| Chain sequence(s) | MGLKARRAAGAAGGGGDGGGGGGGAANPAGGDAAAAGDEERKVGLAPGDVEQVTLALGAGADKDGTLLLEGGGRDEGQRRTPQGIGLLAKTPLTRPVKRNNAKYRRIQTLIYDALERPRGWALLYHALVFLIVLGCLILAVLTTFKEYETVSGDWLLLLETFAIFIFGAEFALRIWAAGCCCRYKGWRGRLKFARKPLCMLDIFVLIASVPVVAVGNQGNVLATSLRSLRFLQILRMLRMDRRGGTWKLLGSAICAHSKELITAWYIGFLTLILSSFLVYLVEKDVPEVDAQGEEMKEEFETYADALWWGLITLATIGYGDKTPKTWEGRLIAATFSLIGVSFFALPAGILGSGLALKVQEQHRQKHFEKRRKPAAELIQAAWRYYATNPNRIDLVATWRFYESVVSFPFFRKEQLEAASSQKLGLLDRVRLSNPRGSNTKGKLFTPLNVDAIEESPSKEPKPVGLNNKERFRTAFRMKAYAFWQSSEDAGTGDPTAEDRGYGNDFPIEDMIPTLKAAIRAVRILQFRLYKKKFKETLRPYDVKDVIEQYSAGHLDMLSRIKYLQTRIDMIFTPGPPSTPKHKKSQKGSAFTFPSQQSPRNEPYVARPSTSEIEDQSMMGKFVKVERQVQDMGKKLDFLVDMHMQHMERLQVQVTEYYPTKGTSSPAEAEKKEDNRYSDLKTIICNYSETGPPEPPYSFHQVPIDKVSPYGFFAHDPVNLPRGGPSTGKVQAAPPSSATTYAERPTVLPILTLLDSRVSCHSQADLQGPYSDRISPQQRRSITRDSDTPLSLMSVNHEELERSPSGFSISQDRDDYVFGPNGGSSWMREKRYLAEGETDTDTDPFTPSGSMPLSSTGDGISDSVWTPSNKPI 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[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 (00:51:52)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/795b12e320fc32/tmp/folded.pdb (00:51:52)
[INFO] Main: Simulation completed successfully. (00:58:23)
|
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 | 1.1728 | |
| 2 | G | A | 0.5814 | |
| 3 | L | A | 0.7546 | |
| 4 | K | A | -1.4104 | |
| 5 | A | A | -1.8355 | |
| 6 | R | A | -3.1648 | |
| 7 | R | A | -2.7975 | |
| 8 | A | A | -1.4508 | |
| 9 | A | A | -0.4987 | |
| 10 | G | A | -0.4274 | |
| 11 | A | A | -0.2693 | |
| 12 | A | A | -0.3361 | |
| 13 | G | A | -0.7960 | |
| 14 | G | A | -1.0493 | |
| 15 | G | A | -1.4399 | |
| 16 | G | A | -1.9145 | |
| 17 | D | A | -2.4747 | |
| 18 | G | A | -1.7879 | |
| 19 | G | A | -1.4623 | |
| 20 | G | A | -1.1639 | |
| 21 | G | A | -1.1604 | |
| 22 | G | A | -1.1817 | |
| 23 | G | A | -1.0514 | |
| 24 | G | A | -0.7362 | |
| 25 | A | A | -0.5760 | |
| 26 | A | A | -0.6989 | |
| 27 | N | A | -1.3654 | |
| 28 | P | A | -1.0429 | |
| 29 | A | A | -0.7120 | |
| 30 | G | A | -1.0822 | |
| 31 | G | A | -1.5356 | |
| 32 | D | A | -2.0739 | |
| 33 | A | A | -0.8581 | |
| 34 | A | A | -0.2086 | |
| 35 | A | A | -0.1677 | |
| 36 | A | A | -0.5064 | |
| 37 | G | A | -1.8382 | |
| 38 | D | A | -3.2802 | |
| 39 | E | A | -4.4365 | |
| 40 | E | A | -4.4549 | |
| 41 | R | A | -3.7039 | |
| 42 | K | A | -2.2456 | |
| 43 | V | A | 0.5801 | |
| 44 | G | A | 0.7303 | |
| 45 | L | A | 1.4958 | |
| 46 | A | A | 0.2546 | |
| 47 | P | A | -0.5589 | |
| 48 | G | A | -1.2271 | |
| 49 | D | A | -1.6092 | |
| 50 | V | A | -0.2947 | |
| 51 | E | A | -1.5508 | |
| 52 | Q | A | -0.8850 | |
| 53 | V | A | 1.1067 | |
| 54 | T | A | 1.5482 | |
| 55 | L | A | 2.2672 | |
| 56 | A | A | 1.5329 | |
| 57 | L | A | 1.7264 | |
| 58 | G | A | 0.2162 | |
| 59 | A | A | -0.0212 | |
| 60 | G | A | -0.8986 | |
| 61 | A | A | -1.4631 | |
| 62 | D | A | -3.1471 | |
| 63 | K | A | -3.6076 | |
| 64 | D | A | -3.2124 | |
| 65 | G | A | -1.1958 | |
| 66 | T | A | 0.4782 | |
| 67 | L | A | 2.4831 | |
| 68 | L | A | 2.6970 | |
| 69 | L | A | 1.5879 | |
| 70 | E | A | -0.8264 | |
| 71 | G | A | -1.2695 | |
| 72 | G | A | -1.6216 | |
| 73 | G | A | -2.2718 | |
| 74 | R | A | -3.6336 | |
| 75 | D | A | -3.9819 | |
| 76 | E | A | -3.7093 | |
| 77 | G | A | -3.0945 | |
| 78 | Q | A | -3.0677 | |
| 79 | R | A | -3.4328 | |
| 80 | R | A | -3.0568 | |
| 81 | T | A | -1.7104 | |
| 82 | P | A | -1.1327 | |
| 83 | Q | A | -1.1901 | |
| 84 | G | A | -0.1771 | |
| 85 | I | A | 1.8603 | |
| 86 | G | A | 1.4301 | |
| 87 | L | A | 2.3222 | |
| 88 | L | A | 1.9890 | |
| 89 | A | A | 0.1834 | |
| 90 | K | A | -0.8909 | |
| 91 | T | A | -0.5653 | |
| 92 | P | A | -0.3253 | |
| 93 | L | A | 0.5782 | |
| 94 | T | A | -0.0559 | |
| 95 | R | A | -1.4319 | |
| 96 | P | A | -0.9931 | |
| 97 | V | A | -0.6125 | |
| 98 | K | A | -2.9191 | |
| 99 | R | A | -3.4007 | |
| 100 | N | A | -3.5666 | |
| 101 | N | A | -2.8782 | |
| 102 | A | A | -2.6945 | |
| 103 | K | A | -3.5335 | |
| 104 | Y | A | -1.8017 | |
| 105 | R | A | -1.9865 | |
| 106 | R | A | -2.1275 | |
| 107 | I | A | -0.1866 | |
| 108 | Q | A | 0.0000 | |
| 109 | T | A | 0.0438 | |
| 110 | L | A | 1.0592 | |
| 111 | I | A | 0.7562 | |
| 112 | Y | A | 0.3204 | |
| 113 | D | A | -0.7653 | |
| 114 | A | A | -0.3463 | |
| 115 | L | A | 0.0000 | |
| 116 | E | A | -1.6556 | |
| 117 | R | A | -2.4572 | |
| 118 | P | A | -1.2422 | |
| 119 | R | A | -1.8723 | |
| 120 | G | A | -0.2563 | |
| 121 | W | A | 1.4104 | |
| 122 | A | A | 0.0000 | |
| 123 | L | A | 1.6177 | |
| 124 | L | A | 2.7469 | |
| 125 | Y | A | 2.4668 | |
| 126 | H | A | 1.9956 | |
| 127 | A | A | 2.3137 | |
| 128 | L | A | 2.8503 | |
| 129 | V | A | 0.0000 | |
| 130 | F | A | 2.3936 | |
| 131 | L | A | 2.6937 | |
| 132 | I | A | 2.2884 | |
| 133 | V | A | 0.0000 | |
| 134 | L | A | 2.2108 | |
| 135 | G | A | 1.8900 | |
| 136 | C | A | 0.0000 | |
| 137 | L | A | 2.5264 | |
| 138 | I | A | 2.9291 | |
| 139 | L | A | 2.0330 | |
| 140 | A | A | 0.0000 | |
| 141 | V | A | 2.4627 | |
| 142 | L | A | 1.6179 | |
| 143 | T | A | 0.0000 | |
| 144 | T | A | -0.0837 | |
| 145 | F | A | 0.0103 | |
| 146 | K | A | -2.2718 | |
| 147 | E | A | -2.0198 | |
| 148 | Y | A | -0.2408 | |
| 149 | E | A | -1.6606 | |
| 150 | T | A | -0.5421 | |
| 151 | V | A | 0.9958 | |
| 152 | S | A | 0.0000 | |
| 153 | G | A | -0.2129 | |
| 154 | D | A | -0.6621 | |
| 155 | W | A | 1.1409 | |
| 156 | L | A | 0.0000 | |
| 157 | L | A | 0.5523 | |
| 158 | L | A | 1.4375 | |
| 159 | L | A | 1.4713 | |
| 160 | E | A | 0.0000 | |
| 161 | T | A | 2.2564 | |
| 162 | F | A | 3.0284 | |
| 163 | A | A | 0.0000 | |
| 164 | I | A | 2.4661 | |
| 165 | F | A | 3.1293 | |
| 166 | I | A | 2.2082 | |
| 167 | F | A | 0.0000 | |
| 168 | G | A | 1.3750 | |
| 169 | A | A | 1.0764 | |
| 170 | E | A | 0.0000 | |
| 171 | F | A | 1.0235 | |
| 172 | A | A | 0.7761 | |
| 173 | L | A | 1.0580 | |
| 174 | R | A | 0.0000 | |
| 175 | I | A | 0.8652 | |
| 176 | W | A | 0.7607 | |
| 177 | A | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | C | A | -0.2450 | |
| 181 | C | A | -0.5090 | |
| 182 | C | A | -0.5559 | |
| 183 | R | A | -2.1122 | |
| 184 | Y | A | -1.7666 | |
| 185 | K | A | -2.2111 | |
| 186 | G | A | -1.3256 | |
| 187 | W | A | -0.4191 | |
| 188 | R | A | -2.0605 | |
| 189 | G | A | -2.0884 | |
| 190 | R | A | -1.6379 | |
| 191 | L | A | -1.5911 | |
| 192 | K | A | -3.0772 | |
| 193 | F | A | 0.0000 | |
| 194 | A | A | -1.3703 | |
| 195 | R | A | -2.4158 | |
| 196 | K | A | -1.7020 | |
| 197 | P | A | -0.7516 | |
| 198 | L | A | -0.1163 | |
| 199 | C | A | 0.0000 | |
| 200 | M | A | 0.5716 | |
| 201 | L | A | 1.3097 | |
| 202 | D | A | 0.0000 | |
| 203 | I | A | 1.9012 | |
| 204 | F | A | 2.8854 | |
| 205 | V | A | 0.0000 | |
| 206 | L | A | 2.4833 | |
| 207 | I | A | 3.1639 | |
| 208 | A | A | 1.9806 | |
| 209 | S | A | 0.0000 | |
| 210 | V | A | 2.1992 | |
| 211 | P | A | 1.0124 | |
| 212 | V | A | 0.0000 | |
| 213 | V | A | 0.3444 | |
| 214 | A | A | -0.1509 | |
| 215 | V | A | -0.1884 | |
| 216 | G | A | -1.2342 | |
| 217 | N | A | -2.0188 | |
| 218 | Q | A | -1.9446 | |
| 219 | G | A | -1.3958 | |
| 220 | N | A | -0.8231 | |
| 221 | V | A | 1.4421 | |
| 222 | L | A | 1.1371 | |
| 223 | A | A | 0.2511 | |
| 224 | T | A | 0.0427 | |
| 225 | S | A | 0.0513 | |
| 226 | L | A | -0.1474 | |
| 227 | R | A | -1.4097 | |
| 228 | S | A | -0.4126 | |
| 229 | L | A | 0.3501 | |
| 230 | R | A | 0.6762 | |
| 231 | F | A | 2.1024 | |
| 232 | L | A | 1.8069 | |
| 233 | Q | A | 0.0000 | |
| 234 | I | A | 2.4485 | |
| 235 | L | A | 1.8429 | |
| 236 | R | A | 0.0000 | |
| 237 | M | A | 1.3575 | |
| 238 | L | A | 1.1264 | |
| 239 | R | A | 0.0000 | |
| 240 | M | A | 0.2556 | |
| 241 | D | A | -0.3051 | |
| 242 | R | A | -1.0930 | |
| 243 | R | A | -2.0672 | |
| 244 | G | A | 0.0000 | |
| 245 | G | A | -0.7898 | |
| 246 | T | A | -0.0849 | |
| 247 | W | A | 0.3486 | |
| 248 | K | A | -0.9578 | |
| 249 | L | A | 0.5974 | |
| 250 | L | A | 0.8726 | |
| 251 | G | A | 0.4040 | |
| 252 | S | A | 0.3262 | |
| 253 | A | A | 0.0000 | |
| 254 | I | A | 0.9453 | |
| 255 | C | A | 0.8532 | |
| 256 | A | A | 0.0942 | |
| 257 | H | A | -0.3746 | |
| 258 | S | A | -0.3336 | |
| 259 | K | A | -1.5049 | |
| 260 | E | A | -1.2412 | |
| 261 | L | A | 0.0000 | |
| 262 | I | A | 1.8478 | |
| 263 | T | A | 1.2856 | |
| 264 | A | A | 0.0000 | |
| 265 | W | A | 3.3552 | |
| 266 | Y | A | 3.6081 | |
| 267 | I | A | 3.1836 | |
| 268 | G | A | 0.0000 | |
| 269 | F | A | 4.0640 | |
| 270 | L | A | 3.4087 | |
| 271 | T | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | I | A | 2.7361 | |
| 274 | L | A | 2.5839 | |
| 275 | S | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | F | A | 2.5180 | |
| 278 | L | A | 1.9271 | |
| 279 | V | A | 0.0000 | |
| 280 | Y | A | 0.9249 | |
| 281 | L | A | 1.2881 | |
| 282 | V | A | 0.3062 | |
| 283 | E | A | 0.0000 | |
| 284 | K | A | -1.6367 | |
| 285 | D | A | -2.2207 | |
| 286 | V | A | -1.7661 | |
| 287 | P | A | -2.2085 | |
| 288 | E | A | -2.2595 | |
| 289 | V | A | -0.7883 | |
| 290 | D | A | -1.7256 | |
| 291 | A | A | -1.1849 | |
| 292 | Q | A | -2.0753 | |
| 293 | G | A | -2.0878 | |
| 294 | E | A | -3.2097 | |
| 295 | E | A | -3.1570 | |
| 296 | M | A | -2.2249 | |
| 297 | K | A | -3.1629 | |
| 298 | E | A | -3.3206 | |
| 299 | E | A | -2.6378 | |
| 300 | F | A | 0.0000 | |
| 301 | E | A | -2.8966 | |
| 302 | T | A | -0.9560 | |
| 303 | Y | A | 0.6363 | |
| 304 | A | A | 0.2960 | |
| 305 | D | A | -0.2595 | |
| 306 | A | A | 0.0000 | |
| 307 | L | A | 1.4387 | |
| 308 | W | A | 0.8923 | |
| 309 | W | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | L | A | 1.6290 | |
| 312 | I | A | 0.0000 | |
| 313 | T | A | 0.7927 | |
| 314 | L | A | 0.0000 | |
| 315 | A | A | 0.9003 | |
| 316 | T | A | 0.9814 | |
| 317 | I | A | 1.6770 | |
| 318 | G | A | 0.5481 | |
| 319 | Y | A | 0.7692 | |
| 320 | G | A | -0.5790 | |
| 321 | D | A | -1.5085 | |
| 322 | K | A | -1.3134 | |
| 323 | T | A | -1.3529 | |
| 324 | P | A | 0.0000 | |
| 325 | K | A | -2.0748 | |
| 326 | T | A | -0.5991 | |
| 327 | W | A | 0.3038 | |
| 328 | E | A | -0.2079 | |
| 329 | G | A | 0.0000 | |
| 330 | R | A | -1.0572 | |
| 331 | L | A | 0.9264 | |
| 332 | I | A | 0.7194 | |
| 333 | A | A | 0.4852 | |
| 334 | A | A | 0.6531 | |
| 335 | T | A | 1.0279 | |
| 336 | F | A | 1.3865 | |
| 337 | S | A | 1.4771 | |
| 338 | L | A | 2.1773 | |
| 339 | I | A | 2.0040 | |
| 340 | G | A | 0.0000 | |
| 341 | V | A | 1.6657 | |
| 342 | S | A | 1.3612 | |
| 343 | F | A | 2.2497 | |
| 344 | F | A | 1.9235 | |
| 345 | A | A | 0.9973 | |
| 346 | L | A | 1.0583 | |
| 347 | P | A | 0.8610 | |
| 348 | A | A | 0.2483 | |
| 349 | G | A | -0.0521 | |
| 350 | I | A | 0.0425 | |
| 351 | L | A | 0.3842 | |
| 352 | G | A | -0.0720 | |
| 353 | S | A | 0.2966 | |
| 354 | G | A | 0.0000 | |
| 355 | L | A | 1.0367 | |
| 356 | A | A | 0.8075 | |
| 357 | L | A | 1.1252 | |
| 358 | K | A | 0.2662 | |
| 359 | V | A | 0.6392 | |
| 360 | Q | A | -1.0960 | |
| 361 | E | A | -1.6617 | |
| 362 | Q | A | -2.3862 | |
| 363 | H | A | -2.8585 | |
| 364 | R | A | -2.7476 | |
| 365 | Q | A | -2.4411 | |
| 366 | K | A | -3.1725 | |
| 367 | H | A | -2.6198 | |
| 368 | F | A | -1.1746 | |
| 369 | E | A | -3.3249 | |
| 370 | K | A | -3.4752 | |
| 371 | R | A | -2.5045 | |
| 372 | R | A | -3.4915 | |
| 373 | K | A | -3.3954 | |
| 374 | P | A | -2.2958 | |
| 375 | A | A | -1.3603 | |
| 376 | A | A | -0.6613 | |
| 377 | E | A | -0.7702 | |
| 378 | L | A | -0.1158 | |
| 379 | I | A | 1.7000 | |
| 380 | Q | A | 0.3133 | |
| 381 | A | A | 0.0000 | |
| 382 | A | A | 0.8066 | |
| 383 | W | A | 1.1943 | |
| 384 | R | A | 0.0925 | |
| 385 | Y | A | 0.9499 | |
| 386 | Y | A | 0.7777 | |
| 387 | A | A | 0.0000 | |
| 388 | T | A | 0.0000 | |
| 389 | N | A | -0.8271 | |
| 390 | P | A | -1.3148 | |
| 391 | N | A | -2.0576 | |
| 392 | R | A | -1.9232 | |
| 393 | I | A | 0.1557 | |
| 394 | D | A | -1.2347 | |
| 395 | L | A | -0.1913 | |
| 396 | V | A | 0.3872 | |
| 397 | A | A | 0.2040 | |
| 398 | T | A | 0.0000 | |
| 399 | W | A | 0.0492 | |
| 400 | R | A | -0.6659 | |
| 401 | F | A | 1.3822 | |
| 402 | Y | A | 0.0000 | |
| 403 | E | A | 0.1620 | |
| 404 | S | A | 1.0214 | |
| 405 | V | A | 2.4212 | |
| 406 | V | A | 2.1322 | |
| 407 | S | A | 2.2284 | |
| 408 | F | A | 2.6151 | |
| 409 | P | A | 1.7263 | |
| 410 | F | A | 1.9748 | |
| 411 | F | A | 1.0565 | |
| 412 | R | A | -1.4699 | |
| 413 | K | A | -2.3847 | |
| 414 | E | A | -2.8730 | |
| 415 | Q | A | -2.2222 | |
| 416 | L | A | -1.0691 | |
| 417 | E | A | -2.4056 | |
| 418 | A | A | -1.2595 | |
| 419 | A | A | -1.2126 | |
| 420 | S | A | -1.1067 | |
| 421 | S | A | -1.1921 | |
| 422 | Q | A | -1.6617 | |
| 423 | K | A | -1.2049 | |
| 424 | L | A | 0.5429 | |
| 425 | G | A | 0.0990 | |
| 426 | L | A | 1.2505 | |
| 427 | L | A | 0.9652 | |
| 428 | D | A | -1.1387 | |
| 429 | R | A | -1.3263 | |
| 430 | V | A | 0.4767 | |
| 431 | R | A | -0.9485 | |
| 432 | L | A | 0.2738 | |
| 433 | S | A | -0.4495 | |
| 434 | N | A | -1.5624 | |
| 435 | P | A | -1.9586 | |
| 436 | R | A | -2.5126 | |
| 437 | G | A | -1.8074 | |
| 438 | S | A | -1.7826 | |
| 439 | N | A | -1.8957 | |
| 440 | T | A | -1.6692 | |
| 441 | K | A | -2.4525 | |
| 442 | G | A | -1.7906 | |
| 443 | K | A | -0.9904 | |
| 444 | L | A | 1.2109 | |
| 445 | F | A | 2.2274 | |
| 446 | T | A | 1.3965 | |
| 447 | P | A | 0.5988 | |
| 448 | L | A | 1.1355 | |
| 449 | N | A | -0.0348 | |
| 450 | V | A | 0.6468 | |
| 451 | D | A | -0.8423 | |
| 452 | A | A | 0.1378 | |
| 453 | I | A | 0.3511 | |
| 454 | E | A | -2.0237 | |
| 455 | E | A | -2.5505 | |
| 456 | S | A | -1.8542 | |
| 457 | P | A | -1.4415 | |
| 458 | S | A | -1.7908 | |
| 459 | K | A | -3.0396 | |
| 460 | E | A | -3.2788 | |
| 461 | P | A | -2.2090 | |
| 462 | K | A | -2.2023 | |
| 463 | P | A | -0.4378 | |
| 464 | V | A | 1.1228 | |
| 465 | G | A | 0.2159 | |
| 466 | L | A | -0.0102 | |
| 467 | N | A | -2.0115 | |
| 468 | N | A | -2.8804 | |
| 469 | K | A | -3.2854 | |
| 470 | E | A | -3.7468 | |
| 471 | R | A | -3.3841 | |
| 472 | F | A | -1.3914 | |
| 473 | R | A | -2.4537 | |
| 474 | T | A | -1.7544 | |
| 475 | A | A | -0.3725 | |
| 476 | F | A | 0.4212 | |
| 477 | R | A | -0.6562 | |
| 478 | M | A | 0.6827 | |
| 479 | K | A | 0.1758 | |
| 480 | A | A | 0.9062 | |
| 481 | Y | A | 1.6637 | |
| 482 | A | A | 1.1709 | |
| 483 | F | A | 2.0475 | |
| 484 | W | A | 1.3073 | |
| 485 | Q | A | -0.7799 | |
| 486 | S | A | -0.6546 | |
| 487 | S | A | -1.3655 | |
| 488 | E | A | -3.0219 | |
| 489 | D | A | -3.1092 | |
| 490 | A | A | -1.6654 | |
| 491 | G | A | -1.6059 | |
| 492 | T | A | -1.1181 | |
| 493 | G | A | -1.5248 | |
| 494 | D | A | -2.2285 | |
| 495 | P | A | -1.4652 | |
| 496 | T | A | -0.9102 | |
| 497 | A | A | -1.4136 | |
| 498 | E | A | -3.0298 | |
| 499 | D | A | -3.4816 | |
| 500 | R | A | -3.0252 | |
| 501 | G | A | -1.3977 | |
| 502 | Y | A | -0.3497 | |
| 503 | G | A | -1.0383 | |
| 504 | N | A | -1.4587 | |
| 505 | D | A | -1.1969 | |
| 506 | F | A | 0.7112 | |
| 507 | P | A | 0.1685 | |
| 508 | I | A | 0.9843 | |
| 509 | E | A | -1.0779 | |
| 510 | D | A | -1.5197 | |
| 511 | M | A | 0.0351 | |
| 512 | I | A | 1.2976 | |
| 513 | P | A | 0.2507 | |
| 514 | T | A | 0.5089 | |
| 515 | L | A | 0.5815 | |
| 516 | K | A | -0.2732 | |
| 517 | A | A | 0.0003 | |
| 518 | A | A | 0.3196 | |
| 519 | I | A | 0.2169 | |
| 520 | R | A | -0.2141 | |
| 521 | A | A | 0.3774 | |
| 522 | V | A | 0.5972 | |
| 523 | R | A | 0.1947 | |
| 524 | I | A | 0.3195 | |
| 525 | L | A | 0.2005 | |
| 526 | Q | A | -0.4110 | |
| 527 | F | A | -0.5130 | |
| 528 | R | A | -2.0414 | |
| 529 | L | A | -1.4916 | |
| 530 | Y | A | -1.4278 | |
| 531 | K | A | -2.5421 | |
| 532 | K | A | -3.7870 | |
| 533 | K | A | -3.4199 | |
| 534 | F | A | -2.9372 | |
| 535 | K | A | -3.2773 | |
| 536 | E | A | -3.6528 | |
| 537 | T | A | -2.2529 | |
| 538 | L | A | -1.0269 | |
| 539 | R | A | -2.2763 | |
| 540 | P | A | -1.3463 | |
| 541 | Y | A | -0.2675 | |
| 542 | D | A | -1.0614 | |
| 543 | V | A | 0.3690 | |
| 544 | K | A | -1.4332 | |
| 545 | D | A | -1.4296 | |
| 546 | V | A | -0.0099 | |
| 547 | I | A | 0.1467 | |
| 548 | E | A | -1.7254 | |
| 549 | Q | A | -1.2334 | |
| 550 | Y | A | 0.1619 | |
| 551 | S | A | -0.2155 | |
| 552 | A | A | -0.4394 | |
| 553 | G | A | -0.4722 | |
| 554 | H | A | -0.8088 | |
| 555 | L | A | -0.3298 | |
| 556 | D | A | -0.7702 | |
| 557 | M | A | -0.2295 | |
| 558 | L | A | -0.0821 | |
| 559 | S | A | -0.8053 | |
| 560 | R | A | -1.3206 | |
| 561 | I | A | -0.3846 | |
| 562 | K | A | -1.4407 | |
| 563 | Y | A | -0.2271 | |
| 564 | L | A | -0.2481 | |
| 565 | Q | A | -1.4712 | |
| 566 | T | A | -1.0859 | |
| 567 | R | A | -0.6073 | |
| 568 | I | A | 0.2489 | |
| 569 | D | A | -0.4794 | |
| 570 | M | A | 0.8026 | |
| 571 | I | A | 1.6744 | |
| 572 | F | A | 2.0616 | |
| 573 | T | A | 0.8492 | |
| 574 | P | A | 0.3050 | |
| 575 | G | A | -0.2630 | |
| 576 | P | A | -0.7409 | |
| 577 | P | A | -0.6875 | |
| 578 | S | A | -0.7948 | |
| 579 | T | A | -0.7847 | |
| 580 | P | A | -1.5846 | |
| 581 | K | A | -2.7073 | |
| 582 | H | A | -3.1320 | |
| 583 | K | A | -3.6031 | |
| 584 | K | A | -3.1319 | |
| 585 | S | A | -2.3987 | |
| 586 | Q | A | -2.7424 | |
| 587 | K | A | -2.5860 | |
| 588 | G | A | -1.6179 | |
| 589 | S | A | -0.3728 | |
| 590 | A | A | 0.7759 | |
| 591 | F | A | 2.3188 | |
| 592 | T | A | 1.7958 | |
| 593 | F | A | 2.1558 | |
| 594 | P | A | 0.3273 | |
| 595 | S | A | -0.7142 | |
| 596 | Q | A | -1.9852 | |
| 597 | Q | A | -1.9854 | |
| 598 | S | A | -1.5697 | |
| 599 | P | A | -1.7812 | |
| 600 | R | A | -2.9798 | |
| 601 | N | A | -3.1711 | |
| 602 | E | A | -2.4438 | |
| 603 | P | A | -0.6080 | |
| 604 | Y | A | 1.6438 | |
| 605 | V | A | 1.8716 | |
| 606 | A | A | 0.2419 | |
| 607 | R | A | -1.6411 | |
| 608 | P | A | -1.2731 | |
| 609 | S | A | -0.9990 | |
| 610 | T | A | -0.5321 | |
| 611 | S | A | -0.9366 | |
| 612 | E | A | -1.6695 | |
| 613 | I | A | -0.4216 | |
| 614 | E | A | -2.5459 | |
| 615 | D | A | -2.9913 | |
| 616 | Q | A | -2.3392 | |
| 617 | S | A | -1.1288 | |
| 618 | M | A | 0.1142 | |
| 619 | M | A | -0.0562 | |
| 620 | G | A | -0.9638 | |
| 621 | K | A | -1.6020 | |
| 622 | F | A | 0.1323 | |
| 623 | V | A | -0.7823 | |
| 624 | K | A | -2.1844 | |
| 625 | V | A | -1.0123 | |
| 626 | E | A | -1.6749 | |
| 627 | R | A | -2.4122 | |
| 628 | Q | A | -2.6683 | |
| 629 | V | A | -1.8469 | |
| 630 | Q | A | -2.9039 | |
| 631 | D | A | -3.4258 | |
| 632 | M | A | -1.7049 | |
| 633 | G | A | -1.9114 | |
| 634 | K | A | -2.6612 | |
| 635 | K | A | -1.5326 | |
| 636 | L | A | 0.1554 | |
| 637 | D | A | -1.2259 | |
| 638 | F | A | 0.1819 | |
| 639 | L | A | 0.7150 | |
| 640 | V | A | 0.7261 | |
| 641 | D | A | -1.0110 | |
| 642 | M | A | -0.4468 | |
| 643 | H | A | -0.8605 | |
| 644 | M | A | -1.1588 | |
| 645 | Q | A | -2.4595 | |
| 646 | H | A | -2.5585 | |
| 647 | M | A | -1.3738 | |
| 648 | E | A | -2.9130 | |
| 649 | R | A | -2.5251 | |
| 650 | L | A | -0.8225 | |
| 651 | Q | A | -1.3201 | |
| 652 | V | A | 0.1061 | |
| 653 | Q | A | -0.5540 | |
| 654 | V | A | 1.2260 | |
| 655 | T | A | 0.5090 | |
| 656 | E | A | -0.5378 | |
| 657 | Y | A | 1.2431 | |
| 658 | Y | A | 1.4077 | |
| 659 | P | A | 0.0068 | |
| 660 | T | A | -0.8001 | |
| 661 | K | A | -1.8652 | |
| 662 | G | A | -1.4163 | |
| 663 | T | A | -0.7743 | |
| 664 | S | A | -0.4668 | |
| 665 | S | A | -0.7126 | |
| 666 | P | A | -1.0835 | |
| 667 | A | A | -1.5433 | |
| 668 | E | A | -3.2373 | |
| 669 | A | A | -3.2442 | |
| 670 | E | A | -4.5638 | |
| 671 | K | A | -5.0959 | |
| 672 | K | A | -5.0464 | |
| 673 | E | A | -4.5312 | |
| 674 | D | A | -4.5469 | |
| 675 | N | A | -4.5423 | |
| 676 | R | A | -3.8715 | |
| 677 | Y | A | -1.7567 | |
| 678 | S | A | -1.9277 | |
| 679 | D | A | -2.0447 | |
| 680 | L | A | 0.0169 | |
| 681 | K | A | -0.8128 | |
| 682 | T | A | 0.2571 | |
| 683 | I | A | 1.4361 | |
| 684 | I | A | 1.9732 | |
| 685 | C | A | 0.8531 | |
| 686 | N | A | -0.1489 | |
| 687 | Y | A | 1.1746 | |
| 688 | S | A | -0.1742 | |
| 689 | E | A | -1.7514 | |
| 690 | T | A | -1.2344 | |
| 691 | G | A | -1.1771 | |
| 692 | P | A | -1.2120 | |
| 693 | P | A | -1.4022 | |
| 694 | E | A | -2.1879 | |
| 695 | P | A | -1.2230 | |
| 696 | P | A | -0.1611 | |
| 697 | Y | A | 1.4152 | |
| 698 | S | A | 1.1104 | |
| 699 | F | A | 1.3253 | |
| 700 | H | A | -0.2664 | |
| 701 | Q | A | -0.4635 | |
| 702 | V | A | 1.2967 | |
| 703 | P | A | 1.0672 | |
| 704 | I | A | 1.0620 | |
| 705 | D | A | -1.2602 | |
| 706 | K | A | -1.2451 | |
| 707 | V | A | 0.2958 | |
| 708 | S | A | 0.3535 | |
| 709 | P | A | 0.3463 | |
| 710 | Y | A | 1.5004 | |
| 711 | G | A | 1.5676 | |
| 712 | F | A | 2.9597 | |
| 713 | F | A | 2.8585 | |
| 714 | A | A | 0.8028 | |
| 715 | H | A | -1.2621 | |
| 716 | D | A | -2.1123 | |
| 717 | P | A | -0.8312 | |
| 718 | V | A | 0.9267 | |
| 719 | N | A | 0.1417 | |
| 720 | L | A | 0.7536 | |
| 721 | P | A | -0.7781 | |
| 722 | R | A | -2.0010 | |
| 723 | G | A | -1.6887 | |
| 724 | G | A | -1.2335 | |
| 725 | P | A | -0.6920 | |
| 726 | S | A | -0.5536 | |
| 727 | T | A | -0.8001 | |
| 728 | G | A | -0.9968 | |
| 729 | K | A | -1.2895 | |
| 730 | V | A | 0.2730 | |
| 731 | Q | A | -0.6166 | |
| 732 | A | A | -0.2222 | |
| 733 | A | A | -0.3231 | |
| 734 | P | A | -0.4021 | |
| 735 | P | A | -0.5218 | |
| 736 | S | A | -0.4890 | |
| 737 | S | A | -0.3542 | |
| 738 | A | A | -0.1417 | |
| 739 | T | A | 0.1761 | |
| 740 | T | A | 0.5629 | |
| 741 | Y | A | 0.6760 | |
| 742 | A | A | -0.8532 | |
| 743 | E | A | -2.5725 | |
| 744 | R | A | -2.8467 | |
| 745 | P | A | -1.2547 | |
| 746 | T | A | 0.6835 | |
| 747 | V | A | 2.5743 | |
| 748 | L | A | 2.9279 | |
| 749 | P | A | 2.1938 | |
| 750 | I | A | 3.1657 | |
| 751 | L | A | 3.1210 | |
| 752 | T | A | 2.1905 | |
| 753 | L | A | 2.2025 | |
| 754 | L | A | 1.4640 | |
| 755 | D | A | -1.0059 | |
| 756 | S | A | -1.2205 | |
| 757 | R | A | -1.3213 | |
| 758 | V | A | 0.7599 | |
| 759 | S | A | 0.4227 | |
| 760 | C | A | 0.4431 | |
| 761 | H | A | -1.0664 | |
| 762 | S | A | -1.1969 | |
| 763 | Q | A | -1.8612 | |
| 764 | A | A | -1.2895 | |
| 765 | D | A | -1.4227 | |
| 766 | L | A | -0.0907 | |
| 767 | Q | A | -1.1515 | |
| 768 | G | A | -0.5856 | |
| 769 | P | A | -0.2117 | |
| 770 | Y | A | 0.6305 | |
| 771 | S | A | -0.8933 | |
| 772 | D | A | -2.0833 | |
| 773 | R | A | -1.6951 | |
| 774 | I | A | 0.4736 | |
| 775 | S | A | -0.0611 | |
| 776 | P | A | -0.7619 | |
| 777 | Q | A | -2.3431 | |
| 778 | Q | A | -3.0849 | |
| 779 | R | A | -3.6246 | |
| 780 | R | A | -2.6843 | |
| 781 | S | A | -0.7081 | |
| 782 | I | A | 1.0549 | |
| 783 | T | A | -0.5269 | |
| 784 | R | A | -2.6602 | |
| 785 | D | A | -3.3514 | |
| 786 | S | A | -2.6442 | |
| 787 | D | A | -2.5900 | |
| 788 | T | A | -0.7733 | |
| 789 | P | A | 0.0449 | |
| 790 | L | A | 1.6262 | |
| 791 | S | A | 1.5583 | |
| 792 | L | A | 2.2399 | |
| 793 | M | A | 1.9310 | |
| 794 | S | A | 1.3418 | |
| 795 | V | A | 0.7823 | |
| 796 | N | A | -1.0951 | |
| 797 | H | A | -2.3511 | |
| 798 | E | A | -3.1603 | |
| 799 | E | A | -2.6725 | |
| 800 | L | A | -1.3515 | |
| 801 | E | A | -2.6305 | |
| 802 | R | A | -2.7517 | |
| 803 | S | A | -1.5989 | |
| 804 | P | A | -0.8377 | |
| 805 | S | A | -0.5147 | |
| 806 | G | A | 0.4695 | |
| 807 | F | A | 1.9962 | |
| 808 | S | A | 1.3536 | |
| 809 | I | A | 1.9472 | |
| 810 | S | A | -0.3996 | |
| 811 | Q | A | -2.3799 | |
| 812 | D | A | -3.7758 | |
| 813 | R | A | -4.2353 | |
| 814 | D | A | -3.7593 | |
| 815 | D | A | -2.2068 | |
| 816 | Y | A | 1.3880 | |
| 817 | V | A | 2.8404 | |
| 818 | F | A | 2.6687 | |
| 819 | G | A | 0.6129 | |
| 820 | P | A | -0.7556 | |
| 821 | N | A | -1.8051 | |
| 822 | G | A | -1.3982 | |
| 823 | G | A | -1.1077 | |
| 824 | S | A | -0.4042 | |
| 825 | S | A | 0.3567 | |
| 826 | W | A | 1.1189 | |
| 827 | M | A | 0.1538 | |
| 828 | R | A | -2.3291 | |
| 829 | E | A | -3.7650 | |
| 830 | K | A | -3.6388 | |
| 831 | R | A | -2.1828 | |
| 832 | Y | A | 0.8257 | |
| 833 | L | A | 1.3582 | |
| 834 | A | A | 0.1617 | |
| 835 | E | A | -2.0232 | |
| 836 | G | A | -2.4126 | |
| 837 | E | A | -2.9170 | |
| 838 | T | A | -2.1596 | |
| 839 | D | A | -2.6956 | |
| 840 | T | A | -1.9283 | |
| 841 | D | A | -2.5684 | |
| 842 | T | A | -1.8678 | |
| 843 | D | A | -1.9011 | |
| 844 | P | A | -0.2918 | |
| 845 | F | A | 1.3618 | |
| 846 | T | A | 0.5918 | |
| 847 | P | A | -0.0418 | |
| 848 | S | A | -0.6683 | |
| 849 | G | A | -0.5484 | |
| 850 | S | A | -0.0396 | |
| 851 | M | A | 1.1202 | |
| 852 | P | A | 1.0631 | |
| 853 | L | A | 1.5319 | |
| 854 | S | A | 0.2948 | |
| 855 | S | A | -0.1334 | |
| 856 | T | A | -0.8564 | |
| 857 | G | A | -1.5271 | |
| 858 | D | A | -1.8587 | |
| 859 | G | A | -0.6659 | |
| 860 | I | A | 0.9611 | |
| 861 | S | A | -0.2777 | |
| 862 | D | A | -1.2181 | |
| 863 | S | A | 0.0094 | |
| 864 | V | A | 1.8334 | |
| 865 | W | A | 1.9052 | |
| 866 | T | A | 0.6508 | |
| 867 | P | A | -0.3963 | |
| 868 | S | A | -1.3615 | |
| 869 | N | A | -2.0747 | |
| 870 | K | A | -2.0738 | |
| 871 | P | A | -0.3813 | |
| 872 | I | A | 1.3827 |
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 | -0.004 | 7.4938 | View | CSV | PDB |
| 4.5 | -0.0864 | 7.4938 | View | CSV | PDB |
| 5.0 | -0.1862 | 7.4938 | View | CSV | PDB |
| 5.5 | -0.2834 | 7.4938 | View | CSV | PDB |
| 6.0 | -0.3586 | 7.4938 | View | CSV | PDB |
| 6.5 | -0.4005 | 7.4937 | View | CSV | PDB |
| 7.0 | -0.4098 | 7.4937 | View | CSV | PDB |
| 7.5 | -0.3961 | 7.4937 | View | CSV | PDB |
| 8.0 | -0.3688 | 7.4936 | View | CSV | PDB |
| 8.5 | -0.3306 | 7.4934 | View | CSV | PDB |
| 9.0 | -0.2803 | 7.4926 | 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