| Chain sequence(s) | MAPGPFSSGLLSPPPAALPFLLLLWAGASRGQPCPGRCICQNVAPTLTMLCAKTGLLFVPPAIDRRVVELRLTDNFIAAVRRRDFANMTSLVHLTLSRNTIGQVAAGAFADLRALRALHLDSNRLAEVRGDQLRGLGNLRHLILGNNQIRKVESAAFDAFLSTVEDLDLSYNNLEALPWEAVGQMVNLNTLTLDHNLIDHIAEGTFVQLHKLVRLDMTSNRLHKLPPDGLFLRSQGGGPKPPTPLTVSFGGNPLHCNCELLWLRRLTREDDLETCATPEHLTDRYFWSIPEEEFLCEPPLITRQAGGRALVVEGQAVSLRCRAVGDPEPVVHWVAPDGRLLGNSSRTRVRGDGTLDVTITTLRDSGTFTCIASNAAGEATAPVEVCVVPLPLMAPPPAAPPPLTEPGSSDIATPGRPGANDSATERRLVAAELTSSSVLIRWPAQRPVPGIRMYQVQYNSSADDSLVYRMIPSTSQTFLVNDLAAGRAYDLCVLAVYDDGATALPATRVVGCVQFTTAGDPAPCRPLRAHFLGGTMIIAIGGVIVASVLVFIVLLMIRYKVYGDGDSRRIKGTSRSPPRVSHVCSQTNGSSAQQASAPPAPDRYEALREVAVPAAIEAKAMEAEATSTELEVVLGRSLGGSATSLCLLPSEETSGEESRAVTGPRRSRSGALGPPTSAPPTLALVRGGSPARPRPQQRYSFDGDYGALFQSHSYPRRARRTKRHRSTPHLDGAGGGAAGEDGDLGLGSARARLAFTSTEWMLESTV 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/12f4dceada40fd/tmp/folded.pdb (00:10:39)
[INFO] Main: Simulation completed successfully. (00:21:59)
|
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 | 1.0281 | |
| 2 | A | A | 0.4105 | |
| 3 | P | A | -0.2782 | |
| 4 | G | A | -0.3270 | |
| 5 | P | A | 0.3182 | |
| 6 | F | A | 1.5546 | |
| 7 | S | A | 0.6315 | |
| 8 | S | A | 0.4218 | |
| 9 | G | A | 0.4473 | |
| 10 | L | A | 2.0099 | |
| 11 | L | A | 2.0482 | |
| 12 | S | A | 0.6789 | |
| 13 | P | A | -0.1868 | |
| 14 | P | A | -0.5274 | |
| 15 | P | A | -0.1093 | |
| 16 | A | A | 0.4682 | |
| 17 | A | A | 1.3624 | |
| 18 | L | A | 2.6189 | |
| 19 | P | A | 2.5053 | |
| 20 | F | A | 3.9248 | |
| 21 | L | A | 3.7261 | |
| 22 | L | A | 3.9627 | |
| 23 | L | A | 4.1107 | |
| 24 | L | A | 3.7202 | |
| 25 | W | A | 3.0423 | |
| 26 | A | A | 1.5339 | |
| 27 | G | A | 0.5444 | |
| 28 | A | A | 0.0440 | |
| 29 | S | A | -1.3395 | |
| 30 | R | A | -2.4953 | |
| 31 | G | A | -1.8208 | |
| 32 | Q | A | -1.7471 | |
| 33 | P | A | -0.9520 | |
| 34 | C | A | -0.1281 | |
| 35 | P | A | -0.4426 | |
| 36 | G | A | -0.9614 | |
| 37 | R | A | -1.7295 | |
| 38 | C | A | -0.1483 | |
| 39 | I | A | 1.4456 | |
| 40 | C | A | 0.5550 | |
| 41 | Q | A | -0.1107 | |
| 42 | N | A | -0.5688 | |
| 43 | V | A | 0.9665 | |
| 44 | A | A | 0.3388 | |
| 45 | P | A | 0.1067 | |
| 46 | T | A | -0.1202 | |
| 47 | L | A | -0.5297 | |
| 48 | T | A | -0.1995 | |
| 49 | M | A | 0.0000 | |
| 50 | L | A | 0.1550 | |
| 51 | C | A | 0.0000 | |
| 52 | A | A | -1.2092 | |
| 53 | K | A | -2.0037 | |
| 54 | T | A | -1.0978 | |
| 55 | G | A | -0.1115 | |
| 56 | L | A | 1.1247 | |
| 57 | L | A | 2.8521 | |
| 58 | F | A | 2.2763 | |
| 59 | V | A | 0.0000 | |
| 60 | P | A | 0.0000 | |
| 61 | P | A | -0.3568 | |
| 62 | A | A | -0.2336 | |
| 63 | I | A | 0.0000 | |
| 64 | D | A | -1.2288 | |
| 65 | R | A | -1.7735 | |
| 66 | R | A | -2.2864 | |
| 67 | V | A | 0.0000 | |
| 68 | V | A | -0.3163 | |
| 69 | E | A | -0.5673 | |
| 70 | L | A | 0.0000 | |
| 71 | R | A | -0.8992 | |
| 72 | L | A | 0.0000 | |
| 73 | T | A | -1.0714 | |
| 74 | D | A | -1.2709 | |
| 75 | N | A | 0.0000 | |
| 76 | F | A | 2.2037 | |
| 77 | I | A | 0.0000 | |
| 78 | A | A | 0.6356 | |
| 79 | A | A | -0.0783 | |
| 80 | V | A | 0.0000 | |
| 81 | R | A | -2.0253 | |
| 82 | R | A | -3.1173 | |
| 83 | R | A | -3.1199 | |
| 84 | D | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | A | A | -2.1733 | |
| 87 | N | A | -2.5036 | |
| 88 | M | A | 0.0000 | |
| 89 | T | A | -1.6667 | |
| 90 | S | A | -1.2598 | |
| 91 | L | A | 0.0000 | |
| 92 | V | A | -0.3549 | |
| 93 | H | A | -0.4878 | |
| 94 | L | A | 0.0000 | |
| 95 | T | A | -0.7520 | |
| 96 | L | A | 0.0000 | |
| 97 | S | A | 0.0000 | |
| 98 | R | A | -1.7528 | |
| 99 | N | A | 0.0000 | |
| 100 | T | A | -0.1890 | |
| 101 | I | A | 0.0000 | |
| 102 | G | A | -1.6604 | |
| 103 | Q | A | -1.7412 | |
| 104 | V | A | 0.0000 | |
| 105 | A | A | -1.4346 | |
| 106 | A | A | -1.2798 | |
| 107 | G | A | -1.6720 | |
| 108 | A | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | A | A | -2.1197 | |
| 111 | D | A | -2.5680 | |
| 112 | L | A | 0.0000 | |
| 113 | R | A | -2.9245 | |
| 114 | A | A | -1.4199 | |
| 115 | L | A | 0.0000 | |
| 116 | R | A | -1.5193 | |
| 117 | A | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | H | A | -0.5657 | |
| 120 | L | A | 0.0000 | |
| 121 | D | A | -1.2120 | |
| 122 | S | A | -1.6731 | |
| 123 | N | A | 0.0000 | |
| 124 | R | A | -2.9195 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | -2.5129 | |
| 127 | E | A | -3.2663 | |
| 128 | V | A | 0.0000 | |
| 129 | R | A | -2.6100 | |
| 130 | G | A | 0.0000 | |
| 131 | D | A | -1.6326 | |
| 132 | Q | A | -1.6527 | |
| 133 | L | A | 0.0000 | |
| 134 | R | A | -2.9565 | |
| 135 | G | A | -2.3346 | |
| 136 | L | A | 0.0000 | |
| 137 | G | A | -1.9912 | |
| 138 | N | A | -1.8167 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -1.5957 | |
| 141 | H | A | -1.1037 | |
| 142 | L | A | 0.0000 | |
| 143 | I | A | -0.2993 | |
| 144 | L | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | N | A | -1.9289 | |
| 147 | N | A | 0.0000 | |
| 148 | Q | A | -2.9709 | |
| 149 | I | A | 0.0000 | |
| 150 | R | A | -3.8340 | |
| 151 | K | A | -3.9895 | |
| 152 | V | A | 0.0000 | |
| 153 | E | A | -2.2088 | |
| 154 | S | A | -1.6308 | |
| 155 | A | A | -1.6130 | |
| 156 | A | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | D | A | -2.2310 | |
| 159 | A | A | -1.6707 | |
| 160 | F | A | 0.0000 | |
| 161 | L | A | -0.8844 | |
| 162 | S | A | -0.7098 | |
| 163 | T | A | -0.7820 | |
| 164 | V | A | 0.0000 | |
| 165 | E | A | -1.4221 | |
| 166 | D | A | -1.0989 | |
| 167 | L | A | 0.0000 | |
| 168 | D | A | -0.4005 | |
| 169 | L | A | 0.0000 | |
| 170 | S | A | -0.4409 | |
| 171 | Y | A | -0.4993 | |
| 172 | N | A | 0.0000 | |
| 173 | N | A | -2.5385 | |
| 174 | L | A | 0.0000 | |
| 175 | E | A | -2.8602 | |
| 176 | A | A | -1.7328 | |
| 177 | L | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | W | A | 0.0000 | |
| 180 | E | A | -2.3235 | |
| 181 | A | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | G | A | -1.0198 | |
| 184 | Q | A | -1.3041 | |
| 185 | M | A | 0.0000 | |
| 186 | V | A | -0.1806 | |
| 187 | N | A | -1.1037 | |
| 188 | L | A | 0.0000 | |
| 189 | N | A | -1.3238 | |
| 190 | T | A | -1.0615 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | D | A | -0.3439 | |
| 195 | H | A | -0.6490 | |
| 196 | N | A | 0.0000 | |
| 197 | L | A | -1.1502 | |
| 198 | I | A | 0.0000 | |
| 199 | D | A | -1.8339 | |
| 200 | H | A | -2.0350 | |
| 201 | I | A | 0.0000 | |
| 202 | A | A | -1.5095 | |
| 203 | E | A | -2.2042 | |
| 204 | G | A | -1.2768 | |
| 205 | T | A | 0.0000 | |
| 206 | F | A | 0.0000 | |
| 207 | V | A | 0.6533 | |
| 208 | Q | A | -0.5324 | |
| 209 | L | A | 0.0000 | |
| 210 | H | A | -1.5273 | |
| 211 | K | A | -2.2903 | |
| 212 | L | A | 0.0000 | |
| 213 | V | A | -0.7427 | |
| 214 | R | A | -1.3134 | |
| 215 | L | A | 0.0000 | |
| 216 | D | A | -0.6625 | |
| 217 | M | A | 0.0000 | |
| 218 | T | A | -0.7265 | |
| 219 | S | A | -0.5248 | |
| 220 | N | A | 0.0000 | |
| 221 | R | A | -1.5403 | |
| 222 | L | A | 0.0000 | |
| 223 | H | A | -1.5363 | |
| 224 | K | A | -1.4401 | |
| 225 | L | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | P | A | -0.7426 | |
| 228 | D | A | -0.3466 | |
| 229 | G | A | -0.0069 | |
| 230 | L | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | L | A | 0.7691 | |
| 233 | R | A | -0.3048 | |
| 234 | S | A | -0.5114 | |
| 235 | Q | A | -1.3003 | |
| 236 | G | A | -1.5969 | |
| 237 | G | A | -1.4484 | |
| 238 | G | A | -1.4267 | |
| 239 | P | A | -1.5400 | |
| 240 | K | A | -2.3580 | |
| 241 | P | A | -1.2369 | |
| 242 | P | A | -0.8571 | |
| 243 | T | A | -0.8781 | |
| 244 | P | A | -0.8459 | |
| 245 | L | A | 0.0000 | |
| 246 | T | A | -0.5662 | |
| 247 | V | A | 0.0000 | |
| 248 | S | A | -0.7273 | |
| 249 | F | A | 0.0000 | |
| 250 | G | A | -0.8281 | |
| 251 | G | A | -0.7939 | |
| 252 | N | A | 0.0000 | |
| 253 | P | A | -0.9641 | |
| 254 | L | A | 0.0000 | |
| 255 | H | A | -0.8403 | |
| 256 | C | A | 0.0000 | |
| 257 | N | A | 0.0000 | |
| 258 | C | A | -0.1944 | |
| 259 | E | A | -0.2893 | |
| 260 | L | A | 0.0000 | |
| 261 | L | A | -0.6562 | |
| 262 | W | A | -0.4126 | |
| 263 | L | A | 0.0000 | |
| 264 | R | A | -1.2128 | |
| 265 | R | A | -1.8933 | |
| 266 | L | A | 0.0000 | |
| 267 | T | A | -1.4668 | |
| 268 | R | A | -2.4401 | |
| 269 | E | A | -3.2945 | |
| 270 | D | A | -3.2076 | |
| 271 | D | A | -2.7094 | |
| 272 | L | A | -0.7575 | |
| 273 | E | A | 0.0000 | |
| 274 | T | A | -0.6928 | |
| 275 | C | A | 0.0000 | |
| 276 | A | A | -1.2612 | |
| 277 | T | A | -1.3692 | |
| 278 | P | A | -1.2679 | |
| 279 | E | A | -2.4603 | |
| 280 | H | A | -2.1349 | |
| 281 | L | A | 0.0000 | |
| 282 | T | A | -2.0485 | |
| 283 | D | A | -2.5396 | |
| 284 | R | A | -1.6889 | |
| 285 | Y | A | -0.4577 | |
| 286 | F | A | 0.0000 | |
| 287 | W | A | -1.0881 | |
| 288 | S | A | -0.3674 | |
| 289 | I | A | 0.0000 | |
| 290 | P | A | -1.4796 | |
| 291 | E | A | -2.0135 | |
| 292 | E | A | -2.3208 | |
| 293 | E | A | -1.7339 | |
| 294 | F | A | 0.0000 | |
| 295 | L | A | -0.1017 | |
| 296 | C | A | -0.7606 | |
| 297 | E | A | -1.7119 | |
| 298 | P | A | -1.2684 | |
| 299 | P | A | 0.0000 | |
| 300 | L | A | 0.8037 | |
| 301 | I | A | -0.0674 | |
| 302 | T | A | -0.8183 | |
| 303 | R | A | -2.7479 | |
| 304 | Q | A | -2.4507 | |
| 305 | A | A | -2.2614 | |
| 306 | G | A | -2.0337 | |
| 307 | G | A | -2.1211 | |
| 308 | R | A | -2.4876 | |
| 309 | A | A | -0.7372 | |
| 310 | L | A | 1.1611 | |
| 311 | V | A | 1.0685 | |
| 312 | V | A | 1.2876 | |
| 313 | E | A | 0.3075 | |
| 314 | G | A | 0.0527 | |
| 315 | Q | A | -0.4440 | |
| 316 | A | A | -0.0805 | |
| 317 | V | A | 0.1307 | |
| 318 | S | A | -0.6884 | |
| 319 | L | A | 0.0000 | |
| 320 | R | A | -2.7058 | |
| 321 | C | A | 0.0000 | |
| 322 | R | A | -2.5593 | |
| 323 | A | A | 0.0000 | |
| 324 | V | A | -0.0024 | |
| 325 | G | A | -0.6086 | |
| 326 | D | A | -1.2803 | |
| 327 | P | A | -1.1313 | |
| 328 | E | A | -1.6239 | |
| 329 | P | A | -0.4966 | |
| 330 | V | A | 0.6882 | |
| 331 | V | A | -0.2660 | |
| 332 | H | A | -0.0078 | |
| 333 | W | A | 0.0000 | |
| 334 | V | A | -0.6681 | |
| 335 | A | A | -1.3520 | |
| 336 | P | A | -1.9877 | |
| 337 | D | A | -2.8269 | |
| 338 | G | A | -2.0005 | |
| 339 | R | A | -2.2177 | |
| 340 | L | A | -0.6374 | |
| 341 | L | A | -0.7659 | |
| 342 | G | A | -1.5418 | |
| 343 | N | A | -2.2563 | |
| 344 | S | A | -1.5111 | |
| 345 | S | A | -0.9442 | |
| 346 | R | A | -0.9063 | |
| 347 | T | A | -1.3539 | |
| 348 | R | A | -2.3791 | |
| 349 | V | A | -1.7946 | |
| 350 | R | A | -1.9510 | |
| 351 | G | A | -1.4012 | |
| 352 | D | A | -2.1414 | |
| 353 | G | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | D | A | -1.0554 | |
| 357 | V | A | 0.0000 | |
| 358 | T | A | -0.0139 | |
| 359 | I | A | 0.9583 | |
| 360 | T | A | 0.0000 | |
| 361 | T | A | -0.2095 | |
| 362 | L | A | -0.0402 | |
| 363 | R | A | -1.9963 | |
| 364 | D | A | -1.1518 | |
| 365 | S | A | -0.7494 | |
| 366 | G | A | -1.4146 | |
| 367 | T | A | -1.4461 | |
| 368 | F | A | 0.0000 | |
| 369 | T | A | -0.3113 | |
| 370 | C | A | 0.0000 | |
| 371 | I | A | 0.1174 | |
| 372 | A | A | 0.0000 | |
| 373 | S | A | -0.3921 | |
| 374 | N | A | -0.9464 | |
| 375 | A | A | -0.7736 | |
| 376 | A | A | -0.9335 | |
| 377 | G | A | -1.2697 | |
| 378 | E | A | -1.4244 | |
| 379 | A | A | -0.3908 | |
| 380 | T | A | -0.1615 | |
| 381 | A | A | 0.0000 | |
| 382 | P | A | -1.0395 | |
| 383 | V | A | 0.0000 | |
| 384 | E | A | -2.3513 | |
| 385 | V | A | 0.0000 | |
| 386 | C | A | 0.2479 | |
| 387 | V | A | 0.0000 | |
| 388 | V | A | 1.7620 | |
| 389 | P | A | 1.3196 | |
| 390 | L | A | 1.9759 | |
| 391 | P | A | 1.6169 | |
| 392 | L | A | 2.2959 | |
| 393 | M | A | 1.8521 | |
| 394 | A | A | 0.7606 | |
| 395 | P | A | 0.0607 | |
| 396 | P | A | -0.3086 | |
| 397 | P | A | -0.4210 | |
| 398 | A | A | -0.2279 | |
| 399 | A | A | -0.2372 | |
| 400 | P | A | -0.2602 | |
| 401 | P | A | -0.1543 | |
| 402 | P | A | 0.1069 | |
| 403 | L | A | 0.9192 | |
| 404 | T | A | -0.3779 | |
| 405 | E | A | -1.7641 | |
| 406 | P | A | -1.4213 | |
| 407 | G | A | -1.0971 | |
| 408 | S | A | -1.0448 | |
| 409 | S | A | -0.8684 | |
| 410 | D | A | -0.8985 | |
| 411 | I | A | 1.0637 | |
| 412 | A | A | 0.4968 | |
| 413 | T | A | -0.0401 | |
| 414 | P | A | -0.9664 | |
| 415 | G | A | -1.5391 | |
| 416 | R | A | -2.3639 | |
| 417 | P | A | -1.5631 | |
| 418 | G | A | -1.3928 | |
| 419 | A | A | -1.3722 | |
| 420 | N | A | -2.2681 | |
| 421 | D | A | -2.7469 | |
| 422 | S | A | -2.1304 | |
| 423 | A | A | -1.9040 | |
| 424 | T | A | -2.1798 | |
| 425 | E | A | -3.4054 | |
| 426 | R | A | -3.5791 | |
| 427 | R | A | -3.0914 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | -0.5338 | |
| 430 | A | A | -0.2058 | |
| 431 | A | A | -0.4111 | |
| 432 | E | A | -1.2109 | |
| 433 | L | A | 0.0720 | |
| 434 | T | A | -0.6059 | |
| 435 | S | A | -1.2105 | |
| 436 | S | A | -1.4589 | |
| 437 | S | A | -0.9052 | |
| 438 | V | A | 0.0000 | |
| 439 | L | A | 0.0684 | |
| 440 | I | A | 0.0000 | |
| 441 | R | A | -1.1600 | |
| 442 | W | A | 0.0000 | |
| 443 | P | A | -1.8952 | |
| 444 | A | A | -1.2945 | |
| 445 | Q | A | -1.5353 | |
| 446 | R | A | -2.0326 | |
| 447 | P | A | -1.0960 | |
| 448 | V | A | -0.3771 | |
| 449 | P | A | -0.8946 | |
| 450 | G | A | -1.2455 | |
| 451 | I | A | -1.0649 | |
| 452 | R | A | -2.0012 | |
| 453 | M | A | -0.5949 | |
| 454 | Y | A | 0.0000 | |
| 455 | Q | A | 0.2456 | |
| 456 | V | A | 0.0000 | |
| 457 | Q | A | 0.2975 | |
| 458 | Y | A | 0.0000 | |
| 459 | N | A | -1.2968 | |
| 460 | S | A | -1.6432 | |
| 461 | S | A | -1.5705 | |
| 462 | A | A | -1.6387 | |
| 463 | D | A | -2.8585 | |
| 464 | D | A | -2.7061 | |
| 465 | S | A | -1.2266 | |
| 466 | L | A | 0.0226 | |
| 467 | V | A | 0.6557 | |
| 468 | Y | A | 1.1453 | |
| 469 | R | A | -0.1810 | |
| 470 | M | A | 0.4595 | |
| 471 | I | A | 0.0000 | |
| 472 | P | A | -0.5536 | |
| 473 | S | A | -0.7922 | |
| 474 | T | A | -0.6451 | |
| 475 | S | A | -0.8085 | |
| 476 | Q | A | -1.5987 | |
| 477 | T | A | -0.5595 | |
| 478 | F | A | 0.1122 | |
| 479 | L | A | 0.7974 | |
| 480 | V | A | 0.0000 | |
| 481 | N | A | -1.8311 | |
| 482 | D | A | -2.4557 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | -1.2962 | |
| 485 | A | A | -1.5334 | |
| 486 | G | A | -1.6307 | |
| 487 | R | A | -1.7537 | |
| 488 | A | A | -1.1771 | |
| 489 | Y | A | 0.0000 | |
| 490 | D | A | -1.2044 | |
| 491 | L | A | 0.0000 | |
| 492 | C | A | 0.4263 | |
| 493 | V | A | 0.0000 | |
| 494 | L | A | 0.8942 | |
| 495 | A | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | Y | A | -0.9483 | |
| 498 | D | A | -1.3306 | |
| 499 | D | A | -0.7269 | |
| 500 | G | A | -0.7707 | |
| 501 | A | A | -0.2172 | |
| 502 | T | A | 0.0581 | |
| 503 | A | A | 0.1610 | |
| 504 | L | A | 0.9733 | |
| 505 | P | A | -0.2313 | |
| 506 | A | A | -0.2104 | |
| 507 | T | A | 0.0596 | |
| 508 | R | A | 0.2258 | |
| 509 | V | A | 1.6484 | |
| 510 | V | A | 0.4682 | |
| 511 | G | A | 0.1394 | |
| 512 | C | A | 0.1958 | |
| 513 | V | A | 0.0000 | |
| 514 | Q | A | -1.2602 | |
| 515 | F | A | 0.0000 | |
| 516 | T | A | -0.8071 | |
| 517 | T | A | 0.0000 | |
| 518 | A | A | -0.9313 | |
| 519 | G | A | -1.8094 | |
| 520 | D | A | -2.1944 | |
| 521 | P | A | -1.1913 | |
| 522 | A | A | -0.9755 | |
| 523 | P | A | -0.7814 | |
| 524 | C | A | -0.3812 | |
| 525 | R | A | -1.5541 | |
| 526 | P | A | -0.7540 | |
| 527 | L | A | 0.2156 | |
| 528 | R | A | -1.0548 | |
| 529 | A | A | -0.0278 | |
| 530 | H | A | 0.1129 | |
| 531 | F | A | 1.8618 | |
| 532 | L | A | 2.1872 | |
| 533 | G | A | 1.6679 | |
| 534 | G | A | 2.0082 | |
| 535 | T | A | 2.4976 | |
| 536 | M | A | 3.1793 | |
| 537 | I | A | 4.0254 | |
| 538 | I | A | 3.9149 | |
| 539 | A | A | 3.4054 | |
| 540 | I | A | 4.4357 | |
| 541 | G | A | 3.6094 | |
| 542 | G | A | 3.1623 | |
| 543 | V | A | 4.4581 | |
| 544 | I | A | 4.6853 | |
| 545 | V | A | 4.5667 | |
| 546 | A | A | 3.8083 | |
| 547 | S | A | 3.8847 | |
| 548 | V | A | 5.0338 | |
| 549 | L | A | 5.1484 | |
| 550 | V | A | 5.1324 | |
| 551 | F | A | 5.4635 | |
| 552 | I | A | 4.5308 | |
| 553 | V | A | 4.6199 | |
| 554 | L | A | 4.2980 | |
| 555 | L | A | 3.2394 | |
| 556 | M | A | 3.1314 | |
| 557 | I | A | 2.6609 | |
| 558 | R | A | 1.1883 | |
| 559 | Y | A | 1.5328 | |
| 560 | K | A | -0.0684 | |
| 561 | V | A | 1.2279 | |
| 562 | Y | A | 0.8644 | |
| 563 | G | A | -0.9973 | |
| 564 | D | A | -2.3725 | |
| 565 | G | A | -2.2481 | |
| 566 | D | A | -3.3442 | |
| 567 | S | A | -2.7111 | |
| 568 | R | A | -3.4308 | |
| 569 | R | A | -2.5646 | |
| 570 | I | A | -0.2579 | |
| 571 | K | A | -1.6178 | |
| 572 | G | A | -1.0287 | |
| 573 | T | A | -0.9104 | |
| 574 | S | A | -1.3021 | |
| 575 | R | A | -2.1297 | |
| 576 | S | A | -1.3950 | |
| 577 | P | A | -1.2784 | |
| 578 | P | A | -1.0187 | |
| 579 | R | A | -1.3077 | |
| 580 | V | A | 0.4773 | |
| 581 | S | A | 0.1435 | |
| 582 | H | A | 0.1628 | |
| 583 | V | A | 1.4410 | |
| 584 | C | A | 0.9984 | |
| 585 | S | A | -0.2070 | |
| 586 | Q | A | -1.3378 | |
| 587 | T | A | -1.4400 | |
| 588 | N | A | -1.9127 | |
| 589 | G | A | -1.3761 | |
| 590 | S | A | -0.7997 | |
| 591 | S | A | -0.6291 | |
| 592 | A | A | -0.9964 | |
| 593 | Q | A | -1.8892 | |
| 594 | Q | A | -1.8889 | |
| 595 | A | A | -0.8901 | |
| 596 | S | A | -0.4538 | |
| 597 | A | A | -0.2090 | |
| 598 | P | A | -0.3928 | |
| 599 | P | A | -0.4008 | |
| 600 | A | A | -0.5907 | |
| 601 | P | A | -1.4762 | |
| 602 | D | A | -2.6291 | |
| 603 | R | A | -2.5836 | |
| 604 | Y | A | -0.8356 | |
| 605 | E | A | -1.1793 | |
| 606 | A | A | -0.2478 | |
| 607 | L | A | -0.1589 | |
| 608 | R | A | -1.4954 | |
| 609 | E | A | -1.5076 | |
| 610 | V | A | 0.8762 | |
| 611 | A | A | 1.2930 | |
| 612 | V | A | 2.0337 | |
| 613 | P | A | 0.7142 | |
| 614 | A | A | 0.7387 | |
| 615 | A | A | 0.5954 | |
| 616 | I | A | 1.1218 | |
| 617 | E | A | -1.0815 | |
| 618 | A | A | -1.2945 | |
| 619 | K | A | -1.7920 | |
| 620 | A | A | -0.7473 | |
| 621 | M | A | -0.1412 | |
| 622 | E | A | -1.6780 | |
| 623 | A | A | -1.6090 | |
| 624 | E | A | -2.1919 | |
| 625 | A | A | -1.2573 | |
| 626 | T | A | -0.7628 | |
| 627 | S | A | -0.6731 | |
| 628 | T | A | -1.0036 | |
| 629 | E | A | -1.5378 | |
| 630 | L | A | 0.0247 | |
| 631 | E | A | -0.2522 | |
| 632 | V | A | 2.5016 | |
| 633 | V | A | 3.0320 | |
| 634 | L | A | 2.2836 | |
| 635 | G | A | -0.2338 | |
| 636 | R | A | -1.5429 | |
| 637 | S | A | -0.6915 | |
| 638 | L | A | 0.6262 | |
| 639 | G | A | -0.1252 | |
| 640 | G | A | -0.4617 | |
| 641 | S | A | -0.5596 | |
| 642 | A | A | -0.2584 | |
| 643 | T | A | 0.0758 | |
| 644 | S | A | 0.6658 | |
| 645 | L | A | 2.1820 | |
| 646 | C | A | 2.6540 | |
| 647 | L | A | 2.9976 | |
| 648 | L | A | 2.3206 | |
| 649 | P | A | 0.3248 | |
| 650 | S | A | -1.3172 | |
| 651 | E | A | -2.9051 | |
| 652 | E | A | -2.9220 | |
| 653 | T | A | -1.6307 | |
| 654 | S | A | -1.5573 | |
| 655 | G | A | -2.0791 | |
| 656 | E | A | -3.0625 | |
| 657 | E | A | -3.3108 | |
| 658 | S | A | -2.3692 | |
| 659 | R | A | -1.8706 | |
| 660 | A | A | -0.1602 | |
| 661 | V | A | 1.2604 | |
| 662 | T | A | 0.5661 | |
| 663 | G | A | -0.6045 | |
| 664 | P | A | -1.7731 | |
| 665 | R | A | -2.9990 | |
| 666 | R | A | -3.3458 | |
| 667 | S | A | -2.6040 | |
| 668 | R | A | -2.6055 | |
| 669 | S | A | -1.3776 | |
| 670 | G | A | -0.5596 | |
| 671 | A | A | 0.4210 | |
| 672 | L | A | 1.1838 | |
| 673 | G | A | 0.1224 | |
| 674 | P | A | -0.2893 | |
| 675 | P | A | -0.5546 | |
| 676 | T | A | -0.3495 | |
| 677 | S | A | -0.3244 | |
| 678 | A | A | -0.2547 | |
| 679 | P | A | -0.4172 | |
| 680 | P | A | -0.1135 | |
| 681 | T | A | 0.4811 | |
| 682 | L | A | 1.8250 | |
| 683 | A | A | 2.0059 | |
| 684 | L | A | 2.3341 | |
| 685 | V | A | 1.5737 | |
| 686 | R | A | -0.9454 | |
| 687 | G | A | -1.3091 | |
| 688 | G | A | -1.2998 | |
| 689 | S | A | -0.6533 | |
| 690 | P | A | -0.8585 | |
| 691 | A | A | -1.2593 | |
| 692 | R | A | -2.4034 | |
| 693 | P | A | -2.2467 | |
| 694 | R | A | -2.9126 | |
| 695 | P | A | -2.3227 | |
| 696 | Q | A | -2.6490 | |
| 697 | Q | A | -2.6644 | |
| 698 | R | A | -1.9264 | |
| 699 | Y | A | 0.1502 | |
| 700 | S | A | 0.1031 | |
| 701 | F | A | 0.7146 | |
| 702 | D | A | -1.3073 | |
| 703 | G | A | -1.3435 | |
| 704 | D | A | -1.7388 | |
| 705 | Y | A | 0.3743 | |
| 706 | G | A | 0.0490 | |
| 707 | A | A | 0.9203 | |
| 708 | L | A | 2.3048 | |
| 709 | F | A | 1.9831 | |
| 710 | Q | A | -0.2338 | |
| 711 | S | A | -0.3717 | |
| 712 | H | A | -0.9266 | |
| 713 | S | A | -0.5990 | |
| 714 | Y | A | 0.1162 | |
| 715 | P | A | -1.1677 | |
| 716 | R | A | -2.7476 | |
| 717 | R | A | -3.2509 | |
| 718 | A | A | -2.7723 | |
| 719 | R | A | -3.6124 | |
| 720 | R | A | -3.5604 | |
| 721 | T | A | -2.8359 | |
| 722 | K | A | -3.5001 | |
| 723 | R | A | -3.8584 | |
| 724 | H | A | -3.3130 | |
| 725 | R | A | -2.9423 | |
| 726 | S | A | -1.5871 | |
| 727 | T | A | -0.8971 | |
| 728 | P | A | -0.5173 | |
| 729 | H | A | -0.7101 | |
| 730 | L | A | 0.0173 | |
| 731 | D | A | -1.4316 | |
| 732 | G | A | -1.1342 | |
| 733 | A | A | -0.8958 | |
| 734 | G | A | -0.8948 | |
| 735 | G | A | -0.9278 | |
| 736 | G | A | -0.7414 | |
| 737 | A | A | -0.3530 | |
| 738 | A | A | -0.6326 | |
| 739 | G | A | -1.8562 | |
| 740 | E | A | -3.0309 | |
| 741 | D | A | -3.4068 | |
| 742 | G | A | -2.2569 | |
| 743 | D | A | -1.7765 | |
| 744 | L | A | 0.6706 | |
| 745 | G | A | 0.6353 | |
| 746 | L | A | 1.3446 | |
| 747 | G | A | -0.0353 | |
| 748 | S | A | -0.5631 | |
| 749 | A | A | -1.1094 | |
| 750 | R | A | -2.1952 | |
| 751 | A | A | -1.3204 | |
| 752 | R | A | -1.2586 | |
| 753 | L | A | 1.0146 | |
| 754 | A | A | 1.1562 | |
| 755 | F | A | 1.7672 | |
| 756 | T | A | 0.7581 | |
| 757 | S | A | 0.0990 | |
| 758 | T | A | 0.0567 | |
| 759 | E | A | -0.5653 | |
| 760 | W | A | 0.7849 | |
| 761 | M | A | 1.2137 | |
| 762 | L | A | 1.1836 | |
| 763 | E | A | -0.5705 | |
| 764 | S | A | 0.1178 | |
| 765 | T | A | 0.6556 | |
| 766 | V | A | 1.5042 |
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 | -0.1021 | 8.0472 | View | CSV | PDB |
| 4.5 | -0.1597 | 8.0472 | View | CSV | PDB |
| 5.0 | -0.2318 | 8.0472 | View | CSV | PDB |
| 5.5 | -0.307 | 8.0472 | View | CSV | PDB |
| 6.0 | -0.3748 | 8.0472 | View | CSV | PDB |
| 6.5 | -0.429 | 8.0472 | View | CSV | PDB |
| 7.0 | -0.4682 | 8.0472 | View | CSV | PDB |
| 7.5 | -0.496 | 8.0472 | View | CSV | PDB |
| 8.0 | -0.5164 | 8.0472 | View | CSV | PDB |
| 8.5 | -0.5304 | 8.0472 | View | CSV | PDB |
| 9.0 | -0.5365 | 8.0472 | 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