| Chain sequence(s) |
A: GNLTPLFEELLQQCPPGGQNKTAHMVSAYQLAQGNWMPTSCHVFMGTISARRTKTHPYEAYVKLRELVEEHKMKTLCPGSSLGKHNEWIIGKIKYQGNLRTKHMLNPGKVAEQLCREGHRHNVYNKTIGSVMTATGIRLEKLPVVRAQTDTTNFHQAIRDKIDKEENLQTPGLHKKLMEVFNALKRPELESSYDAVEWEELERGINRKGAAGFFERKNIGEILDSEKNKVEEIIDNLKKGRNIKYYETAIPKNEKRDVNDDWTAGDFVEEKKPRVIQYPEAKTRLAITKVMYKWVKQKPVVIPGYEGKTPLFQIFDKVKKEWDQFQNPVAVSFDTKAWDTQVTTKDLELIKDIQKYYFKKKWHKFIDTLTMHMSEVPVISADGEVYIRKGQRGSGQPDTSAGNSMLNVLTMIYAFCEATGVPYKSFDRVAKIHVCGDDGFLITERALGEKFASKGVQILYEAGKPQKITEGDKMKVAYQFDDIEFCSHTPIQVRWSDNTSSYMPGRNTTTILAKMATRLDSSGERGTIAYEKAVAFSFLLMYSWNPLIRRICLLVLSTELQVKPGKSTTYYYEGDPISAYKEVIGHNLFDLKRTSFEKLAKLNLSMSVLGAWTRHTSKRLLQDCVNVGVKEGNWLVNADRLVSSKTGNRYIPGEGHTLQGRHYEELV
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:54:35)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a0b854e20ac68a/tmp/folded.pdb (00:54:35)
[INFO] Main: Simulation completed successfully. (01:00:00)
|
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 |
|---|---|---|---|---|
| 12 | G | A | -1.2678 | |
| 13 | N | A | -1.3623 | |
| 14 | L | A | -0.2420 | |
| 15 | T | A | 0.0000 | |
| 16 | P | A | -0.8813 | |
| 17 | L | A | -0.2525 | |
| 18 | F | A | 0.0000 | |
| 19 | E | A | -1.4440 | |
| 20 | E | A | -2.3029 | |
| 21 | L | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | Q | A | -1.2295 | |
| 24 | Q | A | -1.7047 | |
| 25 | C | A | 0.0000 | |
| 26 | P | A | 0.0000 | |
| 27 | P | A | 0.0000 | |
| 28 | G | A | -0.6707 | |
| 29 | G | A | -1.3386 | |
| 30 | Q | A | -2.0687 | |
| 31 | N | A | -2.1569 | |
| 32 | K | A | -2.4282 | |
| 33 | T | A | -1.3585 | |
| 34 | A | A | -1.4289 | |
| 35 | H | A | -1.9435 | |
| 36 | M | A | -1.0380 | |
| 37 | V | A | 0.0000 | |
| 38 | S | A | -0.0527 | |
| 39 | A | A | 0.0000 | |
| 40 | Y | A | 0.3761 | |
| 41 | Q | A | -0.4993 | |
| 42 | L | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | Q | A | -1.6266 | |
| 45 | G | A | -1.6516 | |
| 46 | N | A | -2.4789 | |
| 47 | W | A | -2.3045 | |
| 48 | M | A | -1.7433 | |
| 49 | P | A | 0.0000 | |
| 50 | T | A | -0.7305 | |
| 51 | S | A | -0.3782 | |
| 52 | C | A | 0.0000 | |
| 53 | H | A | -1.2205 | |
| 54 | V | A | 0.0000 | |
| 55 | F | A | -0.3964 | |
| 56 | M | A | -0.2423 | |
| 57 | G | A | -0.2571 | |
| 58 | T | A | -0.3274 | |
| 59 | I | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | 0.0000 | |
| 62 | R | A | -3.1146 | |
| 63 | R | A | -3.2889 | |
| 64 | T | A | -2.4187 | |
| 65 | K | A | -2.7849 | |
| 66 | T | A | 0.0000 | |
| 67 | H | A | -1.7209 | |
| 68 | P | A | -1.1625 | |
| 69 | Y | A | 0.2849 | |
| 70 | E | A | -1.6836 | |
| 71 | A | A | 0.0000 | |
| 72 | Y | A | 0.0000 | |
| 73 | V | A | -1.1505 | |
| 74 | K | A | -1.8277 | |
| 75 | L | A | 0.0000 | |
| 76 | R | A | -3.5973 | |
| 77 | E | A | -3.8194 | |
| 78 | L | A | -2.6350 | |
| 79 | V | A | 0.0000 | |
| 80 | E | A | -3.9672 | |
| 81 | E | A | -3.5442 | |
| 82 | H | A | -2.3286 | |
| 83 | K | A | -1.8902 | |
| 84 | M | A | -0.8227 | |
| 85 | K | A | -1.7148 | |
| 86 | T | A | -0.3964 | |
| 87 | L | A | 1.3747 | |
| 88 | C | A | 0.8413 | |
| 89 | P | A | -0.2977 | |
| 90 | G | A | -0.5589 | |
| 91 | S | A | -0.6118 | |
| 92 | S | A | -0.4115 | |
| 93 | L | A | -0.6009 | |
| 94 | G | A | -1.3834 | |
| 95 | K | A | -2.3662 | |
| 96 | H | A | -2.0892 | |
| 97 | N | A | 0.0000 | |
| 98 | E | A | -2.2814 | |
| 99 | W | A | -1.2596 | |
| 100 | I | A | 0.0000 | |
| 101 | I | A | -0.2844 | |
| 102 | G | A | -0.9168 | |
| 103 | K | A | -1.1349 | |
| 104 | I | A | -0.7969 | |
| 105 | K | A | -1.7969 | |
| 106 | Y | A | -1.0513 | |
| 107 | Q | A | -1.6469 | |
| 108 | G | A | -1.7918 | |
| 109 | N | A | -2.1624 | |
| 110 | L | A | 0.0000 | |
| 111 | R | A | -2.8145 | |
| 112 | T | A | -2.3223 | |
| 113 | K | A | -2.4351 | |
| 114 | H | A | -1.7433 | |
| 115 | M | A | 0.0000 | |
| 116 | L | A | -0.3129 | |
| 117 | N | A | -1.0194 | |
| 118 | P | A | -0.3071 | |
| 119 | G | A | 0.0000 | |
| 120 | K | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | A | A | -1.1985 | |
| 123 | E | A | -1.8864 | |
| 124 | Q | A | -1.6623 | |
| 125 | L | A | -0.8968 | |
| 126 | C | A | -0.9628 | |
| 127 | R | A | -2.4856 | |
| 128 | E | A | -3.1577 | |
| 129 | G | A | -2.6472 | |
| 130 | H | A | -2.9155 | |
| 131 | R | A | -3.3094 | |
| 132 | H | A | -2.3143 | |
| 133 | N | A | -1.2101 | |
| 134 | V | A | -0.3688 | |
| 135 | Y | A | -0.2341 | |
| 136 | N | A | 0.0000 | |
| 137 | K | A | -1.5151 | |
| 138 | T | A | -0.6474 | |
| 139 | I | A | 0.0000 | |
| 140 | G | A | 0.0000 | |
| 141 | S | A | -0.3457 | |
| 142 | V | A | -0.0595 | |
| 143 | M | A | 0.0000 | |
| 144 | T | A | -0.3411 | |
| 145 | A | A | -0.2360 | |
| 146 | T | A | 0.0000 | |
| 147 | G | A | -0.8571 | |
| 148 | I | A | 0.0000 | |
| 149 | R | A | -2.0249 | |
| 150 | L | A | -1.4916 | |
| 151 | E | A | -2.4412 | |
| 152 | K | A | -1.6884 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | R | A | -2.3268 | |
| 158 | A | A | 0.0000 | |
| 159 | Q | A | -2.6272 | |
| 160 | T | A | -2.0876 | |
| 161 | D | A | 0.0000 | |
| 162 | T | A | -0.9315 | |
| 163 | T | A | -0.9332 | |
| 164 | N | A | -1.3127 | |
| 165 | F | A | 0.0000 | |
| 166 | H | A | -1.2260 | |
| 167 | Q | A | -1.6394 | |
| 168 | A | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | R | A | -2.2445 | |
| 171 | D | A | -2.5702 | |
| 172 | K | A | -2.2887 | |
| 173 | I | A | 0.0000 | |
| 174 | D | A | 0.0000 | |
| 175 | K | A | -1.7955 | |
| 176 | E | A | -1.6279 | |
| 177 | E | A | -1.1493 | |
| 178 | N | A | -0.0774 | |
| 179 | L | A | 1.0702 | |
| 180 | Q | A | 0.1298 | |
| 181 | T | A | 0.0000 | |
| 182 | P | A | -0.8290 | |
| 183 | G | A | -1.5518 | |
| 184 | L | A | 0.0000 | |
| 185 | H | A | -2.1084 | |
| 186 | K | A | -2.6553 | |
| 187 | K | A | -2.3891 | |
| 188 | L | A | 0.0000 | |
| 189 | M | A | -1.9662 | |
| 190 | E | A | -2.9319 | |
| 191 | V | A | 0.0000 | |
| 192 | F | A | 0.0000 | |
| 193 | N | A | -2.2270 | |
| 194 | A | A | -1.7563 | |
| 195 | L | A | -1.2418 | |
| 196 | K | A | -1.6028 | |
| 197 | R | A | -2.0805 | |
| 198 | P | A | -2.2246 | |
| 199 | E | A | -2.6294 | |
| 200 | L | A | -1.9946 | |
| 201 | E | A | -2.7773 | |
| 202 | S | A | -2.4052 | |
| 203 | S | A | -1.7731 | |
| 204 | Y | A | 0.0000 | |
| 205 | D | A | -1.6019 | |
| 206 | A | A | -0.9364 | |
| 207 | V | A | -1.4026 | |
| 208 | E | A | -2.7904 | |
| 209 | W | A | -2.6939 | |
| 210 | E | A | -3.6946 | |
| 211 | E | A | -3.3124 | |
| 212 | L | A | 0.0000 | |
| 213 | E | A | -3.7674 | |
| 214 | R | A | -3.5052 | |
| 215 | G | A | -2.3343 | |
| 216 | I | A | -2.3747 | |
| 217 | N | A | -2.9617 | |
| 218 | R | A | -2.9983 | |
| 219 | K | A | -2.9208 | |
| 220 | G | A | -1.8574 | |
| 221 | A | A | -1.2144 | |
| 222 | A | A | -1.1103 | |
| 223 | G | A | 0.0000 | |
| 224 | F | A | 0.3554 | |
| 225 | F | A | -0.0232 | |
| 226 | E | A | -1.1458 | |
| 227 | R | A | -2.3488 | |
| 228 | K | A | -2.4952 | |
| 229 | N | A | -2.4588 | |
| 230 | I | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | E | A | -2.8016 | |
| 233 | I | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | D | A | -2.4289 | |
| 236 | S | A | -2.1484 | |
| 237 | E | A | -2.8340 | |
| 238 | K | A | -2.9881 | |
| 239 | N | A | -3.2257 | |
| 240 | K | A | -3.2733 | |
| 241 | V | A | 0.0000 | |
| 242 | E | A | -3.2263 | |
| 243 | E | A | -3.3382 | |
| 244 | I | A | -2.4600 | |
| 245 | I | A | 0.0000 | |
| 246 | D | A | -2.5773 | |
| 247 | N | A | -2.6430 | |
| 248 | L | A | 0.0000 | |
| 249 | K | A | -3.3053 | |
| 250 | K | A | -3.6394 | |
| 251 | G | A | -3.2825 | |
| 252 | R | A | -3.4232 | |
| 253 | N | A | -2.7194 | |
| 254 | I | A | -1.7078 | |
| 255 | K | A | -2.0588 | |
| 256 | Y | A | 0.0000 | |
| 257 | Y | A | 0.0000 | |
| 258 | E | A | 0.0000 | |
| 259 | T | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | I | A | 0.3453 | |
| 262 | P | A | -0.6641 | |
| 263 | K | A | -1.1819 | |
| 264 | N | A | -1.1198 | |
| 265 | E | A | 0.0000 | |
| 266 | K | A | -1.3406 | |
| 267 | R | A | -1.4408 | |
| 268 | D | A | -1.4088 | |
| 269 | V | A | 0.0000 | |
| 270 | N | A | 0.0000 | |
| 271 | D | A | -2.3804 | |
| 272 | D | A | -2.0085 | |
| 273 | W | A | 0.0000 | |
| 274 | T | A | -0.4753 | |
| 275 | A | A | -0.9950 | |
| 276 | G | A | -1.2245 | |
| 277 | D | A | -1.8148 | |
| 278 | F | A | -0.1658 | |
| 279 | V | A | -0.6714 | |
| 280 | E | A | -2.0259 | |
| 281 | E | A | -2.5168 | |
| 282 | K | A | -2.2674 | |
| 283 | K | A | -2.3824 | |
| 284 | P | A | 0.0000 | |
| 285 | R | A | -2.1392 | |
| 286 | V | A | -0.7765 | |
| 287 | I | A | 0.0431 | |
| 288 | Q | A | 0.0000 | |
| 289 | Y | A | 0.2265 | |
| 290 | P | A | 0.0000 | |
| 291 | E | A | -0.5844 | |
| 292 | A | A | 0.0000 | |
| 293 | K | A | -1.3880 | |
| 294 | T | A | 0.0000 | |
| 295 | R | A | -0.4594 | |
| 296 | L | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | T | A | -0.3666 | |
| 300 | K | A | -1.0209 | |
| 301 | V | A | 0.0000 | |
| 302 | M | A | 0.0000 | |
| 303 | Y | A | -1.1467 | |
| 304 | K | A | -1.4050 | |
| 305 | W | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | K | A | -2.0025 | |
| 308 | Q | A | 0.0000 | |
| 309 | K | A | -1.6915 | |
| 310 | P | A | -0.9446 | |
| 311 | V | A | -0.5032 | |
| 312 | V | A | 0.0000 | |
| 313 | I | A | 0.0000 | |
| 314 | P | A | -0.1098 | |
| 315 | G | A | -0.1006 | |
| 316 | Y | A | 0.0115 | |
| 317 | E | A | 0.0000 | |
| 318 | G | A | -0.7081 | |
| 319 | K | A | -1.2452 | |
| 320 | T | A | -0.5071 | |
| 321 | P | A | 0.0000 | |
| 322 | L | A | -0.0239 | |
| 323 | F | A | 0.0000 | |
| 324 | Q | A | -0.1419 | |
| 325 | I | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | D | A | -2.0101 | |
| 328 | K | A | -1.8977 | |
| 329 | V | A | 0.0000 | |
| 330 | K | A | -2.6442 | |
| 331 | K | A | -3.3083 | |
| 332 | E | A | -2.4595 | |
| 333 | W | A | 0.0000 | |
| 334 | D | A | -3.3596 | |
| 335 | Q | A | -2.8621 | |
| 336 | F | A | -2.1607 | |
| 337 | Q | A | -2.3118 | |
| 338 | N | A | -2.1244 | |
| 339 | P | A | -1.6854 | |
| 340 | V | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | S | A | -1.1224 | |
| 344 | F | A | 0.0000 | |
| 345 | D | A | -1.6302 | |
| 346 | T | A | 0.0000 | |
| 347 | K | A | -2.2065 | |
| 348 | A | A | -1.5297 | |
| 349 | W | A | 0.0000 | |
| 350 | D | A | -0.9083 | |
| 351 | T | A | 0.0000 | |
| 352 | Q | A | 0.0000 | |
| 353 | V | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | T | A | -1.3392 | |
| 356 | K | A | -2.2276 | |
| 357 | D | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | E | A | -2.2484 | |
| 360 | L | A | 0.0000 | |
| 361 | I | A | 0.0000 | |
| 362 | K | A | -1.7524 | |
| 363 | D | A | -1.8172 | |
| 364 | I | A | 0.0000 | |
| 365 | Q | A | 0.0000 | |
| 366 | K | A | -2.1738 | |
| 367 | Y | A | -1.4146 | |
| 368 | Y | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | K | A | -3.0728 | |
| 371 | K | A | -3.7200 | |
| 372 | K | A | -3.7612 | |
| 373 | W | A | 0.0000 | |
| 374 | H | A | -3.2448 | |
| 375 | K | A | -3.8724 | |
| 376 | F | A | 0.0000 | |
| 377 | I | A | 0.0000 | |
| 378 | D | A | -2.6189 | |
| 379 | T | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | M | A | -0.5599 | |
| 383 | H | A | 0.0000 | |
| 384 | M | A | 0.0000 | |
| 385 | S | A | -0.5586 | |
| 386 | E | A | -0.4309 | |
| 387 | V | A | 0.0000 | |
| 388 | P | A | 0.0000 | |
| 389 | V | A | 0.0000 | |
| 390 | I | A | 0.0000 | |
| 391 | S | A | 0.0000 | |
| 392 | A | A | 0.1178 | |
| 393 | D | A | 0.0000 | |
| 394 | G | A | 0.0000 | |
| 395 | E | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | Y | A | 0.0000 | |
| 398 | I | A | 0.0000 | |
| 399 | R | A | 0.0000 | |
| 400 | K | A | -0.8213 | |
| 401 | G | A | 0.0000 | |
| 402 | Q | A | 0.0000 | |
| 403 | R | A | 0.0000 | |
| 404 | G | A | 0.0000 | |
| 405 | S | A | -0.2702 | |
| 406 | G | A | -0.0586 | |
| 407 | Q | A | 0.0000 | |
| 408 | P | A | -0.3591 | |
| 409 | D | A | 0.0000 | |
| 410 | T | A | -0.2984 | |
| 411 | S | A | -0.5097 | |
| 412 | A | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | N | A | 0.0000 | |
| 415 | S | A | 0.0000 | |
| 416 | M | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | N | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | T | A | 0.0000 | |
| 422 | M | A | 0.0000 | |
| 423 | I | A | 0.0000 | |
| 424 | Y | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | C | A | 0.0000 | |
| 428 | E | A | -0.9226 | |
| 429 | A | A | 0.0000 | |
| 430 | T | A | -0.9483 | |
| 431 | G | A | -0.7076 | |
| 432 | V | A | -0.8146 | |
| 433 | P | A | -1.1735 | |
| 434 | Y | A | -1.8310 | |
| 435 | K | A | -2.6330 | |
| 436 | S | A | 0.0000 | |
| 437 | F | A | 0.0000 | |
| 438 | D | A | -2.9942 | |
| 439 | R | A | -2.8792 | |
| 440 | V | A | -1.2914 | |
| 441 | A | A | 0.0000 | |
| 442 | K | A | -1.1315 | |
| 443 | I | A | 0.0000 | |
| 444 | H | A | 0.0000 | |
| 445 | V | A | 0.0000 | |
| 446 | C | A | -0.3306 | |
| 447 | G | A | -0.5889 | |
| 448 | D | A | -1.3623 | |
| 449 | D | A | -1.1812 | |
| 450 | G | A | 0.0000 | |
| 451 | F | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | T | A | 0.0000 | |
| 455 | E | A | -1.7243 | |
| 456 | R | A | -1.9809 | |
| 457 | A | A | -1.2845 | |
| 458 | L | A | -0.9672 | |
| 459 | G | A | 0.0000 | |
| 460 | E | A | -1.9646 | |
| 461 | K | A | -2.1832 | |
| 462 | F | A | 0.0000 | |
| 463 | A | A | 0.0000 | |
| 464 | S | A | -1.9265 | |
| 465 | K | A | -1.9728 | |
| 466 | G | A | 0.0000 | |
| 467 | V | A | 0.0000 | |
| 468 | Q | A | -0.8960 | |
| 469 | I | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | Y | A | 0.2066 | |
| 472 | E | A | 0.0000 | |
| 473 | A | A | 0.0000 | |
| 474 | G | A | 0.0000 | |
| 475 | K | A | 0.0000 | |
| 476 | P | A | -0.7045 | |
| 477 | Q | A | 0.0000 | |
| 478 | K | A | -1.7760 | |
| 479 | I | A | -1.2380 | |
| 480 | T | A | -1.7366 | |
| 481 | E | A | -2.4861 | |
| 482 | G | A | -2.1640 | |
| 483 | D | A | -2.7581 | |
| 484 | K | A | -2.3499 | |
| 485 | M | A | 0.0000 | |
| 486 | K | A | -2.0577 | |
| 487 | V | A | -0.9463 | |
| 488 | A | A | 0.0000 | |
| 489 | Y | A | -0.0746 | |
| 490 | Q | A | -1.2211 | |
| 491 | F | A | 0.0000 | |
| 492 | D | A | -1.7456 | |
| 493 | D | A | -2.5959 | |
| 494 | I | A | 0.0000 | |
| 495 | E | A | -2.5758 | |
| 496 | F | A | 0.0000 | |
| 497 | C | A | -0.4499 | |
| 498 | S | A | -0.7368 | |
| 499 | H | A | -0.9846 | |
| 500 | T | A | 0.0000 | |
| 501 | P | A | 0.0000 | |
| 502 | I | A | 0.0000 | |
| 503 | Q | A | -0.6702 | |
| 504 | V | A | 0.0000 | |
| 505 | R | A | -2.7468 | |
| 506 | W | A | 0.0000 | |
| 507 | S | A | -2.3933 | |
| 508 | D | A | -2.8742 | |
| 509 | N | A | -2.8654 | |
| 510 | T | A | -1.6075 | |
| 511 | S | A | -1.6447 | |
| 512 | S | A | -0.7990 | |
| 513 | Y | A | -0.7463 | |
| 514 | M | A | 0.0000 | |
| 515 | P | A | 0.0000 | |
| 516 | G | A | 0.0000 | |
| 517 | R | A | -0.9106 | |
| 518 | N | A | -0.6971 | |
| 519 | T | A | 0.0000 | |
| 520 | T | A | 0.0000 | |
| 521 | T | A | 0.0000 | |
| 522 | I | A | 0.0000 | |
| 523 | L | A | 0.0000 | |
| 524 | A | A | 0.0000 | |
| 525 | K | A | -0.7813 | |
| 526 | M | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | T | A | 0.0000 | |
| 529 | R | A | -0.4660 | |
| 530 | L | A | -0.7549 | |
| 531 | D | A | -1.8513 | |
| 532 | S | A | -1.5560 | |
| 533 | S | A | -1.3979 | |
| 534 | G | A | -1.5703 | |
| 535 | E | A | -1.6181 | |
| 536 | R | A | -1.4862 | |
| 537 | G | A | -1.4111 | |
| 538 | T | A | -0.5895 | |
| 539 | I | A | -0.5015 | |
| 540 | A | A | -0.7891 | |
| 541 | Y | A | -0.7481 | |
| 542 | E | A | 0.0000 | |
| 543 | K | A | 0.0000 | |
| 544 | A | A | 0.0000 | |
| 545 | V | A | 0.0000 | |
| 546 | A | A | 0.0000 | |
| 547 | F | A | 0.0000 | |
| 548 | S | A | 0.0000 | |
| 549 | F | A | 0.2396 | |
| 550 | L | A | 0.0000 | |
| 551 | L | A | 0.0000 | |
| 552 | M | A | 0.2338 | |
| 553 | Y | A | 0.0000 | |
| 554 | S | A | 0.0000 | |
| 555 | W | A | 0.0000 | |
| 556 | N | A | 0.0000 | |
| 557 | P | A | -0.2251 | |
| 558 | L | A | 0.0000 | |
| 559 | I | A | 0.0000 | |
| 560 | R | A | 0.0000 | |
| 561 | R | A | 0.0000 | |
| 562 | I | A | 0.0000 | |
| 563 | C | A | 0.0000 | |
| 564 | L | A | 0.0000 | |
| 565 | L | A | 0.1828 | |
| 566 | V | A | 0.0000 | |
| 567 | L | A | 0.0000 | |
| 568 | S | A | -0.0246 | |
| 569 | T | A | -0.4275 | |
| 570 | E | A | -1.4073 | |
| 571 | L | A | -0.0815 | |
| 572 | Q | A | -1.1928 | |
| 573 | V | A | -0.9225 | |
| 574 | K | A | -2.1872 | |
| 575 | P | A | 0.0000 | |
| 576 | G | A | 0.0000 | |
| 577 | K | A | -2.3434 | |
| 578 | S | A | -1.5948 | |
| 579 | T | A | -1.2453 | |
| 580 | T | A | -0.9545 | |
| 581 | Y | A | 0.0000 | |
| 582 | Y | A | 0.0000 | |
| 583 | Y | A | 0.0000 | |
| 584 | E | A | -2.5047 | |
| 585 | G | A | -2.3568 | |
| 586 | D | A | -1.8220 | |
| 587 | P | A | 0.0000 | |
| 588 | I | A | 0.0000 | |
| 589 | S | A | -1.6192 | |
| 590 | A | A | 0.0000 | |
| 591 | Y | A | 0.0000 | |
| 592 | K | A | -1.7736 | |
| 593 | E | A | -1.5117 | |
| 594 | V | A | 0.0000 | |
| 595 | I | A | -0.3181 | |
| 596 | G | A | -0.8467 | |
| 597 | H | A | -1.2191 | |
| 598 | N | A | -0.9756 | |
| 599 | L | A | 0.0000 | |
| 600 | F | A | -0.6395 | |
| 601 | D | A | -1.7483 | |
| 602 | L | A | 0.0000 | |
| 603 | K | A | -2.7337 | |
| 604 | R | A | -2.6628 | |
| 605 | T | A | -1.1509 | |
| 606 | S | A | -0.3403 | |
| 607 | F | A | 0.4738 | |
| 608 | E | A | -1.3584 | |
| 609 | K | A | -1.2072 | |
| 610 | L | A | -0.3416 | |
| 611 | A | A | -0.5889 | |
| 612 | K | A | -1.4840 | |
| 613 | L | A | 0.0000 | |
| 614 | N | A | -0.0933 | |
| 615 | L | A | 1.2051 | |
| 616 | S | A | 0.0000 | |
| 617 | M | A | 0.0000 | |
| 618 | S | A | 0.8183 | |
| 619 | V | A | 2.0159 | |
| 620 | L | A | 0.0000 | |
| 621 | G | A | -0.3365 | |
| 622 | A | A | 0.0000 | |
| 623 | W | A | -0.6507 | |
| 624 | T | A | -1.5848 | |
| 625 | R | A | -2.4875 | |
| 626 | H | A | -2.2046 | |
| 627 | T | A | 0.0000 | |
| 628 | S | A | -1.8140 | |
| 629 | K | A | -2.7647 | |
| 630 | R | A | -2.1560 | |
| 631 | L | A | 0.0000 | |
| 632 | L | A | -1.4772 | |
| 633 | Q | A | -2.0913 | |
| 634 | D | A | -1.3533 | |
| 635 | C | A | 0.0000 | |
| 636 | V | A | -0.9496 | |
| 637 | N | A | -1.1596 | |
| 638 | V | A | -0.5931 | |
| 639 | G | A | 0.0000 | |
| 640 | V | A | -0.9088 | |
| 641 | K | A | -2.3337 | |
| 642 | E | A | -2.7580 | |
| 643 | G | A | -2.1668 | |
| 644 | N | A | -1.7849 | |
| 645 | W | A | -0.8146 | |
| 646 | L | A | 0.0000 | |
| 647 | V | A | 0.0000 | |
| 648 | N | A | 0.0000 | |
| 649 | A | A | 0.0000 | |
| 650 | D | A | 0.0000 | |
| 651 | R | A | -1.2117 | |
| 652 | L | A | -0.2258 | |
| 653 | V | A | 0.0000 | |
| 654 | S | A | 0.0000 | |
| 655 | S | A | -1.4209 | |
| 656 | K | A | -1.7350 | |
| 657 | T | A | -1.5134 | |
| 658 | G | A | -1.2650 | |
| 659 | N | A | -1.9779 | |
| 660 | R | A | -1.7481 | |
| 661 | Y | A | -0.2339 | |
| 662 | I | A | 1.0025 | |
| 663 | P | A | -0.2155 | |
| 664 | G | A | -0.8774 | |
| 665 | E | A | -2.3911 | |
| 666 | G | A | 0.0000 | |
| 667 | H | A | -2.2608 | |
| 668 | T | A | 0.0000 | |
| 669 | L | A | -0.4839 | |
| 670 | Q | A | -0.9764 | |
| 671 | G | A | -1.6712 | |
| 672 | R | A | -2.4266 | |
| 673 | H | A | -1.5716 | |
| 674 | Y | A | -0.4063 | |
| 675 | E | A | -1.1830 | |
| 676 | E | A | -1.3153 | |
| 677 | L | A | 0.3301 | |
| 678 | V | A | 1.4008 |
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 | -1.0695 | 3.4878 | View | CSV | PDB |
| 4.5 | -1.1278 | 3.2182 | View | CSV | PDB |
| 5.0 | -1.2001 | 2.8518 | View | CSV | PDB |
| 5.5 | -1.2682 | 2.6339 | View | CSV | PDB |
| 6.0 | -1.3123 | 2.6987 | View | CSV | PDB |
| 6.5 | -1.3191 | 2.7985 | View | CSV | PDB |
| 7.0 | -1.291 | 2.9195 | View | CSV | PDB |
| 7.5 | -1.2406 | 3.0484 | View | CSV | PDB |
| 8.0 | -1.1794 | 3.1797 | View | CSV | PDB |
| 8.5 | -1.1118 | 3.3112 | View | CSV | PDB |
| 9.0 | -1.0384 | 3.4413 | 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