| Chain sequence(s) |
A: MDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKGGGGGIEGPTLRQWLAARAGGGGGGGGIEGPTLRQWLAARA
B: MDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKGGGGGIEGPTLRQWLAARAGGGGGGGGIEGPTLRQWLAARA 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 partially or entirely disordered. Average 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 (00:06:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/38dffbceaf06da7/tmp/folded.pdb (00:06:51)
[INFO] Main: Simulation completed successfully. (00:09:17)
|
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 | -0.2941 | |
| 2 | D | A | -2.2575 | |
| 3 | K | A | -2.6188 | |
| 4 | T | A | -1.7037 | |
| 5 | H | A | -1.6223 | |
| 6 | T | A | -0.5803 | |
| 7 | C | A | 0.3224 | |
| 8 | P | A | -0.0394 | |
| 9 | P | A | 0.1055 | |
| 10 | C | A | 0.5048 | |
| 11 | P | A | -0.3696 | |
| 12 | A | A | -0.3586 | |
| 13 | P | A | -0.3871 | |
| 14 | E | A | -0.7865 | |
| 15 | L | A | 1.2379 | |
| 16 | L | A | 1.2747 | |
| 17 | G | A | 0.4456 | |
| 18 | G | A | 0.1499 | |
| 19 | P | A | 0.0000 | |
| 20 | S | A | -0.1916 | |
| 21 | V | A | 0.0000 | |
| 22 | F | A | 0.9042 | |
| 23 | L | A | 0.6708 | |
| 24 | F | A | 1.0345 | |
| 25 | P | A | -0.1769 | |
| 26 | P | A | 0.0000 | |
| 27 | K | A | -2.1548 | |
| 28 | P | A | -1.5004 | |
| 29 | K | A | -1.4134 | |
| 30 | D | A | -1.4520 | |
| 31 | T | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | M | A | 0.1584 | |
| 34 | I | A | 1.2391 | |
| 35 | S | A | 0.0020 | |
| 36 | R | A | -1.3022 | |
| 37 | T | A | -0.8086 | |
| 38 | P | A | 0.0000 | |
| 39 | E | A | -1.1714 | |
| 40 | V | A | 0.0000 | |
| 41 | T | A | 0.1559 | |
| 42 | C | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | V | A | 0.0000 | |
| 46 | D | A | -1.4022 | |
| 47 | V | A | 0.0000 | |
| 48 | S | A | -1.8940 | |
| 49 | H | A | -2.6008 | |
| 50 | E | A | -2.9587 | |
| 51 | D | A | -2.5690 | |
| 52 | P | A | -2.7409 | |
| 53 | E | A | -3.1038 | |
| 54 | V | A | -2.0199 | |
| 55 | K | A | -2.2382 | |
| 56 | F | A | -1.1955 | |
| 57 | N | A | -1.1922 | |
| 58 | W | A | 0.0000 | |
| 59 | Y | A | -0.6432 | |
| 60 | V | A | -0.8394 | |
| 61 | D | A | -2.1038 | |
| 62 | G | A | -0.8807 | |
| 63 | V | A | 0.5747 | |
| 64 | E | A | -0.7000 | |
| 65 | V | A | -0.5610 | |
| 66 | H | A | -1.8934 | |
| 67 | N | A | -2.1870 | |
| 68 | A | A | -1.8836 | |
| 69 | K | A | -2.3683 | |
| 70 | T | A | -1.7882 | |
| 71 | K | A | -2.0834 | |
| 72 | P | A | -2.2765 | |
| 73 | R | A | -3.5130 | |
| 74 | E | A | -3.6922 | |
| 75 | E | A | -3.4181 | |
| 76 | Q | A | -1.6421 | |
| 77 | Y | A | 0.2650 | |
| 78 | N | A | -0.5964 | |
| 79 | S | A | -1.0145 | |
| 80 | T | A | -1.9716 | |
| 81 | Y | A | 0.0000 | |
| 82 | R | A | -2.7262 | |
| 83 | V | A | 0.0000 | |
| 84 | V | A | -0.9701 | |
| 85 | S | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | T | A | -0.6423 | |
| 89 | V | A | 0.0000 | |
| 90 | L | A | 0.9218 | |
| 91 | H | A | -0.0840 | |
| 92 | Q | A | -1.0661 | |
| 93 | D | A | -1.2435 | |
| 94 | W | A | 0.0000 | |
| 95 | L | A | -0.9242 | |
| 96 | N | A | -2.0001 | |
| 97 | G | A | -1.9887 | |
| 98 | K | A | -2.0080 | |
| 99 | E | A | -1.9438 | |
| 100 | Y | A | 0.0000 | |
| 101 | K | A | -1.6810 | |
| 102 | C | A | 0.0000 | |
| 103 | K | A | -1.6245 | |
| 104 | V | A | 0.0000 | |
| 105 | S | A | -1.4666 | |
| 106 | N | A | 0.0000 | |
| 107 | K | A | -2.5379 | |
| 108 | A | A | -1.2197 | |
| 109 | L | A | -0.5939 | |
| 110 | P | A | -0.5195 | |
| 111 | A | A | -0.4167 | |
| 112 | P | A | -0.8787 | |
| 113 | I | A | -0.6688 | |
| 114 | E | A | -2.1798 | |
| 115 | K | A | -1.4232 | |
| 116 | T | A | -1.0912 | |
| 117 | I | A | -0.1532 | |
| 118 | S | A | -1.0020 | |
| 119 | K | A | 0.0000 | |
| 120 | A | A | -1.0757 | |
| 121 | K | A | -2.3106 | |
| 122 | G | A | -1.9995 | |
| 123 | Q | A | -2.2186 | |
| 124 | P | A | -1.9286 | |
| 125 | R | A | -2.3931 | |
| 126 | E | A | -2.7477 | |
| 127 | P | A | 0.0000 | |
| 128 | Q | A | -1.2343 | |
| 129 | V | A | 0.0000 | |
| 130 | Y | A | 0.0000 | |
| 131 | T | A | -0.7747 | |
| 132 | L | A | 0.0000 | |
| 133 | P | A | -0.3910 | |
| 134 | P | A | -0.8848 | |
| 135 | S | A | -1.5324 | |
| 136 | R | A | -2.6819 | |
| 137 | D | A | -2.8159 | |
| 138 | E | A | 0.0000 | |
| 139 | L | A | -1.8619 | |
| 140 | T | A | -1.5936 | |
| 141 | K | A | -2.1292 | |
| 142 | N | A | -2.3736 | |
| 143 | Q | A | -2.1182 | |
| 144 | V | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | K | A | -0.5622 | |
| 152 | G | A | -1.0944 | |
| 153 | F | A | 0.0000 | |
| 154 | Y | A | -1.2268 | |
| 155 | P | A | 0.0000 | |
| 156 | S | A | -0.2447 | |
| 157 | D | A | -1.0716 | |
| 158 | I | A | 0.0000 | |
| 159 | A | A | -0.6701 | |
| 160 | V | A | 0.0000 | |
| 161 | E | A | -1.1098 | |
| 162 | W | A | 0.0000 | |
| 163 | E | A | -1.8119 | |
| 164 | S | A | 0.0000 | |
| 165 | N | A | -1.9136 | |
| 166 | G | A | -1.7929 | |
| 167 | Q | A | -2.3003 | |
| 168 | P | A | -1.9624 | |
| 169 | E | A | -1.8610 | |
| 170 | N | A | -2.1304 | |
| 171 | N | A | -1.5378 | |
| 172 | Y | A | -1.1092 | |
| 173 | K | A | -0.9469 | |
| 174 | T | A | -0.3296 | |
| 175 | T | A | 0.0000 | |
| 176 | P | A | -0.2307 | |
| 177 | P | A | -0.0003 | |
| 178 | V | A | 0.0000 | |
| 179 | L | A | 0.5184 | |
| 180 | D | A | -0.6471 | |
| 181 | S | A | -1.2069 | |
| 182 | D | A | -1.9460 | |
| 183 | G | A | -0.9964 | |
| 184 | S | A | 0.0000 | |
| 185 | F | A | -0.0238 | |
| 186 | F | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | Y | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | K | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | -0.8645 | |
| 193 | V | A | 0.0000 | |
| 194 | D | A | -2.2086 | |
| 195 | K | A | -2.4306 | |
| 196 | S | A | -2.1547 | |
| 197 | R | A | -2.0593 | |
| 198 | W | A | 0.0000 | |
| 199 | Q | A | -2.3496 | |
| 200 | Q | A | -2.2064 | |
| 201 | G | A | -1.3322 | |
| 202 | N | A | -0.9958 | |
| 203 | V | A | -0.0505 | |
| 204 | F | A | 0.0000 | |
| 205 | S | A | 0.0000 | |
| 206 | C | A | 0.0000 | |
| 207 | S | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | M | A | 0.0000 | |
| 210 | H | A | 0.0000 | |
| 211 | E | A | -1.1289 | |
| 212 | A | A | -1.5843 | |
| 213 | L | A | -1.4123 | |
| 214 | H | A | -1.7190 | |
| 215 | N | A | -1.4186 | |
| 216 | H | A | -0.9108 | |
| 217 | Y | A | -0.3164 | |
| 218 | T | A | -0.6143 | |
| 219 | Q | A | -0.9908 | |
| 220 | K | A | -0.9833 | |
| 221 | S | A | -0.5192 | |
| 222 | L | A | 0.0000 | |
| 223 | S | A | -0.2560 | |
| 224 | L | A | -0.4373 | |
| 225 | S | A | -0.6307 | |
| 226 | P | A | -1.0426 | |
| 227 | G | A | -1.7214 | |
| 228 | K | A | -2.8896 | |
| 229 | G | A | -2.2902 | |
| 230 | G | A | -1.9001 | |
| 231 | G | A | -1.2587 | |
| 232 | G | A | -0.8131 | |
| 233 | G | A | -0.8409 | |
| 234 | I | A | 0.6007 | |
| 235 | E | A | -1.3621 | |
| 236 | G | A | -0.8848 | |
| 237 | P | A | -0.8600 | |
| 238 | T | A | -1.1552 | |
| 239 | L | A | -0.0113 | |
| 240 | R | A | -1.8193 | |
| 241 | Q | A | -1.6604 | |
| 242 | W | A | 0.0000 | |
| 243 | L | A | -0.1306 | |
| 244 | A | A | -0.8703 | |
| 245 | A | A | -1.1606 | |
| 246 | R | A | -2.0145 | |
| 247 | A | A | -0.9397 | |
| 248 | G | A | -1.1642 | |
| 249 | G | A | -1.6441 | |
| 250 | G | A | -1.4896 | |
| 251 | G | A | -1.3013 | |
| 252 | G | A | -1.1283 | |
| 253 | G | A | -1.0044 | |
| 254 | G | A | -0.7813 | |
| 255 | G | A | -0.5495 | |
| 256 | I | A | 0.5551 | |
| 257 | E | A | -1.3645 | |
| 258 | G | A | -0.9061 | |
| 259 | P | A | -0.7694 | |
| 260 | T | A | -0.8836 | |
| 261 | L | A | 0.1886 | |
| 262 | R | A | -1.6477 | |
| 263 | Q | A | -1.5187 | |
| 264 | W | A | 0.0000 | |
| 265 | L | A | 0.1198 | |
| 266 | A | A | -0.5293 | |
| 267 | A | A | -0.7090 | |
| 268 | R | A | -1.4655 | |
| 269 | A | A | -0.2692 | |
| 1 | M | B | -0.2857 | |
| 2 | D | B | -2.2534 | |
| 3 | K | B | -2.6174 | |
| 4 | T | B | -1.6994 | |
| 5 | H | B | -1.6174 | |
| 6 | T | B | -0.5755 | |
| 7 | C | B | 0.3225 | |
| 8 | P | B | -0.0397 | |
| 9 | P | B | 0.1048 | |
| 10 | C | B | 0.5025 | |
| 11 | P | B | -0.3677 | |
| 12 | A | B | -0.3580 | |
| 13 | P | B | -0.3884 | |
| 14 | E | B | -0.7919 | |
| 15 | L | B | 1.2384 | |
| 16 | L | B | 1.2868 | |
| 17 | G | B | 0.4686 | |
| 18 | G | B | 0.1955 | |
| 19 | P | B | 0.0000 | |
| 20 | S | B | -0.0306 | |
| 21 | V | B | 0.0000 | |
| 22 | F | B | 1.3965 | |
| 23 | L | B | 0.9304 | |
| 24 | F | B | 1.1269 | |
| 25 | P | B | -0.2146 | |
| 26 | P | B | 0.0000 | |
| 27 | K | B | -2.1150 | |
| 28 | P | B | -1.4268 | |
| 29 | K | B | -1.2218 | |
| 30 | D | B | -1.2469 | |
| 31 | T | B | 0.0000 | |
| 32 | L | B | 0.0000 | |
| 33 | M | B | 0.3521 | |
| 34 | I | B | 1.3862 | |
| 35 | S | B | 0.1888 | |
| 36 | R | B | -0.9152 | |
| 37 | T | B | -0.6131 | |
| 38 | P | B | 0.0000 | |
| 39 | E | B | -1.0858 | |
| 40 | V | B | 0.0000 | |
| 41 | T | B | 0.2971 | |
| 42 | C | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | V | B | 0.0000 | |
| 45 | V | B | -0.6764 | |
| 46 | D | B | -1.2106 | |
| 47 | V | B | 0.0000 | |
| 48 | S | B | -1.8001 | |
| 49 | H | B | -2.5532 | |
| 50 | E | B | -2.9812 | |
| 51 | D | B | -2.6005 | |
| 52 | P | B | -2.6919 | |
| 53 | E | B | -3.0903 | |
| 54 | V | B | -2.0374 | |
| 55 | K | B | -2.2458 | |
| 56 | F | B | -1.1174 | |
| 57 | N | B | -1.1306 | |
| 58 | W | B | 0.0000 | |
| 59 | Y | B | -0.6671 | |
| 60 | V | B | -0.8858 | |
| 61 | D | B | -2.1148 | |
| 62 | G | B | -0.8945 | |
| 63 | V | B | 0.5520 | |
| 64 | E | B | -0.7401 | |
| 65 | V | B | -0.5781 | |
| 66 | H | B | -1.9003 | |
| 67 | N | B | -2.1690 | |
| 68 | A | B | -1.8965 | |
| 69 | K | B | -2.4713 | |
| 70 | T | B | -2.0418 | |
| 71 | K | B | -2.7008 | |
| 72 | P | B | -2.5335 | |
| 73 | R | B | -3.5162 | |
| 74 | E | B | -3.7148 | |
| 75 | E | B | -3.3013 | |
| 76 | Q | B | -1.5180 | |
| 77 | Y | B | 0.3042 | |
| 78 | N | B | -0.5432 | |
| 79 | S | B | -0.9429 | |
| 80 | T | B | -1.7896 | |
| 81 | Y | B | -2.4748 | |
| 82 | R | B | -2.5682 | |
| 83 | V | B | 0.0000 | |
| 84 | V | B | -0.9814 | |
| 85 | S | B | 0.0000 | |
| 86 | V | B | -0.8687 | |
| 87 | L | B | 0.0000 | |
| 88 | T | B | -0.5945 | |
| 89 | V | B | 0.0000 | |
| 90 | L | B | 0.9350 | |
| 91 | H | B | -0.0195 | |
| 92 | Q | B | -1.0515 | |
| 93 | D | B | -1.2310 | |
| 94 | W | B | 0.0000 | |
| 95 | L | B | -0.9463 | |
| 96 | N | B | -2.0168 | |
| 97 | G | B | -2.0385 | |
| 98 | K | B | -2.0349 | |
| 99 | E | B | -1.9939 | |
| 100 | Y | B | 0.0000 | |
| 101 | K | B | -1.6204 | |
| 102 | C | B | 0.0000 | |
| 103 | K | B | -1.4495 | |
| 104 | V | B | 0.0000 | |
| 105 | S | B | -1.4328 | |
| 106 | N | B | 0.0000 | |
| 107 | K | B | -2.5609 | |
| 108 | A | B | -1.2449 | |
| 109 | L | B | -0.6124 | |
| 110 | P | B | -0.5268 | |
| 111 | A | B | -0.3885 | |
| 112 | P | B | -0.8079 | |
| 113 | I | B | -0.4717 | |
| 114 | E | B | -1.7222 | |
| 115 | K | B | -1.1885 | |
| 116 | T | B | -0.9843 | |
| 117 | I | B | -0.2433 | |
| 118 | S | B | -1.0982 | |
| 119 | K | B | -1.2275 | |
| 120 | A | B | -1.1589 | |
| 121 | K | B | -2.3538 | |
| 122 | G | B | -2.0061 | |
| 123 | Q | B | -2.1939 | |
| 124 | P | B | -1.8763 | |
| 125 | R | B | -2.2746 | |
| 126 | E | B | -2.6842 | |
| 127 | P | B | 0.0000 | |
| 128 | Q | B | -1.2025 | |
| 129 | V | B | 0.0000 | |
| 130 | Y | B | 0.0000 | |
| 131 | T | B | -0.7712 | |
| 132 | L | B | 0.0000 | |
| 133 | P | B | -0.3512 | |
| 134 | P | B | 0.0000 | |
| 135 | S | B | 0.0000 | |
| 136 | R | B | -2.6213 | |
| 137 | D | B | -2.7649 | |
| 138 | E | B | 0.0000 | |
| 139 | L | B | -1.7286 | |
| 140 | T | B | -1.5179 | |
| 141 | K | B | -2.0538 | |
| 142 | N | B | -2.3427 | |
| 143 | Q | B | -2.1127 | |
| 144 | V | B | 0.0000 | |
| 145 | S | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | T | B | 0.0000 | |
| 148 | C | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | V | B | 0.0000 | |
| 151 | K | B | -0.4839 | |
| 152 | G | B | -1.0153 | |
| 153 | F | B | 0.0000 | |
| 154 | Y | B | -1.1262 | |
| 155 | P | B | 0.0000 | |
| 156 | S | B | -0.1651 | |
| 157 | D | B | -1.0627 | |
| 158 | I | B | 0.0000 | |
| 159 | A | B | -0.5998 | |
| 160 | V | B | 0.0000 | |
| 161 | E | B | -0.9400 | |
| 162 | W | B | 0.0000 | |
| 163 | E | B | -1.6598 | |
| 164 | S | B | 0.0000 | |
| 165 | N | B | -1.8458 | |
| 166 | G | B | -1.6970 | |
| 167 | Q | B | -2.1005 | |
| 168 | P | B | -1.7698 | |
| 169 | E | B | 0.0000 | |
| 170 | N | B | -1.9321 | |
| 171 | N | B | -1.3605 | |
| 172 | Y | B | -0.8806 | |
| 173 | K | B | -0.8702 | |
| 174 | T | B | -0.3245 | |
| 175 | T | B | 0.0000 | |
| 176 | P | B | -0.1942 | |
| 177 | P | B | 0.1671 | |
| 178 | V | B | 0.6069 | |
| 179 | L | B | 0.9729 | |
| 180 | D | B | -0.4420 | |
| 181 | S | B | -1.1200 | |
| 182 | D | B | -1.8520 | |
| 183 | G | B | -0.8014 | |
| 184 | S | B | 0.0000 | |
| 185 | F | B | 0.2187 | |
| 186 | F | B | 0.0000 | |
| 187 | L | B | 0.0000 | |
| 188 | Y | B | 0.0000 | |
| 189 | S | B | 0.0000 | |
| 190 | K | B | 0.0000 | |
| 191 | L | B | 0.0000 | |
| 192 | T | B | -0.7871 | |
| 193 | V | B | 0.0000 | |
| 194 | D | B | -2.2070 | |
| 195 | K | B | -2.4029 | |
| 196 | S | B | -2.1494 | |
| 197 | R | B | -2.0838 | |
| 198 | W | B | 0.0000 | |
| 199 | Q | B | -2.3604 | |
| 200 | Q | B | -2.2249 | |
| 201 | G | B | -1.3734 | |
| 202 | N | B | -1.0148 | |
| 203 | V | B | -0.0752 | |
| 204 | F | B | 0.0000 | |
| 205 | S | B | -0.8952 | |
| 206 | C | B | 0.0000 | |
| 207 | S | B | 0.0000 | |
| 208 | V | B | 0.0000 | |
| 209 | M | B | 0.0000 | |
| 210 | H | B | 0.0000 | |
| 211 | E | B | -1.0594 | |
| 212 | A | B | -1.5283 | |
| 213 | L | B | -1.3674 | |
| 214 | H | B | -1.6983 | |
| 215 | N | B | -1.3928 | |
| 216 | H | B | -0.8568 | |
| 217 | Y | B | -0.2472 | |
| 218 | T | B | -0.5773 | |
| 219 | Q | B | -0.9514 | |
| 220 | K | B | -0.9850 | |
| 221 | S | B | -0.5258 | |
| 222 | L | B | 0.0000 | |
| 223 | S | B | -0.3033 | |
| 224 | L | B | -0.5301 | |
| 225 | S | B | -0.6763 | |
| 226 | P | B | -1.2089 | |
| 227 | G | B | -1.7340 | |
| 228 | K | B | -2.8741 | |
| 229 | G | B | -2.2797 | |
| 230 | G | B | -1.9256 | |
| 231 | G | B | -1.2443 | |
| 232 | G | B | -0.8133 | |
| 233 | G | B | -0.8367 | |
| 234 | I | B | 0.6091 | |
| 235 | E | B | -1.3434 | |
| 236 | G | B | -0.7919 | |
| 237 | P | B | -0.7187 | |
| 238 | T | B | -0.8992 | |
| 239 | L | B | 0.1357 | |
| 240 | R | B | -1.5792 | |
| 241 | Q | B | -1.2723 | |
| 242 | W | B | 0.0000 | |
| 243 | L | B | 0.2537 | |
| 244 | A | B | -0.5296 | |
| 245 | A | B | -0.7059 | |
| 246 | R | B | -1.2542 | |
| 247 | A | B | -0.5653 | |
| 248 | G | B | -0.9438 | |
| 249 | G | B | -1.4241 | |
| 250 | G | B | -1.3690 | |
| 251 | G | B | -1.3013 | |
| 252 | G | B | -1.1324 | |
| 253 | G | B | -1.0090 | |
| 254 | G | B | -0.7824 | |
| 255 | G | B | -0.5359 | |
| 256 | I | B | 0.5814 | |
| 257 | E | B | -1.2521 | |
| 258 | G | B | -0.6899 | |
| 259 | P | B | -0.7087 | |
| 260 | T | B | -0.8137 | |
| 261 | L | B | 0.2701 | |
| 262 | R | B | -1.5912 | |
| 263 | Q | B | -1.4054 | |
| 264 | W | B | 0.0000 | |
| 265 | L | B | 0.1349 | |
| 266 | A | B | -0.5091 | |
| 267 | A | B | -0.7163 | |
| 268 | R | B | -1.5815 | |
| 269 | A | B | -0.4442 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5623 | 4.7379 | View | CSV | PDB |
| 4.5 | -0.625 | 4.7379 | View | CSV | PDB |
| 5.0 | -0.6985 | 4.7379 | View | CSV | PDB |
| 5.5 | -0.7673 | 4.7379 | View | CSV | PDB |
| 6.0 | -0.8158 | 4.7379 | View | CSV | PDB |
| 6.5 | -0.8336 | 4.7379 | View | CSV | PDB |
| 7.0 | -0.8226 | 4.7379 | View | CSV | PDB |
| 7.5 | -0.7943 | 4.7379 | View | CSV | PDB |
| 8.0 | -0.7574 | 4.7379 | View | CSV | PDB |
| 8.5 | -0.7145 | 4.7379 | View | CSV | PDB |
| 9.0 | -0.6654 | 4.7379 | 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