| Chain sequence(s) | MRPKDQVQSSAGDGTGSGDPATGTPTTQPAADPAPEPSAEPKPAPAQGTGSGQKSGSRTKTGGSFCRSRIRGDSDAPWTRYIFQGPYGPRATGLGTGRAEGIWKTPAAYIGRRPGVSGPERAAFIRELQEALCPNPLPRKKITEDDIKVMLYLLEEKERDLNTAARIGQSLVKQNSVLMEENNKLETMLGSAREEILHLRKQVNLRDDLLQLYSDSDDDEEDEEDEEEEEGEEEEREGQRDQDQQHDHPYGAPKPPPKAETLHHCPQLEALKQKLKLLEEENDHLREEASHLDNLEDKEQMLILECVEQFSEASQQMAELSEVLVLRLEGYERQQKEITQLQAEITKLQQRCQSYGAQTEKLQQQLASEKGVHPESLRAGSHMQDYGSRPRERQEDGKSHRQRSSMPAGSVTHYGYSVPLDALPSFPETLAEELRTSLRKFITDPAYFMERCDTRCREERKKEQGTMPPPPVQDLKPPEDFEAPEELVPEEELGAIEEVGTAEDGPAEETEQASEETEAWEEVEPEVDEATRMNVVVSALEASGLGPSHLDMKYVLQQLSNWQDAHSKRQQKQKVVPKDSPAPQQQTNMGGGIVEQQPIVPTQDSQRLEEDRATHSPSAREEEGPSGAT 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 (00:00:01)
[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 (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/eb69e88d76e4f9/tmp/folded.pdb (00:15:24)
[INFO] Main: Simulation completed successfully. (00:18:41)
|
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 | -0.0548 | |
| 2 | R | A | -1.8531 | |
| 3 | P | A | -2.2396 | |
| 4 | K | A | -3.2985 | |
| 5 | D | A | -2.9544 | |
| 6 | Q | A | -2.0290 | |
| 7 | V | A | 0.1823 | |
| 8 | Q | A | -0.7371 | |
| 9 | S | A | -0.4644 | |
| 10 | S | A | -0.6218 | |
| 11 | A | A | -0.7289 | |
| 12 | G | A | -1.5315 | |
| 13 | D | A | -2.2898 | |
| 14 | G | A | -1.6724 | |
| 15 | T | A | -1.0108 | |
| 16 | G | A | -0.7989 | |
| 17 | S | A | -1.1126 | |
| 18 | G | A | -1.5806 | |
| 19 | D | A | -2.1872 | |
| 20 | P | A | -1.3464 | |
| 21 | A | A | -0.6384 | |
| 22 | T | A | -0.3320 | |
| 23 | G | A | -0.5777 | |
| 24 | T | A | -0.4621 | |
| 25 | P | A | -0.4425 | |
| 26 | T | A | -0.4925 | |
| 27 | T | A | -0.7785 | |
| 28 | Q | A | -1.3603 | |
| 29 | P | A | -0.8256 | |
| 30 | A | A | -0.6557 | |
| 31 | A | A | -0.9388 | |
| 32 | D | A | -1.8579 | |
| 33 | P | A | -1.1162 | |
| 34 | A | A | -0.9118 | |
| 35 | P | A | -1.2003 | |
| 36 | E | A | -2.1085 | |
| 37 | P | A | -1.3766 | |
| 38 | S | A | -1.0335 | |
| 39 | A | A | -1.0330 | |
| 40 | E | A | -2.3559 | |
| 41 | P | A | -2.0402 | |
| 42 | K | A | -2.3489 | |
| 43 | P | A | -1.1424 | |
| 44 | A | A | -0.5344 | |
| 45 | P | A | -0.4888 | |
| 46 | A | A | -0.7465 | |
| 47 | Q | A | -1.4985 | |
| 48 | G | A | -1.2661 | |
| 49 | T | A | -0.8578 | |
| 50 | G | A | -0.8128 | |
| 51 | S | A | -0.9777 | |
| 52 | G | A | -1.6174 | |
| 53 | Q | A | -2.4405 | |
| 54 | K | A | -2.6554 | |
| 55 | S | A | -1.5711 | |
| 56 | G | A | -1.4719 | |
| 57 | S | A | -1.4315 | |
| 58 | R | A | -2.4672 | |
| 59 | T | A | -2.0024 | |
| 60 | K | A | -2.2856 | |
| 61 | T | A | -1.3648 | |
| 62 | G | A | -1.1382 | |
| 63 | G | A | -0.3204 | |
| 64 | S | A | 0.5574 | |
| 65 | F | A | 1.7041 | |
| 66 | C | A | 0.4274 | |
| 67 | R | A | -1.3492 | |
| 68 | S | A | -1.5878 | |
| 69 | R | A | -1.8751 | |
| 70 | I | A | -0.3576 | |
| 71 | R | A | -2.0676 | |
| 72 | G | A | -2.1592 | |
| 73 | D | A | -2.7035 | |
| 74 | S | A | -2.2734 | |
| 75 | D | A | -2.2540 | |
| 76 | A | A | -0.6855 | |
| 77 | P | A | -0.3787 | |
| 78 | W | A | 0.5881 | |
| 79 | T | A | 0.1687 | |
| 80 | R | A | -0.2963 | |
| 81 | Y | A | 1.8040 | |
| 82 | I | A | 2.7625 | |
| 83 | F | A | 2.2928 | |
| 84 | Q | A | 0.3015 | |
| 85 | G | A | -0.0833 | |
| 86 | P | A | -0.0958 | |
| 87 | Y | A | 0.4685 | |
| 88 | G | A | -0.5195 | |
| 89 | P | A | -1.1293 | |
| 90 | R | A | -1.9725 | |
| 91 | A | A | -0.9547 | |
| 92 | T | A | -0.5005 | |
| 93 | G | A | -0.0726 | |
| 94 | L | A | 1.0184 | |
| 95 | G | A | -0.2129 | |
| 96 | T | A | -0.5666 | |
| 97 | G | A | -1.5154 | |
| 98 | R | A | -2.5558 | |
| 99 | A | A | -1.9454 | |
| 100 | E | A | -1.9682 | |
| 101 | G | A | -0.2799 | |
| 102 | I | A | 1.5701 | |
| 103 | W | A | 0.9367 | |
| 104 | K | A | -0.6208 | |
| 105 | T | A | -0.2513 | |
| 106 | P | A | 0.1600 | |
| 107 | A | A | 0.5234 | |
| 108 | A | A | 0.4038 | |
| 109 | Y | A | 1.1852 | |
| 110 | I | A | 1.7787 | |
| 111 | G | A | -0.3754 | |
| 112 | R | A | -2.2529 | |
| 113 | R | A | -2.7054 | |
| 114 | P | A | -1.9207 | |
| 115 | G | A | -1.4669 | |
| 116 | V | A | -1.7660 | |
| 117 | S | A | -1.4280 | |
| 118 | G | A | -1.5456 | |
| 119 | P | A | -1.5333 | |
| 120 | E | A | -2.5982 | |
| 121 | R | A | -2.7084 | |
| 122 | A | A | -1.5174 | |
| 123 | A | A | -1.8031 | |
| 124 | F | A | -1.4427 | |
| 125 | I | A | -0.7674 | |
| 126 | R | A | -2.9443 | |
| 127 | E | A | -2.8091 | |
| 128 | L | A | -1.0798 | |
| 129 | Q | A | -2.1423 | |
| 130 | E | A | -2.8836 | |
| 131 | A | A | -1.0812 | |
| 132 | L | A | 0.1028 | |
| 133 | C | A | -0.4853 | |
| 134 | P | A | -0.8917 | |
| 135 | N | A | -1.1043 | |
| 136 | P | A | -0.5596 | |
| 137 | L | A | 0.1736 | |
| 138 | P | A | -1.3842 | |
| 139 | R | A | -2.6340 | |
| 140 | K | A | -2.7329 | |
| 141 | K | A | -2.4183 | |
| 142 | I | A | -0.3030 | |
| 143 | T | A | -1.4056 | |
| 144 | E | A | -2.4888 | |
| 145 | D | A | -2.2989 | |
| 146 | D | A | -1.0210 | |
| 147 | I | A | 0.2093 | |
| 148 | K | A | -0.4958 | |
| 149 | V | A | 1.7543 | |
| 150 | M | A | 2.0198 | |
| 151 | L | A | 2.1303 | |
| 152 | Y | A | 2.1267 | |
| 153 | L | A | 1.7085 | |
| 154 | L | A | 0.6107 | |
| 155 | E | A | -1.6905 | |
| 156 | E | A | -2.5621 | |
| 157 | K | A | -3.1949 | |
| 158 | E | A | -3.9643 | |
| 159 | R | A | -4.3781 | |
| 160 | D | A | -3.9902 | |
| 161 | L | A | -2.0741 | |
| 162 | N | A | -2.4315 | |
| 163 | T | A | -1.8816 | |
| 164 | A | A | -0.9155 | |
| 165 | A | A | -0.8977 | |
| 166 | R | A | -1.2727 | |
| 167 | I | A | 0.9022 | |
| 168 | G | A | 0.0912 | |
| 169 | Q | A | -0.9061 | |
| 170 | S | A | -0.3000 | |
| 171 | L | A | 1.0735 | |
| 172 | V | A | 0.8210 | |
| 173 | K | A | -0.7690 | |
| 174 | Q | A | -0.7195 | |
| 175 | N | A | -0.6497 | |
| 176 | S | A | -0.2189 | |
| 177 | V | A | 0.4637 | |
| 178 | L | A | -0.2594 | |
| 179 | M | A | -0.8236 | |
| 180 | E | A | -2.5989 | |
| 181 | E | A | -2.6731 | |
| 182 | N | A | -2.5226 | |
| 183 | N | A | -3.1545 | |
| 184 | K | A | -3.1713 | |
| 185 | L | A | -1.6704 | |
| 186 | E | A | -2.5757 | |
| 187 | T | A | -1.5350 | |
| 188 | M | A | -0.4477 | |
| 189 | L | A | -0.5131 | |
| 190 | G | A | -1.5351 | |
| 191 | S | A | -1.4881 | |
| 192 | A | A | -1.6118 | |
| 193 | R | A | -2.5519 | |
| 194 | E | A | -3.2253 | |
| 195 | E | A | -3.0788 | |
| 196 | I | A | -1.5987 | |
| 197 | L | A | -1.7256 | |
| 198 | H | A | -2.6404 | |
| 199 | L | A | -1.3894 | |
| 200 | R | A | -2.5467 | |
| 201 | K | A | -2.9877 | |
| 202 | Q | A | -2.2543 | |
| 203 | V | A | -1.2589 | |
| 204 | N | A | -2.6990 | |
| 205 | L | A | -1.4783 | |
| 206 | R | A | -2.6267 | |
| 207 | D | A | -2.8572 | |
| 208 | D | A | -2.2558 | |
| 209 | L | A | -0.4937 | |
| 210 | L | A | -0.4087 | |
| 211 | Q | A | -1.2106 | |
| 212 | L | A | 0.2874 | |
| 213 | Y | A | 0.2527 | |
| 214 | S | A | -1.4477 | |
| 215 | D | A | -2.4744 | |
| 216 | S | A | -2.5100 | |
| 217 | D | A | -4.4190 | |
| 218 | D | A | -5.6418 | |
| 219 | D | A | -5.6596 | |
| 220 | E | A | -5.6734 | |
| 221 | E | A | -6.2462 | |
| 222 | D | A | -6.4771 | |
| 223 | E | A | -6.0324 | |
| 224 | E | A | -5.9365 | |
| 225 | D | A | -6.1961 | |
| 226 | E | A | -6.0864 | |
| 227 | E | A | -5.7349 | |
| 228 | E | A | -5.7842 | |
| 229 | E | A | -5.7638 | |
| 230 | E | A | -5.3944 | |
| 231 | G | A | -4.7175 | |
| 232 | E | A | -5.4513 | |
| 233 | E | A | -5.7543 | |
| 234 | E | A | -5.4797 | |
| 235 | E | A | -5.1852 | |
| 236 | R | A | -5.2276 | |
| 237 | E | A | -4.6797 | |
| 238 | G | A | -3.7142 | |
| 239 | Q | A | -3.6210 | |
| 240 | R | A | -4.0993 | |
| 241 | D | A | -4.1145 | |
| 242 | Q | A | -3.9321 | |
| 243 | D | A | -3.8241 | |
| 244 | Q | A | -3.5260 | |
| 245 | Q | A | -3.3282 | |
| 246 | H | A | -2.9049 | |
| 247 | D | A | -3.2126 | |
| 248 | H | A | -2.0575 | |
| 249 | P | A | -0.5644 | |
| 250 | Y | A | 0.7969 | |
| 251 | G | A | 0.0893 | |
| 252 | A | A | -0.4078 | |
| 253 | P | A | -1.1790 | |
| 254 | K | A | -1.9883 | |
| 255 | P | A | -1.2978 | |
| 256 | P | A | -1.2208 | |
| 257 | P | A | -1.2400 | |
| 258 | K | A | -2.2113 | |
| 259 | A | A | -1.6868 | |
| 260 | E | A | -1.9784 | |
| 261 | T | A | -0.7981 | |
| 262 | L | A | 0.3799 | |
| 263 | H | A | -0.9026 | |
| 264 | H | A | -1.1132 | |
| 265 | C | A | -0.5772 | |
| 266 | P | A | -0.9597 | |
| 267 | Q | A | -1.0303 | |
| 268 | L | A | -0.2617 | |
| 269 | E | A | -1.1969 | |
| 270 | A | A | -1.0428 | |
| 271 | L | A | -0.2984 | |
| 272 | K | A | -1.8214 | |
| 273 | Q | A | -2.1415 | |
| 274 | K | A | -1.6815 | |
| 275 | L | A | -0.9619 | |
| 276 | K | A | -2.5091 | |
| 277 | L | A | -1.5939 | |
| 278 | L | A | -2.1440 | |
| 279 | E | A | -3.6845 | |
| 280 | E | A | -4.2053 | |
| 281 | E | A | -3.8301 | |
| 282 | N | A | -4.0155 | |
| 283 | D | A | -4.7557 | |
| 284 | H | A | -4.1042 | |
| 285 | L | A | -2.7627 | |
| 286 | R | A | -4.0433 | |
| 287 | E | A | -4.2396 | |
| 288 | E | A | -3.2863 | |
| 289 | A | A | -2.3043 | |
| 290 | S | A | -2.5305 | |
| 291 | H | A | -2.6898 | |
| 292 | L | A | -2.1233 | |
| 293 | D | A | -3.8474 | |
| 294 | N | A | -3.7105 | |
| 295 | L | A | -2.8921 | |
| 296 | E | A | -4.3173 | |
| 297 | D | A | -4.2513 | |
| 298 | K | A | -3.5057 | |
| 299 | E | A | -3.3706 | |
| 300 | Q | A | -1.9681 | |
| 301 | M | A | -0.1840 | |
| 302 | L | A | 0.3410 | |
| 303 | I | A | 0.8469 | |
| 304 | L | A | 0.9579 | |
| 305 | E | A | -0.6168 | |
| 306 | C | A | 0.6709 | |
| 307 | V | A | 1.3618 | |
| 308 | E | A | -1.5200 | |
| 309 | Q | A | -1.5939 | |
| 310 | F | A | 0.3374 | |
| 311 | S | A | -1.2482 | |
| 312 | E | A | -2.5261 | |
| 313 | A | A | -1.3628 | |
| 314 | S | A | -1.3428 | |
| 315 | Q | A | -2.2993 | |
| 316 | Q | A | -1.8393 | |
| 317 | M | A | -0.5848 | |
| 318 | A | A | -1.3026 | |
| 319 | E | A | -1.9710 | |
| 320 | L | A | 0.1958 | |
| 321 | S | A | -0.1712 | |
| 322 | E | A | -0.5188 | |
| 323 | V | A | 0.9983 | |
| 324 | L | A | 1.3223 | |
| 325 | V | A | 2.1756 | |
| 326 | L | A | 1.6116 | |
| 327 | R | A | -0.0550 | |
| 328 | L | A | 0.8547 | |
| 329 | E | A | -1.0318 | |
| 330 | G | A | -1.1561 | |
| 331 | Y | A | -1.2556 | |
| 332 | E | A | -3.5576 | |
| 333 | R | A | -4.3561 | |
| 334 | Q | A | -3.5502 | |
| 335 | Q | A | -3.6803 | |
| 336 | K | A | -4.2780 | |
| 337 | E | A | -3.6158 | |
| 338 | I | A | -1.5954 | |
| 339 | T | A | -1.8471 | |
| 340 | Q | A | -2.0976 | |
| 341 | L | A | -0.6278 | |
| 342 | Q | A | -1.0440 | |
| 343 | A | A | -1.1182 | |
| 344 | E | A | -1.2161 | |
| 345 | I | A | 0.0682 | |
| 346 | T | A | -1.3330 | |
| 347 | K | A | -2.5744 | |
| 348 | L | A | -1.5306 | |
| 349 | Q | A | -2.1751 | |
| 350 | Q | A | -2.9683 | |
| 351 | R | A | -2.5842 | |
| 352 | C | A | -1.3410 | |
| 353 | Q | A | -2.1255 | |
| 354 | S | A | -1.4024 | |
| 355 | Y | A | -0.5187 | |
| 356 | G | A | -1.1507 | |
| 357 | A | A | -1.5836 | |
| 358 | Q | A | -1.6800 | |
| 359 | T | A | -1.8385 | |
| 360 | E | A | -3.1412 | |
| 361 | K | A | -2.9997 | |
| 362 | L | A | -1.2086 | |
| 363 | Q | A | -2.5658 | |
| 364 | Q | A | -3.1426 | |
| 365 | Q | A | -2.5617 | |
| 366 | L | A | -1.4439 | |
| 367 | A | A | -1.6430 | |
| 368 | S | A | -1.8296 | |
| 369 | E | A | -2.7046 | |
| 370 | K | A | -2.6198 | |
| 371 | G | A | -1.6106 | |
| 372 | V | A | -0.4096 | |
| 373 | H | A | -1.7835 | |
| 374 | P | A | -1.6101 | |
| 375 | E | A | -2.2189 | |
| 376 | S | A | -1.1171 | |
| 377 | L | A | -0.3867 | |
| 378 | R | A | -2.1738 | |
| 379 | A | A | -1.1772 | |
| 380 | G | A | -0.8604 | |
| 381 | S | A | -1.2367 | |
| 382 | H | A | -1.5494 | |
| 383 | M | A | -0.4145 | |
| 384 | Q | A | -1.6226 | |
| 385 | D | A | -1.8040 | |
| 386 | Y | A | -0.1976 | |
| 387 | G | A | -0.9980 | |
| 388 | S | A | -1.3941 | |
| 389 | R | A | -2.3953 | |
| 390 | P | A | -2.4435 | |
| 391 | R | A | -3.6172 | |
| 392 | E | A | -3.8907 | |
| 393 | R | A | -4.0976 | |
| 394 | Q | A | -3.7116 | |
| 395 | E | A | -3.7440 | |
| 396 | D | A | -3.5489 | |
| 397 | G | A | -2.5659 | |
| 398 | K | A | -2.6434 | |
| 399 | S | A | -2.0044 | |
| 400 | H | A | -2.6778 | |
| 401 | R | A | -3.4101 | |
| 402 | Q | A | -3.3196 | |
| 403 | R | A | -3.0318 | |
| 404 | S | A | -1.2738 | |
| 405 | S | A | -0.4315 | |
| 406 | M | A | 0.7448 | |
| 407 | P | A | 0.1153 | |
| 408 | A | A | 0.1280 | |
| 409 | G | A | -0.1010 | |
| 410 | S | A | 0.3124 | |
| 411 | V | A | 1.4402 | |
| 412 | T | A | 0.4850 | |
| 413 | H | A | 0.0683 | |
| 414 | Y | A | 1.0497 | |
| 415 | G | A | 0.7662 | |
| 416 | Y | A | 1.5605 | |
| 417 | S | A | 1.3509 | |
| 418 | V | A | 2.0813 | |
| 419 | P | A | 0.9867 | |
| 420 | L | A | 1.3381 | |
| 421 | D | A | -0.5808 | |
| 422 | A | A | 0.3792 | |
| 423 | L | A | 0.7654 | |
| 424 | P | A | -0.2105 | |
| 425 | S | A | -0.4837 | |
| 426 | F | A | 0.2137 | |
| 427 | P | A | -0.9713 | |
| 428 | E | A | -2.1178 | |
| 429 | T | A | -1.5980 | |
| 430 | L | A | -0.9587 | |
| 431 | A | A | -1.6826 | |
| 432 | E | A | -2.8789 | |
| 433 | E | A | -2.5472 | |
| 434 | L | A | -0.7132 | |
| 435 | R | A | -2.0043 | |
| 436 | T | A | -1.5896 | |
| 437 | S | A | -0.5949 | |
| 438 | L | A | 0.4280 | |
| 439 | R | A | -1.1975 | |
| 440 | K | A | -0.6050 | |
| 441 | F | A | 1.3289 | |
| 442 | I | A | 1.6992 | |
| 443 | T | A | 0.2543 | |
| 444 | D | A | 0.1566 | |
| 445 | P | A | 0.5603 | |
| 446 | A | A | 0.2174 | |
| 447 | Y | A | -0.0588 | |
| 448 | F | A | -0.0551 | |
| 449 | M | A | -0.6579 | |
| 450 | E | A | -2.6114 | |
| 451 | R | A | -2.9506 | |
| 452 | C | A | -2.0575 | |
| 453 | D | A | -3.6337 | |
| 454 | T | A | -3.7597 | |
| 455 | R | A | -4.3953 | |
| 456 | C | A | -3.5531 | |
| 457 | R | A | -5.1146 | |
| 458 | E | A | -5.4885 | |
| 459 | E | A | -5.1192 | |
| 460 | R | A | -5.6058 | |
| 461 | K | A | -5.8718 | |
| 462 | K | A | -5.3782 | |
| 463 | E | A | -4.7239 | |
| 464 | Q | A | -3.7034 | |
| 465 | G | A | -2.6955 | |
| 466 | T | A | -1.1135 | |
| 467 | M | A | 0.1848 | |
| 468 | P | A | -0.0352 | |
| 469 | P | A | -0.0466 | |
| 470 | P | A | -0.1278 | |
| 471 | P | A | -0.1465 | |
| 472 | V | A | 0.6500 | |
| 473 | Q | A | -1.0951 | |
| 474 | D | A | -1.5954 | |
| 475 | L | A | -0.2981 | |
| 476 | K | A | -1.8786 | |
| 477 | P | A | -1.6961 | |
| 478 | P | A | -1.8015 | |
| 479 | E | A | -2.6388 | |
| 480 | D | A | -2.1646 | |
| 481 | F | A | -0.2521 | |
| 482 | E | A | -1.3307 | |
| 483 | A | A | -1.1582 | |
| 484 | P | A | -1.8958 | |
| 485 | E | A | -2.4864 | |
| 486 | E | A | -1.6814 | |
| 487 | L | A | 0.8719 | |
| 488 | V | A | 1.4267 | |
| 489 | P | A | -0.5734 | |
| 490 | E | A | -2.6799 | |
| 491 | E | A | -3.1542 | |
| 492 | E | A | -2.5277 | |
| 493 | L | A | 0.0012 | |
| 494 | G | A | 0.2152 | |
| 495 | A | A | 0.5203 | |
| 496 | I | A | 0.6389 | |
| 497 | E | A | -1.3769 | |
| 498 | E | A | -1.4980 | |
| 499 | V | A | 0.2318 | |
| 500 | G | A | -0.2392 | |
| 501 | T | A | -0.2676 | |
| 502 | A | A | -1.4070 | |
| 503 | E | A | -2.7572 | |
| 504 | D | A | -2.9271 | |
| 505 | G | A | -1.8075 | |
| 506 | P | A | -1.4340 | |
| 507 | A | A | -1.6064 | |
| 508 | E | A | -2.9556 | |
| 509 | E | A | -3.4428 | |
| 510 | T | A | -2.5981 | |
| 511 | E | A | -3.2155 | |
| 512 | Q | A | -2.5545 | |
| 513 | A | A | -1.8026 | |
| 514 | S | A | -2.1105 | |
| 515 | E | A | -3.1287 | |
| 516 | E | A | -3.1955 | |
| 517 | T | A | -2.1594 | |
| 518 | E | A | -2.3303 | |
| 519 | A | A | -0.9794 | |
| 520 | W | A | -0.4436 | |
| 521 | E | A | -2.0043 | |
| 522 | E | A | -2.0003 | |
| 523 | V | A | -0.7491 | |
| 524 | E | A | -2.0612 | |
| 525 | P | A | -1.4971 | |
| 526 | E | A | -2.1078 | |
| 527 | V | A | -1.2715 | |
| 528 | D | A | -2.8930 | |
| 529 | E | A | -2.9910 | |
| 530 | A | A | -1.4036 | |
| 531 | T | A | -1.2839 | |
| 532 | R | A | -1.4830 | |
| 533 | M | A | -0.1725 | |
| 534 | N | A | -0.2257 | |
| 535 | V | A | 1.5320 | |
| 536 | V | A | 2.2658 | |
| 537 | V | A | 1.2942 | |
| 538 | S | A | 0.6680 | |
| 539 | A | A | 0.9722 | |
| 540 | L | A | 0.7206 | |
| 541 | E | A | -0.8096 | |
| 542 | A | A | -0.3601 | |
| 543 | S | A | -0.2425 | |
| 544 | G | A | -0.2934 | |
| 545 | L | A | 0.7989 | |
| 546 | G | A | -0.0576 | |
| 547 | P | A | -0.2654 | |
| 548 | S | A | -0.2945 | |
| 549 | H | A | -0.4963 | |
| 550 | L | A | 0.5889 | |
| 551 | D | A | -0.8955 | |
| 552 | M | A | 0.2755 | |
| 553 | K | A | -0.7347 | |
| 554 | Y | A | 0.6430 | |
| 555 | V | A | 0.8998 | |
| 556 | L | A | 0.7529 | |
| 557 | Q | A | -0.6632 | |
| 558 | Q | A | -0.1011 | |
| 559 | L | A | 0.5447 | |
| 560 | S | A | -0.6785 | |
| 561 | N | A | -1.3023 | |
| 562 | W | A | -0.5759 | |
| 563 | Q | A | -2.3746 | |
| 564 | D | A | -3.1612 | |
| 565 | A | A | -2.6761 | |
| 566 | H | A | -3.5905 | |
| 567 | S | A | -3.8731 | |
| 568 | K | A | -4.9517 | |
| 569 | R | A | -5.4615 | |
| 570 | Q | A | -4.7639 | |
| 571 | Q | A | -4.2106 | |
| 572 | K | A | -4.0202 | |
| 573 | Q | A | -3.4539 | |
| 574 | K | A | -2.7987 | |
| 575 | V | A | -0.2805 | |
| 576 | V | A | 0.2340 | |
| 577 | P | A | -0.8108 | |
| 578 | K | A | -2.1486 | |
| 579 | D | A | -2.5929 | |
| 580 | S | A | -1.4559 | |
| 581 | P | A | -1.1002 | |
| 582 | A | A | -0.6440 | |
| 583 | P | A | -1.1897 | |
| 584 | Q | A | -2.1869 | |
| 585 | Q | A | -2.5800 | |
| 586 | Q | A | -2.3174 | |
| 587 | T | A | -1.3276 | |
| 588 | N | A | -1.4325 | |
| 589 | M | A | -0.0402 | |
| 590 | G | A | -0.6111 | |
| 591 | G | A | -0.3811 | |
| 592 | G | A | 0.4083 | |
| 593 | I | A | 2.1303 | |
| 594 | V | A | 1.5072 | |
| 595 | E | A | -1.3787 | |
| 596 | Q | A | -2.3302 | |
| 597 | Q | A | -1.8561 | |
| 598 | P | A | 0.2570 | |
| 599 | I | A | 2.4363 | |
| 600 | V | A | 2.5429 | |
| 601 | P | A | 0.7053 | |
| 602 | T | A | -0.7861 | |
| 603 | Q | A | -2.3644 | |
| 604 | D | A | -2.9812 | |
| 605 | S | A | -2.1827 | |
| 606 | Q | A | -2.6275 | |
| 607 | R | A | -2.6591 | |
| 608 | L | A | -1.3386 | |
| 609 | E | A | -3.1418 | |
| 610 | E | A | -3.8721 | |
| 611 | D | A | -3.8479 | |
| 612 | R | A | -3.4847 | |
| 613 | A | A | -1.8422 | |
| 614 | T | A | -1.2776 | |
| 615 | H | A | -1.4047 | |
| 616 | S | A | -0.8847 | |
| 617 | P | A | -0.8811 | |
| 618 | S | A | -0.7399 | |
| 619 | A | A | -1.4195 | |
| 620 | R | A | -3.1603 | |
| 621 | E | A | -3.9919 | |
| 622 | E | A | -4.1112 | |
| 623 | E | A | -3.3801 | |
| 624 | G | A | -1.8985 | |
| 625 | P | A | -1.1037 | |
| 626 | S | A | -0.8375 | |
| 627 | G | A | -0.6072 | |
| 628 | A | A | -0.3118 | |
| 629 | T | A | -0.1677 |
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 | -0.7641 | 5.2875 | View | CSV | PDB |
| 4.5 | -0.9389 | 5.2875 | View | CSV | PDB |
| 5.0 | -1.1697 | 5.2875 | View | CSV | PDB |
| 5.5 | -1.4145 | 5.2875 | View | CSV | PDB |
| 6.0 | -1.631 | 5.2875 | View | CSV | PDB |
| 6.5 | -1.7871 | 5.2875 | View | CSV | PDB |
| 7.0 | -1.8722 | 5.2875 | View | CSV | PDB |
| 7.5 | -1.9031 | 5.2875 | View | CSV | PDB |
| 8.0 | -1.9047 | 5.2874 | View | CSV | PDB |
| 8.5 | -1.8891 | 5.2871 | View | CSV | PDB |
| 9.0 | -1.8567 | 5.2863 | 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