| Chain sequence(s) |
A: MARRPRHSIYSSDEDDEDFEMCDHDYDGLLPKSGKRHLGKTRWTREEDEKLKKLVEQNGTDDWKVIANYLPNRTDVQCQHRWQKVLNPELIKGPWTKEEDQRVIELVQKYGPKRWSVIAKHLKGRIGKQCRERWHNHLNPEVKKTSWTEEEDRIIYQAHKRLGNRWAEIAKLLPGRTDNAIKNHWNSTMRRKVEQEGYLQESSKASQPAVATSFQKNSHLMGFAQAPPTAQLPATGQPTVNNDYSYYHISEAQNVSSHVPYPVALHVNIVNVPQPAAAAIQRHYNDEDPEKEKRIKELELLLMSTENELKGQQVLPTQNHTCSYPGWHSTTIADHTRPHGDSAPVSCLGEHHSTPSLPADPGSLPEESASPARCMIVHQGTILDNVKNLLEFAETLQFIDSFLNTSSNHENSDLEMPSLTSTPLIGHKLTVTTPFHRDQTVKTQKENTVFRTPAIKRSILESSPRTPTPFKHALAAQEIKYGPLKMLPQTPSHLVEDLQDVIKQESDESGIVAEFQENGPPLLKKIKQEVESPTDKSGNFFCSHHWEGDSLNTQLFTQTSPVADAPNILTSSVLMAPASEDEDNVLKAFTVPKNRSLASPLQPCSSTWEPASCGKMEEQMTSSSQARKYVNAFSARTLVM
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:11)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cc1b4fbe11dd643/tmp/folded.pdb (00:15:11)
[INFO] Main: Simulation completed successfully. (00:20:49)
|
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 | 0.5067 | |
| 2 | A | A | -0.8368 | |
| 3 | R | A | -2.7556 | |
| 4 | R | A | -3.3100 | |
| 5 | P | A | -2.7924 | |
| 6 | R | A | -2.9312 | |
| 7 | H | A | -1.5856 | |
| 8 | S | A | 0.0849 | |
| 9 | I | A | 1.9823 | |
| 10 | Y | A | 1.9864 | |
| 11 | S | A | 0.2706 | |
| 12 | S | A | -1.3081 | |
| 13 | D | A | -3.5276 | |
| 14 | E | A | -4.1594 | |
| 15 | D | A | -4.3575 | |
| 16 | D | A | -4.5663 | |
| 17 | E | A | -3.6660 | |
| 18 | D | A | -2.4779 | |
| 19 | F | A | 0.0548 | |
| 20 | E | A | -0.9850 | |
| 21 | M | A | 0.2085 | |
| 22 | C | A | -0.0973 | |
| 23 | D | A | -2.2429 | |
| 24 | H | A | -2.1250 | |
| 25 | D | A | -2.4411 | |
| 26 | Y | A | -0.7809 | |
| 27 | D | A | -1.4358 | |
| 28 | G | A | -0.2097 | |
| 29 | L | A | 1.4413 | |
| 30 | L | A | 1.5968 | |
| 31 | P | A | -0.1862 | |
| 32 | K | A | -1.6633 | |
| 33 | S | A | -1.8359 | |
| 34 | G | A | -2.5180 | |
| 35 | K | A | -3.1595 | |
| 36 | R | A | -3.3464 | |
| 37 | H | A | -2.5105 | |
| 38 | L | A | -1.3074 | |
| 39 | G | A | -1.5149 | |
| 40 | K | A | -2.4717 | |
| 41 | T | A | -1.8976 | |
| 42 | R | A | -2.4228 | |
| 43 | W | A | -1.7882 | |
| 44 | T | A | -2.2475 | |
| 45 | R | A | -3.4194 | |
| 46 | E | A | -3.5359 | |
| 47 | E | A | -2.7973 | |
| 48 | D | A | 0.0000 | |
| 49 | E | A | -3.3951 | |
| 50 | K | A | -3.2109 | |
| 51 | L | A | 0.0000 | |
| 52 | K | A | -3.0784 | |
| 53 | K | A | -3.6896 | |
| 54 | L | A | -2.2994 | |
| 55 | V | A | 0.0000 | |
| 56 | E | A | -3.4892 | |
| 57 | Q | A | -2.9239 | |
| 58 | N | A | -2.4852 | |
| 59 | G | A | -2.3740 | |
| 60 | T | A | -2.1415 | |
| 61 | D | A | -2.8289 | |
| 62 | D | A | -2.8100 | |
| 63 | W | A | -2.0559 | |
| 64 | K | A | -2.2610 | |
| 65 | V | A | -1.0733 | |
| 66 | I | A | 0.0000 | |
| 67 | A | A | -1.1459 | |
| 68 | N | A | -1.2661 | |
| 69 | Y | A | -0.1675 | |
| 70 | L | A | 0.0000 | |
| 71 | P | A | -0.6979 | |
| 72 | N | A | -1.5144 | |
| 73 | R | A | 0.0000 | |
| 74 | T | A | -0.7358 | |
| 75 | D | A | -1.1206 | |
| 76 | V | A | 0.1410 | |
| 77 | Q | A | -0.5865 | |
| 78 | C | A | 0.0000 | |
| 79 | Q | A | -1.6584 | |
| 80 | H | A | -1.1895 | |
| 81 | R | A | -1.0842 | |
| 82 | W | A | 0.0000 | |
| 83 | Q | A | -2.0334 | |
| 84 | K | A | -1.4628 | |
| 85 | V | A | -0.6656 | |
| 86 | L | A | -0.8592 | |
| 87 | N | A | -1.2432 | |
| 88 | P | A | -1.3037 | |
| 89 | E | A | -2.2857 | |
| 90 | L | A | -1.3878 | |
| 91 | I | A | -0.8400 | |
| 92 | K | A | -1.6110 | |
| 93 | G | A | -0.9136 | |
| 94 | P | A | -0.7052 | |
| 95 | W | A | -0.8421 | |
| 96 | T | A | -1.5880 | |
| 97 | K | A | -3.0000 | |
| 98 | E | A | -3.1471 | |
| 99 | E | A | 0.0000 | |
| 100 | D | A | 0.0000 | |
| 101 | Q | A | -2.7694 | |
| 102 | R | A | -2.6665 | |
| 103 | V | A | 0.0000 | |
| 104 | I | A | -1.4992 | |
| 105 | E | A | -2.8211 | |
| 106 | L | A | -1.9883 | |
| 107 | V | A | 0.0000 | |
| 108 | Q | A | -2.4717 | |
| 109 | K | A | -2.6174 | |
| 110 | Y | A | -1.7063 | |
| 111 | G | A | -1.7387 | |
| 112 | P | A | -1.8778 | |
| 113 | K | A | -2.4889 | |
| 114 | R | A | -2.2167 | |
| 115 | W | A | 0.0000 | |
| 116 | S | A | -1.4188 | |
| 117 | V | A | -1.1304 | |
| 118 | I | A | 0.0000 | |
| 119 | A | A | -1.6323 | |
| 120 | K | A | -2.1014 | |
| 121 | H | A | -1.6430 | |
| 122 | L | A | 0.0000 | |
| 123 | K | A | -2.2457 | |
| 124 | G | A | -1.6539 | |
| 125 | R | A | 0.0000 | |
| 126 | I | A | -1.1990 | |
| 127 | G | A | -1.9552 | |
| 128 | K | A | -2.3420 | |
| 129 | Q | A | -1.9586 | |
| 130 | C | A | 0.0000 | |
| 131 | R | A | -3.4824 | |
| 132 | E | A | -3.4077 | |
| 133 | R | A | -2.2061 | |
| 134 | W | A | -1.6959 | |
| 135 | H | A | -2.3226 | |
| 136 | N | A | -2.0740 | |
| 137 | H | A | -1.8569 | |
| 138 | L | A | -1.0931 | |
| 139 | N | A | -1.1919 | |
| 140 | P | A | -1.6504 | |
| 141 | E | A | -2.6764 | |
| 142 | V | A | -2.2360 | |
| 143 | K | A | -2.7993 | |
| 144 | K | A | -2.7034 | |
| 145 | T | A | -1.3416 | |
| 146 | S | A | -0.7047 | |
| 147 | W | A | -0.9293 | |
| 148 | T | A | -1.6652 | |
| 149 | E | A | -3.0076 | |
| 150 | E | A | -3.1685 | |
| 151 | E | A | 0.0000 | |
| 152 | D | A | 0.0000 | |
| 153 | R | A | -3.1183 | |
| 154 | I | A | -1.4678 | |
| 155 | I | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | Q | A | -2.5672 | |
| 158 | A | A | 0.0000 | |
| 159 | H | A | -2.7893 | |
| 160 | K | A | -3.1466 | |
| 161 | R | A | -3.2773 | |
| 162 | L | A | -2.3873 | |
| 163 | G | A | -2.4490 | |
| 164 | N | A | -2.9062 | |
| 165 | R | A | -3.1137 | |
| 166 | W | A | -2.4089 | |
| 167 | A | A | -1.8346 | |
| 168 | E | A | -2.1619 | |
| 169 | I | A | 0.0000 | |
| 170 | A | A | -1.4647 | |
| 171 | K | A | -1.7095 | |
| 172 | L | A | 0.0331 | |
| 173 | L | A | 0.0000 | |
| 174 | P | A | -0.9262 | |
| 175 | G | A | -1.7411 | |
| 176 | R | A | 0.0000 | |
| 177 | T | A | -1.6623 | |
| 178 | D | A | -2.3307 | |
| 179 | N | A | -1.6201 | |
| 180 | A | A | -1.3772 | |
| 181 | I | A | 0.0000 | |
| 182 | K | A | -2.3188 | |
| 183 | N | A | -2.0870 | |
| 184 | H | A | 0.0000 | |
| 185 | W | A | 0.0000 | |
| 186 | N | A | -2.3942 | |
| 187 | S | A | -1.7447 | |
| 188 | T | A | -1.5313 | |
| 189 | M | A | 0.0000 | |
| 190 | R | A | -3.4540 | |
| 191 | R | A | -4.2763 | |
| 192 | K | A | -3.4396 | |
| 193 | V | A | 0.0000 | |
| 194 | E | A | -4.1069 | |
| 195 | Q | A | -3.8867 | |
| 196 | E | A | -3.6629 | |
| 197 | G | A | -2.7086 | |
| 198 | Y | A | -2.3284 | |
| 199 | L | A | -2.2005 | |
| 200 | Q | A | -2.6011 | |
| 201 | E | A | -2.6486 | |
| 202 | S | A | -1.9955 | |
| 203 | S | A | -1.8329 | |
| 204 | K | A | -2.2972 | |
| 205 | A | A | -1.4832 | |
| 206 | S | A | -1.4303 | |
| 207 | Q | A | -1.3381 | |
| 208 | P | A | -0.3363 | |
| 209 | A | A | 0.4391 | |
| 210 | V | A | 1.5230 | |
| 211 | A | A | 1.0627 | |
| 212 | T | A | 0.7614 | |
| 213 | S | A | 0.3777 | |
| 214 | F | A | 0.6259 | |
| 215 | Q | A | -1.5327 | |
| 216 | K | A | -2.5882 | |
| 217 | N | A | -2.3802 | |
| 218 | S | A | -1.6211 | |
| 219 | H | A | -0.6874 | |
| 220 | L | A | 1.2918 | |
| 221 | M | A | 1.7755 | |
| 222 | G | A | 1.2917 | |
| 223 | F | A | 1.7032 | |
| 224 | A | A | 0.5423 | |
| 225 | Q | A | -0.7642 | |
| 226 | A | A | -0.6824 | |
| 227 | P | A | -0.6103 | |
| 228 | P | A | -0.4053 | |
| 229 | T | A | -0.4659 | |
| 230 | A | A | -0.2979 | |
| 231 | Q | A | -0.3998 | |
| 232 | L | A | 0.8024 | |
| 233 | P | A | 0.2337 | |
| 234 | A | A | 0.1019 | |
| 235 | T | A | -0.5849 | |
| 236 | G | A | -1.1123 | |
| 237 | Q | A | -1.5920 | |
| 238 | P | A | -0.6669 | |
| 239 | T | A | 0.1501 | |
| 240 | V | A | 0.7506 | |
| 241 | N | A | -1.3900 | |
| 242 | N | A | -2.0589 | |
| 243 | D | A | -2.0793 | |
| 244 | Y | A | 0.3170 | |
| 245 | S | A | 0.8320 | |
| 246 | Y | A | 2.2010 | |
| 247 | Y | A | 2.0240 | |
| 248 | H | A | 0.7053 | |
| 249 | I | A | 1.5267 | |
| 250 | S | A | -0.3178 | |
| 251 | E | A | -1.9782 | |
| 252 | A | A | -1.7155 | |
| 253 | Q | A | -1.7605 | |
| 254 | N | A | -1.2375 | |
| 255 | V | A | 0.7273 | |
| 256 | S | A | -0.0035 | |
| 257 | S | A | -0.0359 | |
| 258 | H | A | -0.3496 | |
| 259 | V | A | 1.3770 | |
| 260 | P | A | 1.1268 | |
| 261 | Y | A | 1.8856 | |
| 262 | P | A | 1.3675 | |
| 263 | V | A | 2.2176 | |
| 264 | A | A | 1.7450 | |
| 265 | L | A | 1.8132 | |
| 266 | H | A | 0.7661 | |
| 267 | V | A | 1.8134 | |
| 268 | N | A | 0.8707 | |
| 269 | I | A | 2.5800 | |
| 270 | V | A | 2.3468 | |
| 271 | N | A | 0.5605 | |
| 272 | V | A | 1.4713 | |
| 273 | P | A | -0.2005 | |
| 274 | Q | A | -1.1334 | |
| 275 | P | A | -0.4150 | |
| 276 | A | A | -0.2350 | |
| 277 | A | A | -0.3732 | |
| 278 | A | A | -0.7612 | |
| 279 | A | A | -0.2084 | |
| 280 | I | A | 0.8599 | |
| 281 | Q | A | -1.2653 | |
| 282 | R | A | -2.4690 | |
| 283 | H | A | -2.0351 | |
| 284 | Y | A | -1.1479 | |
| 285 | N | A | -3.1146 | |
| 286 | D | A | -3.7765 | |
| 287 | E | A | -4.4073 | |
| 288 | D | A | -4.8199 | |
| 289 | P | A | -3.9758 | |
| 290 | E | A | -4.6668 | |
| 291 | K | A | -4.8241 | |
| 292 | E | A | -4.7257 | |
| 293 | K | A | -4.8126 | |
| 294 | R | A | -4.0552 | |
| 295 | I | A | -1.3675 | |
| 296 | K | A | -2.4661 | |
| 297 | E | A | -1.7790 | |
| 298 | L | A | 0.4041 | |
| 299 | E | A | 0.6839 | |
| 300 | L | A | 1.7245 | |
| 301 | L | A | 2.2197 | |
| 302 | L | A | 1.6580 | |
| 303 | M | A | 0.9364 | |
| 304 | S | A | 0.0396 | |
| 305 | T | A | -0.5956 | |
| 306 | E | A | -1.9520 | |
| 307 | N | A | -2.9394 | |
| 308 | E | A | -3.2362 | |
| 309 | L | A | -1.7313 | |
| 310 | K | A | -3.1057 | |
| 311 | G | A | -2.3089 | |
| 312 | Q | A | -1.8571 | |
| 313 | Q | A | -1.1333 | |
| 314 | V | A | 1.2311 | |
| 315 | L | A | 1.5588 | |
| 316 | P | A | 0.2732 | |
| 317 | T | A | -0.6737 | |
| 318 | Q | A | -1.9760 | |
| 319 | N | A | -2.4341 | |
| 320 | H | A | -1.8047 | |
| 321 | T | A | -0.5175 | |
| 322 | C | A | 0.6475 | |
| 323 | S | A | 0.7240 | |
| 324 | Y | A | 1.1034 | |
| 325 | P | A | 0.3560 | |
| 326 | G | A | -0.0331 | |
| 327 | W | A | 0.3719 | |
| 328 | H | A | -0.7077 | |
| 329 | S | A | -0.2912 | |
| 330 | T | A | 0.1131 | |
| 331 | T | A | 0.7862 | |
| 332 | I | A | 1.5852 | |
| 333 | A | A | -0.2282 | |
| 334 | D | A | -1.8098 | |
| 335 | H | A | -2.2708 | |
| 336 | T | A | -1.8987 | |
| 337 | R | A | -2.4006 | |
| 338 | P | A | -1.6939 | |
| 339 | H | A | -2.1133 | |
| 340 | G | A | -2.0464 | |
| 341 | D | A | -2.3502 | |
| 342 | S | A | -1.1433 | |
| 343 | A | A | -0.2054 | |
| 344 | P | A | 0.5153 | |
| 345 | V | A | 1.6951 | |
| 346 | S | A | 1.2893 | |
| 347 | C | A | 1.4189 | |
| 348 | L | A | 1.1490 | |
| 349 | G | A | -0.6478 | |
| 350 | E | A | -2.2773 | |
| 351 | H | A | -2.5093 | |
| 352 | H | A | -1.9870 | |
| 353 | S | A | -0.9806 | |
| 354 | T | A | -0.5314 | |
| 355 | P | A | -0.1600 | |
| 356 | S | A | 0.3272 | |
| 357 | L | A | 1.2747 | |
| 358 | P | A | 0.2622 | |
| 359 | A | A | -0.6154 | |
| 360 | D | A | -2.0492 | |
| 361 | P | A | -1.5077 | |
| 362 | G | A | -0.7600 | |
| 363 | S | A | 0.1465 | |
| 364 | L | A | 0.8263 | |
| 365 | P | A | -0.6980 | |
| 366 | E | A | -2.6522 | |
| 367 | E | A | -2.9532 | |
| 368 | S | A | -1.5087 | |
| 369 | A | A | -0.5577 | |
| 370 | S | A | -0.3391 | |
| 371 | P | A | -0.6012 | |
| 372 | A | A | -0.7120 | |
| 373 | R | A | -0.9935 | |
| 374 | C | A | 0.9506 | |
| 375 | M | A | 2.1575 | |
| 376 | I | A | 3.0423 | |
| 377 | V | A | 2.3930 | |
| 378 | H | A | 0.1343 | |
| 379 | Q | A | -0.5416 | |
| 380 | G | A | -0.5990 | |
| 381 | T | A | -0.1380 | |
| 382 | I | A | 1.3258 | |
| 383 | L | A | 1.1197 | |
| 384 | D | A | -0.9282 | |
| 385 | N | A | -0.1845 | |
| 386 | V | A | 1.1275 | |
| 387 | K | A | -0.6323 | |
| 388 | N | A | -0.1512 | |
| 389 | L | A | 1.5790 | |
| 390 | L | A | 1.0179 | |
| 391 | E | A | -0.6204 | |
| 392 | F | A | 1.5280 | |
| 393 | A | A | 0.6167 | |
| 394 | E | A | -0.8209 | |
| 395 | T | A | 0.4261 | |
| 396 | L | A | 0.8759 | |
| 397 | Q | A | -0.1797 | |
| 398 | F | A | 2.0328 | |
| 399 | I | A | 1.7573 | |
| 400 | D | A | 0.2042 | |
| 401 | S | A | 0.9503 | |
| 402 | F | A | 2.5945 | |
| 403 | L | A | 1.7010 | |
| 404 | N | A | -0.6071 | |
| 405 | T | A | -0.1675 | |
| 406 | S | A | -0.4652 | |
| 407 | S | A | -1.5316 | |
| 408 | N | A | -2.6973 | |
| 409 | H | A | -2.8916 | |
| 410 | E | A | -3.5358 | |
| 411 | N | A | -2.9355 | |
| 412 | S | A | -2.0140 | |
| 413 | D | A | -2.0102 | |
| 414 | L | A | -0.1927 | |
| 415 | E | A | -1.0308 | |
| 416 | M | A | 0.2621 | |
| 417 | P | A | 0.0698 | |
| 418 | S | A | 0.7071 | |
| 419 | L | A | 1.4220 | |
| 420 | T | A | 0.5107 | |
| 421 | S | A | 0.1059 | |
| 422 | T | A | 0.0200 | |
| 423 | P | A | 0.8710 | |
| 424 | L | A | 2.2556 | |
| 425 | I | A | 2.2334 | |
| 426 | G | A | 0.0008 | |
| 427 | H | A | -1.2217 | |
| 428 | K | A | -1.5370 | |
| 429 | L | A | 0.8244 | |
| 430 | T | A | 1.2334 | |
| 431 | V | A | 2.0186 | |
| 432 | T | A | 0.6705 | |
| 433 | T | A | 0.5082 | |
| 434 | P | A | 0.3935 | |
| 435 | F | A | 0.9071 | |
| 436 | H | A | -1.4087 | |
| 437 | R | A | -3.0232 | |
| 438 | D | A | -3.5125 | |
| 439 | Q | A | -2.1525 | |
| 440 | T | A | -0.5936 | |
| 441 | V | A | 0.6666 | |
| 442 | K | A | -1.3599 | |
| 443 | T | A | -1.5792 | |
| 444 | Q | A | -2.8506 | |
| 445 | K | A | -3.7592 | |
| 446 | E | A | -3.6953 | |
| 447 | N | A | -2.3532 | |
| 448 | T | A | 0.1541 | |
| 449 | V | A | 2.0879 | |
| 450 | F | A | 1.8807 | |
| 451 | R | A | -0.6367 | |
| 452 | T | A | -0.6663 | |
| 453 | P | A | -0.2721 | |
| 454 | A | A | 0.5441 | |
| 455 | I | A | 0.7995 | |
| 456 | K | A | -1.7001 | |
| 457 | R | A | -1.7850 | |
| 458 | S | A | -0.1786 | |
| 459 | I | A | 1.8596 | |
| 460 | L | A | 1.3833 | |
| 461 | E | A | -0.8630 | |
| 462 | S | A | -0.8566 | |
| 463 | S | A | -1.2203 | |
| 464 | P | A | -1.5527 | |
| 465 | R | A | -2.1577 | |
| 466 | T | A | -1.2177 | |
| 467 | P | A | -1.0675 | |
| 468 | T | A | -0.5990 | |
| 469 | P | A | -0.3472 | |
| 470 | F | A | 0.7718 | |
| 471 | K | A | -1.2889 | |
| 472 | H | A | -1.4334 | |
| 473 | A | A | -0.3127 | |
| 474 | L | A | -0.3499 | |
| 475 | A | A | -0.7692 | |
| 476 | A | A | -0.4786 | |
| 477 | Q | A | -0.9151 | |
| 478 | E | A | -0.8585 | |
| 479 | I | A | 0.5862 | |
| 480 | K | A | -0.8296 | |
| 481 | Y | A | 0.5104 | |
| 482 | G | A | -0.1196 | |
| 483 | P | A | -0.0870 | |
| 484 | L | A | 0.9322 | |
| 485 | K | A | -0.0757 | |
| 486 | M | A | 1.1512 | |
| 487 | L | A | 1.2659 | |
| 488 | P | A | -0.0784 | |
| 489 | Q | A | -0.9627 | |
| 490 | T | A | -0.8607 | |
| 491 | P | A | -0.3735 | |
| 492 | S | A | -0.6358 | |
| 493 | H | A | -0.8875 | |
| 494 | L | A | 0.8060 | |
| 495 | V | A | 0.7903 | |
| 496 | E | A | -1.4208 | |
| 497 | D | A | -1.0963 | |
| 498 | L | A | 0.8395 | |
| 499 | Q | A | -0.9638 | |
| 500 | D | A | -2.1038 | |
| 501 | V | A | 0.0081 | |
| 502 | I | A | -0.0576 | |
| 503 | K | A | -2.8502 | |
| 504 | Q | A | -3.0298 | |
| 505 | E | A | -3.1307 | |
| 506 | S | A | -2.9118 | |
| 507 | D | A | -3.8477 | |
| 508 | E | A | -3.5266 | |
| 509 | S | A | -1.4375 | |
| 510 | G | A | 0.1334 | |
| 511 | I | A | 2.5048 | |
| 512 | V | A | 2.3672 | |
| 513 | A | A | 0.9773 | |
| 514 | E | A | -0.9721 | |
| 515 | F | A | -0.0232 | |
| 516 | Q | A | -1.8715 | |
| 517 | E | A | -2.8975 | |
| 518 | N | A | -2.6800 | |
| 519 | G | A | -1.4583 | |
| 520 | P | A | -0.3247 | |
| 521 | P | A | 0.3917 | |
| 522 | L | A | 1.4180 | |
| 523 | L | A | 1.0138 | |
| 524 | K | A | -1.1050 | |
| 525 | K | A | -1.5845 | |
| 526 | I | A | -0.4107 | |
| 527 | K | A | -2.1699 | |
| 528 | Q | A | -2.6149 | |
| 529 | E | A | -2.4233 | |
| 530 | V | A | -0.4612 | |
| 531 | E | A | -1.5997 | |
| 532 | S | A | -1.0633 | |
| 533 | P | A | -1.1675 | |
| 534 | T | A | -1.7094 | |
| 535 | D | A | -2.7402 | |
| 536 | K | A | -2.7851 | |
| 537 | S | A | -2.0406 | |
| 538 | G | A | -1.1106 | |
| 539 | N | A | -0.0917 | |
| 540 | F | A | 2.2592 | |
| 541 | F | A | 2.9190 | |
| 542 | C | A | 1.7685 | |
| 543 | S | A | -0.1627 | |
| 544 | H | A | -1.2439 | |
| 545 | H | A | -1.4080 | |
| 546 | W | A | -0.7197 | |
| 547 | E | A | -2.0853 | |
| 548 | G | A | -1.9975 | |
| 549 | D | A | -2.0485 | |
| 550 | S | A | -0.7022 | |
| 551 | L | A | 0.4136 | |
| 552 | N | A | -0.8412 | |
| 553 | T | A | -0.6235 | |
| 554 | Q | A | -0.2730 | |
| 555 | L | A | 1.8286 | |
| 556 | F | A | 2.1075 | |
| 557 | T | A | 0.5200 | |
| 558 | Q | A | -0.9155 | |
| 559 | T | A | -0.9318 | |
| 560 | S | A | -0.3531 | |
| 561 | P | A | 0.1295 | |
| 562 | V | A | 1.1962 | |
| 563 | A | A | 0.0148 | |
| 564 | D | A | -1.3621 | |
| 565 | A | A | -1.0260 | |
| 566 | P | A | -0.7724 | |
| 567 | N | A | -0.0628 | |
| 568 | I | A | 2.0710 | |
| 569 | L | A | 2.1568 | |
| 570 | T | A | 0.9275 | |
| 571 | S | A | 0.3348 | |
| 572 | S | A | 0.9589 | |
| 573 | V | A | 2.5715 | |
| 574 | L | A | 2.9171 | |
| 575 | M | A | 2.1957 | |
| 576 | A | A | 0.7832 | |
| 577 | P | A | -0.0102 | |
| 578 | A | A | -0.7303 | |
| 579 | S | A | -1.9529 | |
| 580 | E | A | -3.2459 | |
| 581 | D | A | -4.0386 | |
| 582 | E | A | -4.3102 | |
| 583 | D | A | -3.4176 | |
| 584 | N | A | -1.2511 | |
| 585 | V | A | 1.1007 | |
| 586 | L | A | 1.2167 | |
| 587 | K | A | -0.1139 | |
| 588 | A | A | 0.4858 | |
| 589 | F | A | 1.9695 | |
| 590 | T | A | 1.7406 | |
| 591 | V | A | 1.6336 | |
| 592 | P | A | -0.3438 | |
| 593 | K | A | -2.4399 | |
| 594 | N | A | -3.1403 | |
| 595 | R | A | -2.6498 | |
| 596 | S | A | -0.5481 | |
| 597 | L | A | 1.0499 | |
| 598 | A | A | 0.6839 | |
| 599 | S | A | 0.3489 | |
| 600 | P | A | 0.1526 | |
| 601 | L | A | 0.7627 | |
| 602 | Q | A | -0.5052 | |
| 603 | P | A | -0.2914 | |
| 604 | C | A | 0.2054 | |
| 605 | S | A | 0.0251 | |
| 606 | S | A | 0.0440 | |
| 607 | T | A | -0.0344 | |
| 608 | W | A | 0.1800 | |
| 609 | E | A | -1.3752 | |
| 610 | P | A | -0.8867 | |
| 611 | A | A | -0.4039 | |
| 612 | S | A | 0.0292 | |
| 613 | C | A | 0.0812 | |
| 614 | G | A | -0.7507 | |
| 615 | K | A | -1.6505 | |
| 616 | M | A | -1.2583 | |
| 617 | E | A | -2.8090 | |
| 618 | E | A | -2.8840 | |
| 619 | Q | A | -1.9317 | |
| 620 | M | A | -0.0269 | |
| 621 | T | A | -0.2157 | |
| 622 | S | A | -0.3843 | |
| 623 | S | A | -0.6251 | |
| 624 | S | A | -1.4660 | |
| 625 | Q | A | -2.0830 | |
| 626 | A | A | -1.7143 | |
| 627 | R | A | -2.2537 | |
| 628 | K | A | -1.8730 | |
| 629 | Y | A | 0.6055 | |
| 630 | V | A | 1.2699 | |
| 631 | N | A | 0.1378 | |
| 632 | A | A | 0.8736 | |
| 633 | F | A | 1.5376 | |
| 634 | S | A | 0.1325 | |
| 635 | A | A | -0.3011 | |
| 636 | R | A | -1.0433 | |
| 637 | T | A | 0.3547 | |
| 638 | L | A | 2.1413 | |
| 639 | V | A | 2.8178 | |
| 640 | M | A | 2.2891 |
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 | -0.3718 | 6.6905 | View | CSV | PDB |
| 4.5 | -0.464 | 6.6905 | View | CSV | PDB |
| 5.0 | -0.5819 | 6.6905 | View | CSV | PDB |
| 5.5 | -0.6987 | 6.6905 | View | CSV | PDB |
| 6.0 | -0.7855 | 6.6905 | View | CSV | PDB |
| 6.5 | -0.8255 | 6.6905 | View | CSV | PDB |
| 7.0 | -0.8226 | 6.6905 | View | CSV | PDB |
| 7.5 | -0.7936 | 6.6905 | View | CSV | PDB |
| 8.0 | -0.752 | 6.6905 | View | CSV | PDB |
| 8.5 | -0.7026 | 6.6905 | View | CSV | PDB |
| 9.0 | -0.6443 | 6.6905 | 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