | -0.3426 | |
| 772 | W | A | -0.8066 | |
| 773 | P | A | -0.6725 | |
| 774 | I | A | -0.5189 | |
| 775 | Q | A | 0.0000 | |
| 776 | Q | A | -1.8421 | |
| 777 | R | A | -2.3606 | |
| 778 | I | A | -1.1147 | |
| 779 | A | A | 0.0000 | |
| 780 | E | A | -2.2352 | |
| 781 | L | A | -0.6032 | |
| 782 | V | A | -0.2463 | |
| 783 | A | A | 0.0000 | |
| 784 | T | A | -1.0071 | |
| 785 | E | A | 0.0000 | |
| 786 | F | A | -0.5538 | |
| 787 | F | A | 0.0000 | |
| 788 | D | A | -2.1334 | |
| 789 | Q | A | 0.0000 | |
| 790 | G | A | 0.0000 | |
| 791 | D | A | -2.5110 | |
| 792 | R | A | -2.4056 | |
| 793 | E | A | -2.6439 | |
| 794 | R | A | -2.7731 | |
| 795 | K | A | -3.4623 | |
| 796 | E | A | -3.1298 | |
| 797 | L | A | -2.3371 | |
| 798 | N | A | -2.5712 | |
| 799 | I | A | -1.6703 | |
| 800 | E | A | -2.2682 | |
| 801 | P | A | 0.0000 | |
| 802 | T | A | -0.8104 | |
| 803 | D | A | -1.7472 | |
| 804 | L | A | -0.4888 | |
| 805 | M | A | 0.0000 | |
| 806 | N | A | 0.0000 | |
| 807 | R | A | -3.9254 | |
| 808 | E | A | -3.9044 | |
| 809 | K | A | -3.8049 | |
| 810 | K | A | -3.9819 | |
| 811 | N | A | -3.3201 | |
| 812 | K | A | -3.0983 | |
| 813 | I | A | -1.4436 | |
| 814 | P | A | 0.0000 | |
| 815 | S | A | -1.0349 | |
| 816 | M | A | -0.3163 | |
| 817 | Q | A | -0.4157 | |
| 818 | V | A | -0.5878 | |
| 819 | G | A | -0.3627 | |
| 820 | F | A | 0.1397 | |
| 821 | I | A | 0.0000 | |
| 822 | D | A | -1.1725 | |
| 823 | A | A | -0.1709 | |
| 824 | I | A | 0.2444 | |
| 825 | C | A | 0.0000 | |
| 826 | L | A | -0.9302 | |
| 827 | Q | A | -1.0452 | |
| 828 | L | A | 0.0000 | |
| 829 | Y | A | 0.0000 | |
| 830 | E | A | -1.2574 | |
| 831 | A | A | 0.0000 | |
| 832 | L | A | 0.0000 | |
| 833 | T | A | -1.1790 | |
| 834 | H | A | -1.8984 | |
| 835 | V | A | 0.0000 | |
| 836 | S | A | 0.0000 | |
| 837 | E | A | -2.1760 | |
| 838 | D | A | -1.4998 | |
| 839 | C | A | 0.0000 | |
| 840 | F | A | 0.3165 | |
| 841 | P | A | -0.3275 | |
| 842 | L | A | 0.0000 | |
| 843 | L | A | 0.0000 | |
| 844 | D | A | -1.5695 | |
| 845 | G | A | -1.3822 | |
| 846 | C | A | 0.0000 | |
| 847 | R | A | -3.3851 | |
| 848 | K | A | -3.5117 | |
| 849 | N | A | 0.0000 | |
| 850 | R | A | -2.6906 | |
| 851 | Q | A | -2.9174 | |
| 852 | K | A | -2.4092 | |
| 853 | W | A | 0.0000 | |
| 854 | Q | A | -1.9171 | |
| 855 | A | A | -1.7397 | |
| 856 | L | A | -1.6712 | |
| 857 | A | A | -2.4397 | |
| 858 | E | A | -3.1358 | |
| 859 | Q | A | -2.6399 | |
| 860 | Q | A | -2.3724 | |
| 861 | E | A | -3.0285 | |
| 862 | K | A | -2.5107 | |
| 863 | M | A | -0.8945 | |
| 864 | L | A | -0.1160 | |
| 865 | I | A | -0.0808 | |
| 866 | N | A | -1.5295 | |
| 867 | G | A | -1.3682 | |
| 868 | E | A | -2.0803 | |
| 869 | S | A | -1.6262 | |
| 870 | G | A | -2.3215 | |
| 871 | Q | A | -3.3423 | |
| 872 | A | A | -2.6516 | |
| 873 | K | A | -3.5574 | |
| 874 | R | A | -3.6233 | |
| 875 | N | A | -2.8174 |
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 | -0.857 | 5.8601 | View | CSV | PDB |
| 4.5 | -0.9457 | 5.7039 | View | CSV | PDB |
| 5.0 | -1.0573 | 5.5315 | View | CSV | PDB |
| 5.5 | -1.17 | 5.3572 | View | CSV | PDB |
| 6.0 | -1.2604 | 5.193 | View | CSV | PDB |
| 6.5 | -1.3117 | 5.0467 | View | CSV | PDB |
| 7.0 | -1.3227 | 4.916 | View | CSV | PDB |
| 7.5 | -1.3058 | 4.7941 | View | CSV | PDB |
| 8.0 | -1.2736 | 4.6821 | View | CSV | PDB |
| 8.5 | -1.2317 | 4.5955 | View | CSV | PDB |
| 9.0 | -1.1804 | 4.5506 | 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