| Chain sequence(s) |
A: RGNHLVNGKPSFTVDQAADQLTRSGASWYDLNGDGVINLSYTFLTSPPPGYASRGLGTFSSFSGLQKEQAKLSLESWADVAKVTFTEGPAARGDDGHMTFANFSASNGGAAFAYLPNSSRKGESWYLINKDYDVNKTPGEGNYGRQTLTHEIGHTLGLSHPGDYNAGNGNPSYRDAVYGEDTRAYSVMSYWSEKNTGQVFTKTGEGAYASAPLLDDIAAVQKLYGANMGGGGSGGGGSGGGGSGGGGSITGTSTVGVGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADNQFFASYDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDGDGQTFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTHYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQAFDAVGVK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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 globular. Max 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 (00:04:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4c3d8471bf17cd5/tmp/folded.pdb (00:04:05)
[INFO] Main: Simulation completed successfully. (00:06:50)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | R | A | -2.4422 | |
| 2 | G | A | -1.7470 | |
| 3 | N | A | -2.0382 | |
| 4 | H | A | -1.4313 | |
| 5 | L | A | 0.2242 | |
| 6 | V | A | -0.1065 | |
| 7 | N | A | -1.0034 | |
| 8 | G | A | -1.0817 | |
| 9 | K | A | 0.0000 | |
| 10 | P | A | -0.7545 | |
| 11 | S | A | 0.0000 | |
| 12 | F | A | -0.7532 | |
| 13 | T | A | -0.8271 | |
| 14 | V | A | -0.4608 | |
| 15 | D | A | -0.4741 | |
| 16 | Q | A | -0.6459 | |
| 17 | A | A | 0.0000 | |
| 18 | A | A | 0.0000 | |
| 19 | D | A | 0.0000 | |
| 20 | Q | A | -1.2206 | |
| 21 | L | A | 0.0000 | |
| 22 | T | A | -1.1553 | |
| 23 | R | A | -1.5385 | |
| 24 | S | A | -1.2265 | |
| 25 | G | A | -0.8800 | |
| 26 | A | A | 0.0000 | |
| 27 | S | A | -1.0697 | |
| 28 | W | A | 0.0000 | |
| 29 | Y | A | -1.1739 | |
| 30 | D | A | -2.5248 | |
| 31 | L | A | 0.0000 | |
| 32 | N | A | -2.2181 | |
| 33 | G | A | -2.4741 | |
| 34 | D | A | -2.6453 | |
| 35 | G | A | -1.5156 | |
| 36 | V | A | -0.4930 | |
| 37 | I | A | -0.5332 | |
| 38 | N | A | -1.0366 | |
| 39 | L | A | -0.6044 | |
| 40 | S | A | -0.9632 | |
| 41 | Y | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | F | A | 0.0000 | |
| 44 | L | A | 0.1812 | |
| 45 | T | A | 0.0161 | |
| 46 | S | A | -0.1562 | |
| 47 | P | A | 0.0773 | |
| 48 | P | A | -0.1115 | |
| 49 | P | A | -0.4778 | |
| 50 | G | A | -0.5310 | |
| 51 | Y | A | 0.3314 | |
| 52 | A | A | -0.2136 | |
| 53 | S | A | -0.8548 | |
| 54 | R | A | -1.5196 | |
| 55 | G | A | -0.6707 | |
| 56 | L | A | 0.4754 | |
| 57 | G | A | 0.0000 | |
| 58 | T | A | 0.3306 | |
| 59 | F | A | 0.4749 | |
| 60 | S | A | 0.0000 | |
| 61 | S | A | 0.0359 | |
| 62 | F | A | -0.2195 | |
| 63 | S | A | -0.6448 | |
| 64 | G | A | -0.7759 | |
| 65 | L | A | -1.0218 | |
| 66 | Q | A | -1.2310 | |
| 67 | K | A | -1.0606 | |
| 68 | E | A | -1.2928 | |
| 69 | Q | A | -1.2125 | |
| 70 | A | A | 0.0000 | |
| 71 | K | A | -1.5044 | |
| 72 | L | A | -0.9123 | |
| 73 | S | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | E | A | -2.1336 | |
| 76 | S | A | -1.7610 | |
| 77 | W | A | 0.0000 | |
| 78 | A | A | -1.5648 | |
| 79 | D | A | -2.5969 | |
| 80 | V | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | K | A | -1.5314 | |
| 83 | V | A | 0.0000 | |
| 84 | T | A | -0.6601 | |
| 85 | F | A | -0.8362 | |
| 86 | T | A | -1.0423 | |
| 87 | E | A | -1.9570 | |
| 88 | G | A | -1.2117 | |
| 89 | P | A | -0.8201 | |
| 90 | A | A | -0.4501 | |
| 91 | A | A | -0.5473 | |
| 92 | R | A | -1.3158 | |
| 93 | G | A | -2.1359 | |
| 94 | D | A | -3.1550 | |
| 95 | D | A | -3.5076 | |
| 96 | G | A | 0.0000 | |
| 97 | H | A | -1.5631 | |
| 98 | M | A | 0.0000 | |
| 99 | T | A | -0.3897 | |
| 100 | F | A | 0.0000 | |
| 101 | A | A | 0.0000 | |
| 102 | N | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | S | A | -1.2655 | |
| 105 | A | A | -0.6473 | |
| 106 | S | A | -1.3516 | |
| 107 | N | A | -2.2380 | |
| 108 | G | A | -1.3936 | |
| 109 | G | A | -0.8680 | |
| 110 | A | A | 0.1125 | |
| 111 | A | A | 1.2235 | |
| 112 | F | A | 2.5358 | |
| 113 | A | A | 0.0000 | |
| 114 | Y | A | 1.9815 | |
| 115 | L | A | 0.8224 | |
| 116 | P | A | -0.7356 | |
| 117 | N | A | -1.3613 | |
| 118 | S | A | -1.7314 | |
| 119 | S | A | -1.8198 | |
| 120 | R | A | -3.1424 | |
| 121 | K | A | -2.8719 | |
| 122 | G | A | -1.6902 | |
| 123 | E | A | -1.5523 | |
| 124 | S | A | 0.0000 | |
| 125 | W | A | 0.9142 | |
| 126 | Y | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | N | A | 0.0000 | |
| 130 | K | A | -2.5065 | |
| 131 | D | A | -3.3443 | |
| 132 | Y | A | -2.5618 | |
| 133 | D | A | -3.1154 | |
| 134 | V | A | -1.9441 | |
| 135 | N | A | -2.2997 | |
| 136 | K | A | -2.9014 | |
| 137 | T | A | -1.8967 | |
| 138 | P | A | -1.7348 | |
| 139 | G | A | -1.9262 | |
| 140 | E | A | -2.4082 | |
| 141 | G | A | -1.6862 | |
| 142 | N | A | -1.9266 | |
| 143 | Y | A | -1.1338 | |
| 144 | G | A | 0.0000 | |
| 145 | R | A | 0.0000 | |
| 146 | Q | A | 0.0000 | |
| 147 | T | A | -0.1216 | |
| 148 | L | A | 0.0000 | |
| 149 | T | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | E | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | H | A | 0.6700 | |
| 155 | T | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | G | A | -0.1071 | |
| 158 | L | A | 0.0000 | |
| 159 | S | A | 0.0325 | |
| 160 | H | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | G | A | 0.0858 | |
| 163 | D | A | 0.0000 | |
| 164 | Y | A | 0.3323 | |
| 165 | N | A | 0.0000 | |
| 166 | A | A | -1.2534 | |
| 167 | G | A | -1.1376 | |
| 168 | N | A | -1.9790 | |
| 169 | G | A | -1.8304 | |
| 170 | N | A | -1.9116 | |
| 171 | P | A | -0.8563 | |
| 172 | S | A | -0.5611 | |
| 173 | Y | A | 0.8059 | |
| 174 | R | A | 0.0629 | |
| 175 | D | A | -0.0212 | |
| 176 | A | A | 0.4880 | |
| 177 | V | A | 1.5054 | |
| 178 | Y | A | 0.9175 | |
| 179 | G | A | 0.0000 | |
| 180 | E | A | -0.2609 | |
| 181 | D | A | -1.1086 | |
| 182 | T | A | 0.0000 | |
| 183 | R | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | M | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | Y | A | 0.0000 | |
| 191 | W | A | 0.0000 | |
| 192 | S | A | -0.5111 | |
| 193 | E | A | 0.0000 | |
| 194 | K | A | -1.5041 | |
| 195 | N | A | -1.7692 | |
| 196 | T | A | -1.3063 | |
| 197 | G | A | -1.2593 | |
| 198 | Q | A | -1.2034 | |
| 199 | V | A | -0.0396 | |
| 200 | F | A | -0.2318 | |
| 201 | T | A | -0.6481 | |
| 202 | K | A | -1.7337 | |
| 203 | T | A | -1.9404 | |
| 204 | G | A | -1.9342 | |
| 205 | E | A | -2.2251 | |
| 206 | G | A | -1.3773 | |
| 207 | A | A | -0.3458 | |
| 208 | Y | A | 0.6390 | |
| 209 | A | A | 0.6533 | |
| 210 | S | A | 0.3669 | |
| 211 | A | A | 0.5103 | |
| 212 | P | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | L | A | 1.1557 | |
| 215 | D | A | 0.6429 | |
| 216 | D | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | A | A | -0.3916 | |
| 219 | A | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | Q | A | -1.8029 | |
| 222 | K | A | -2.2882 | |
| 223 | L | A | 0.0000 | |
| 224 | Y | A | 0.0000 | |
| 225 | G | A | -1.7950 | |
| 226 | A | A | -1.9367 | |
| 227 | N | A | -2.2718 | |
| 228 | M | A | -1.9431 | |
| 229 | G | A | -1.5369 | |
| 230 | G | A | -1.3012 | |
| 231 | G | A | -1.3478 | |
| 232 | G | A | -1.3662 | |
| 233 | S | A | -1.6502 | |
| 234 | G | A | -1.4030 | |
| 235 | G | A | -1.3575 | |
| 236 | G | A | -1.3475 | |
| 237 | G | A | -1.3187 | |
| 238 | S | A | -1.3947 | |
| 239 | G | A | -1.3145 | |
| 240 | G | A | -1.5749 | |
| 241 | G | A | -1.6136 | |
| 242 | G | A | -1.4841 | |
| 243 | S | A | -1.1959 | |
| 244 | G | A | -1.1598 | |
| 245 | G | A | -0.9285 | |
| 246 | G | A | -0.5744 | |
| 247 | G | A | -0.4782 | |
| 248 | S | A | -0.1174 | |
| 249 | I | A | 0.0342 | |
| 250 | T | A | -0.2516 | |
| 251 | G | A | -0.3384 | |
| 252 | T | A | -0.2555 | |
| 253 | S | A | 0.0259 | |
| 254 | T | A | 0.6919 | |
| 255 | V | A | 1.3639 | |
| 256 | G | A | 0.0000 | |
| 257 | V | A | -0.8847 | |
| 258 | G | A | 0.0000 | |
| 259 | R | A | -2.3001 | |
| 260 | G | A | 0.0000 | |
| 261 | V | A | 0.0701 | |
| 262 | L | A | 0.1380 | |
| 263 | G | A | -1.3482 | |
| 264 | D | A | -2.6661 | |
| 265 | Q | A | -2.7707 | |
| 266 | K | A | -2.2017 | |
| 267 | N | A | -1.3817 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | 0.1279 | |
| 270 | T | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | Y | A | 0.4715 | |
| 273 | S | A | 0.2077 | |
| 274 | T | A | 0.2421 | |
| 275 | Y | A | 0.2632 | |
| 276 | Y | A | 0.0794 | |
| 277 | Y | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | Q | A | 0.0000 | |
| 280 | D | A | 0.0000 | |
| 281 | N | A | -1.3158 | |
| 282 | T | A | -1.0265 | |
| 283 | R | A | -1.4784 | |
| 284 | G | A | -1.6676 | |
| 285 | N | A | -2.2602 | |
| 286 | G | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | T | A | 0.0000 | |
| 290 | Y | A | 0.0000 | |
| 291 | D | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | K | A | -0.4129 | |
| 294 | Y | A | 0.1520 | |
| 295 | R | A | -0.4951 | |
| 296 | T | A | -0.3203 | |
| 297 | T | A | -0.2652 | |
| 298 | L | A | -0.2281 | |
| 299 | P | A | -0.4215 | |
| 300 | G | A | -0.2924 | |
| 301 | S | A | -0.4132 | |
| 302 | L | A | -0.0460 | |
| 303 | W | A | 0.0000 | |
| 304 | A | A | -0.3474 | |
| 305 | D | A | -1.1138 | |
| 306 | A | A | -0.9371 | |
| 307 | D | A | -2.0738 | |
| 308 | N | A | -0.9657 | |
| 309 | Q | A | -1.5700 | |
| 310 | F | A | 0.0000 | |
| 311 | F | A | -0.2049 | |
| 312 | A | A | 0.1575 | |
| 313 | S | A | 0.1436 | |
| 314 | Y | A | 0.7173 | |
| 315 | D | A | -0.0132 | |
| 316 | A | A | -0.2471 | |
| 317 | P | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | V | A | 0.0000 | |
| 320 | D | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | H | A | 0.0000 | |
| 323 | Y | A | 0.1001 | |
| 324 | Y | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | G | A | -0.0355 | |
| 327 | V | A | 0.2154 | |
| 328 | T | A | 0.0000 | |
| 329 | Y | A | 0.0000 | |
| 330 | D | A | -0.8993 | |
| 331 | Y | A | 0.0000 | |
| 332 | Y | A | 0.0000 | |
| 333 | K | A | -1.7872 | |
| 334 | N | A | -1.8234 | |
| 335 | V | A | -1.3409 | |
| 336 | H | A | 0.0000 | |
| 337 | N | A | -1.7789 | |
| 338 | R | A | 0.0000 | |
| 339 | L | A | -1.1053 | |
| 340 | S | A | 0.0000 | |
| 341 | Y | A | 0.0000 | |
| 342 | D | A | -0.8021 | |
| 343 | G | A | -1.1412 | |
| 344 | N | A | -2.0859 | |
| 345 | N | A | -2.0056 | |
| 346 | A | A | 0.0000 | |
| 347 | A | A | -1.4595 | |
| 348 | I | A | 0.0000 | |
| 349 | R | A | -0.6081 | |
| 350 | S | A | 0.0000 | |
| 351 | S | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | H | A | 0.0000 | |
| 354 | Y | A | -0.1489 | |
| 355 | S | A | -0.6637 | |
| 356 | Q | A | -1.4946 | |
| 357 | G | A | -1.3860 | |
| 358 | Y | A | -0.5225 | |
| 359 | N | A | -0.8553 | |
| 360 | N | A | -0.7124 | |
| 361 | A | A | -0.2630 | |
| 362 | F | A | -0.0230 | |
| 363 | W | A | 0.0000 | |
| 364 | N | A | -1.2187 | |
| 365 | G | A | -0.9098 | |
| 366 | S | A | -0.7028 | |
| 367 | Q | A | 0.0000 | |
| 368 | M | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | Y | A | 0.0000 | |
| 371 | G | A | 0.0000 | |
| 372 | D | A | -0.9134 | |
| 373 | G | A | 0.0000 | |
| 374 | D | A | -2.0269 | |
| 375 | G | A | -1.7501 | |
| 376 | Q | A | -1.8419 | |
| 377 | T | A | -0.8606 | |
| 378 | F | A | 0.0000 | |
| 379 | I | A | -0.2374 | |
| 380 | P | A | -0.4154 | |
| 381 | L | A | 0.0000 | |
| 382 | S | A | 0.0000 | |
| 383 | G | A | 0.0000 | |
| 384 | G | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | D | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | H | A | 0.0000 | |
| 391 | E | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | T | A | 0.0000 | |
| 394 | H | A | -0.0559 | |
| 395 | A | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | T | A | 0.0000 | |
| 398 | D | A | -0.1943 | |
| 399 | Y | A | -0.3688 | |
| 400 | T | A | -0.4763 | |
| 401 | A | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | Y | A | 0.2387 | |
| 406 | Q | A | -1.2548 | |
| 407 | N | A | -2.1454 | |
| 408 | E | A | -1.3813 | |
| 409 | S | A | 0.0000 | |
| 410 | G | A | 0.0000 | |
| 411 | A | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | N | A | 0.0000 | |
| 414 | E | A | -0.1428 | |
| 415 | A | A | 0.0000 | |
| 416 | I | A | 0.0000 | |
| 417 | S | A | 0.0000 | |
| 418 | D | A | 0.0000 | |
| 419 | I | A | 0.0000 | |
| 420 | F | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | T | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | E | A | 0.0000 | |
| 426 | F | A | -0.4509 | |
| 427 | Y | A | -0.0951 | |
| 428 | A | A | -0.4328 | |
| 429 | N | A | -1.5178 | |
| 430 | K | A | -1.8526 | |
| 431 | N | A | -2.1582 | |
| 432 | P | A | -1.7651 | |
| 433 | D | A | -2.2223 | |
| 434 | W | A | 0.0000 | |
| 435 | E | A | -1.6506 | |
| 436 | I | A | 0.0000 | |
| 437 | G | A | 0.0000 | |
| 438 | E | A | -2.4758 | |
| 439 | D | A | -1.1950 | |
| 440 | V | A | 0.0000 | |
| 441 | Y | A | -0.4459 | |
| 442 | T | A | -0.4303 | |
| 443 | P | A | -0.5486 | |
| 444 | G | A | 0.0313 | |
| 445 | I | A | 1.2347 | |
| 446 | S | A | -0.0934 | |
| 447 | G | A | -1.0108 | |
| 448 | D | A | -1.1743 | |
| 449 | S | A | 0.0000 | |
| 450 | L | A | -0.3914 | |
| 451 | R | A | -0.9756 | |
| 452 | S | A | 0.0000 | |
| 453 | M | A | 0.0000 | |
| 454 | S | A | -1.4559 | |
| 455 | D | A | -2.4107 | |
| 456 | P | A | 0.0000 | |
| 457 | A | A | -1.5834 | |
| 458 | K | A | -2.4276 | |
| 459 | Y | A | -1.0577 | |
| 460 | G | A | -1.0675 | |
| 461 | D | A | -1.2559 | |
| 462 | P | A | 0.0000 | |
| 463 | D | A | -1.3793 | |
| 464 | H | A | -1.0912 | |
| 465 | Y | A | -1.1705 | |
| 466 | S | A | -1.2302 | |
| 467 | K | A | -2.1868 | |
| 468 | R | A | -1.5110 | |
| 469 | Y | A | -1.1004 | |
| 470 | T | A | -1.0408 | |
| 471 | G | A | -1.2133 | |
| 472 | T | A | -1.5847 | |
| 473 | Q | A | -2.3174 | |
| 474 | D | A | -2.5302 | |
| 475 | N | A | -2.4862 | |
| 476 | G | A | 0.0000 | |
| 477 | G | A | 0.0000 | |
| 478 | V | A | 0.0000 | |
| 479 | H | A | -0.8932 | |
| 480 | I | A | -0.3195 | |
| 481 | N | A | 0.0000 | |
| 482 | S | A | 0.0000 | |
| 483 | G | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | I | A | 0.0000 | |
| 486 | N | A | 0.0000 | |
| 487 | K | A | 0.0000 | |
| 488 | A | A | 0.0000 | |
| 489 | A | A | 0.0000 | |
| 490 | Y | A | -0.3452 | |
| 491 | L | A | 0.0000 | |
| 492 | I | A | 0.0000 | |
| 493 | S | A | 0.0000 | |
| 494 | Q | A | -0.8070 | |
| 495 | G | A | -0.3559 | |
| 496 | G | A | -0.3246 | |
| 497 | T | A | 0.0174 | |
| 498 | H | A | 0.1062 | |
| 499 | Y | A | 0.8774 | |
| 500 | G | A | 0.2542 | |
| 501 | V | A | 0.1802 | |
| 502 | S | A | -0.0499 | |
| 503 | V | A | 0.0000 | |
| 504 | V | A | 0.5427 | |
| 505 | G | A | -0.2402 | |
| 506 | I | A | -0.5609 | |
| 507 | G | A | -1.0492 | |
| 508 | R | A | -1.4058 | |
| 509 | D | A | -2.2301 | |
| 510 | K | A | -1.8008 | |
| 511 | L | A | 0.0000 | |
| 512 | G | A | 0.0000 | |
| 513 | K | A | -1.5373 | |
| 514 | I | A | 0.0000 | |
| 515 | F | A | 0.0000 | |
| 516 | Y | A | -0.5627 | |
| 517 | R | A | -1.1139 | |
| 518 | A | A | 0.0000 | |
| 519 | L | A | 0.0000 | |
| 520 | T | A | -0.4937 | |
| 521 | Q | A | -1.0130 | |
| 522 | Y | A | -0.4781 | |
| 523 | L | A | 0.0000 | |
| 524 | T | A | -0.3245 | |
| 525 | P | A | -0.2205 | |
| 526 | T | A | -0.5123 | |
| 527 | S | A | 0.0000 | |
| 528 | N | A | -1.3871 | |
| 529 | F | A | 0.0000 | |
| 530 | S | A | -1.2228 | |
| 531 | Q | A | -1.0818 | |
| 532 | L | A | 0.0000 | |
| 533 | R | A | -1.5646 | |
| 534 | A | A | -0.9933 | |
| 535 | A | A | 0.0000 | |
| 536 | A | A | 0.0000 | |
| 537 | V | A | 0.0000 | |
| 538 | Q | A | -1.5518 | |
| 539 | S | A | 0.0000 | |
| 540 | A | A | 0.0000 | |
| 541 | T | A | -1.2647 | |
| 542 | D | A | -1.8663 | |
| 543 | L | A | -0.7324 | |
| 544 | Y | A | -0.4166 | |
| 545 | G | A | -0.8001 | |
| 546 | S | A | -0.8262 | |
| 547 | T | A | -0.3898 | |
| 548 | S | A | -0.4547 | |
| 549 | Q | A | -0.7097 | |
| 550 | E | A | -0.5699 | |
| 551 | V | A | 0.0000 | |
| 552 | A | A | -0.5801 | |
| 553 | S | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | K | A | -1.9485 | |
| 556 | Q | A | -1.3474 | |
| 557 | A | A | 0.0000 | |
| 558 | F | A | 0.0000 | |
| 559 | D | A | -2.2409 | |
| 560 | A | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | G | A | -1.2630 | |
| 563 | V | A | 0.0000 | |
| 564 | K | A | -2.5866 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2944 | 5.0339 | View | CSV | PDB |
| 4.5 | -0.3356 | 5.0355 | View | CSV | PDB |
| 5.0 | -0.3843 | 5.0388 | View | CSV | PDB |
| 5.5 | -0.4336 | 5.0432 | View | CSV | PDB |
| 6.0 | -0.4768 | 5.0469 | View | CSV | PDB |
| 6.5 | -0.5092 | 5.0489 | View | CSV | PDB |
| 7.0 | -0.5309 | 5.0497 | View | CSV | PDB |
| 7.5 | -0.5456 | 5.05 | View | CSV | PDB |
| 8.0 | -0.5553 | 5.05 | View | CSV | PDB |
| 8.5 | -0.5592 | 5.0498 | View | CSV | PDB |
| 9.0 | -0.5548 | 5.0489 | 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