| Chain sequence(s) |
A: EVQLVESGGGLVQAGGSLRLSCAASGRSFGSYDMGWYRQAPGKEREFVAAISRSGDSTYVADSVRGRFTISRDNAKNTVYLQMNSLKPEDTAIYYCNAVDHTATLGEYDYWGQGTQVTVSSDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG
C: EVQLVESGGGLVQAGGSLRLSCAASGRSFGSYDMGWYRQAPGKEREFVAAISRSGDSTYVADSVRGRFTISRDNAKNTVYLQMNSLKPEDTAIYYCNAVDHTATLGEYDYWGQGTQVTVSSDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG input PDB |
| Selected Chain(s) | A,C |
| 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 all 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. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6a855f3a37a7c/tmp/folded.pdb (00:19:22)
[INFO] Main: Simulation completed successfully. (00:29:07)
|
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 | E | A | -2.6603 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -1.6278 | |
| 4 | L | A | -0.0958 | |
| 5 | V | A | 0.5621 | |
| 6 | E | A | -0.1631 | |
| 7 | S | A | -0.8329 | |
| 8 | G | A | -0.8889 | |
| 9 | G | A | -0.5233 | |
| 10 | G | A | 0.3078 | |
| 11 | L | A | 1.1236 | |
| 12 | V | A | 0.0766 | |
| 13 | Q | A | -1.2108 | |
| 14 | A | A | -1.3914 | |
| 15 | G | A | -1.2779 | |
| 16 | G | A | -0.8391 | |
| 17 | S | A | -1.1903 | |
| 18 | L | A | -0.7712 | |
| 19 | R | A | -1.9805 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.4492 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -0.3580 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -1.6818 | |
| 26 | G | A | -2.4153 | |
| 27 | R | A | -2.8144 | |
| 28 | S | A | -1.5298 | |
| 29 | F | A | 0.0000 | |
| 30 | G | A | -1.4685 | |
| 31 | S | A | -1.1963 | |
| 32 | Y | A | 0.0000 | |
| 33 | D | A | -1.4263 | |
| 34 | M | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | Y | A | 0.4609 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -1.4695 | |
| 40 | A | A | -1.6487 | |
| 41 | P | A | -1.6369 | |
| 42 | G | A | -1.9000 | |
| 43 | K | A | -3.3936 | |
| 44 | E | A | -3.6453 | |
| 45 | R | A | -2.5194 | |
| 46 | E | A | -0.9467 | |
| 47 | F | A | 1.0053 | |
| 48 | V | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | A | A | 0.4736 | |
| 51 | I | A | 0.0000 | |
| 52 | S | A | -1.5161 | |
| 53 | R | A | -2.7884 | |
| 54 | S | A | -2.0988 | |
| 55 | G | A | -2.2222 | |
| 56 | D | A | -2.3628 | |
| 57 | S | A | -1.0594 | |
| 58 | T | A | -0.0967 | |
| 59 | Y | A | 1.0031 | |
| 60 | V | A | 0.0846 | |
| 61 | A | A | -0.8363 | |
| 62 | D | A | -2.4629 | |
| 63 | S | A | -1.7052 | |
| 64 | V | A | 0.0000 | |
| 65 | R | A | -2.6476 | |
| 66 | G | A | -1.8858 | |
| 67 | R | A | -1.5966 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.7019 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.8557 | |
| 72 | R | A | -1.8082 | |
| 73 | D | A | -2.1163 | |
| 74 | N | A | -2.7368 | |
| 75 | A | A | -1.8147 | |
| 76 | K | A | -2.6418 | |
| 77 | N | A | -2.2586 | |
| 78 | T | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | Y | A | -0.6117 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.3187 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.3451 | |
| 85 | S | A | -1.1867 | |
| 86 | L | A | 0.0000 | |
| 87 | K | A | -2.2280 | |
| 88 | P | A | -1.8470 | |
| 89 | E | A | -2.2848 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.7697 | |
| 92 | A | A | 0.0000 | |
| 93 | I | A | 0.0194 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.2315 | |
| 96 | C | A | 0.0000 | |
| 97 | N | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | V | A | -0.9305 | |
| 100 | D | A | 0.0000 | |
| 101 | H | A | -1.6876 | |
| 102 | T | A | -0.6078 | |
| 103 | A | A | -0.2535 | |
| 104 | T | A | 0.2135 | |
| 105 | L | A | 1.0173 | |
| 106 | G | A | -0.5449 | |
| 107 | E | A | -1.8641 | |
| 108 | Y | A | -0.8043 | |
| 109 | D | A | -1.2911 | |
| 110 | Y | A | -0.2263 | |
| 111 | W | A | 0.7501 | |
| 112 | G | A | 0.0000 | |
| 113 | Q | A | -0.8054 | |
| 114 | G | A | -0.2848 | |
| 115 | T | A | -0.5946 | |
| 116 | Q | A | -0.3243 | |
| 117 | V | A | 0.0000 | |
| 118 | T | A | -0.1161 | |
| 119 | V | A | 0.0000 | |
| 120 | S | A | -0.9109 | |
| 121 | S | A | -1.8065 | |
| 122 | D | A | -2.8538 | |
| 123 | K | A | -2.8561 | |
| 124 | T | A | -1.9121 | |
| 125 | H | A | -1.4609 | |
| 126 | T | A | -0.4817 | |
| 127 | C | A | 0.1658 | |
| 128 | P | A | 0.0085 | |
| 129 | P | A | -0.5080 | |
| 130 | C | A | -0.1213 | |
| 131 | P | A | 0.0000 | |
| 132 | A | A | -0.9935 | |
| 133 | P | A | -1.3396 | |
| 134 | E | A | -1.6521 | |
| 135 | L | A | 0.1321 | |
| 136 | L | A | 0.2845 | |
| 137 | G | A | -0.5222 | |
| 138 | G | A | -0.7169 | |
| 139 | P | A | 0.0000 | |
| 140 | S | A | 0.0895 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.9945 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 1.6861 | |
| 145 | P | A | 0.1846 | |
| 146 | P | A | -1.0072 | |
| 147 | K | A | -1.8727 | |
| 148 | P | A | -1.2538 | |
| 149 | K | A | -1.1076 | |
| 150 | D | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | M | A | 0.1480 | |
| 154 | I | A | 1.3038 | |
| 155 | S | A | -0.0568 | |
| 156 | R | A | -1.2871 | |
| 157 | T | A | -0.6894 | |
| 158 | P | A | 0.0000 | |
| 159 | E | A | -1.2528 | |
| 160 | V | A | 0.0000 | |
| 161 | T | A | 0.2241 | |
| 162 | C | A | 0.0000 | |
| 163 | V | A | 0.6661 | |
| 164 | V | A | 0.0000 | |
| 165 | V | A | -0.2986 | |
| 166 | D | A | -0.9853 | |
| 167 | V | A | 0.0000 | |
| 168 | S | A | -2.2681 | |
| 169 | H | A | -2.7027 | |
| 170 | E | A | -3.2383 | |
| 171 | D | A | -2.6855 | |
| 172 | P | A | -2.4970 | |
| 173 | E | A | -3.0628 | |
| 174 | V | A | 0.0000 | |
| 175 | K | A | -2.3399 | |
| 176 | F | A | -1.3109 | |
| 177 | N | A | -1.5725 | |
| 178 | W | A | 0.0000 | |
| 179 | Y | A | -0.7574 | |
| 180 | V | A | -0.7451 | |
| 181 | D | A | -1.9213 | |
| 182 | G | A | -0.7589 | |
| 183 | V | A | 0.6639 | |
| 184 | E | A | -0.7449 | |
| 185 | V | A | -0.9108 | |
| 186 | H | A | -2.0296 | |
| 187 | N | A | -2.1632 | |
| 188 | A | A | -1.8890 | |
| 189 | K | A | -2.4649 | |
| 190 | T | A | -1.8419 | |
| 191 | K | A | -2.1528 | |
| 192 | P | A | -1.8321 | |
| 193 | R | A | -2.4745 | |
| 194 | E | A | -2.9653 | |
| 195 | E | A | -2.9161 | |
| 196 | Q | A | -1.5077 | |
| 197 | Y | A | 0.3684 | |
| 198 | N | A | -0.5551 | |
| 199 | S | A | -1.0314 | |
| 200 | T | A | -1.6408 | |
| 201 | Y | A | -1.9533 | |
| 202 | R | A | -2.1175 | |
| 203 | V | A | 0.0000 | |
| 204 | V | A | -0.8535 | |
| 205 | S | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | T | A | -0.7881 | |
| 209 | V | A | 0.0000 | |
| 210 | L | A | 0.5314 | |
| 211 | H | A | -0.4028 | |
| 212 | Q | A | -1.3825 | |
| 213 | D | A | -1.2230 | |
| 214 | W | A | 0.0000 | |
| 215 | L | A | -1.3281 | |
| 216 | N | A | -2.0845 | |
| 217 | G | A | 0.0000 | |
| 218 | K | A | -1.9643 | |
| 219 | E | A | -1.9954 | |
| 220 | Y | A | 0.0000 | |
| 221 | K | A | -1.4455 | |
| 222 | C | A | 0.0000 | |
| 223 | K | A | -1.6217 | |
| 224 | V | A | 0.0000 | |
| 225 | S | A | -1.5291 | |
| 226 | N | A | 0.0000 | |
| 227 | K | A | -2.7122 | |
| 228 | A | A | -2.0396 | |
| 229 | L | A | 0.0000 | |
| 230 | P | A | -0.6352 | |
| 231 | A | A | -0.5350 | |
| 232 | P | A | -0.6967 | |
| 233 | I | A | -0.7374 | |
| 234 | E | A | -2.0568 | |
| 235 | K | A | -1.3819 | |
| 236 | T | A | -0.9372 | |
| 237 | I | A | 0.0685 | |
| 238 | S | A | -0.9193 | |
| 239 | K | A | 0.0000 | |
| 240 | A | A | -1.3325 | |
| 241 | K | A | -2.4569 | |
| 242 | G | A | -1.9467 | |
| 243 | Q | A | -1.9951 | |
| 244 | P | A | -1.8880 | |
| 245 | R | A | -1.7823 | |
| 246 | E | A | -2.3543 | |
| 247 | P | A | 0.0000 | |
| 248 | Q | A | -1.0735 | |
| 249 | V | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | P | A | -0.4850 | |
| 254 | P | A | -0.8386 | |
| 255 | S | A | 0.0000 | |
| 256 | R | A | -2.9721 | |
| 257 | E | A | -2.9935 | |
| 258 | E | A | 0.0000 | |
| 259 | M | A | -2.1519 | |
| 260 | T | A | -2.0817 | |
| 261 | K | A | -3.2242 | |
| 262 | N | A | -2.8445 | |
| 263 | Q | A | -2.5002 | |
| 264 | V | A | 0.0000 | |
| 265 | S | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | C | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | K | A | 0.0000 | |
| 272 | G | A | -1.0223 | |
| 273 | F | A | 0.0000 | |
| 274 | Y | A | -1.1212 | |
| 275 | P | A | 0.0000 | |
| 276 | S | A | -0.4006 | |
| 277 | D | A | -0.7337 | |
| 278 | I | A | 0.0000 | |
| 279 | A | A | -0.5934 | |
| 280 | V | A | 0.0000 | |
| 281 | E | A | -1.1906 | |
| 282 | W | A | 0.0000 | |
| 283 | E | A | -1.6922 | |
| 284 | S | A | 0.0000 | |
| 285 | N | A | -1.7188 | |
| 286 | G | A | -1.7189 | |
| 287 | Q | A | -2.2672 | |
| 288 | P | A | -1.9565 | |
| 289 | E | A | -1.8445 | |
| 290 | N | A | -1.9436 | |
| 291 | N | A | -1.1914 | |
| 292 | Y | A | -0.7094 | |
| 293 | K | A | -0.4510 | |
| 294 | T | A | -0.2475 | |
| 295 | T | A | 0.0000 | |
| 296 | P | A | -0.1194 | |
| 297 | P | A | 0.2200 | |
| 298 | V | A | 0.6845 | |
| 299 | L | A | 0.7249 | |
| 300 | D | A | -0.5540 | |
| 301 | S | A | -1.2766 | |
| 302 | D | A | -1.9787 | |
| 303 | G | A | -1.0912 | |
| 304 | S | A | 0.0000 | |
| 305 | F | A | 0.2376 | |
| 306 | F | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | Y | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | K | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | T | A | 0.0000 | |
| 313 | V | A | 0.0000 | |
| 314 | D | A | -2.2655 | |
| 315 | K | A | -2.5828 | |
| 316 | S | A | -2.0470 | |
| 317 | R | A | -1.8218 | |
| 318 | W | A | 0.0000 | |
| 319 | Q | A | -2.2433 | |
| 320 | Q | A | -2.0625 | |
| 321 | G | A | -1.2496 | |
| 322 | N | A | -0.6859 | |
| 323 | V | A | 0.2245 | |
| 324 | F | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | C | A | 0.0000 | |
| 327 | S | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | M | A | 0.0000 | |
| 330 | H | A | 0.0000 | |
| 331 | E | A | -1.2616 | |
| 332 | A | A | -1.5069 | |
| 333 | L | A | -1.4052 | |
| 334 | H | A | -1.7736 | |
| 335 | N | A | -1.6663 | |
| 336 | H | A | -1.2009 | |
| 337 | Y | A | -0.3661 | |
| 338 | T | A | -0.5651 | |
| 339 | Q | A | -0.8494 | |
| 340 | K | A | -0.9249 | |
| 341 | S | A | -0.4469 | |
| 342 | L | A | 0.0000 | |
| 343 | S | A | -0.0430 | |
| 344 | L | A | -0.4953 | |
| 345 | S | A | -0.5692 | |
| 346 | P | A | -0.5723 | |
| 347 | G | A | -0.7703 | |
| 695 | E | C | -2.6266 | |
| 696 | V | C | 0.0000 | |
| 697 | Q | C | -1.7459 | |
| 698 | L | C | 0.0000 | |
| 699 | V | C | 1.0174 | |
| 700 | E | C | 0.0000 | |
| 701 | S | C | -0.6351 | |
| 702 | G | C | -1.0668 | |
| 703 | G | C | -0.9061 | |
| 704 | G | C | -0.0550 | |
| 705 | L | C | 0.9400 | |
| 706 | V | C | 0.0000 | |
| 707 | Q | C | -1.3214 | |
| 708 | A | C | 0.0000 | |
| 709 | G | C | -1.8969 | |
| 710 | G | C | -1.3525 | |
| 711 | S | C | -1.2005 | |
| 712 | L | C | -1.1928 | |
| 713 | R | C | -2.1492 | |
| 714 | L | C | 0.0000 | |
| 715 | S | C | -0.4520 | |
| 716 | C | C | 0.0000 | |
| 717 | A | C | -0.1017 | |
| 718 | A | C | 0.0000 | |
| 719 | S | C | -1.3672 | |
| 720 | G | C | -2.0976 | |
| 721 | R | C | -2.2478 | |
| 722 | S | C | -0.8590 | |
| 723 | F | C | -0.7000 | |
| 724 | G | C | -0.9228 | |
| 725 | S | C | -0.8193 | |
| 726 | Y | C | 0.0000 | |
| 727 | D | C | -1.2259 | |
| 728 | M | C | 0.0000 | |
| 729 | G | C | 0.0000 | |
| 730 | W | C | 0.0000 | |
| 731 | Y | C | -0.2747 | |
| 732 | R | C | -1.4823 | |
| 733 | Q | C | -2.5060 | |
| 734 | A | C | -2.2805 | |
| 735 | P | C | -1.4798 | |
| 736 | G | C | -2.0197 | |
| 737 | K | C | -3.5983 | |
| 738 | E | C | -4.1230 | |
| 739 | R | C | -3.7120 | |
| 740 | E | C | -2.5008 | |
| 741 | F | C | -0.0801 | |
| 742 | V | C | 0.0000 | |
| 743 | A | C | 0.0000 | |
| 744 | A | C | 0.4059 | |
| 745 | I | C | 0.0000 | |
| 746 | S | C | -1.4527 | |
| 747 | R | C | -2.2096 | |
| 748 | S | C | -1.9099 | |
| 749 | G | C | -2.1711 | |
| 750 | D | C | -2.4101 | |
| 751 | S | C | -1.2330 | |
| 752 | T | C | -0.1670 | |
| 753 | Y | C | 1.0838 | |
| 754 | V | C | 0.0917 | |
| 755 | A | C | -0.9295 | |
| 756 | D | C | -2.2052 | |
| 757 | S | C | -1.4861 | |
| 758 | V | C | 0.0000 | |
| 759 | R | C | -2.3009 | |
| 760 | G | C | -1.6921 | |
| 761 | R | C | -1.6658 | |
| 762 | F | C | 0.0000 | |
| 763 | T | C | -0.7168 | |
| 764 | I | C | 0.0000 | |
| 765 | S | C | -0.8980 | |
| 766 | R | C | -1.6780 | |
| 767 | D | C | -1.9033 | |
| 768 | N | C | -1.8882 | |
| 769 | A | C | -1.3828 | |
| 770 | K | C | -2.2804 | |
| 771 | N | C | -1.6146 | |
| 772 | T | C | 0.0000 | |
| 773 | V | C | 0.0000 | |
| 774 | Y | C | -0.7940 | |
| 775 | L | C | 0.0000 | |
| 776 | Q | C | -1.5256 | |
| 777 | M | C | 0.0000 | |
| 778 | N | C | -1.3508 | |
| 779 | S | C | -1.4254 | |
| 780 | L | C | 0.0000 | |
| 781 | K | C | -2.3684 | |
| 782 | P | C | -2.0283 | |
| 783 | E | C | -2.3536 | |
| 784 | D | C | 0.0000 | |
| 785 | T | C | -0.9623 | |
| 786 | A | C | 0.0000 | |
| 787 | I | C | -0.6390 | |
| 788 | Y | C | 0.0000 | |
| 789 | Y | C | -0.2082 | |
| 790 | C | C | 0.0000 | |
| 791 | N | C | 0.0000 | |
| 792 | A | C | 0.0000 | |
| 793 | V | C | -0.9743 | |
| 794 | D | C | 0.0000 | |
| 795 | H | C | -1.6335 | |
| 796 | T | C | -0.5809 | |
| 797 | A | C | -0.2229 | |
| 798 | T | C | 0.2453 | |
| 799 | L | C | 1.0762 | |
| 800 | G | C | -0.4186 | |
| 801 | E | C | -1.7911 | |
| 802 | Y | C | -0.6751 | |
| 803 | D | C | -1.4233 | |
| 804 | Y | C | -0.7173 | |
| 805 | W | C | 0.0281 | |
| 806 | G | C | -0.1065 | |
| 807 | Q | C | -0.8095 | |
| 808 | G | C | 0.0000 | |
| 809 | T | C | -0.7499 | |
| 810 | Q | C | -1.0203 | |
| 811 | V | C | 0.0000 | |
| 812 | T | C | -0.2810 | |
| 813 | V | C | 0.0000 | |
| 814 | S | C | -0.9476 | |
| 815 | S | C | -1.5133 | |
| 816 | D | C | -2.2123 | |
| 817 | K | C | -2.4336 | |
| 818 | T | C | -1.4885 | |
| 819 | H | C | -1.0303 | |
| 820 | T | C | -0.2672 | |
| 821 | C | C | 0.4415 | |
| 822 | P | C | 0.0937 | |
| 823 | P | C | 0.0193 | |
| 824 | C | C | -0.1240 | |
| 825 | P | C | -0.4912 | |
| 826 | A | C | -0.6345 | |
| 827 | P | C | -0.7420 | |
| 828 | E | C | -0.7902 | |
| 829 | L | C | 1.4393 | |
| 830 | L | C | 1.6059 | |
| 831 | G | C | 0.2991 | |
| 832 | G | C | -0.2176 | |
| 833 | P | C | 0.0000 | |
| 834 | S | C | -0.3112 | |
| 835 | V | C | 0.0000 | |
| 836 | F | C | 0.9489 | |
| 837 | L | C | 0.6927 | |
| 838 | F | C | 0.9963 | |
| 839 | P | C | -0.1305 | |
| 840 | P | C | 0.0000 | |
| 841 | K | C | -1.9973 | |
| 842 | P | C | -1.3436 | |
| 843 | K | C | -1.3345 | |
| 844 | D | C | -1.2652 | |
| 845 | T | C | 0.0000 | |
| 846 | L | C | 0.0000 | |
| 847 | M | C | 0.2608 | |
| 848 | I | C | 1.3277 | |
| 849 | S | C | -0.1110 | |
| 850 | R | C | -1.3919 | |
| 851 | T | C | -0.7172 | |
| 852 | P | C | 0.0000 | |
| 853 | E | C | -0.5536 | |
| 854 | V | C | 0.0000 | |
| 855 | T | C | 0.2406 | |
| 856 | C | C | 0.0000 | |
| 857 | V | C | 0.6205 | |
| 858 | V | C | 0.0000 | |
| 859 | V | C | -0.9097 | |
| 860 | D | C | -2.0878 | |
| 861 | V | C | 0.0000 | |
| 862 | S | C | -2.2566 | |
| 863 | H | C | -2.5676 | |
| 864 | E | C | -2.6636 | |
| 865 | D | C | -2.3260 | |
| 866 | P | C | -2.5571 | |
| 867 | E | C | -2.9468 | |
| 868 | V | C | -1.9995 | |
| 869 | K | C | -2.2624 | |
| 870 | F | C | -1.3100 | |
| 871 | N | C | -1.6795 | |
| 872 | W | C | 0.0000 | |
| 873 | Y | C | -0.5802 | |
| 874 | V | C | -0.7249 | |
| 875 | D | C | -1.8988 | |
| 876 | G | C | -0.7098 | |
| 877 | V | C | 0.6839 | |
| 878 | E | C | -0.6275 | |
| 879 | V | C | -0.6322 | |
| 880 | H | C | -1.7140 | |
| 881 | N | C | -2.0647 | |
| 882 | A | C | -1.7644 | |
| 883 | K | C | -2.4183 | |
| 884 | T | C | -1.9930 | |
| 885 | K | C | -2.6072 | |
| 886 | P | C | -2.9249 | |
| 887 | R | C | -3.4626 | |
| 888 | E | C | -2.5882 | |
| 889 | E | C | -2.7916 | |
| 890 | Q | C | -1.6905 | |
| 891 | Y | C | 0.0636 | |
| 892 | N | C | -1.3101 | |
| 893 | S | C | -1.4311 | |
| 894 | T | C | -2.0713 | |
| 895 | Y | C | 0.0000 | |
| 896 | R | C | -2.3150 | |
| 897 | V | C | 0.0000 | |
| 898 | V | C | -0.8227 | |
| 899 | S | C | 0.0000 | |
| 900 | V | C | -0.7277 | |
| 901 | L | C | 0.0000 | |
| 902 | T | C | -0.4189 | |
| 903 | V | C | 0.2767 | |
| 904 | L | C | 1.1568 | |
| 905 | H | C | -0.1506 | |
| 906 | Q | C | -1.2754 | |
| 907 | D | C | -0.9481 | |
| 908 | W | C | 0.0000 | |
| 909 | L | C | -1.0470 | |
| 910 | N | C | -2.1139 | |
| 911 | G | C | 0.0000 | |
| 912 | K | C | -1.9925 | |
| 913 | E | C | -2.0782 | |
| 914 | Y | C | 0.0000 | |
| 915 | K | C | -1.6108 | |
| 916 | C | C | 0.0000 | |
| 917 | K | C | -2.0983 | |
| 918 | V | C | 0.0000 | |
| 919 | S | C | -1.5873 | |
| 920 | N | C | -1.6878 | |
| 921 | K | C | -2.3443 | |
| 922 | A | C | -1.3204 | |
| 923 | L | C | -0.0436 | |
| 924 | P | C | 0.0033 | |
| 925 | A | C | -0.3424 | |
| 926 | P | C | -1.0091 | |
| 927 | I | C | -0.9500 | |
| 928 | E | C | -2.3779 | |
| 929 | K | C | -1.5412 | |
| 930 | T | C | -0.9365 | |
| 931 | I | C | -0.1532 | |
| 932 | S | C | -1.1006 | |
| 933 | K | C | -1.1580 | |
| 934 | A | C | -1.1214 | |
| 935 | K | C | -2.3589 | |
| 936 | G | C | -2.0759 | |
| 937 | Q | C | -2.1887 | |
| 938 | P | C | -2.2602 | |
| 939 | R | C | -2.8961 | |
| 940 | E | C | -2.7575 | |
| 941 | P | C | 0.0000 | |
| 942 | Q | C | -1.1722 | |
| 943 | V | C | -0.6542 | |
| 944 | Y | C | 0.0000 | |
| 945 | T | C | 0.0000 | |
| 946 | L | C | 0.0000 | |
| 947 | P | C | -0.4275 | |
| 948 | P | C | 0.0000 | |
| 949 | S | C | 0.0000 | |
| 950 | R | C | -1.3477 | |
| 951 | E | C | -1.3267 | |
| 952 | E | C | 0.0000 | |
| 953 | M | C | -1.2969 | |
| 954 | T | C | -1.5391 | |
| 955 | K | C | -2.9031 | |
| 956 | N | C | -3.1945 | |
| 957 | Q | C | -3.2006 | |
| 958 | V | C | 0.0000 | |
| 959 | S | C | 0.0000 | |
| 960 | L | C | 0.0000 | |
| 961 | T | C | 0.0000 | |
| 962 | C | C | 0.0000 | |
| 963 | L | C | 0.0000 | |
| 964 | V | C | 0.0000 | |
| 965 | K | C | -0.4221 | |
| 966 | G | C | 0.0000 | |
| 967 | F | C | 0.0000 | |
| 968 | Y | C | -1.3604 | |
| 969 | P | C | 0.0000 | |
| 970 | S | C | -0.1118 | |
| 971 | D | C | -0.6797 | |
| 972 | I | C | 0.0000 | |
| 973 | A | C | 0.0000 | |
| 974 | V | C | 0.0000 | |
| 975 | E | C | -1.0351 | |
| 976 | W | C | 0.0000 | |
| 977 | E | C | -1.9227 | |
| 978 | S | C | 0.0000 | |
| 979 | N | C | -1.8470 | |
| 980 | G | C | -1.8426 | |
| 981 | Q | C | -2.3442 | |
| 982 | P | C | -1.9450 | |
| 983 | E | C | -2.1039 | |
| 984 | N | C | -2.2448 | |
| 985 | N | C | -1.8679 | |
| 986 | Y | C | -1.1915 | |
| 987 | K | C | -0.7849 | |
| 988 | T | C | -0.2406 | |
| 989 | T | C | 0.0000 | |
| 990 | P | C | -0.0935 | |
| 991 | P | C | 0.2549 | |
| 992 | V | C | 0.7821 | |
| 993 | L | C | 1.0336 | |
| 994 | D | C | -0.2821 | |
| 995 | S | C | -1.0285 | |
| 996 | D | C | -1.9230 | |
| 997 | G | C | -0.9917 | |
| 998 | S | C | -0.8563 | |
| 999 | F | C | 0.1707 | |
| 1000 | F | C | 0.0000 | |
| 1001 | L | C | 0.0000 | |
| 1002 | Y | C | 0.0000 | |
| 1003 | S | C | 0.0000 | |
| 1004 | K | C | 0.0000 | |
| 1005 | L | C | 0.0000 | |
| 1006 | T | C | -1.0836 | |
| 1007 | V | C | 0.0000 | |
| 1008 | D | C | -3.2345 | |
| 1009 | K | C | -3.0819 | |
| 1010 | S | C | -2.2790 | |
| 1011 | R | C | -2.0591 | |
| 1012 | W | C | 0.0000 | |
| 1013 | Q | C | -2.3148 | |
| 1014 | Q | C | -2.0274 | |
| 1015 | G | C | -1.0862 | |
| 1016 | N | C | -0.9361 | |
| 1017 | V | C | -0.1380 | |
| 1018 | F | C | 0.0000 | |
| 1019 | S | C | -0.8088 | |
| 1020 | C | C | 0.0000 | |
| 1021 | S | C | 0.0000 | |
| 1022 | V | C | 0.0000 | |
| 1023 | M | C | 0.0000 | |
| 1024 | H | C | 0.0000 | |
| 1025 | E | C | -1.4460 | |
| 1026 | A | C | -1.5531 | |
| 1027 | L | C | -1.4416 | |
| 1028 | H | C | -1.7549 | |
| 1029 | N | C | -1.4811 | |
| 1030 | H | C | -1.0151 | |
| 1031 | Y | C | -0.4554 | |
| 1032 | T | C | -0.5310 | |
| 1033 | Q | C | -0.7169 | |
| 1034 | K | C | -0.6116 | |
| 1035 | S | C | -0.3731 | |
| 1036 | L | C | 0.0000 | |
| 1037 | S | C | -0.1294 | |
| 1038 | L | C | -0.1551 | |
| 1039 | S | C | -0.3587 | |
| 1040 | P | C | -0.4659 | |
| 1041 | G | C | -0.9285 |
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 | -0.7314 | 4.3923 | View | CSV | PDB |
| 4.5 | -0.7936 | 4.3735 | View | CSV | PDB |
| 5.0 | -0.8679 | 4.3528 | View | CSV | PDB |
| 5.5 | -0.9389 | 4.3435 | View | CSV | PDB |
| 6.0 | -0.9908 | 4.3567 | View | CSV | PDB |
| 6.5 | -1.0131 | 4.3961 | View | CSV | PDB |
| 7.0 | -1.0078 | 4.4592 | View | CSV | PDB |
| 7.5 | -0.9858 | 4.5375 | View | CSV | PDB |
| 8.0 | -0.955 | 4.6227 | View | CSV | PDB |
| 8.5 | -0.9174 | 4.7097 | View | CSV | PDB |
| 9.0 | -0.8732 | 4.7955 | 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