| Chain sequence(s) | MLACLTRGNLLDVLQEGFNEQQLQAYVAWVNAQLKKRPSVKPVQDLRQDLRDGVILAYLIEIVGQLALDSDASVDERTDFFLLHSPFKAAGEKLTGVQLSPSNQQEMKSNVERVLQFVASKKIRMHQTSAKDIVEGNLKSIMRLVLALAAHFKPGSSRTVSQGRDSKAPVQSHQPHCATAVAQGAAAALADVCHDVSRSGRDVFRYRQRNASVDGEIENPYWSVRALVQQYEGQQKSPSESSCSSLTSPSPIHSAKSESIITQAEEKADFVIIPSEGIENRTDEPDSPSSRDWRPGSRGTYLEATWEEQLLEQQEHLEKEMEEAKKMISGLQALLLNGSLPEDEQERPVALCEPGVNPEEQLIIIRSRLDQSVEENQDLKKELLKCKQEARNLQGIKDALQQRLTQQDTSVLQLKQELLRANMDKDELHNQNVDLQRKLEERNRLLGEYKKELGQKDRLFQQQQAKLEEALRKLSDASYQQVDLERELEQKDVLLAHCMKGETDEVTNYNSHSSQRNGFVLPVAGRGATTVTHRGPQTSDLQLVRDALRSLRNSFSGHDPQHHTIDSLEQGISSLMERLHVVETQKKQERKVGGRSPRNQASSEYRASWPPNSTLPHSQSSPAVSSTCTKVLYFTDRSLTPFMVNIPKRLGEVTLKDFKAAIDREGNHRYHFKALDPEFGTVKEEVFHDDDAIPGWEGKIVAWVEEDHREN input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:46:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/324af1af343df6/tmp/folded.pdb (00:46:50)
[INFO] Main: Simulation completed successfully. (00:59:29)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 1.8099 | |
| 2 | L | A | 1.9307 | |
| 3 | A | A | 1.0108 | |
| 4 | C | A | 1.1056 | |
| 5 | L | A | 0.6827 | |
| 6 | T | A | -0.4690 | |
| 7 | R | A | -2.1468 | |
| 8 | G | A | -1.7173 | |
| 9 | N | A | -1.5632 | |
| 10 | L | A | -0.2793 | |
| 11 | L | A | 0.1291 | |
| 12 | D | A | -1.6676 | |
| 13 | V | A | -0.0424 | |
| 14 | L | A | 0.0000 | |
| 15 | Q | A | -1.9718 | |
| 16 | E | A | -2.3832 | |
| 17 | G | A | -1.2771 | |
| 18 | F | A | -0.4880 | |
| 19 | N | A | -1.8933 | |
| 20 | E | A | -2.7601 | |
| 21 | Q | A | -2.5817 | |
| 22 | Q | A | -1.4350 | |
| 23 | L | A | -1.4668 | |
| 24 | Q | A | -2.3512 | |
| 25 | A | A | -0.8688 | |
| 26 | Y | A | 0.0000 | |
| 27 | V | A | 0.0000 | |
| 28 | A | A | -0.4603 | |
| 29 | W | A | -0.0327 | |
| 30 | V | A | 0.0000 | |
| 31 | N | A | -1.3099 | |
| 32 | A | A | -0.9397 | |
| 33 | Q | A | -1.2058 | |
| 34 | L | A | 0.0000 | |
| 35 | K | A | -2.9748 | |
| 36 | K | A | -2.6278 | |
| 37 | R | A | -2.0712 | |
| 38 | P | A | -1.6826 | |
| 39 | S | A | -1.1717 | |
| 40 | V | A | -1.4090 | |
| 41 | K | A | -2.2704 | |
| 42 | P | A | -1.8424 | |
| 43 | V | A | 0.0000 | |
| 44 | Q | A | -2.4709 | |
| 45 | D | A | -2.4432 | |
| 46 | L | A | 0.0000 | |
| 47 | R | A | -2.9106 | |
| 48 | Q | A | -2.9075 | |
| 49 | D | A | -2.0875 | |
| 50 | L | A | 0.0000 | |
| 51 | R | A | -2.4001 | |
| 52 | D | A | -1.3593 | |
| 53 | G | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | Y | A | -0.0301 | |
| 59 | L | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | E | A | -1.5753 | |
| 62 | I | A | 0.0000 | |
| 63 | V | A | 0.0000 | |
| 64 | G | A | -1.2265 | |
| 65 | Q | A | -1.7406 | |
| 66 | L | A | -0.8703 | |
| 67 | A | A | -0.7099 | |
| 68 | L | A | -0.1842 | |
| 69 | D | A | -1.8693 | |
| 70 | S | A | -1.6110 | |
| 71 | D | A | -2.0056 | |
| 72 | A | A | -0.9933 | |
| 73 | S | A | -0.3789 | |
| 74 | V | A | 0.1306 | |
| 75 | D | A | -2.1572 | |
| 76 | E | A | -3.1865 | |
| 77 | R | A | -3.1713 | |
| 78 | T | A | -1.5662 | |
| 79 | D | A | -0.7589 | |
| 80 | F | A | 2.1297 | |
| 81 | F | A | 3.5416 | |
| 82 | L | A | 3.3084 | |
| 83 | L | A | 2.1695 | |
| 84 | H | A | 0.1025 | |
| 85 | S | A | -0.1534 | |
| 86 | P | A | 0.1317 | |
| 87 | F | A | 0.9138 | |
| 88 | K | A | -0.8760 | |
| 89 | A | A | -0.7083 | |
| 90 | A | A | -1.0007 | |
| 91 | G | A | -1.9418 | |
| 92 | E | A | -3.0909 | |
| 93 | K | A | -2.8920 | |
| 94 | L | A | -1.6299 | |
| 95 | T | A | -1.1267 | |
| 96 | G | A | -0.6529 | |
| 97 | V | A | -0.5517 | |
| 98 | Q | A | -0.1827 | |
| 99 | L | A | 1.0187 | |
| 100 | S | A | 0.0894 | |
| 101 | P | A | -0.9231 | |
| 102 | S | A | -1.0429 | |
| 103 | N | A | -1.9486 | |
| 104 | Q | A | -2.9061 | |
| 105 | Q | A | -2.6644 | |
| 106 | E | A | -2.1449 | |
| 107 | M | A | -2.0836 | |
| 108 | K | A | -2.9552 | |
| 109 | S | A | -2.2238 | |
| 110 | N | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | -2.8269 | |
| 113 | R | A | -2.0013 | |
| 114 | V | A | 0.0000 | |
| 115 | L | A | -1.3184 | |
| 116 | Q | A | -2.1562 | |
| 117 | F | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | A | A | -1.6142 | |
| 120 | S | A | -1.3959 | |
| 121 | K | A | -2.1134 | |
| 122 | K | A | -2.7247 | |
| 123 | I | A | -1.9193 | |
| 124 | R | A | -2.5686 | |
| 125 | M | A | 0.0000 | |
| 126 | H | A | -1.1108 | |
| 127 | Q | A | -1.6203 | |
| 128 | T | A | -1.2159 | |
| 129 | S | A | -1.4856 | |
| 130 | A | A | -2.0423 | |
| 131 | K | A | -3.1842 | |
| 132 | D | A | -2.2587 | |
| 133 | I | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | E | A | -3.2814 | |
| 136 | G | A | 0.0000 | |
| 137 | N | A | -2.2114 | |
| 138 | L | A | -1.2000 | |
| 139 | K | A | -0.9786 | |
| 140 | S | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | R | A | -0.3088 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | A | A | -0.4880 | |
| 150 | A | A | -0.6245 | |
| 151 | H | A | -1.4659 | |
| 152 | F | A | 0.0000 | |
| 153 | K | A | -1.7775 | |
| 154 | P | A | -1.2351 | |
| 155 | G | A | -1.3555 | |
| 156 | S | A | -1.4610 | |
| 157 | S | A | -1.4361 | |
| 158 | R | A | -1.6507 | |
| 159 | T | A | -0.3779 | |
| 160 | V | A | 0.7265 | |
| 161 | S | A | -0.5250 | |
| 162 | Q | A | -1.6862 | |
| 163 | G | A | -2.1698 | |
| 164 | R | A | -3.2981 | |
| 165 | D | A | -3.3848 | |
| 166 | S | A | -2.3748 | |
| 167 | K | A | -2.1906 | |
| 168 | A | A | -0.6013 | |
| 169 | P | A | 0.0513 | |
| 170 | V | A | 1.0440 | |
| 171 | Q | A | -0.7330 | |
| 172 | S | A | -1.2316 | |
| 173 | H | A | -1.9812 | |
| 174 | Q | A | -2.0211 | |
| 175 | P | A | -1.3749 | |
| 176 | H | A | -0.9042 | |
| 177 | C | A | 0.2275 | |
| 178 | A | A | 0.5090 | |
| 179 | T | A | 0.2315 | |
| 180 | A | A | 0.3865 | |
| 181 | V | A | 1.3048 | |
| 182 | A | A | 0.3242 | |
| 183 | Q | A | -0.5829 | |
| 184 | G | A | -0.0595 | |
| 185 | A | A | 0.2541 | |
| 186 | A | A | 0.2744 | |
| 187 | A | A | 0.1297 | |
| 188 | A | A | 0.3390 | |
| 189 | L | A | 1.2278 | |
| 190 | A | A | 0.2709 | |
| 191 | D | A | -0.9420 | |
| 192 | V | A | 0.7685 | |
| 193 | C | A | 0.4333 | |
| 194 | H | A | -1.4693 | |
| 195 | D | A | -1.8119 | |
| 196 | V | A | -0.0653 | |
| 197 | S | A | -1.5450 | |
| 198 | R | A | -2.7085 | |
| 199 | S | A | -1.4508 | |
| 200 | G | A | -1.0657 | |
| 201 | R | A | -1.7371 | |
| 202 | D | A | -1.2669 | |
| 203 | V | A | 0.8378 | |
| 204 | F | A | 0.4834 | |
| 205 | R | A | -1.5940 | |
| 206 | Y | A | -0.6502 | |
| 207 | R | A | -2.0947 | |
| 208 | Q | A | -2.7720 | |
| 209 | R | A | -3.2656 | |
| 210 | N | A | -2.8000 | |
| 211 | A | A | -1.9670 | |
| 212 | S | A | -0.7426 | |
| 213 | V | A | 0.5315 | |
| 214 | D | A | -1.7399 | |
| 215 | G | A | -1.5581 | |
| 216 | E | A | -1.9739 | |
| 217 | I | A | -0.1848 | |
| 218 | E | A | -1.7206 | |
| 219 | N | A | -1.5991 | |
| 220 | P | A | -0.2003 | |
| 221 | Y | A | 1.1559 | |
| 222 | W | A | 1.4392 | |
| 223 | S | A | 0.8718 | |
| 224 | V | A | 1.3223 | |
| 225 | R | A | -0.9303 | |
| 226 | A | A | -0.1126 | |
| 227 | L | A | 0.5291 | |
| 228 | V | A | -0.1477 | |
| 229 | Q | A | -1.7803 | |
| 230 | Q | A | -1.3912 | |
| 231 | Y | A | -0.5722 | |
| 232 | E | A | -2.6460 | |
| 233 | G | A | -2.6080 | |
| 234 | Q | A | -2.9273 | |
| 235 | Q | A | -3.0240 | |
| 236 | K | A | -3.0513 | |
| 237 | S | A | -1.8608 | |
| 238 | P | A | -1.2224 | |
| 239 | S | A | -1.4865 | |
| 240 | E | A | -2.0923 | |
| 241 | S | A | -1.2837 | |
| 242 | S | A | -0.4061 | |
| 243 | C | A | 0.2408 | |
| 244 | S | A | 0.3196 | |
| 245 | S | A | 0.5525 | |
| 246 | L | A | 1.3247 | |
| 247 | T | A | 0.4771 | |
| 248 | S | A | -0.1631 | |
| 249 | P | A | -0.5505 | |
| 250 | S | A | -0.0608 | |
| 251 | P | A | 0.4163 | |
| 252 | I | A | 1.3106 | |
| 253 | H | A | -0.1716 | |
| 254 | S | A | -0.6313 | |
| 255 | A | A | -1.1219 | |
| 256 | K | A | -2.1779 | |
| 257 | S | A | -1.9891 | |
| 258 | E | A | -1.9684 | |
| 259 | S | A | 0.2638 | |
| 260 | I | A | 2.5488 | |
| 261 | I | A | 2.7165 | |
| 262 | T | A | 0.4154 | |
| 263 | Q | A | -1.3875 | |
| 264 | A | A | -1.8890 | |
| 265 | E | A | -3.5001 | |
| 266 | E | A | -3.7422 | |
| 267 | K | A | -3.1827 | |
| 268 | A | A | -1.9434 | |
| 269 | D | A | -0.6256 | |
| 270 | F | A | 2.0151 | |
| 271 | V | A | 3.7421 | |
| 272 | I | A | 4.1803 | |
| 273 | I | A | 3.1886 | |
| 274 | P | A | 0.6264 | |
| 275 | S | A | -0.8931 | |
| 276 | E | A | -1.8812 | |
| 277 | G | A | -0.8658 | |
| 278 | I | A | -0.1418 | |
| 279 | E | A | -2.2851 | |
| 280 | N | A | -3.0160 | |
| 281 | R | A | -3.2454 | |
| 282 | T | A | -2.9979 | |
| 283 | D | A | -3.4070 | |
| 284 | E | A | -3.2915 | |
| 285 | P | A | -2.6244 | |
| 286 | D | A | -2.4536 | |
| 287 | S | A | -1.3012 | |
| 288 | P | A | -0.8559 | |
| 289 | S | A | -0.8641 | |
| 290 | S | A | -1.7315 | |
| 291 | R | A | -2.6448 | |
| 292 | D | A | -2.5365 | |
| 293 | W | A | -0.9658 | |
| 294 | R | A | -1.8550 | |
| 295 | P | A | -1.4273 | |
| 296 | G | A | -1.4897 | |
| 297 | S | A | -1.7164 | |
| 298 | R | A | -2.1736 | |
| 299 | G | A | -0.9755 | |
| 300 | T | A | 0.0109 | |
| 301 | Y | A | 1.2312 | |
| 302 | L | A | 1.3714 | |
| 303 | E | A | -0.9182 | |
| 304 | A | A | -0.6523 | |
| 305 | T | A | -0.4747 | |
| 306 | W | A | -0.1212 | |
| 307 | E | A | -1.5937 | |
| 308 | E | A | -2.5248 | |
| 309 | Q | A | -2.0541 | |
| 310 | L | A | -0.5078 | |
| 311 | L | A | -0.9331 | |
| 312 | E | A | -3.2209 | |
| 313 | Q | A | -2.9973 | |
| 314 | Q | A | -3.2693 | |
| 315 | E | A | -4.0500 | |
| 316 | H | A | -3.5316 | |
| 317 | L | A | -2.9640 | |
| 318 | E | A | -4.5405 | |
| 319 | K | A | -5.0831 | |
| 320 | E | A | -4.6088 | |
| 321 | M | A | -3.2575 | |
| 322 | E | A | -4.5639 | |
| 323 | E | A | -4.3284 | |
| 324 | A | A | -2.6282 | |
| 325 | K | A | -3.0104 | |
| 326 | K | A | -2.7322 | |
| 327 | M | A | -0.0396 | |
| 328 | I | A | 0.6474 | |
| 329 | S | A | -0.0310 | |
| 330 | G | A | 0.0000 | |
| 331 | L | A | 1.6452 | |
| 332 | Q | A | 0.9117 | |
| 333 | A | A | 0.9396 | |
| 334 | L | A | 1.6777 | |
| 335 | L | A | 2.1457 | |
| 336 | L | A | 1.7102 | |
| 337 | N | A | -0.1092 | |
| 338 | G | A | 0.1368 | |
| 339 | S | A | -0.6835 | |
| 340 | L | A | -0.8398 | |
| 341 | P | A | -2.2203 | |
| 342 | E | A | -3.7671 | |
| 343 | D | A | -4.6541 | |
| 344 | E | A | -4.8845 | |
| 345 | Q | A | -4.6035 | |
| 346 | E | A | -4.5041 | |
| 347 | R | A | -3.6162 | |
| 348 | P | A | -1.3133 | |
| 349 | V | A | 1.1517 | |
| 350 | A | A | 0.6004 | |
| 351 | L | A | 1.2043 | |
| 352 | C | A | 0.2151 | |
| 353 | E | A | -1.5148 | |
| 354 | P | A | -1.0267 | |
| 355 | G | A | -0.8558 | |
| 356 | V | A | -0.8918 | |
| 357 | N | A | -1.4802 | |
| 358 | P | A | -0.8373 | |
| 359 | E | A | -1.4028 | |
| 360 | E | A | -0.9430 | |
| 361 | Q | A | 0.2537 | |
| 362 | L | A | 1.1091 | |
| 363 | I | A | 1.6679 | |
| 364 | I | A | 1.6312 | |
| 365 | I | A | 0.5197 | |
| 366 | R | A | -0.7839 | |
| 367 | S | A | -0.5915 | |
| 368 | R | A | -1.6029 | |
| 369 | L | A | -0.7557 | |
| 370 | D | A | -1.9152 | |
| 371 | Q | A | -2.9745 | |
| 372 | S | A | -2.2632 | |
| 373 | V | A | -1.1334 | |
| 374 | E | A | -3.6831 | |
| 375 | E | A | -4.0379 | |
| 376 | N | A | -3.4576 | |
| 377 | Q | A | -4.0648 | |
| 378 | D | A | -4.2926 | |
| 379 | L | A | -2.7252 | |
| 380 | K | A | -3.5536 | |
| 381 | K | A | -3.9487 | |
| 382 | E | A | -3.3307 | |
| 383 | L | A | -1.6569 | |
| 384 | L | A | -1.2937 | |
| 385 | K | A | -3.0197 | |
| 386 | C | A | -2.1888 | |
| 387 | K | A | -2.6891 | |
| 388 | Q | A | -3.2522 | |
| 389 | E | A | -2.9451 | |
| 390 | A | A | -2.2455 | |
| 391 | R | A | -3.5348 | |
| 392 | N | A | -2.2993 | |
| 393 | L | A | -1.3384 | |
| 394 | Q | A | -2.5801 | |
| 395 | G | A | -1.9270 | |
| 396 | I | A | -0.5644 | |
| 397 | K | A | -2.7525 | |
| 398 | D | A | -2.9820 | |
| 399 | A | A | -1.6147 | |
| 400 | L | A | -1.3441 | |
| 401 | Q | A | -2.5418 | |
| 402 | Q | A | -2.8938 | |
| 403 | R | A | -3.1597 | |
| 404 | L | A | -1.3851 | |
| 405 | T | A | -2.0155 | |
| 406 | Q | A | -2.7131 | |
| 407 | Q | A | -2.6652 | |
| 408 | D | A | -2.0831 | |
| 409 | T | A | -1.2985 | |
| 410 | S | A | -0.9561 | |
| 411 | V | A | -0.4798 | |
| 412 | L | A | -0.0246 | |
| 413 | Q | A | -0.9030 | |
| 414 | L | A | 0.1240 | |
| 415 | K | A | -0.9455 | |
| 416 | Q | A | -1.4178 | |
| 417 | E | A | -1.0597 | |
| 418 | L | A | 0.2901 | |
| 419 | L | A | -0.1438 | |
| 420 | R | A | -2.0847 | |
| 421 | A | A | -1.9429 | |
| 422 | N | A | -1.9129 | |
| 423 | M | A | -1.7767 | |
| 424 | D | A | -3.2862 | |
| 425 | K | A | -3.4442 | |
| 426 | D | A | -4.2885 | |
| 427 | E | A | -3.9285 | |
| 428 | L | A | -2.6232 | |
| 429 | H | A | -3.1719 | |
| 430 | N | A | -3.5482 | |
| 431 | Q | A | -3.2688 | |
| 432 | N | A | -2.8610 | |
| 433 | V | A | -1.4639 | |
| 434 | D | A | -3.0320 | |
| 435 | L | A | -2.2477 | |
| 436 | Q | A | -3.1985 | |
| 437 | R | A | -4.3879 | |
| 438 | K | A | -4.3047 | |
| 439 | L | A | -2.9455 | |
| 440 | E | A | -4.7199 | |
| 441 | E | A | -4.6191 | |
| 442 | R | A | -4.2597 | |
| 443 | N | A | -3.5950 | |
| 444 | R | A | -3.4747 | |
| 445 | L | A | -1.6653 | |
| 446 | L | A | -1.2557 | |
| 447 | G | A | -2.0796 | |
| 448 | E | A | -2.2566 | |
| 449 | Y | A | -0.9940 | |
| 450 | K | A | -2.6632 | |
| 451 | K | A | -3.5111 | |
| 452 | E | A | -3.2192 | |
| 453 | L | A | -2.4399 | |
| 454 | G | A | -3.0386 | |
| 455 | Q | A | -3.0695 | |
| 456 | K | A | -2.6877 | |
| 457 | D | A | -3.1265 | |
| 458 | R | A | -2.9737 | |
| 459 | L | A | -0.8055 | |
| 460 | F | A | -0.7695 | |
| 461 | Q | A | -2.4511 | |
| 462 | Q | A | -2.5606 | |
| 463 | Q | A | -2.6633 | |
| 464 | Q | A | -2.7435 | |
| 465 | A | A | -2.5352 | |
| 466 | K | A | -3.2883 | |
| 467 | L | A | -1.9442 | |
| 468 | E | A | -3.1240 | |
| 469 | E | A | -3.5794 | |
| 470 | A | A | -1.7240 | |
| 471 | L | A | -0.7494 | |
| 472 | R | A | -2.8140 | |
| 473 | K | A | -2.0239 | |
| 474 | L | A | 0.0053 | |
| 475 | S | A | -0.6265 | |
| 476 | D | A | -1.1059 | |
| 477 | A | A | -0.5764 | |
| 478 | S | A | -0.0629 | |
| 479 | Y | A | 0.5266 | |
| 480 | Q | A | -0.9567 | |
| 481 | Q | A | -1.2287 | |
| 482 | V | A | 0.0935 | |
| 483 | D | A | -1.5564 | |
| 484 | L | A | -0.8745 | |
| 485 | E | A | -2.3087 | |
| 486 | R | A | -3.9186 | |
| 487 | E | A | -3.6831 | |
| 488 | L | A | -2.2059 | |
| 489 | E | A | -3.6192 | |
| 490 | Q | A | -3.0291 | |
| 491 | K | A | -2.8570 | |
| 492 | D | A | -2.1786 | |
| 493 | V | A | 0.2036 | |
| 494 | L | A | 1.0360 | |
| 495 | L | A | 0.7546 | |
| 496 | A | A | 0.2717 | |
| 497 | H | A | -0.4626 | |
| 498 | C | A | 0.2641 | |
| 499 | M | A | -0.3573 | |
| 500 | K | A | -2.2933 | |
| 501 | G | A | -2.4461 | |
| 502 | E | A | -3.0591 | |
| 503 | T | A | -2.4079 | |
| 504 | D | A | -3.1439 | |
| 505 | E | A | -2.3171 | |
| 506 | V | A | 0.1192 | |
| 507 | T | A | -0.2227 | |
| 508 | N | A | -0.5547 | |
| 509 | Y | A | 0.1897 | |
| 510 | N | A | -1.2198 | |
| 511 | S | A | -1.1777 | |
| 512 | H | A | -1.5231 | |
| 513 | S | A | -1.0895 | |
| 514 | S | A | -1.7113 | |
| 515 | Q | A | -2.6310 | |
| 516 | R | A | -2.9978 | |
| 517 | N | A | -2.1267 | |
| 518 | G | A | -0.4016 | |
| 519 | F | A | 2.4410 | |
| 520 | V | A | 3.3637 | |
| 521 | L | A | 3.1177 | |
| 522 | P | A | 1.9264 | |
| 523 | V | A | 1.9117 | |
| 524 | A | A | 0.0950 | |
| 525 | G | A | -1.0041 | |
| 526 | R | A | -2.0709 | |
| 527 | G | A | -1.4487 | |
| 528 | A | A | -0.7153 | |
| 529 | T | A | 0.1957 | |
| 530 | T | A | 0.6425 | |
| 531 | V | A | 1.2946 | |
| 532 | T | A | -0.1048 | |
| 533 | H | A | -1.6664 | |
| 534 | R | A | -2.5677 | |
| 535 | G | A | -2.1600 | |
| 536 | P | A | -1.8961 | |
| 537 | Q | A | -2.2449 | |
| 538 | T | A | -1.6193 | |
| 539 | S | A | -1.5644 | |
| 540 | D | A | -1.9086 | |
| 541 | L | A | -0.9597 | |
| 542 | Q | A | -0.9807 | |
| 543 | L | A | 0.0494 | |
| 544 | V | A | -0.5216 | |
| 545 | R | A | -2.0140 | |
| 546 | D | A | -1.7268 | |
| 547 | A | A | -0.9018 | |
| 548 | L | A | 0.0000 | |
| 549 | R | A | -2.7068 | |
| 550 | S | A | -1.7286 | |
| 551 | L | A | -1.0156 | |
| 552 | R | A | -1.9489 | |
| 553 | N | A | -1.9302 | |
| 554 | S | A | -0.9445 | |
| 555 | F | A | -0.6850 | |
| 556 | S | A | -1.1035 | |
| 557 | G | A | -1.4027 | |
| 558 | H | A | -1.5308 | |
| 559 | D | A | -1.4721 | |
| 560 | P | A | -1.3379 | |
| 561 | Q | A | -1.6573 | |
| 562 | H | A | -1.7007 | |
| 563 | H | A | -1.8323 | |
| 564 | T | A | -1.3801 | |
| 565 | I | A | 0.0000 | |
| 566 | D | A | -2.0439 | |
| 567 | S | A | -1.3601 | |
| 568 | L | A | -0.4637 | |
| 569 | E | A | -1.7952 | |
| 570 | Q | A | -1.6243 | |
| 571 | G | A | -0.7552 | |
| 572 | I | A | -0.5263 | |
| 573 | S | A | -0.9284 | |
| 574 | S | A | -1.0434 | |
| 575 | L | A | 0.0406 | |
| 576 | M | A | -0.4915 | |
| 577 | E | A | -2.0838 | |
| 578 | R | A | -1.6977 | |
| 579 | L | A | -0.4827 | |
| 580 | H | A | -1.5820 | |
| 581 | V | A | -0.5347 | |
| 582 | V | A | -1.2231 | |
| 583 | E | A | -2.8040 | |
| 584 | T | A | -2.3309 | |
| 585 | Q | A | -3.0441 | |
| 586 | K | A | -4.5028 | |
| 587 | K | A | -4.1317 | |
| 588 | Q | A | -4.3240 | |
| 589 | E | A | -4.4480 | |
| 590 | R | A | -4.3731 | |
| 591 | K | A | -3.2649 | |
| 592 | V | A | -0.7191 | |
| 593 | G | A | -1.3358 | |
| 594 | G | A | -1.2016 | |
| 595 | R | A | -2.3298 | |
| 596 | S | A | -1.7931 | |
| 597 | P | A | -1.9307 | |
| 598 | R | A | -2.8773 | |
| 599 | N | A | -2.8543 | |
| 600 | Q | A | -2.3082 | |
| 601 | A | A | -0.9276 | |
| 602 | S | A | -0.9165 | |
| 603 | S | A | -1.1093 | |
| 604 | E | A | -1.7467 | |
| 605 | Y | A | -0.7306 | |
| 606 | R | A | -1.7045 | |
| 607 | A | A | -0.7411 | |
| 608 | S | A | 0.0033 | |
| 609 | W | A | 0.9108 | |
| 610 | P | A | -0.1404 | |
| 611 | P | A | -0.7565 | |
| 612 | N | A | -1.5861 | |
| 613 | S | A | -0.7435 | |
| 614 | T | A | 0.2361 | |
| 615 | L | A | 1.0951 | |
| 616 | P | A | -0.0157 | |
| 617 | H | A | -1.0935 | |
| 618 | S | A | -1.2146 | |
| 619 | Q | A | -1.6348 | |
| 620 | S | A | -0.9926 | |
| 621 | S | A | -0.4936 | |
| 622 | P | A | -0.0276 | |
| 623 | A | A | 0.6945 | |
| 624 | V | A | 1.5680 | |
| 625 | S | A | 0.4394 | |
| 626 | S | A | -0.2901 | |
| 627 | T | A | -0.5476 | |
| 628 | C | A | -1.1204 | |
| 629 | T | A | 0.0000 | |
| 630 | K | A | -1.5069 | |
| 631 | V | A | 0.0000 | |
| 632 | L | A | 0.8454 | |
| 633 | Y | A | 1.3315 | |
| 634 | F | A | 0.7104 | |
| 635 | T | A | 0.0000 | |
| 636 | D | A | -2.5644 | |
| 637 | R | A | -2.5068 | |
| 638 | S | A | -0.5013 | |
| 639 | L | A | 0.9790 | |
| 640 | T | A | 0.6926 | |
| 641 | P | A | 1.2192 | |
| 642 | F | A | 1.9568 | |
| 643 | M | A | 1.4321 | |
| 644 | V | A | 0.2945 | |
| 645 | N | A | -1.3607 | |
| 646 | I | A | 0.0000 | |
| 647 | P | A | -1.2341 | |
| 648 | K | A | -1.9436 | |
| 649 | R | A | -2.0943 | |
| 650 | L | A | -1.1945 | |
| 651 | G | A | -1.4520 | |
| 652 | E | A | -2.3306 | |
| 653 | V | A | 0.0000 | |
| 654 | T | A | -2.4839 | |
| 655 | L | A | 0.0000 | |
| 656 | K | A | -3.3402 | |
| 657 | D | A | -2.1158 | |
| 658 | F | A | 0.0000 | |
| 659 | K | A | -2.4500 | |
| 660 | A | A | -1.5181 | |
| 661 | A | A | -1.2091 | |
| 662 | I | A | 0.0000 | |
| 663 | D | A | -2.6599 | |
| 664 | R | A | -2.6572 | |
| 665 | E | A | -3.0458 | |
| 666 | G | A | -2.4384 | |
| 667 | N | A | -2.8453 | |
| 668 | H | A | -2.2766 | |
| 669 | R | A | -1.2310 | |
| 670 | Y | A | 0.0000 | |
| 671 | H | A | 0.0000 | |
| 672 | F | A | 0.0000 | |
| 673 | K | A | -1.0552 | |
| 674 | A | A | 0.0000 | |
| 675 | L | A | 0.8888 | |
| 676 | D | A | -0.1593 | |
| 677 | P | A | -0.4742 | |
| 678 | E | A | -0.9667 | |
| 679 | F | A | 1.0955 | |
| 680 | G | A | 0.5682 | |
| 681 | T | A | 0.1921 | |
| 682 | V | A | -0.4539 | |
| 683 | K | A | -2.0471 | |
| 684 | E | A | -1.7309 | |
| 685 | E | A | -1.0707 | |
| 686 | V | A | 0.0000 | |
| 687 | F | A | 0.4887 | |
| 688 | H | A | -1.7651 | |
| 689 | D | A | -3.2167 | |
| 690 | D | A | -3.3830 | |
| 691 | D | A | -2.3303 | |
| 692 | A | A | -1.7343 | |
| 693 | I | A | 0.0000 | |
| 694 | P | A | -0.4652 | |
| 695 | G | A | -0.8215 | |
| 696 | W | A | -0.9113 | |
| 697 | E | A | -2.2548 | |
| 698 | G | A | -1.8874 | |
| 699 | K | A | -1.8513 | |
| 700 | I | A | 0.0000 | |
| 701 | V | A | -0.2638 | |
| 702 | A | A | 0.0000 | |
| 703 | W | A | -0.4956 | |
| 704 | V | A | 0.0000 | |
| 705 | E | A | -2.3253 | |
| 706 | E | A | -2.7920 | |
| 707 | D | A | -2.7167 | |
| 708 | H | A | -3.2260 | |
| 709 | R | A | -3.8130 | |
| 710 | E | A | -3.6290 | |
| 711 | N | A | -2.6761 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.9491 | 7.3407 | View | CSV | PDB |
| 4.5 | -1.0669 | 7.2711 | View | CSV | PDB |
| 5.0 | -1.2197 | 7.1933 | View | CSV | PDB |
| 5.5 | -1.3784 | 7.1189 | View | CSV | PDB |
| 6.0 | -1.513 | 7.0523 | View | CSV | PDB |
| 6.5 | -1.6025 | 6.9871 | View | CSV | PDB |
| 7.0 | -1.6425 | 6.9139 | View | CSV | PDB |
| 7.5 | -1.6458 | 6.8323 | View | CSV | PDB |
| 8.0 | -1.6284 | 6.7488 | View | CSV | PDB |
| 8.5 | -1.5974 | 6.672 | View | CSV | PDB |
| 9.0 | -1.5522 | 6.6128 | 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