| Chain sequence(s) |
A: QTIEENIKIFEEEEVEFISVPVPEFADSDPANIVHDFNKKLTAYLDLNLDKCYVIPLNTSIVMPPRNLLELLINIKAGTYLPQSYLIHEHMVITDRIENIDHLGFFIYRLCHDKETYKGGGGSGGGGSGGGGSSSSHPIFHRGEFSVCDSVSVWVGDKTTATDIKGKEVMVLGEVNINNSVFKQYFFETKCRDPNPVDSGCRGIDSKHWNSYCTTTHTFVKALTMDGKQAAWRFIRIDTACVCVLSRKAVRRA
B: QTIEENIKIFEEEEVEFISVPVPEFADSDPANIVHDFNKKLTAYLDLNLDKCYVIPLNTSIVMPPRNLLELLINIKAGTYLPQSYLIHEHMVITDRIENIDHLGFFIYRLCHDKETYKGGGGSGGGGSGGGGSSSSHPIFHRGEFSVCDSVSVWVGDKTTATDIKGKEVMVLGEVNINNSVFKQYFFETKCRDPNPVDSGCRGIDSKHWNSYCTTTHTFVKALTMDGKQAAWRFIRIDTACVCVLSRKAVRRA 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3c29a28fc57531f/tmp/folded.pdb (00:07:37)
[INFO] Main: Simulation completed successfully. (00:10:07)
|
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 | Q | A | -1.2174 | |
| 2 | T | A | -1.5401 | |
| 3 | I | A | -1.2138 | |
| 4 | E | A | -2.4262 | |
| 5 | E | A | -1.9747 | |
| 6 | N | A | -2.0028 | |
| 7 | I | A | -0.9012 | |
| 8 | K | A | -1.5342 | |
| 9 | I | A | -0.9788 | |
| 10 | F | A | -1.0986 | |
| 11 | E | A | -2.2939 | |
| 12 | E | A | -3.0388 | |
| 13 | E | A | -3.0810 | |
| 14 | E | A | -3.0290 | |
| 15 | V | A | 0.0000 | |
| 16 | E | A | 0.0000 | |
| 17 | F | A | -0.0751 | |
| 18 | I | A | 0.0000 | |
| 19 | S | A | -0.8627 | |
| 20 | V | A | 0.0000 | |
| 21 | P | A | -0.5871 | |
| 22 | V | A | -0.1941 | |
| 23 | P | A | -0.7463 | |
| 24 | E | A | -1.1618 | |
| 25 | F | A | 0.5097 | |
| 26 | A | A | -0.4515 | |
| 27 | D | A | -1.9920 | |
| 28 | S | A | -1.3646 | |
| 29 | D | A | -1.0835 | |
| 30 | P | A | -0.4244 | |
| 31 | A | A | 0.0000 | |
| 32 | N | A | -0.1360 | |
| 33 | I | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | D | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | N | A | -2.9087 | |
| 39 | K | A | -3.0018 | |
| 40 | K | A | -2.5945 | |
| 41 | L | A | -1.3531 | |
| 42 | T | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | Y | A | 0.2165 | |
| 45 | L | A | 0.0000 | |
| 46 | D | A | 0.0000 | |
| 47 | L | A | -0.3554 | |
| 48 | N | A | -1.3442 | |
| 49 | L | A | -1.1371 | |
| 50 | D | A | -2.2337 | |
| 51 | K | A | -1.8862 | |
| 52 | C | A | 0.0000 | |
| 53 | Y | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | P | A | -1.0420 | |
| 57 | L | A | 0.0000 | |
| 58 | N | A | -0.8122 | |
| 59 | T | A | -0.4814 | |
| 60 | S | A | -0.3038 | |
| 61 | I | A | -0.0090 | |
| 62 | V | A | 0.0000 | |
| 63 | M | A | 0.1647 | |
| 64 | P | A | -0.7870 | |
| 65 | P | A | -0.9918 | |
| 66 | R | A | -1.8843 | |
| 67 | N | A | -1.1861 | |
| 68 | L | A | 0.4396 | |
| 69 | L | A | 1.6430 | |
| 70 | E | A | 0.3678 | |
| 71 | L | A | 0.0000 | |
| 72 | L | A | 1.0564 | |
| 73 | I | A | 0.8881 | |
| 74 | N | A | 0.0000 | |
| 75 | I | A | 0.8087 | |
| 76 | K | A | -0.8742 | |
| 77 | A | A | -0.2485 | |
| 78 | G | A | -0.3674 | |
| 79 | T | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | L | A | 0.1815 | |
| 82 | P | A | -0.6237 | |
| 83 | Q | A | 0.2461 | |
| 84 | S | A | 0.2491 | |
| 85 | Y | A | 0.0000 | |
| 86 | L | A | 0.8124 | |
| 87 | I | A | 0.4373 | |
| 88 | H | A | -0.2667 | |
| 89 | E | A | -0.3855 | |
| 90 | H | A | -0.5962 | |
| 91 | M | A | 0.0000 | |
| 92 | V | A | -0.1249 | |
| 93 | I | A | 0.0000 | |
| 94 | T | A | -1.4578 | |
| 95 | D | A | -2.9498 | |
| 96 | R | A | -3.5638 | |
| 97 | I | A | -2.6800 | |
| 98 | E | A | -3.3900 | |
| 99 | N | A | -2.9124 | |
| 100 | I | A | -1.9034 | |
| 101 | D | A | -2.5257 | |
| 102 | H | A | -1.8464 | |
| 103 | L | A | 0.0000 | |
| 104 | G | A | -0.3816 | |
| 105 | F | A | 1.1304 | |
| 106 | F | A | 0.0000 | |
| 107 | I | A | 0.0000 | |
| 108 | Y | A | -0.7435 | |
| 109 | R | A | -1.5996 | |
| 110 | L | A | 0.0000 | |
| 111 | C | A | 0.0000 | |
| 112 | H | A | -2.4239 | |
| 113 | D | A | -3.0781 | |
| 114 | K | A | -2.6914 | |
| 115 | E | A | -3.2563 | |
| 116 | T | A | 0.0000 | |
| 117 | Y | A | 0.0000 | |
| 118 | K | A | -1.6221 | |
| 119 | G | A | 0.0000 | |
| 120 | G | A | -0.6684 | |
| 121 | G | A | -0.7658 | |
| 122 | G | A | -0.9032 | |
| 123 | S | A | -1.0136 | |
| 124 | G | A | -1.2353 | |
| 125 | G | A | -1.2315 | |
| 126 | G | A | -1.1859 | |
| 127 | G | A | -1.1917 | |
| 128 | S | A | -1.0243 | |
| 129 | G | A | -1.1709 | |
| 130 | G | A | -1.2205 | |
| 131 | G | A | -1.1690 | |
| 132 | G | A | -1.1016 | |
| 133 | S | A | -0.8289 | |
| 134 | S | A | -0.6655 | |
| 135 | S | A | -0.6566 | |
| 136 | S | A | -0.5530 | |
| 137 | H | A | -0.5978 | |
| 138 | P | A | -0.6781 | |
| 139 | I | A | -0.3020 | |
| 140 | F | A | -0.6403 | |
| 141 | H | A | -1.5120 | |
| 142 | R | A | -2.2279 | |
| 143 | G | A | -1.9035 | |
| 144 | E | A | -1.9716 | |
| 145 | F | A | 0.0000 | |
| 146 | S | A | -0.2840 | |
| 147 | V | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | S | A | -0.7130 | |
| 151 | V | A | 0.0000 | |
| 152 | S | A | -0.1334 | |
| 153 | V | A | 0.4497 | |
| 154 | W | A | 0.3603 | |
| 155 | V | A | -0.0475 | |
| 156 | G | A | -1.2265 | |
| 157 | D | A | -2.2143 | |
| 158 | K | A | -1.0547 | |
| 159 | T | A | -0.5876 | |
| 160 | T | A | -0.5125 | |
| 161 | A | A | 0.0000 | |
| 162 | T | A | -1.9810 | |
| 163 | D | A | 0.0000 | |
| 164 | I | A | -1.5714 | |
| 165 | K | A | -2.8530 | |
| 166 | G | A | -2.7059 | |
| 167 | K | A | -3.1901 | |
| 168 | E | A | -2.8975 | |
| 169 | V | A | 0.0000 | |
| 170 | M | A | -0.1897 | |
| 171 | V | A | 0.0000 | |
| 172 | L | A | -0.6976 | |
| 173 | G | A | -1.7370 | |
| 174 | E | A | -2.0614 | |
| 175 | V | A | 0.0000 | |
| 176 | N | A | -1.7158 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -2.7042 | |
| 179 | N | A | -1.9619 | |
| 180 | S | A | -0.4828 | |
| 181 | V | A | 0.4435 | |
| 182 | F | A | 0.1561 | |
| 183 | K | A | -1.2460 | |
| 184 | Q | A | 0.0000 | |
| 185 | Y | A | -0.5105 | |
| 186 | F | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | E | A | 0.0000 | |
| 189 | T | A | -0.8280 | |
| 190 | K | A | -1.4305 | |
| 191 | C | A | -1.2659 | |
| 192 | R | A | -1.5249 | |
| 193 | D | A | -1.7256 | |
| 194 | P | A | -1.0584 | |
| 195 | N | A | -1.4104 | |
| 196 | P | A | -1.0374 | |
| 197 | V | A | -0.6437 | |
| 198 | D | A | -1.7136 | |
| 199 | S | A | -1.3976 | |
| 200 | G | A | 0.0000 | |
| 201 | C | A | 0.0000 | |
| 202 | R | A | -0.4254 | |
| 203 | G | A | -0.7883 | |
| 204 | I | A | 0.0000 | |
| 205 | D | A | -1.9074 | |
| 206 | S | A | -1.9462 | |
| 207 | K | A | -2.4802 | |
| 208 | H | A | -2.0637 | |
| 209 | W | A | -2.0299 | |
| 210 | N | A | -2.1267 | |
| 211 | S | A | 0.0000 | |
| 212 | Y | A | -0.1599 | |
| 213 | C | A | 0.0000 | |
| 214 | T | A | -0.3023 | |
| 215 | T | A | -0.7702 | |
| 216 | T | A | -0.6869 | |
| 217 | H | A | -1.1640 | |
| 218 | T | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | V | A | -0.4182 | |
| 221 | K | A | -0.5745 | |
| 222 | A | A | 0.0000 | |
| 223 | L | A | -0.1720 | |
| 224 | T | A | 0.0000 | |
| 225 | M | A | -1.1319 | |
| 226 | D | A | -2.4152 | |
| 227 | G | A | -2.0088 | |
| 228 | K | A | -2.7391 | |
| 229 | Q | A | -2.4122 | |
| 230 | A | A | -1.0330 | |
| 231 | A | A | -0.4811 | |
| 232 | W | A | 0.1444 | |
| 233 | R | A | -0.6083 | |
| 234 | F | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | R | A | -1.8724 | |
| 237 | I | A | 0.0000 | |
| 238 | D | A | -1.6230 | |
| 239 | T | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | C | A | 0.0000 | |
| 242 | V | A | 0.3084 | |
| 243 | C | A | 0.0000 | |
| 244 | V | A | -0.0267 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -1.8154 | |
| 247 | R | A | -2.1893 | |
| 248 | K | A | -2.0927 | |
| 249 | A | A | -1.0444 | |
| 250 | V | A | -0.2567 | |
| 251 | R | A | -1.9823 | |
| 252 | R | A | -2.1992 | |
| 253 | A | A | -1.1297 | |
| 1 | Q | B | -1.2817 | |
| 2 | T | B | -1.5043 | |
| 3 | I | B | -1.1785 | |
| 4 | E | B | -2.3712 | |
| 5 | E | B | -1.9236 | |
| 6 | N | B | -2.0602 | |
| 7 | I | B | -1.0368 | |
| 8 | K | B | -1.6868 | |
| 9 | I | B | -1.1146 | |
| 10 | F | B | -1.2951 | |
| 11 | E | B | -2.3582 | |
| 12 | E | B | -3.0509 | |
| 13 | E | B | -2.9822 | |
| 14 | E | B | -2.8374 | |
| 15 | V | B | 0.0000 | |
| 16 | E | B | 0.0000 | |
| 17 | F | B | -0.3625 | |
| 18 | I | B | 0.0000 | |
| 19 | S | B | -0.9270 | |
| 20 | V | B | 0.0000 | |
| 21 | P | B | -0.5223 | |
| 22 | V | B | 0.0928 | |
| 23 | P | B | -0.6809 | |
| 24 | E | B | -1.0899 | |
| 25 | F | B | 0.5489 | |
| 26 | A | B | -0.4051 | |
| 27 | D | B | -1.9709 | |
| 28 | S | B | -1.3557 | |
| 29 | D | B | -0.9674 | |
| 30 | P | B | -0.1830 | |
| 31 | A | B | 0.0000 | |
| 32 | N | B | -0.1682 | |
| 33 | I | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | D | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | N | B | -2.7684 | |
| 39 | K | B | -2.8145 | |
| 40 | K | B | -2.4877 | |
| 41 | L | B | -1.2961 | |
| 42 | T | B | 0.0000 | |
| 43 | A | B | 0.0000 | |
| 44 | Y | B | 0.1888 | |
| 45 | L | B | 0.0000 | |
| 46 | D | B | 0.0000 | |
| 47 | L | B | -0.3171 | |
| 48 | N | B | -1.3151 | |
| 49 | L | B | -1.0478 | |
| 50 | D | B | -2.1692 | |
| 51 | K | B | -1.7918 | |
| 52 | C | B | 0.0000 | |
| 53 | Y | B | 0.0000 | |
| 54 | V | B | 0.0000 | |
| 55 | I | B | 0.0000 | |
| 56 | P | B | -0.9265 | |
| 57 | L | B | 0.0000 | |
| 58 | N | B | -0.6162 | |
| 59 | T | B | -0.4291 | |
| 60 | S | B | -0.2653 | |
| 61 | I | B | 0.0000 | |
| 62 | V | B | 0.1855 | |
| 63 | M | B | -0.0505 | |
| 64 | P | B | -0.8821 | |
| 65 | P | B | 0.0000 | |
| 66 | R | B | -1.9184 | |
| 67 | N | B | -1.2205 | |
| 68 | L | B | 0.3026 | |
| 69 | L | B | 1.6502 | |
| 70 | E | B | 0.4908 | |
| 71 | L | B | 0.0000 | |
| 72 | L | B | 1.1402 | |
| 73 | I | B | 1.0696 | |
| 74 | N | B | 0.0000 | |
| 75 | I | B | 0.8353 | |
| 76 | K | B | -0.8190 | |
| 77 | A | B | -0.2210 | |
| 78 | G | B | -0.3464 | |
| 79 | T | B | 0.0000 | |
| 80 | Y | B | 0.0000 | |
| 81 | L | B | 0.1676 | |
| 82 | P | B | -0.5887 | |
| 83 | Q | B | 0.1234 | |
| 84 | S | B | 0.1175 | |
| 85 | Y | B | 0.4047 | |
| 86 | L | B | 0.4862 | |
| 87 | I | B | 0.0000 | |
| 88 | H | B | -0.5394 | |
| 89 | E | B | -0.5598 | |
| 90 | H | B | -0.6169 | |
| 91 | M | B | 0.0000 | |
| 92 | V | B | 0.1770 | |
| 93 | I | B | 0.0000 | |
| 94 | T | B | -1.3315 | |
| 95 | D | B | -2.9010 | |
| 96 | R | B | -3.5885 | |
| 97 | I | B | -2.6450 | |
| 98 | E | B | -3.3906 | |
| 99 | N | B | -2.9682 | |
| 100 | I | B | -1.9123 | |
| 101 | D | B | -2.5342 | |
| 102 | H | B | -1.8470 | |
| 103 | L | B | 0.0000 | |
| 104 | G | B | -0.3344 | |
| 105 | F | B | 1.1870 | |
| 106 | F | B | 0.0000 | |
| 107 | I | B | 0.0000 | |
| 108 | Y | B | -0.6966 | |
| 109 | R | B | -1.2676 | |
| 110 | L | B | 0.0000 | |
| 111 | C | B | 0.0000 | |
| 112 | H | B | -2.4281 | |
| 113 | D | B | -3.0439 | |
| 114 | K | B | -2.6139 | |
| 115 | E | B | -3.0715 | |
| 116 | T | B | 0.0000 | |
| 117 | Y | B | -1.9382 | |
| 118 | K | B | -1.3856 | |
| 119 | G | B | 0.0000 | |
| 120 | G | B | -0.5139 | |
| 121 | G | B | -0.6236 | |
| 122 | G | B | -0.7522 | |
| 123 | S | B | -1.0052 | |
| 124 | G | B | -1.2584 | |
| 125 | G | B | -1.2323 | |
| 126 | G | B | -1.1872 | |
| 127 | G | B | -1.1935 | |
| 128 | S | B | -1.0241 | |
| 129 | G | B | -1.1685 | |
| 130 | G | B | -1.2206 | |
| 131 | G | B | -1.1662 | |
| 132 | G | B | -1.1024 | |
| 133 | S | B | -0.8268 | |
| 134 | S | B | -0.6291 | |
| 135 | S | B | -0.6314 | |
| 136 | S | B | -0.4844 | |
| 137 | H | B | -0.5390 | |
| 138 | P | B | -0.6754 | |
| 139 | I | B | -0.2477 | |
| 140 | F | B | -0.6457 | |
| 141 | H | B | -1.5959 | |
| 142 | R | B | -2.5688 | |
| 143 | G | B | -2.0106 | |
| 144 | E | B | -1.8883 | |
| 145 | F | B | 0.0000 | |
| 146 | S | B | -0.2602 | |
| 147 | V | B | 0.0000 | |
| 148 | C | B | 0.0000 | |
| 149 | D | B | -1.0262 | |
| 150 | S | B | -0.7884 | |
| 151 | V | B | -0.4448 | |
| 152 | S | B | -0.0649 | |
| 153 | V | B | 0.3044 | |
| 154 | W | B | 0.0000 | |
| 155 | V | B | -0.1481 | |
| 156 | G | B | -1.3069 | |
| 157 | D | B | -2.2700 | |
| 158 | K | B | -1.0820 | |
| 159 | T | B | -0.5989 | |
| 160 | T | B | -0.5243 | |
| 161 | A | B | 0.0000 | |
| 162 | T | B | -1.8441 | |
| 163 | D | B | 0.0000 | |
| 164 | I | B | -1.4690 | |
| 165 | K | B | -2.8669 | |
| 166 | G | B | -2.7366 | |
| 167 | K | B | -3.2956 | |
| 168 | E | B | -2.9696 | |
| 169 | V | B | 0.0000 | |
| 170 | M | B | -0.2573 | |
| 171 | V | B | 0.0000 | |
| 172 | L | B | -0.7483 | |
| 173 | G | B | -1.8390 | |
| 174 | E | B | -2.2205 | |
| 175 | V | B | 0.0000 | |
| 176 | N | B | -1.8038 | |
| 177 | I | B | 0.0000 | |
| 178 | N | B | -2.5679 | |
| 179 | N | B | -1.9336 | |
| 180 | S | B | -0.5097 | |
| 181 | V | B | 0.2383 | |
| 182 | F | B | -0.1460 | |
| 183 | K | B | -1.5008 | |
| 184 | Q | B | -1.0944 | |
| 185 | Y | B | -0.6683 | |
| 186 | F | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | E | B | 0.0000 | |
| 189 | T | B | -0.6140 | |
| 190 | K | B | -1.2958 | |
| 191 | C | B | -1.2298 | |
| 192 | R | B | -1.5762 | |
| 193 | D | B | -1.8055 | |
| 194 | P | B | -1.2376 | |
| 195 | N | B | -1.7821 | |
| 196 | P | B | -1.2578 | |
| 197 | V | B | -0.8288 | |
| 198 | D | B | -1.8139 | |
| 199 | S | B | -1.4326 | |
| 200 | G | B | 0.0000 | |
| 201 | C | B | 0.0000 | |
| 202 | R | B | -0.5065 | |
| 203 | G | B | -0.8056 | |
| 204 | I | B | 0.0000 | |
| 205 | D | B | -1.9342 | |
| 206 | S | B | -2.1362 | |
| 207 | K | B | -2.5187 | |
| 208 | H | B | -2.1265 | |
| 209 | W | B | -1.9916 | |
| 210 | N | B | -2.1116 | |
| 211 | S | B | 0.0000 | |
| 212 | Y | B | -0.2598 | |
| 213 | C | B | 0.0000 | |
| 214 | T | B | -0.3614 | |
| 215 | T | B | -0.6484 | |
| 216 | T | B | -0.5388 | |
| 217 | H | B | -0.9402 | |
| 218 | T | B | 0.0000 | |
| 219 | F | B | 0.0000 | |
| 220 | V | B | -0.2846 | |
| 221 | K | B | -0.4050 | |
| 222 | A | B | 0.0000 | |
| 223 | L | B | -0.1347 | |
| 224 | T | B | 0.0000 | |
| 225 | M | B | -1.1992 | |
| 226 | D | B | -2.5940 | |
| 227 | G | B | -2.0967 | |
| 228 | K | B | -2.7834 | |
| 229 | Q | B | -2.4652 | |
| 230 | A | B | -1.0605 | |
| 231 | A | B | -0.4790 | |
| 232 | W | B | 0.2370 | |
| 233 | R | B | -0.5001 | |
| 234 | F | B | 0.0000 | |
| 235 | I | B | 0.0000 | |
| 236 | R | B | -1.2145 | |
| 237 | I | B | 0.0000 | |
| 238 | D | B | -0.9206 | |
| 239 | T | B | 0.0000 | |
| 240 | A | B | 0.0000 | |
| 241 | C | B | 0.0000 | |
| 242 | V | B | 0.2647 | |
| 243 | C | B | 0.0000 | |
| 244 | V | B | -0.0775 | |
| 245 | L | B | 0.0000 | |
| 246 | S | B | -1.6991 | |
| 247 | R | B | -1.9185 | |
| 248 | K | B | -2.0841 | |
| 249 | A | B | -1.0224 | |
| 250 | V | B | -0.2727 | |
| 251 | R | B | -2.0108 | |
| 252 | R | B | -2.1969 | |
| 253 | A | B | -1.1362 |
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 | -0.7038 | 3.9378 | View | CSV | PDB |
| 4.5 | -0.7711 | 3.7607 | View | CSV | PDB |
| 5.0 | -0.8542 | 3.4979 | View | CSV | PDB |
| 5.5 | -0.9359 | 3.1884 | View | CSV | PDB |
| 6.0 | -0.9998 | 2.8731 | View | CSV | PDB |
| 6.5 | -1.0359 | 2.7525 | View | CSV | PDB |
| 7.0 | -1.0458 | 2.7141 | View | CSV | PDB |
| 7.5 | -1.039 | 2.6548 | View | CSV | PDB |
| 8.0 | -1.023 | 2.5844 | View | CSV | PDB |
| 8.5 | -0.9999 | 2.513 | View | CSV | PDB |
| 9.0 | -0.9682 | 2.4498 | 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