| Chain sequence(s) |
A: MSANSSRVGQLLLQGSACIRWKQDVEGGGGSMSANSSRVGQLLLQGSACIRWKQDVEGGGGSMSANSSRVGQLLLQGSACIRWKQDVEGGGGSEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
B: MSANSSRVGQLLLQGSACIRWKQDVEGGGGSMSANSSRVGQLLLQGSACIRWKQDVEGGGGSMSANSSRVGQLLLQGSACIRWKQDVEGGGGSEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK input PDB |
| Selected Chain(s) | A,B |
| 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 all 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:44)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ad8bcb3802128a2/tmp/folded.pdb (00:08:44)
[INFO] Main: Simulation completed successfully. (00:11:57)
|
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 | M | A | 0.4072 | |
| 2 | S | A | 0.1384 | |
| 3 | A | A | -0.6620 | |
| 4 | N | A | -1.3792 | |
| 5 | S | A | -1.7076 | |
| 6 | S | A | -1.9025 | |
| 7 | R | A | -2.6209 | |
| 8 | V | A | -1.3051 | |
| 9 | G | A | -1.5605 | |
| 10 | Q | A | -1.0475 | |
| 11 | L | A | 0.9824 | |
| 12 | L | A | 1.5075 | |
| 13 | L | A | 1.1733 | |
| 14 | Q | A | -0.8542 | |
| 15 | G | A | -1.1422 | |
| 16 | S | A | -0.7376 | |
| 17 | A | A | -0.0784 | |
| 18 | C | A | -0.2082 | |
| 19 | I | A | -0.5256 | |
| 20 | R | A | -2.5207 | |
| 21 | W | A | -2.0414 | |
| 22 | K | A | -3.1500 | |
| 23 | Q | A | -2.4114 | |
| 24 | D | A | -3.0467 | |
| 25 | V | A | -2.2758 | |
| 26 | E | A | -3.0573 | |
| 27 | G | A | -2.0398 | |
| 28 | G | A | -1.6301 | |
| 29 | G | A | -1.0019 | |
| 30 | G | A | -0.8523 | |
| 31 | S | A | -0.4552 | |
| 32 | M | A | 0.0000 | |
| 33 | S | A | -0.1076 | |
| 34 | A | A | 0.0000 | |
| 35 | N | A | -1.1197 | |
| 36 | S | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | R | A | -2.8218 | |
| 39 | V | A | 0.0000 | |
| 40 | G | A | -1.7958 | |
| 41 | Q | A | -1.0685 | |
| 42 | L | A | 0.0000 | |
| 43 | L | A | 0.6229 | |
| 44 | L | A | 0.0000 | |
| 45 | Q | A | -0.8517 | |
| 46 | G | A | -1.1400 | |
| 47 | S | A | -0.9203 | |
| 48 | A | A | 0.0000 | |
| 49 | C | A | -0.5791 | |
| 50 | I | A | 0.0000 | |
| 51 | R | A | -2.6288 | |
| 52 | W | A | 0.0000 | |
| 53 | K | A | -2.8809 | |
| 54 | Q | A | 0.0000 | |
| 55 | D | A | -2.7138 | |
| 56 | V | A | 0.0000 | |
| 57 | E | A | -3.3723 | |
| 58 | G | A | -2.2281 | |
| 59 | G | A | -1.6657 | |
| 60 | G | A | -1.2669 | |
| 61 | G | A | -1.2608 | |
| 62 | S | A | -0.6646 | |
| 63 | M | A | 0.0000 | |
| 64 | S | A | -0.2663 | |
| 65 | A | A | 0.0000 | |
| 66 | N | A | -0.9149 | |
| 67 | S | A | 0.0000 | |
| 68 | S | A | -1.3595 | |
| 69 | R | A | 0.0000 | |
| 70 | V | A | 0.0000 | |
| 71 | G | A | -1.4399 | |
| 72 | Q | A | -1.2624 | |
| 73 | L | A | 0.0000 | |
| 74 | L | A | 0.1935 | |
| 75 | L | A | 0.0000 | |
| 76 | Q | A | -1.0113 | |
| 77 | G | A | -1.1331 | |
| 78 | S | A | -0.8024 | |
| 79 | A | A | 0.0000 | |
| 80 | C | A | -0.6160 | |
| 81 | I | A | 0.0000 | |
| 82 | R | A | -2.7490 | |
| 83 | W | A | 0.0000 | |
| 84 | K | A | -2.1321 | |
| 85 | Q | A | 0.0000 | |
| 86 | D | A | -1.8150 | |
| 87 | V | A | 0.0000 | |
| 88 | E | A | -2.8842 | |
| 89 | G | A | -2.0457 | |
| 90 | G | A | -1.5528 | |
| 91 | G | A | 0.0000 | |
| 92 | G | A | -1.8536 | |
| 93 | S | A | -2.5999 | |
| 94 | E | A | -3.3404 | |
| 95 | P | A | -3.0106 | |
| 96 | K | A | -3.0663 | |
| 97 | S | A | -1.9696 | |
| 98 | C | A | -2.4089 | |
| 99 | D | A | -2.8846 | |
| 100 | K | A | -2.6957 | |
| 101 | T | A | -1.7316 | |
| 102 | H | A | -1.6502 | |
| 103 | T | A | -0.8657 | |
| 104 | C | A | -0.2298 | |
| 105 | P | A | -0.2481 | |
| 106 | P | A | -0.0834 | |
| 107 | C | A | 0.2845 | |
| 108 | P | A | -0.2308 | |
| 109 | A | A | -0.4430 | |
| 110 | P | A | -1.0806 | |
| 111 | E | A | -1.7146 | |
| 112 | L | A | -0.6461 | |
| 113 | L | A | 0.3996 | |
| 114 | G | A | -0.3679 | |
| 115 | G | A | -0.4753 | |
| 116 | P | A | 0.0000 | |
| 117 | S | A | 0.2335 | |
| 118 | V | A | 0.0000 | |
| 119 | F | A | 1.1041 | |
| 120 | L | A | 0.8235 | |
| 121 | F | A | 1.0249 | |
| 122 | P | A | -0.2506 | |
| 123 | P | A | 0.0000 | |
| 124 | K | A | -2.1152 | |
| 125 | P | A | -1.2862 | |
| 126 | K | A | -0.9863 | |
| 127 | D | A | 0.0000 | |
| 128 | T | A | 0.0000 | |
| 129 | L | A | -0.2105 | |
| 130 | M | A | 0.7161 | |
| 131 | I | A | 1.8175 | |
| 132 | S | A | 0.3347 | |
| 133 | R | A | -0.7589 | |
| 134 | T | A | -0.4783 | |
| 135 | P | A | 0.0000 | |
| 136 | E | A | -1.0524 | |
| 137 | V | A | 0.0000 | |
| 138 | T | A | 0.1404 | |
| 139 | C | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | V | A | -0.8215 | |
| 143 | D | A | -1.2704 | |
| 144 | V | A | 0.0000 | |
| 145 | S | A | -2.2427 | |
| 146 | H | A | -2.6241 | |
| 147 | E | A | -2.9582 | |
| 148 | D | A | -2.5799 | |
| 149 | P | A | -2.7264 | |
| 150 | E | A | -3.1309 | |
| 151 | V | A | -2.0539 | |
| 152 | K | A | -2.2484 | |
| 153 | F | A | -1.2650 | |
| 154 | N | A | -1.1843 | |
| 155 | W | A | 0.0000 | |
| 156 | Y | A | -0.5407 | |
| 157 | V | A | -0.7035 | |
| 158 | D | A | -1.7927 | |
| 159 | G | A | -0.7187 | |
| 160 | V | A | 0.6746 | |
| 161 | E | A | -0.6339 | |
| 162 | V | A | -0.5098 | |
| 163 | H | A | -1.8782 | |
| 164 | N | A | -2.1785 | |
| 165 | A | A | -1.8962 | |
| 166 | K | A | -2.4521 | |
| 167 | T | A | -2.0026 | |
| 168 | K | A | -2.4007 | |
| 169 | P | A | -2.4761 | |
| 170 | R | A | -3.7238 | |
| 171 | E | A | -3.9556 | |
| 172 | E | A | -3.5827 | |
| 173 | Q | A | -2.0054 | |
| 174 | Y | A | 0.0927 | |
| 175 | N | A | -0.8677 | |
| 176 | S | A | -1.1129 | |
| 177 | T | A | -2.0800 | |
| 178 | Y | A | 0.0000 | |
| 179 | R | A | -2.5137 | |
| 180 | V | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | T | A | -0.6718 | |
| 186 | V | A | 0.0000 | |
| 187 | L | A | 0.5767 | |
| 188 | H | A | -0.1570 | |
| 189 | Q | A | -1.4796 | |
| 190 | D | A | -1.3837 | |
| 191 | W | A | 0.0000 | |
| 192 | L | A | -1.0583 | |
| 193 | N | A | -2.1638 | |
| 194 | G | A | -2.1138 | |
| 195 | K | A | -2.2961 | |
| 196 | E | A | -1.9738 | |
| 197 | Y | A | 0.0000 | |
| 198 | K | A | -1.5554 | |
| 199 | C | A | 0.0000 | |
| 200 | K | A | -1.6809 | |
| 201 | V | A | 0.0000 | |
| 202 | S | A | -1.5595 | |
| 203 | N | A | 0.0000 | |
| 204 | K | A | -2.5905 | |
| 205 | A | A | -1.5325 | |
| 206 | L | A | 0.0000 | |
| 207 | P | A | -0.8298 | |
| 208 | A | A | -0.6339 | |
| 209 | P | A | -0.9827 | |
| 210 | I | A | -0.8172 | |
| 211 | E | A | -2.1429 | |
| 212 | K | A | -1.2588 | |
| 213 | T | A | -0.9627 | |
| 214 | I | A | -0.1933 | |
| 215 | S | A | -1.1245 | |
| 216 | K | A | -1.3488 | |
| 217 | A | A | -1.2093 | |
| 218 | K | A | -2.3677 | |
| 219 | G | A | -2.0345 | |
| 220 | Q | A | -2.2575 | |
| 221 | P | A | -1.9989 | |
| 222 | R | A | -2.5519 | |
| 223 | E | A | -2.8672 | |
| 224 | P | A | 0.0000 | |
| 225 | Q | A | -1.3655 | |
| 226 | V | A | 0.0000 | |
| 227 | Y | A | 0.0000 | |
| 228 | T | A | -0.7683 | |
| 229 | L | A | 0.0000 | |
| 230 | P | A | -0.3590 | |
| 231 | P | A | -0.8513 | |
| 232 | S | A | 0.0000 | |
| 233 | R | A | -2.6744 | |
| 234 | D | A | -2.7475 | |
| 235 | E | A | 0.0000 | |
| 236 | L | A | -1.7761 | |
| 237 | T | A | -1.5661 | |
| 238 | K | A | -2.1365 | |
| 239 | N | A | -2.4386 | |
| 240 | Q | A | -2.2112 | |
| 241 | V | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | C | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | K | A | -0.6041 | |
| 249 | G | A | -1.1136 | |
| 250 | F | A | 0.0000 | |
| 251 | Y | A | -1.2554 | |
| 252 | P | A | 0.0000 | |
| 253 | S | A | -0.2938 | |
| 254 | D | A | -1.1664 | |
| 255 | I | A | -0.6405 | |
| 256 | A | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | E | A | -1.2245 | |
| 259 | W | A | 0.0000 | |
| 260 | E | A | -1.6226 | |
| 261 | S | A | 0.0000 | |
| 262 | N | A | -1.7816 | |
| 263 | G | A | -1.6905 | |
| 264 | Q | A | -2.2422 | |
| 265 | P | A | -1.8865 | |
| 266 | E | A | 0.0000 | |
| 267 | N | A | -2.1209 | |
| 268 | N | A | -1.6585 | |
| 269 | Y | A | -1.1104 | |
| 270 | K | A | -0.8320 | |
| 271 | T | A | -0.2634 | |
| 272 | T | A | 0.0000 | |
| 273 | P | A | -0.1941 | |
| 274 | P | A | 0.0347 | |
| 275 | V | A | 0.0000 | |
| 276 | L | A | 0.6856 | |
| 277 | D | A | -0.6010 | |
| 278 | S | A | -1.2044 | |
| 279 | D | A | -1.9256 | |
| 280 | G | A | -0.9656 | |
| 281 | S | A | 0.0000 | |
| 282 | F | A | 0.0064 | |
| 283 | F | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | Y | A | 0.0000 | |
| 286 | S | A | 0.0000 | |
| 287 | K | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | T | A | -0.9410 | |
| 290 | V | A | 0.0000 | |
| 291 | D | A | -2.5266 | |
| 292 | K | A | -2.5014 | |
| 293 | S | A | -2.1882 | |
| 294 | R | A | -1.9893 | |
| 295 | W | A | 0.0000 | |
| 296 | Q | A | -2.0910 | |
| 297 | Q | A | -1.9826 | |
| 298 | G | A | -1.0411 | |
| 299 | N | A | -0.7738 | |
| 300 | V | A | 0.6525 | |
| 301 | F | A | 0.0000 | |
| 302 | S | A | -0.6653 | |
| 303 | C | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | M | A | 0.0000 | |
| 307 | H | A | 0.0000 | |
| 308 | E | A | -1.1382 | |
| 309 | A | A | -1.6188 | |
| 310 | L | A | -1.5218 | |
| 311 | H | A | -1.7669 | |
| 312 | N | A | -1.6367 | |
| 313 | H | A | -1.1209 | |
| 314 | Y | A | -0.3023 | |
| 315 | T | A | -0.7026 | |
| 316 | Q | A | -1.1779 | |
| 317 | K | A | -1.0437 | |
| 318 | S | A | -0.3676 | |
| 319 | L | A | 0.0000 | |
| 320 | S | A | 0.0977 | |
| 321 | L | A | -0.0995 | |
| 322 | S | A | -0.5612 | |
| 323 | P | A | -1.2561 | |
| 324 | G | A | -2.0467 | |
| 325 | K | A | -2.4882 | |
| 1 | M | B | 0.3614 | |
| 2 | S | B | -0.1807 | |
| 3 | A | B | -0.9310 | |
| 4 | N | B | -2.0734 | |
| 5 | S | B | -2.0186 | |
| 6 | S | B | -1.8998 | |
| 7 | R | B | -2.9393 | |
| 8 | V | B | -1.7073 | |
| 9 | G | B | -1.8950 | |
| 10 | Q | B | -1.4124 | |
| 11 | L | B | 0.2162 | |
| 12 | L | B | 1.0609 | |
| 13 | L | B | 0.0000 | |
| 14 | Q | B | -1.2145 | |
| 15 | G | B | -1.2452 | |
| 16 | S | B | -0.7024 | |
| 17 | A | B | 0.0070 | |
| 18 | C | B | -0.0234 | |
| 19 | I | B | -0.6361 | |
| 20 | R | B | -2.7477 | |
| 21 | W | B | -2.1825 | |
| 22 | K | B | -3.2135 | |
| 23 | Q | B | -2.5201 | |
| 24 | D | B | -3.3649 | |
| 25 | V | B | 0.0000 | |
| 26 | E | B | -3.3504 | |
| 27 | G | B | -1.8721 | |
| 28 | G | B | -1.4865 | |
| 29 | G | B | -0.8859 | |
| 30 | G | B | -1.2054 | |
| 31 | S | B | -0.4880 | |
| 32 | M | B | 0.0000 | |
| 33 | S | B | -0.3520 | |
| 34 | A | B | 0.0000 | |
| 35 | N | B | -1.6726 | |
| 36 | S | B | 0.0000 | |
| 37 | S | B | 0.0000 | |
| 38 | R | B | -3.0030 | |
| 39 | V | B | 0.0000 | |
| 40 | G | B | -1.9284 | |
| 41 | Q | B | -1.4272 | |
| 42 | L | B | 0.0000 | |
| 43 | L | B | 0.3193 | |
| 44 | L | B | 0.0000 | |
| 45 | Q | B | -0.9093 | |
| 46 | G | B | -1.2632 | |
| 47 | S | B | -0.8422 | |
| 48 | A | B | 0.0000 | |
| 49 | C | B | -0.5894 | |
| 50 | I | B | 0.0000 | |
| 51 | R | B | -3.2705 | |
| 52 | W | B | 0.0000 | |
| 53 | K | B | -2.7964 | |
| 54 | Q | B | 0.0000 | |
| 55 | D | B | -2.7554 | |
| 56 | V | B | 0.0000 | |
| 57 | E | B | -3.9003 | |
| 58 | G | B | -2.5301 | |
| 59 | G | B | -1.8057 | |
| 60 | G | B | 0.0000 | |
| 61 | G | B | -1.3939 | |
| 62 | S | B | -0.6925 | |
| 63 | M | B | 0.0000 | |
| 64 | S | B | -0.2875 | |
| 65 | A | B | 0.0000 | |
| 66 | N | B | -1.1133 | |
| 67 | S | B | 0.0000 | |
| 68 | S | B | -1.2209 | |
| 69 | R | B | 0.0000 | |
| 70 | V | B | 0.0000 | |
| 71 | G | B | -1.5930 | |
| 72 | Q | B | -1.3245 | |
| 73 | L | B | 0.0000 | |
| 74 | L | B | 0.2322 | |
| 75 | L | B | 0.0000 | |
| 76 | Q | B | -0.9364 | |
| 77 | G | B | -1.1965 | |
| 78 | S | B | -0.8203 | |
| 79 | A | B | 0.0000 | |
| 80 | C | B | -0.6176 | |
| 81 | I | B | 0.0000 | |
| 82 | R | B | -3.2176 | |
| 83 | W | B | 0.0000 | |
| 84 | K | B | -2.0229 | |
| 85 | Q | B | 0.0000 | |
| 86 | D | B | -1.8126 | |
| 87 | V | B | 0.0000 | |
| 88 | E | B | -3.1744 | |
| 89 | G | B | -2.4065 | |
| 90 | G | B | -1.7603 | |
| 91 | G | B | -1.5874 | |
| 92 | G | B | -1.8154 | |
| 93 | S | B | -2.3716 | |
| 94 | E | B | -3.2910 | |
| 95 | P | B | -3.0810 | |
| 96 | K | B | -3.1757 | |
| 97 | S | B | -2.0654 | |
| 98 | C | B | -2.5960 | |
| 99 | D | B | -3.0126 | |
| 100 | K | B | -2.7631 | |
| 101 | T | B | -1.8438 | |
| 102 | H | B | -1.8352 | |
| 103 | T | B | -0.9496 | |
| 104 | C | B | -0.2448 | |
| 105 | P | B | -0.2611 | |
| 106 | P | B | -0.0755 | |
| 107 | C | B | 0.3000 | |
| 108 | P | B | -0.2599 | |
| 109 | A | B | -0.4590 | |
| 110 | P | B | -1.1282 | |
| 111 | E | B | -1.7961 | |
| 112 | L | B | -0.7429 | |
| 113 | L | B | 0.1184 | |
| 114 | G | B | -0.4876 | |
| 115 | G | B | -0.4746 | |
| 116 | P | B | 0.0000 | |
| 117 | S | B | 0.2250 | |
| 118 | V | B | 0.0000 | |
| 119 | F | B | 1.0201 | |
| 120 | L | B | 0.8228 | |
| 121 | F | B | 1.0831 | |
| 122 | P | B | -0.2163 | |
| 123 | P | B | 0.0000 | |
| 124 | K | B | -2.2005 | |
| 125 | P | B | -1.3331 | |
| 126 | K | B | -1.1416 | |
| 127 | D | B | -1.2503 | |
| 128 | T | B | 0.0000 | |
| 129 | L | B | 0.0000 | |
| 130 | M | B | 0.4036 | |
| 131 | I | B | 1.5025 | |
| 132 | S | B | 0.0870 | |
| 133 | R | B | -1.2326 | |
| 134 | T | B | -0.7428 | |
| 135 | P | B | 0.0000 | |
| 136 | E | B | -1.1864 | |
| 137 | V | B | 0.0000 | |
| 138 | T | B | 0.1384 | |
| 139 | C | B | 0.0000 | |
| 140 | V | B | 0.0000 | |
| 141 | V | B | 0.0000 | |
| 142 | V | B | -0.8106 | |
| 143 | D | B | -1.4499 | |
| 144 | V | B | 0.0000 | |
| 145 | S | B | -2.2513 | |
| 146 | H | B | -2.6279 | |
| 147 | E | B | -2.9573 | |
| 148 | D | B | -2.5802 | |
| 149 | P | B | -2.7332 | |
| 150 | E | B | -3.1273 | |
| 151 | V | B | -2.0445 | |
| 152 | K | B | -2.2384 | |
| 153 | F | B | -1.2697 | |
| 154 | N | B | -1.1731 | |
| 155 | W | B | 0.0000 | |
| 156 | Y | B | -0.5377 | |
| 157 | V | B | -0.7399 | |
| 158 | D | B | -1.8333 | |
| 159 | G | B | -0.7362 | |
| 160 | V | B | 0.6677 | |
| 161 | E | B | -0.6200 | |
| 162 | V | B | -0.5103 | |
| 163 | H | B | -1.8802 | |
| 164 | N | B | -2.1806 | |
| 165 | A | B | -1.9026 | |
| 166 | K | B | -2.4366 | |
| 167 | T | B | -1.9709 | |
| 168 | K | B | -2.2814 | |
| 169 | P | B | -2.3456 | |
| 170 | R | B | -3.5140 | |
| 171 | E | B | -3.5597 | |
| 172 | E | B | -3.3983 | |
| 173 | Q | B | -1.9191 | |
| 174 | Y | B | 0.1603 | |
| 175 | N | B | -0.8793 | |
| 176 | S | B | -1.1203 | |
| 177 | T | B | -2.0326 | |
| 178 | Y | B | 0.0000 | |
| 179 | R | B | -2.3673 | |
| 180 | V | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | V | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | T | B | -0.6942 | |
| 186 | V | B | 0.0000 | |
| 187 | L | B | 0.6833 | |
| 188 | H | B | -0.1747 | |
| 189 | Q | B | -1.1309 | |
| 190 | D | B | -1.2655 | |
| 191 | W | B | 0.0000 | |
| 192 | L | B | -1.0020 | |
| 193 | N | B | -2.0854 | |
| 194 | G | B | -2.0453 | |
| 195 | K | B | -2.2379 | |
| 196 | E | B | -1.9408 | |
| 197 | Y | B | 0.0000 | |
| 198 | K | B | -1.5470 | |
| 199 | C | B | 0.0000 | |
| 200 | K | B | -1.7155 | |
| 201 | V | B | 0.0000 | |
| 202 | S | B | -1.5536 | |
| 203 | N | B | 0.0000 | |
| 204 | K | B | -2.5729 | |
| 205 | A | B | -1.2953 | |
| 206 | L | B | 0.0000 | |
| 207 | P | B | -0.6964 | |
| 208 | A | B | -0.5903 | |
| 209 | P | B | -1.0424 | |
| 210 | I | B | -0.8967 | |
| 211 | E | B | -2.2338 | |
| 212 | K | B | -1.2981 | |
| 213 | T | B | -0.9619 | |
| 214 | I | B | -0.1862 | |
| 215 | S | B | -1.0965 | |
| 216 | K | B | -1.3246 | |
| 217 | A | B | -1.2023 | |
| 218 | K | B | -2.3635 | |
| 219 | G | B | -2.0062 | |
| 220 | Q | B | -2.1982 | |
| 221 | P | B | -1.8829 | |
| 222 | R | B | -2.2967 | |
| 223 | E | B | -2.7411 | |
| 224 | P | B | 0.0000 | |
| 225 | Q | B | -1.1683 | |
| 226 | V | B | 0.0000 | |
| 227 | Y | B | 0.0000 | |
| 228 | T | B | -0.7441 | |
| 229 | L | B | 0.0000 | |
| 230 | P | B | -0.3775 | |
| 231 | P | B | -0.8645 | |
| 232 | S | B | 0.0000 | |
| 233 | R | B | -2.6791 | |
| 234 | D | B | -2.8241 | |
| 235 | E | B | 0.0000 | |
| 236 | L | B | -1.8072 | |
| 237 | T | B | -1.5797 | |
| 238 | K | B | -2.1625 | |
| 239 | N | B | -2.4577 | |
| 240 | Q | B | -2.2254 | |
| 241 | V | B | 0.0000 | |
| 242 | S | B | 0.0000 | |
| 243 | L | B | 0.0000 | |
| 244 | T | B | 0.0000 | |
| 245 | C | B | 0.0000 | |
| 246 | L | B | 0.0000 | |
| 247 | V | B | 0.0000 | |
| 248 | K | B | -0.5238 | |
| 249 | G | B | -1.0240 | |
| 250 | F | B | 0.0000 | |
| 251 | Y | B | -1.1126 | |
| 252 | P | B | 0.0000 | |
| 253 | S | B | -0.1637 | |
| 254 | D | B | -1.0905 | |
| 255 | I | B | -0.6091 | |
| 256 | A | B | 0.0000 | |
| 257 | V | B | 0.0000 | |
| 258 | E | B | -1.2695 | |
| 259 | W | B | 0.0000 | |
| 260 | E | B | -1.6610 | |
| 261 | S | B | -1.2153 | |
| 262 | N | B | -1.8091 | |
| 263 | G | B | -1.7132 | |
| 264 | Q | B | -2.2868 | |
| 265 | P | B | -1.9601 | |
| 266 | E | B | -1.8588 | |
| 267 | N | B | -2.1241 | |
| 268 | N | B | -1.5252 | |
| 269 | Y | B | -1.0551 | |
| 270 | K | B | -1.0191 | |
| 271 | T | B | -0.4064 | |
| 272 | T | B | 0.0000 | |
| 273 | P | B | -0.1762 | |
| 274 | P | B | 0.2037 | |
| 275 | V | B | 0.6891 | |
| 276 | L | B | 1.0789 | |
| 277 | D | B | -0.3890 | |
| 278 | S | B | -1.1197 | |
| 279 | D | B | -1.8557 | |
| 280 | G | B | -0.8207 | |
| 281 | S | B | 0.0000 | |
| 282 | F | B | 0.2356 | |
| 283 | F | B | 0.0000 | |
| 284 | L | B | 0.0000 | |
| 285 | Y | B | 0.0000 | |
| 286 | S | B | 0.0000 | |
| 287 | K | B | 0.0000 | |
| 288 | L | B | 0.0000 | |
| 289 | T | B | -0.9146 | |
| 290 | V | B | 0.0000 | |
| 291 | D | B | -2.5863 | |
| 292 | K | B | -2.6044 | |
| 293 | S | B | -2.2888 | |
| 294 | R | B | -2.0694 | |
| 295 | W | B | 0.0000 | |
| 296 | Q | B | -2.4087 | |
| 297 | Q | B | -2.1383 | |
| 298 | G | B | -1.1715 | |
| 299 | N | B | -0.8502 | |
| 300 | V | B | 0.6412 | |
| 301 | F | B | 0.0000 | |
| 302 | S | B | -0.6329 | |
| 303 | C | B | 0.0000 | |
| 304 | S | B | 0.0000 | |
| 305 | V | B | 0.0000 | |
| 306 | M | B | 0.0000 | |
| 307 | H | B | 0.0000 | |
| 308 | E | B | -1.1104 | |
| 309 | A | B | -1.5460 | |
| 310 | L | B | -1.5024 | |
| 311 | H | B | -1.7856 | |
| 312 | N | B | -1.6932 | |
| 313 | H | B | -1.2056 | |
| 314 | Y | B | -0.3820 | |
| 315 | T | B | -0.6432 | |
| 316 | Q | B | -0.9800 | |
| 317 | K | B | -0.9324 | |
| 318 | S | B | -0.3122 | |
| 319 | L | B | 0.0000 | |
| 320 | S | B | 0.0039 | |
| 321 | L | B | -0.2914 | |
| 322 | S | B | -0.6566 | |
| 323 | P | B | -1.2699 | |
| 324 | G | B | -2.0467 | |
| 325 | K | B | -2.4891 |
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 | -0.8114 | 4.5676 | View | CSV | PDB |
| 4.5 | -0.8735 | 4.5676 | View | CSV | PDB |
| 5.0 | -0.948 | 4.5676 | View | CSV | PDB |
| 5.5 | -1.0197 | 4.5676 | View | CSV | PDB |
| 6.0 | -1.0727 | 4.5676 | View | CSV | PDB |
| 6.5 | -1.0953 | 4.5676 | View | CSV | PDB |
| 7.0 | -1.0877 | 4.5676 | View | CSV | PDB |
| 7.5 | -1.0611 | 4.5676 | View | CSV | PDB |
| 8.0 | -1.0253 | 4.5676 | View | CSV | PDB |
| 8.5 | -0.9829 | 4.5676 | View | CSV | PDB |
| 9.0 | -0.9338 | 4.5676 | 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