| Chain sequence(s) | MAGAKAYRLGAVLLLIHLIFLISGAEAASFQRNQLLQKEPDLRLENVQKFPSPEMIRALEYIEKLRQQAHREESSPDYNPYQGVSVPLQLKENGEESHLAESSRDALSEDEWMRIILEALRQAENEPPSAPKENKPYALNLEKNFPVDTPDDYETQQWPERKLKHMRFPLMYEENSRENPFKRTNEIVEEQYTPQSLATLESVFQELGKLTGPSNQKRERVDEEQKLYTDDEDDVYKTNNIAYEDVVGGEDWSPIEEKIETQTQEEVRDSKENTEKNEQINEEMKRSGQLGLPDEENRRESKDQLSEDASKVITYLRRLVNAVGSGRSQSGPNGDRAARLLQKPLDSQSIYQLIEISRNLQIPPEDLIEMLKAGEKPNGLVEPEQDLELAVDLDDIPEADLDRPDMFQSKMLSKGGYPKAPGRGMVEALPDGLSVEDILNVLGMENVVNQKSPYFPNQYSQDKALMRLPYGPGKSRANQIPKVAWIPDVESRQAPYENLNDQELGEYLARMLVKYPELLNTNQLKRVPSPVSSEDDLQEEEQLEQAIKEHLGPGSSQEMERLAKVSKRIPVGSLKNEDTPNRQYLDEDMLLKVLEYLNQEQAEQGREHLAKRAMENM 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] (00:00:01)
[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 (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:32)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/37882915aa3e9e/tmp/folded.pdb (00:16:32)
[INFO] Main: Simulation completed successfully. (00:25:35)
|
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 | 0.7459 | |
| 2 | A | A | -0.0404 | |
| 3 | G | A | -0.5484 | |
| 4 | A | A | -0.5664 | |
| 5 | K | A | -1.5427 | |
| 6 | A | A | -0.4226 | |
| 7 | Y | A | 0.4693 | |
| 8 | R | A | -0.7157 | |
| 9 | L | A | 1.5179 | |
| 10 | G | A | 1.2968 | |
| 11 | A | A | 1.9203 | |
| 12 | V | A | 2.9306 | |
| 13 | L | A | 2.9736 | |
| 14 | L | A | 3.6345 | |
| 15 | L | A | 4.0323 | |
| 16 | I | A | 3.4741 | |
| 17 | H | A | 2.8817 | |
| 18 | L | A | 3.9581 | |
| 19 | I | A | 4.1834 | |
| 20 | F | A | 4.2056 | |
| 21 | L | A | 3.6970 | |
| 22 | I | A | 3.2244 | |
| 23 | S | A | 1.5759 | |
| 24 | G | A | 0.9950 | |
| 25 | A | A | 0.4036 | |
| 26 | E | A | -0.9333 | |
| 27 | A | A | -0.3114 | |
| 28 | A | A | -0.2606 | |
| 29 | S | A | -0.2640 | |
| 30 | F | A | 0.5453 | |
| 31 | Q | A | -1.3106 | |
| 32 | R | A | -2.2955 | |
| 33 | N | A | -1.9776 | |
| 34 | Q | A | -1.5923 | |
| 35 | L | A | 0.3430 | |
| 36 | L | A | 0.1314 | |
| 37 | Q | A | -1.8381 | |
| 38 | K | A | -2.7139 | |
| 39 | E | A | -3.1902 | |
| 40 | P | A | -2.3832 | |
| 41 | D | A | -1.9046 | |
| 42 | L | A | -0.3537 | |
| 43 | R | A | -1.2784 | |
| 44 | L | A | 0.0144 | |
| 45 | E | A | -1.6456 | |
| 46 | N | A | -1.3951 | |
| 47 | V | A | 0.2040 | |
| 48 | Q | A | -0.9913 | |
| 49 | K | A | -1.5445 | |
| 50 | F | A | 0.9902 | |
| 51 | P | A | -0.0111 | |
| 52 | S | A | -0.4955 | |
| 53 | P | A | -0.7303 | |
| 54 | E | A | -2.0301 | |
| 55 | M | A | -0.0583 | |
| 56 | I | A | 0.1949 | |
| 57 | R | A | -1.8175 | |
| 58 | A | A | -0.5297 | |
| 59 | L | A | 0.1643 | |
| 60 | E | A | -1.9316 | |
| 61 | Y | A | -0.3470 | |
| 62 | I | A | -0.6176 | |
| 63 | E | A | -3.1191 | |
| 64 | K | A | -3.1631 | |
| 65 | L | A | -2.0968 | |
| 66 | R | A | -3.6176 | |
| 67 | Q | A | -4.3673 | |
| 68 | Q | A | -4.1640 | |
| 69 | A | A | -3.7157 | |
| 70 | H | A | -4.4387 | |
| 71 | R | A | -4.6984 | |
| 72 | E | A | -4.3880 | |
| 73 | E | A | -4.0596 | |
| 74 | S | A | -2.8264 | |
| 75 | S | A | -1.8987 | |
| 76 | P | A | -1.3336 | |
| 77 | D | A | -1.7417 | |
| 78 | Y | A | -0.1823 | |
| 79 | N | A | -1.1894 | |
| 80 | P | A | -0.4361 | |
| 81 | Y | A | 0.5054 | |
| 82 | Q | A | -0.6927 | |
| 83 | G | A | 0.2666 | |
| 84 | V | A | 1.6698 | |
| 85 | S | A | 1.3869 | |
| 86 | V | A | 2.1566 | |
| 87 | P | A | 1.3265 | |
| 88 | L | A | 1.4266 | |
| 89 | Q | A | 0.1090 | |
| 90 | L | A | -0.1504 | |
| 91 | K | A | -2.1739 | |
| 92 | E | A | -3.0894 | |
| 93 | N | A | -3.0755 | |
| 94 | G | A | -2.8630 | |
| 95 | E | A | -3.2667 | |
| 96 | E | A | -2.9746 | |
| 97 | S | A | -1.7069 | |
| 98 | H | A | -0.9742 | |
| 99 | L | A | 0.3501 | |
| 100 | A | A | -0.4561 | |
| 101 | E | A | -1.9604 | |
| 102 | S | A | -1.6247 | |
| 103 | S | A | -2.0039 | |
| 104 | R | A | -2.8261 | |
| 105 | D | A | -2.3600 | |
| 106 | A | A | -0.7792 | |
| 107 | L | A | 0.0006 | |
| 108 | S | A | -1.2123 | |
| 109 | E | A | -2.2791 | |
| 110 | D | A | -2.7295 | |
| 111 | E | A | -1.6696 | |
| 112 | W | A | -0.1153 | |
| 113 | M | A | -0.7429 | |
| 114 | R | A | -1.8898 | |
| 115 | I | A | -0.1718 | |
| 116 | I | A | 0.2092 | |
| 117 | L | A | -0.4093 | |
| 118 | E | A | -2.2234 | |
| 119 | A | A | -1.2279 | |
| 120 | L | A | -1.1962 | |
| 121 | R | A | -3.4147 | |
| 122 | Q | A | -3.5598 | |
| 123 | A | A | -2.8026 | |
| 124 | E | A | -3.9983 | |
| 125 | N | A | -4.0936 | |
| 126 | E | A | -3.7322 | |
| 127 | P | A | -2.2179 | |
| 128 | P | A | -1.3463 | |
| 129 | S | A | -0.9496 | |
| 130 | A | A | -0.8692 | |
| 131 | P | A | -1.7260 | |
| 132 | K | A | -3.2311 | |
| 133 | E | A | -3.8100 | |
| 134 | N | A | -3.3352 | |
| 135 | K | A | -2.7671 | |
| 136 | P | A | -0.7758 | |
| 137 | Y | A | 0.9277 | |
| 138 | A | A | 1.1279 | |
| 139 | L | A | 1.4161 | |
| 140 | N | A | -0.3421 | |
| 141 | L | A | -0.1497 | |
| 142 | E | A | -2.2631 | |
| 143 | K | A | -2.6848 | |
| 144 | N | A | -1.3352 | |
| 145 | F | A | 0.8569 | |
| 146 | P | A | 0.8571 | |
| 147 | V | A | 1.0142 | |
| 148 | D | A | -0.7595 | |
| 149 | T | A | -1.1077 | |
| 150 | P | A | -1.7995 | |
| 151 | D | A | -2.7816 | |
| 152 | D | A | -2.6915 | |
| 153 | Y | A | -1.1495 | |
| 154 | E | A | -2.3189 | |
| 155 | T | A | -1.6772 | |
| 156 | Q | A | -1.7786 | |
| 157 | Q | A | -1.7695 | |
| 158 | W | A | -0.4355 | |
| 159 | P | A | -1.6965 | |
| 160 | E | A | -2.9846 | |
| 161 | R | A | -3.3062 | |
| 162 | K | A | -3.0277 | |
| 163 | L | A | -0.9410 | |
| 164 | K | A | -2.1465 | |
| 165 | H | A | -1.4299 | |
| 166 | M | A | -0.0232 | |
| 167 | R | A | -0.7538 | |
| 168 | F | A | 1.5982 | |
| 169 | P | A | 1.5027 | |
| 170 | L | A | 2.1417 | |
| 171 | M | A | 1.8828 | |
| 172 | Y | A | 0.5828 | |
| 173 | E | A | -2.0198 | |
| 174 | E | A | -3.2566 | |
| 175 | N | A | -3.4365 | |
| 176 | S | A | -3.1280 | |
| 177 | R | A | -3.7754 | |
| 178 | E | A | -3.6460 | |
| 179 | N | A | -2.5207 | |
| 180 | P | A | -1.1138 | |
| 181 | F | A | -0.0355 | |
| 182 | K | A | -2.3856 | |
| 183 | R | A | -2.5444 | |
| 184 | T | A | -1.2830 | |
| 185 | N | A | -2.4415 | |
| 186 | E | A | -2.9919 | |
| 187 | I | A | -0.6442 | |
| 188 | V | A | -0.7219 | |
| 189 | E | A | -2.5208 | |
| 190 | E | A | -2.4004 | |
| 191 | Q | A | -1.0194 | |
| 192 | Y | A | 0.2590 | |
| 193 | T | A | -0.7087 | |
| 194 | P | A | -0.6968 | |
| 195 | Q | A | -1.3451 | |
| 196 | S | A | -0.9231 | |
| 197 | L | A | 0.2492 | |
| 198 | A | A | -0.1552 | |
| 199 | T | A | -0.1587 | |
| 200 | L | A | 0.2049 | |
| 201 | E | A | -1.1217 | |
| 202 | S | A | -0.5581 | |
| 203 | V | A | 0.4257 | |
| 204 | F | A | 0.8128 | |
| 205 | Q | A | -1.4987 | |
| 206 | E | A | -1.6298 | |
| 207 | L | A | 0.0383 | |
| 208 | G | A | -0.9012 | |
| 209 | K | A | -1.5554 | |
| 210 | L | A | 0.3807 | |
| 211 | T | A | -0.1615 | |
| 212 | G | A | -1.0096 | |
| 213 | P | A | -1.0397 | |
| 214 | S | A | -2.1866 | |
| 215 | N | A | -3.3831 | |
| 216 | Q | A | -3.8443 | |
| 217 | K | A | -4.3289 | |
| 218 | R | A | -4.5179 | |
| 219 | E | A | -4.3533 | |
| 220 | R | A | -3.4586 | |
| 221 | V | A | -1.4189 | |
| 222 | D | A | -3.1060 | |
| 223 | E | A | -3.9351 | |
| 224 | E | A | -3.4777 | |
| 225 | Q | A | -3.0473 | |
| 226 | K | A | -2.3137 | |
| 227 | L | A | -0.1350 | |
| 228 | Y | A | 0.3418 | |
| 229 | T | A | -1.4871 | |
| 230 | D | A | -3.4684 | |
| 231 | D | A | -4.1963 | |
| 232 | E | A | -4.0494 | |
| 233 | D | A | -3.9116 | |
| 234 | D | A | -3.6840 | |
| 235 | V | A | -0.9588 | |
| 236 | Y | A | -0.8632 | |
| 237 | K | A | -2.3319 | |
| 238 | T | A | -0.8324 | |
| 239 | N | A | -0.8993 | |
| 240 | N | A | -0.5609 | |
| 241 | I | A | 0.7065 | |
| 242 | A | A | 0.4237 | |
| 243 | Y | A | 0.9300 | |
| 244 | E | A | -1.3800 | |
| 245 | D | A | -1.0719 | |
| 246 | V | A | 1.6812 | |
| 247 | V | A | 1.4654 | |
| 248 | G | A | -0.8285 | |
| 249 | G | A | -1.5371 | |
| 250 | E | A | -2.9097 | |
| 251 | D | A | -2.6855 | |
| 252 | W | A | -0.6068 | |
| 253 | S | A | -1.0382 | |
| 254 | P | A | -0.2397 | |
| 255 | I | A | 0.5110 | |
| 256 | E | A | -1.7304 | |
| 257 | E | A | -2.2489 | |
| 258 | K | A | -1.4490 | |
| 259 | I | A | -0.5885 | |
| 260 | E | A | -2.9447 | |
| 261 | T | A | -2.5888 | |
| 262 | Q | A | -2.9264 | |
| 263 | T | A | -2.8398 | |
| 264 | Q | A | -3.6319 | |
| 265 | E | A | -4.5777 | |
| 266 | E | A | -4.8228 | |
| 267 | V | A | -3.3503 | |
| 268 | R | A | -4.9815 | |
| 269 | D | A | -5.0614 | |
| 270 | S | A | -4.3681 | |
| 271 | K | A | -4.8245 | |
| 272 | E | A | -5.0614 | |
| 273 | N | A | -4.4491 | |
| 274 | T | A | -4.1577 | |
| 275 | E | A | -4.6970 | |
| 276 | K | A | -4.4572 | |
| 277 | N | A | -4.2915 | |
| 278 | E | A | -4.3206 | |
| 279 | Q | A | -3.6795 | |
| 280 | I | A | -2.1848 | |
| 281 | N | A | -2.9652 | |
| 282 | E | A | -3.8620 | |
| 283 | E | A | -3.1957 | |
| 284 | M | A | -1.7756 | |
| 285 | K | A | -3.2596 | |
| 286 | R | A | -3.2573 | |
| 287 | S | A | -1.7160 | |
| 288 | G | A | -1.6031 | |
| 289 | Q | A | -1.0251 | |
| 290 | L | A | 0.9135 | |
| 291 | G | A | 0.7868 | |
| 292 | L | A | 1.1767 | |
| 293 | P | A | -1.1549 | |
| 294 | D | A | -3.3334 | |
| 295 | E | A | -4.7312 | |
| 296 | E | A | -4.9920 | |
| 297 | N | A | -4.9185 | |
| 298 | R | A | -5.7168 | |
| 299 | R | A | -5.8943 | |
| 300 | E | A | -5.0121 | |
| 301 | S | A | -3.7004 | |
| 302 | K | A | -4.6481 | |
| 303 | D | A | -4.6688 | |
| 304 | Q | A | -3.4364 | |
| 305 | L | A | -1.6006 | |
| 306 | S | A | -2.3875 | |
| 307 | E | A | -3.0221 | |
| 308 | D | A | -1.9707 | |
| 309 | A | A | -0.4168 | |
| 310 | S | A | -0.4694 | |
| 311 | K | A | -0.9196 | |
| 312 | V | A | 1.1014 | |
| 313 | I | A | 1.4162 | |
| 314 | T | A | 0.4790 | |
| 315 | Y | A | 1.2778 | |
| 316 | L | A | 1.2519 | |
| 317 | R | A | -0.7479 | |
| 318 | R | A | -0.8770 | |
| 319 | L | A | 1.0805 | |
| 320 | V | A | 1.1970 | |
| 321 | N | A | -0.7649 | |
| 322 | A | A | -0.0531 | |
| 323 | V | A | 1.0757 | |
| 324 | G | A | -0.3790 | |
| 325 | S | A | -0.5599 | |
| 326 | G | A | -1.1099 | |
| 327 | R | A | -2.4546 | |
| 328 | S | A | -2.0381 | |
| 329 | Q | A | -2.2367 | |
| 330 | S | A | -1.7579 | |
| 331 | G | A | -1.7481 | |
| 332 | P | A | -2.1731 | |
| 333 | N | A | -2.8756 | |
| 334 | G | A | -3.1388 | |
| 335 | D | A | -3.6735 | |
| 336 | R | A | -3.3638 | |
| 337 | A | A | -1.9605 | |
| 338 | A | A | -2.0399 | |
| 339 | R | A | -2.6526 | |
| 340 | L | A | -0.1967 | |
| 341 | L | A | 0.1100 | |
| 342 | Q | A | -1.5257 | |
| 343 | K | A | -1.9361 | |
| 344 | P | A | -0.9003 | |
| 345 | L | A | -0.0594 | |
| 346 | D | A | -1.6189 | |
| 347 | S | A | -0.8582 | |
| 348 | Q | A | -1.1129 | |
| 349 | S | A | -0.4367 | |
| 350 | I | A | 0.8879 | |
| 351 | Y | A | 0.7264 | |
| 352 | Q | A | -0.4947 | |
| 353 | L | A | 0.0452 | |
| 354 | I | A | -0.1091 | |
| 355 | E | A | -1.1142 | |
| 356 | I | A | -0.2388 | |
| 357 | S | A | 0.0000 | |
| 358 | R | A | -2.4942 | |
| 359 | N | A | -1.7521 | |
| 360 | L | A | -0.3341 | |
| 361 | Q | A | -1.4639 | |
| 362 | I | A | -0.8571 | |
| 363 | P | A | -1.4325 | |
| 364 | P | A | -1.3024 | |
| 365 | E | A | -2.4716 | |
| 366 | D | A | -2.5329 | |
| 367 | L | A | -0.9220 | |
| 368 | I | A | -1.2938 | |
| 369 | E | A | -2.5780 | |
| 370 | M | A | -1.0907 | |
| 371 | L | A | -0.9774 | |
| 372 | K | A | -2.5462 | |
| 373 | A | A | -1.9920 | |
| 374 | G | A | -2.1958 | |
| 375 | E | A | -3.1306 | |
| 376 | K | A | -3.3354 | |
| 377 | P | A | -2.2218 | |
| 378 | N | A | -1.7323 | |
| 379 | G | A | -0.1820 | |
| 380 | L | A | 1.4341 | |
| 381 | V | A | 1.1640 | |
| 382 | E | A | -1.4322 | |
| 383 | P | A | -2.2910 | |
| 384 | E | A | -3.2494 | |
| 385 | Q | A | -2.9357 | |
| 386 | D | A | -2.2920 | |
| 387 | L | A | -0.0166 | |
| 388 | E | A | -0.7052 | |
| 389 | L | A | 1.1436 | |
| 390 | A | A | 0.9676 | |
| 391 | V | A | 1.3047 | |
| 392 | D | A | -0.3100 | |
| 393 | L | A | -0.3359 | |
| 394 | D | A | -1.5793 | |
| 395 | D | A | -1.4630 | |
| 396 | I | A | 0.1264 | |
| 397 | P | A | -1.0546 | |
| 398 | E | A | -2.0624 | |
| 399 | A | A | -1.7314 | |
| 400 | D | A | -2.0747 | |
| 401 | L | A | -0.5710 | |
| 402 | D | A | -2.6057 | |
| 403 | R | A | -3.1157 | |
| 404 | P | A | -2.3907 | |
| 405 | D | A | -1.7048 | |
| 406 | M | A | 0.6921 | |
| 407 | F | A | 1.4795 | |
| 408 | Q | A | -0.4811 | |
| 409 | S | A | -1.0522 | |
| 410 | K | A | -1.2283 | |
| 411 | M | A | 0.7720 | |
| 412 | L | A | 1.2341 | |
| 413 | S | A | -0.2144 | |
| 414 | K | A | -1.8060 | |
| 415 | G | A | -1.3204 | |
| 416 | G | A | -0.6257 | |
| 417 | Y | A | 0.4478 | |
| 418 | P | A | -0.5209 | |
| 419 | K | A | -1.5390 | |
| 420 | A | A | -0.9748 | |
| 421 | P | A | -1.2561 | |
| 422 | G | A | -1.5039 | |
| 423 | R | A | -1.9689 | |
| 424 | G | A | -0.7823 | |
| 425 | M | A | 0.8291 | |
| 426 | V | A | 1.3239 | |
| 427 | E | A | -0.3592 | |
| 428 | A | A | 0.1951 | |
| 429 | L | A | 0.7145 | |
| 430 | P | A | -0.4463 | |
| 431 | D | A | -1.3859 | |
| 432 | G | A | -0.3891 | |
| 433 | L | A | 0.8202 | |
| 434 | S | A | 0.1548 | |
| 435 | V | A | 1.1805 | |
| 436 | E | A | -1.2003 | |
| 437 | D | A | -0.5351 | |
| 438 | I | A | 1.2834 | |
| 439 | L | A | 0.2696 | |
| 440 | N | A | -0.9116 | |
| 441 | V | A | 1.6409 | |
| 442 | L | A | 1.6907 | |
| 443 | G | A | 0.1339 | |
| 444 | M | A | -0.0418 | |
| 445 | E | A | -1.8193 | |
| 446 | N | A | -1.3680 | |
| 447 | V | A | 0.8528 | |
| 448 | V | A | 0.5471 | |
| 449 | N | A | -1.7467 | |
| 450 | Q | A | -2.0011 | |
| 451 | K | A | -2.1486 | |
| 452 | S | A | -0.9296 | |
| 453 | P | A | 0.1687 | |
| 454 | Y | A | 1.5990 | |
| 455 | F | A | 1.9178 | |
| 456 | P | A | 0.2808 | |
| 457 | N | A | -1.0882 | |
| 458 | Q | A | -1.2011 | |
| 459 | Y | A | 0.0067 | |
| 460 | S | A | -1.1609 | |
| 461 | Q | A | -2.4607 | |
| 462 | D | A | -3.1158 | |
| 463 | K | A | -2.5331 | |
| 464 | A | A | -0.3217 | |
| 465 | L | A | 1.1344 | |
| 466 | M | A | 1.2022 | |
| 467 | R | A | -0.2780 | |
| 468 | L | A | 1.0071 | |
| 469 | P | A | 0.7009 | |
| 470 | Y | A | 1.1797 | |
| 471 | G | A | 0.0027 | |
| 472 | P | A | -0.7729 | |
| 473 | G | A | -1.6288 | |
| 474 | K | A | -2.4968 | |
| 475 | S | A | -2.2759 | |
| 476 | R | A | -2.7082 | |
| 477 | A | A | -1.6420 | |
| 478 | N | A | -1.8080 | |
| 479 | Q | A | -1.2787 | |
| 480 | I | A | 0.6787 | |
| 481 | P | A | -0.1434 | |
| 482 | K | A | -0.7304 | |
| 483 | V | A | 1.5069 | |
| 484 | A | A | 1.3587 | |
| 485 | W | A | 2.2754 | |
| 486 | I | A | 2.5477 | |
| 487 | P | A | 0.4994 | |
| 488 | D | A | -0.8945 | |
| 489 | V | A | -0.1379 | |
| 490 | E | A | -2.2407 | |
| 491 | S | A | -2.1512 | |
| 492 | R | A | -2.7285 | |
| 493 | Q | A | -2.2829 | |
| 494 | A | A | -1.1947 | |
| 495 | P | A | -0.7519 | |
| 496 | Y | A | 0.1125 | |
| 497 | E | A | -1.6363 | |
| 498 | N | A | -2.0381 | |
| 499 | L | A | -0.8213 | |
| 500 | N | A | -2.8388 | |
| 501 | D | A | -2.9808 | |
| 502 | Q | A | -2.8742 | |
| 503 | E | A | -2.4303 | |
| 504 | L | A | -0.5280 | |
| 505 | G | A | -1.3722 | |
| 506 | E | A | -1.6726 | |
| 507 | Y | A | 0.4729 | |
| 508 | L | A | 0.7815 | |
| 509 | A | A | 0.0923 | |
| 510 | R | A | -0.7235 | |
| 511 | M | A | 0.3347 | |
| 512 | L | A | 1.1387 | |
| 513 | V | A | 1.1088 | |
| 514 | K | A | -0.8756 | |
| 515 | Y | A | -0.0325 | |
| 516 | P | A | -0.1162 | |
| 517 | E | A | -1.3514 | |
| 518 | L | A | 0.4786 | |
| 519 | L | A | 0.2497 | |
| 520 | N | A | -1.5421 | |
| 521 | T | A | -1.2606 | |
| 522 | N | A | -2.2372 | |
| 523 | Q | A | -2.0200 | |
| 524 | L | A | -0.7066 | |
| 525 | K | A | -2.0599 | |
| 526 | R | A | -2.1244 | |
| 527 | V | A | 0.2003 | |
| 528 | P | A | -0.2557 | |
| 529 | S | A | 0.0379 | |
| 530 | P | A | 0.5669 | |
| 531 | V | A | 1.4509 | |
| 532 | S | A | -0.1004 | |
| 533 | S | A | -1.5199 | |
| 534 | E | A | -3.1202 | |
| 535 | D | A | -4.0010 | |
| 536 | D | A | -3.8824 | |
| 537 | L | A | -2.5480 | |
| 538 | Q | A | -4.2616 | |
| 539 | E | A | -4.6601 | |
| 540 | E | A | -4.6792 | |
| 541 | E | A | -4.4311 | |
| 542 | Q | A | -3.6952 | |
| 543 | L | A | -2.3509 | |
| 544 | E | A | -3.6440 | |
| 545 | Q | A | -2.9452 | |
| 546 | A | A | -1.5816 | |
| 547 | I | A | -0.3560 | |
| 548 | K | A | -2.2632 | |
| 549 | E | A | -2.6275 | |
| 550 | H | A | -1.2752 | |
| 551 | L | A | -0.0209 | |
| 552 | G | A | -0.9798 | |
| 553 | P | A | -0.8164 | |
| 554 | G | A | -0.8291 | |
| 555 | S | A | -1.2326 | |
| 556 | S | A | -1.2876 | |
| 557 | Q | A | -2.4824 | |
| 558 | E | A | -2.6836 | |
| 559 | M | A | -1.2379 | |
| 560 | E | A | -2.7150 | |
| 561 | R | A | -2.5252 | |
| 562 | L | A | -0.0090 | |
| 563 | A | A | -0.4609 | |
| 564 | K | A | -1.1712 | |
| 565 | V | A | 0.5338 | |
| 566 | S | A | -0.8358 | |
| 567 | K | A | -2.0891 | |
| 568 | R | A | -1.6120 | |
| 569 | I | A | 1.0258 | |
| 570 | P | A | 1.0713 | |
| 571 | V | A | 1.8642 | |
| 572 | G | A | 0.7689 | |
| 573 | S | A | 0.2999 | |
| 574 | L | A | -0.0400 | |
| 575 | K | A | -2.0292 | |
| 576 | N | A | -3.0439 | |
| 577 | E | A | -3.5156 | |
| 578 | D | A | -3.4943 | |
| 579 | T | A | -2.7009 | |
| 580 | P | A | -2.0781 | |
| 581 | N | A | -2.5385 | |
| 582 | R | A | -3.1758 | |
| 583 | Q | A | -2.6600 | |
| 584 | Y | A | -1.3262 | |
| 585 | L | A | -1.1407 | |
| 586 | D | A | -2.6349 | |
| 587 | E | A | -2.4208 | |
| 588 | D | A | -1.6597 | |
| 589 | M | A | -0.3889 | |
| 590 | L | A | 0.5164 | |
| 591 | L | A | 0.7487 | |
| 592 | K | A | -0.4449 | |
| 593 | V | A | 1.0656 | |
| 594 | L | A | 1.0563 | |
| 595 | E | A | -0.9294 | |
| 596 | Y | A | 0.0259 | |
| 597 | L | A | -0.1306 | |
| 598 | N | A | -2.4567 | |
| 599 | Q | A | -3.0279 | |
| 600 | E | A | -3.8675 | |
| 601 | Q | A | -4.0127 | |
| 602 | A | A | -3.7564 | |
| 603 | E | A | -4.9680 | |
| 604 | Q | A | -4.6868 | |
| 605 | G | A | -3.6983 | |
| 606 | R | A | -4.4159 | |
| 607 | E | A | -4.4995 | |
| 608 | H | A | -3.2684 | |
| 609 | L | A | -1.7334 | |
| 610 | A | A | -2.2680 | |
| 611 | K | A | -3.2492 | |
| 612 | R | A | -3.2157 | |
| 613 | A | A | -1.4749 | |
| 614 | M | A | -0.8117 | |
| 615 | E | A | -2.4744 | |
| 616 | N | A | -1.9701 | |
| 617 | M | A | -0.0027 |
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 | -0.4631 | 6.7675 | View | CSV | PDB |
| 4.5 | -0.6397 | 6.7948 | View | CSV | PDB |
| 5.0 | -0.8724 | 6.8542 | View | CSV | PDB |
| 5.5 | -1.1203 | 6.943 | View | CSV | PDB |
| 6.0 | -1.3412 | 7.0274 | View | CSV | PDB |
| 6.5 | -1.5024 | 7.0788 | View | CSV | PDB |
| 7.0 | -1.5909 | 7.1011 | View | CSV | PDB |
| 7.5 | -1.6215 | 7.1091 | View | CSV | PDB |
| 8.0 | -1.6191 | 7.1117 | View | CSV | PDB |
| 8.5 | -1.5969 | 7.1125 | View | CSV | PDB |
| 9.0 | -1.5554 | 7.1128 | 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