| 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 |
| Mutated residues | FE105A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.115979 kcal/mol |
| 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] FoldX: Building mutant model (00:02:52)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f4b4973023e0f20/tmp/folded.pdb (00:03:08)
[INFO] Main: Simulation completed successfully. (00:05:44)
|
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 | -1.2248 | |
| 2 | T | A | -1.5568 | |
| 3 | I | A | -1.2444 | |
| 4 | E | A | -2.4502 | |
| 5 | E | A | -2.0063 | |
| 6 | N | A | -2.0236 | |
| 7 | I | A | -0.9322 | |
| 8 | K | A | -1.5488 | |
| 9 | I | A | -1.0081 | |
| 10 | F | A | -1.1613 | |
| 11 | E | A | -2.3667 | |
| 12 | E | A | -3.1298 | |
| 13 | E | A | -3.2572 | |
| 14 | E | A | -3.0740 | |
| 15 | V | A | 0.0000 | |
| 16 | E | A | 0.0000 | |
| 17 | F | A | -0.0780 | |
| 18 | I | A | 0.0000 | |
| 19 | S | A | -0.8742 | |
| 20 | V | A | 0.0000 | |
| 21 | P | A | -0.5954 | |
| 22 | V | A | -0.1998 | |
| 23 | P | A | -0.7532 | |
| 24 | E | A | -1.1637 | |
| 25 | F | A | 0.5106 | |
| 26 | A | A | -0.4540 | |
| 27 | D | A | -1.9778 | |
| 28 | S | A | -1.3420 | |
| 29 | D | A | -1.0768 | |
| 30 | P | A | -0.4257 | |
| 31 | A | A | 0.0000 | |
| 32 | N | A | -0.1339 | |
| 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 | -2.8422 | |
| 39 | K | A | -2.8078 | |
| 40 | K | A | -2.5059 | |
| 41 | L | A | -1.2975 | |
| 42 | T | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | Y | A | 0.2224 | |
| 45 | L | A | 0.0000 | |
| 46 | D | A | 0.0000 | |
| 47 | L | A | -0.3495 | |
| 48 | N | A | -1.3414 | |
| 49 | L | A | -1.1378 | |
| 50 | D | A | -2.2244 | |
| 51 | K | A | -1.8884 | |
| 52 | C | A | 0.0000 | |
| 53 | Y | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | P | A | -1.0279 | |
| 57 | L | A | 0.0000 | |
| 58 | N | A | -0.8145 | |
| 59 | T | A | -0.4797 | |
| 60 | S | A | -0.2985 | |
| 61 | I | A | -0.0018 | |
| 62 | V | A | 0.0000 | |
| 63 | M | A | 0.1717 | |
| 64 | P | A | -0.7769 | |
| 65 | P | A | -0.9826 | |
| 66 | R | A | -1.8735 | |
| 67 | N | A | -1.1722 | |
| 68 | L | A | 0.4592 | |
| 69 | L | A | 1.6436 | |
| 70 | E | A | 0.3627 | |
| 71 | L | A | 0.0000 | |
| 72 | L | A | 1.0349 | |
| 73 | I | A | 0.8468 | |
| 74 | N | A | 0.0000 | |
| 75 | I | A | 0.7418 | |
| 76 | K | A | -0.9120 | |
| 77 | A | A | -0.2872 | |
| 78 | G | A | -0.4097 | |
| 79 | T | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | L | A | 0.1653 | |
| 82 | P | A | -0.6418 | |
| 83 | Q | A | 0.2506 | |
| 84 | S | A | 0.2629 | |
| 85 | Y | A | 0.0000 | |
| 86 | L | A | 0.8794 | |
| 87 | I | A | 0.4719 | |
| 88 | H | A | -0.2482 | |
| 89 | E | A | -0.3948 | |
| 90 | H | A | -0.6185 | |
| 91 | M | A | 0.0000 | |
| 92 | V | A | -0.1354 | |
| 93 | I | A | 0.0000 | |
| 94 | T | A | -1.4513 | |
| 95 | D | A | -2.9448 | |
| 96 | R | A | -3.5611 | |
| 97 | I | A | -2.6791 | |
| 98 | E | A | -3.3924 | |
| 99 | N | A | -2.9312 | |
| 100 | I | A | -2.3702 | |
| 101 | D | A | -3.2401 | |
| 102 | H | A | -2.3709 | |
| 103 | L | A | 0.0000 | |
| 104 | G | A | -2.1601 | |
| 105 | E | A | -2.6452 | mutated: FE105A |
| 106 | F | A | 0.0000 | |
| 107 | I | A | 0.0000 | |
| 108 | Y | A | -2.1216 | |
| 109 | R | A | -2.6962 | |
| 110 | L | A | 0.0000 | |
| 111 | C | A | 0.0000 | |
| 112 | H | A | -2.9882 | |
| 113 | D | A | -3.1632 | |
| 114 | K | A | -2.7555 | |
| 115 | E | A | -3.3180 | |
| 116 | T | A | 0.0000 | |
| 117 | Y | A | 0.0000 | |
| 118 | K | A | -1.6236 | |
| 119 | G | A | 0.0000 | |
| 120 | G | A | -0.6912 | |
| 121 | G | A | -0.8089 | |
| 122 | G | A | -0.9274 | |
| 123 | S | A | -1.0279 | |
| 124 | G | A | -1.2410 | |
| 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 | -0.6604 | |
| 135 | S | A | -0.6452 | |
| 136 | S | A | -0.5394 | |
| 137 | H | A | -0.5681 | |
| 138 | P | A | -0.6578 | |
| 139 | I | A | -0.2908 | |
| 140 | F | A | -0.6233 | |
| 141 | H | A | -1.4759 | |
| 142 | R | A | -2.1482 | |
| 143 | G | A | -1.8574 | |
| 144 | E | A | -1.9311 | |
| 145 | F | A | 0.0000 | |
| 146 | S | A | -0.2818 | |
| 147 | V | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | S | A | -0.6969 | |
| 151 | V | A | 0.0000 | |
| 152 | S | A | -0.1248 | |
| 153 | V | A | 0.4538 | |
| 154 | W | A | 0.3632 | |
| 155 | V | A | -0.0639 | |
| 156 | G | A | -1.2838 | |
| 157 | D | A | -2.2498 | |
| 158 | K | A | -1.0789 | |
| 159 | T | A | -0.5951 | |
| 160 | T | A | -0.5217 | |
| 161 | A | A | 0.0000 | |
| 162 | T | A | -1.9806 | |
| 163 | D | A | 0.0000 | |
| 164 | I | A | -1.5703 | |
| 165 | K | A | -2.8447 | |
| 166 | G | A | -2.6992 | |
| 167 | K | A | -3.1647 | |
| 168 | E | A | -2.8886 | |
| 169 | V | A | 0.0000 | |
| 170 | M | A | -0.2103 | |
| 171 | V | A | 0.0000 | |
| 172 | L | A | -0.7439 | |
| 173 | G | A | -1.7776 | |
| 174 | E | A | -2.0779 | |
| 175 | V | A | 0.0000 | |
| 176 | N | A | -1.6652 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -2.6730 | |
| 179 | N | A | -1.9262 | |
| 180 | S | A | -0.4366 | |
| 181 | V | A | 0.5014 | |
| 182 | F | A | 0.2644 | |
| 183 | K | A | -1.3185 | |
| 184 | Q | A | -1.0068 | |
| 185 | Y | A | -0.6000 | |
| 186 | F | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | E | A | 0.0000 | |
| 189 | T | A | -0.8186 | |
| 190 | K | A | -1.4171 | |
| 191 | C | A | -1.2367 | |
| 192 | R | A | -1.4817 | |
| 193 | D | A | -1.6772 | |
| 194 | P | A | -1.0402 | |
| 195 | N | A | -1.3925 | |
| 196 | P | A | -1.0175 | |
| 197 | V | A | -0.6244 | |
| 198 | D | A | -1.6840 | |
| 199 | S | A | -1.3306 | |
| 200 | G | A | 0.0000 | |
| 201 | C | A | 0.0000 | |
| 202 | R | A | -0.4210 | |
| 203 | G | A | -0.7759 | |
| 204 | I | A | 0.0000 | |
| 205 | D | A | -1.8879 | |
| 206 | S | A | -1.9379 | |
| 207 | K | A | -2.4785 | |
| 208 | H | A | -2.0654 | |
| 209 | W | A | -2.0487 | |
| 210 | N | A | -2.1427 | |
| 211 | S | A | 0.0000 | |
| 212 | Y | A | -0.1511 | |
| 213 | C | A | 0.0000 | |
| 214 | T | A | -0.3015 | |
| 215 | T | A | -0.7662 | |
| 216 | T | A | -0.7041 | |
| 217 | H | A | -1.2069 | |
| 218 | T | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | V | A | -0.4937 | |
| 221 | K | A | -0.6781 | |
| 222 | A | A | 0.0000 | |
| 223 | L | A | -0.1948 | |
| 224 | T | A | 0.0000 | |
| 225 | M | A | -1.1260 | |
| 226 | D | A | -2.4052 | |
| 227 | G | A | -2.0062 | |
| 228 | K | A | -2.7351 | |
| 229 | Q | A | -2.4073 | |
| 230 | A | A | -1.0226 | |
| 231 | A | A | -0.4568 | |
| 232 | W | A | 0.1665 | |
| 233 | R | A | -0.6140 | |
| 234 | F | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | R | A | -1.9034 | |
| 237 | I | A | 0.0000 | |
| 238 | D | A | -1.6107 | |
| 239 | T | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | C | A | 0.0000 | |
| 242 | V | A | 0.3080 | |
| 243 | C | A | 0.0000 | |
| 244 | V | A | -0.0278 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -1.8381 | |
| 247 | R | A | -2.2344 | |
| 248 | K | A | -2.2258 | |
| 249 | A | A | -1.1093 | |
| 250 | V | A | -0.2897 | |
| 251 | R | A | -2.0059 | |
| 252 | R | A | -2.1992 | |
| 253 | A | A | -1.1297 | |
| 1 | Q | B | -1.2844 | |
| 2 | T | B | -1.5088 | |
| 3 | I | B | -1.1943 | |
| 4 | E | B | -2.3895 | |
| 5 | E | B | -1.9497 | |
| 6 | N | B | -2.0878 | |
| 7 | I | B | -1.1055 | |
| 8 | K | B | -1.7098 | |
| 9 | I | B | -1.1183 | |
| 10 | F | B | -1.2966 | |
| 11 | E | B | -2.3368 | |
| 12 | E | B | -3.0362 | |
| 13 | E | B | -2.9618 | |
| 14 | E | B | -2.7788 | |
| 15 | V | B | 0.0000 | |
| 16 | E | B | 0.0000 | |
| 17 | F | B | -0.3743 | |
| 18 | I | B | 0.0000 | |
| 19 | S | B | -0.9403 | |
| 20 | V | B | 0.0000 | |
| 21 | P | B | -0.5323 | |
| 22 | V | B | 0.0814 | |
| 23 | P | B | -0.6877 | |
| 24 | E | B | -1.0920 | |
| 25 | F | B | 0.5484 | |
| 26 | A | B | -0.4072 | |
| 27 | D | B | -1.9704 | |
| 28 | S | B | -1.3566 | |
| 29 | D | B | -0.9753 | |
| 30 | P | B | -0.1932 | |
| 31 | A | B | 0.0000 | |
| 32 | N | B | -0.1673 | |
| 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 | -2.7346 | |
| 39 | K | B | -2.7653 | |
| 40 | K | B | -2.4435 | |
| 41 | L | B | -1.2616 | |
| 42 | T | B | 0.0000 | |
| 43 | A | B | 0.0000 | |
| 44 | Y | B | 0.1940 | |
| 45 | L | B | 0.0000 | |
| 46 | D | B | 0.0000 | |
| 47 | L | B | -0.3507 | |
| 48 | N | B | -1.3341 | |
| 49 | L | B | -1.0693 | |
| 50 | D | B | -2.1927 | |
| 51 | K | B | -1.8345 | |
| 52 | C | B | 0.0000 | |
| 53 | Y | B | 0.0000 | |
| 54 | V | B | 0.0000 | |
| 55 | I | B | 0.0000 | |
| 56 | P | B | -0.8888 | |
| 57 | L | B | 0.0000 | |
| 58 | N | B | -0.5823 | |
| 59 | T | B | -0.4205 | |
| 60 | S | B | -0.2928 | |
| 61 | I | B | 0.0000 | |
| 62 | V | B | 0.1595 | |
| 63 | M | B | -0.0475 | |
| 64 | P | B | -0.8652 | |
| 65 | P | B | 0.0000 | |
| 66 | R | B | -1.9108 | |
| 67 | N | B | -1.2113 | |
| 68 | L | B | 0.3096 | |
| 69 | L | B | 1.6223 | |
| 70 | E | B | 0.4491 | |
| 71 | L | B | 0.0000 | |
| 72 | L | B | 1.0510 | |
| 73 | I | B | 0.9809 | |
| 74 | N | B | 0.0000 | |
| 75 | I | B | 0.5880 | |
| 76 | K | B | -0.9410 | |
| 77 | A | B | -0.3040 | |
| 78 | G | B | -0.4292 | |
| 79 | T | B | 0.0000 | |
| 80 | Y | B | 0.0000 | |
| 81 | L | B | 0.1556 | |
| 82 | P | B | -0.6160 | |
| 83 | Q | B | 0.1253 | |
| 84 | S | B | 0.1458 | |
| 85 | Y | B | 0.4464 | |
| 86 | L | B | 0.5730 | |
| 87 | I | B | 0.2159 | |
| 88 | H | B | -0.4446 | |
| 89 | E | B | -0.4879 | |
| 90 | H | B | -0.5996 | |
| 91 | M | B | 0.0000 | |
| 92 | V | B | 0.1493 | |
| 93 | I | B | 0.0000 | |
| 94 | T | B | -1.3698 | |
| 95 | D | B | -2.9505 | |
| 96 | R | B | -3.6569 | |
| 97 | I | B | -2.6984 | |
| 98 | E | B | -3.4123 | |
| 99 | N | B | -2.9620 | |
| 100 | I | B | -1.9147 | |
| 101 | D | B | -2.5260 | |
| 102 | H | B | -1.8408 | |
| 103 | L | B | 0.0000 | |
| 104 | G | B | -0.3239 | |
| 105 | F | B | 1.1944 | |
| 106 | F | B | 0.0000 | |
| 107 | I | B | 0.0000 | |
| 108 | Y | B | -0.6699 | |
| 109 | R | B | -1.2579 | |
| 110 | L | B | 0.0000 | |
| 111 | C | B | 0.0000 | |
| 112 | H | B | -2.3987 | |
| 113 | D | B | -3.0313 | |
| 114 | K | B | -2.6234 | |
| 115 | E | B | -3.1228 | |
| 116 | T | B | 0.0000 | |
| 117 | Y | B | 0.0000 | |
| 118 | K | B | -1.4774 | |
| 119 | G | B | 0.0000 | |
| 120 | G | B | -0.5234 | |
| 121 | G | B | -0.5797 | |
| 122 | G | B | -0.7448 | |
| 123 | S | B | -0.9976 | |
| 124 | G | B | -1.2540 | |
| 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 | -0.6286 | |
| 135 | S | B | -0.6276 | |
| 136 | S | B | -0.4832 | |
| 137 | H | B | -0.5314 | |
| 138 | P | B | -0.6784 | |
| 139 | I | B | -0.2642 | |
| 140 | F | B | -0.6606 | |
| 141 | H | B | -1.6274 | |
| 142 | R | B | -2.5875 | |
| 143 | G | B | -2.0110 | |
| 144 | E | B | -1.8843 | |
| 145 | F | B | 0.0000 | |
| 146 | S | B | -0.2583 | |
| 147 | V | B | 0.0000 | |
| 148 | C | B | 0.0000 | |
| 149 | D | B | -1.0614 | |
| 150 | S | B | -1.0151 | |
| 151 | V | B | 0.0000 | |
| 152 | S | B | -0.2824 | |
| 153 | V | B | 0.2176 | |
| 154 | W | B | 0.0000 | |
| 155 | V | B | -0.1611 | |
| 156 | G | B | -1.3187 | |
| 157 | D | B | -2.2827 | |
| 158 | K | B | -1.1043 | |
| 159 | T | B | -0.6116 | |
| 160 | T | B | -0.5356 | |
| 161 | A | B | 0.0000 | |
| 162 | T | B | -1.8601 | |
| 163 | D | B | 0.0000 | |
| 164 | I | B | -1.4957 | |
| 165 | K | B | -2.8778 | |
| 166 | G | B | -2.7546 | |
| 167 | K | B | -3.2934 | |
| 168 | E | B | -2.9673 | |
| 169 | V | B | 0.0000 | |
| 170 | M | B | -0.2607 | |
| 171 | V | B | 0.0000 | |
| 172 | L | B | -0.7555 | |
| 173 | G | B | -1.8461 | |
| 174 | E | B | -2.2223 | |
| 175 | V | B | 0.0000 | |
| 176 | N | B | -1.7773 | |
| 177 | I | B | 0.0000 | |
| 178 | N | B | -2.4686 | |
| 179 | N | B | -1.8845 | |
| 180 | S | B | -0.4750 | |
| 181 | V | B | 0.2596 | |
| 182 | F | B | -0.1423 | |
| 183 | K | B | -1.5105 | |
| 184 | Q | B | -1.1155 | |
| 185 | Y | B | -0.6916 | |
| 186 | F | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | E | B | 0.0000 | |
| 189 | T | B | -0.9509 | |
| 190 | K | B | -1.8078 | |
| 191 | C | B | 0.0000 | |
| 192 | R | B | -1.7010 | |
| 193 | D | B | -1.8002 | |
| 194 | P | B | -1.1274 | |
| 195 | N | B | -1.4121 | |
| 196 | P | B | -1.0888 | |
| 197 | V | B | -0.6979 | |
| 198 | D | B | -1.7085 | |
| 199 | S | B | -1.3438 | |
| 200 | G | B | 0.0000 | |
| 201 | C | B | 0.0000 | |
| 202 | R | B | -0.4419 | |
| 203 | G | B | -0.7946 | |
| 204 | I | B | 0.0000 | |
| 205 | D | B | -1.9164 | |
| 206 | S | B | -2.1255 | |
| 207 | K | B | -2.5065 | |
| 208 | H | B | -2.1041 | |
| 209 | W | B | -1.9790 | |
| 210 | N | B | -2.1047 | |
| 211 | S | B | 0.0000 | |
| 212 | Y | B | -0.1473 | |
| 213 | C | B | 0.0000 | |
| 214 | T | B | -0.3954 | |
| 215 | T | B | -0.8587 | |
| 216 | T | B | -0.6920 | |
| 217 | H | B | -1.0990 | |
| 218 | T | B | 0.0000 | |
| 219 | F | B | 0.0000 | |
| 220 | V | B | -0.3833 | |
| 221 | K | B | -0.6012 | |
| 222 | A | B | 0.0000 | |
| 223 | L | B | -0.1693 | |
| 224 | T | B | 0.0000 | |
| 225 | M | B | -1.1825 | |
| 226 | D | B | -2.5562 | |
| 227 | G | B | -2.0793 | |
| 228 | K | B | -2.7723 | |
| 229 | Q | B | -2.4520 | |
| 230 | A | B | -1.0508 | |
| 231 | A | B | -0.4712 | |
| 232 | W | B | 0.2138 | |
| 233 | R | B | -0.5439 | |
| 234 | F | B | 0.0000 | |
| 235 | I | B | 0.0000 | |
| 236 | R | B | -1.3443 | |
| 237 | I | B | 0.0000 | |
| 238 | D | B | -1.3327 | |
| 239 | T | B | 0.0000 | |
| 240 | A | B | 0.0000 | |
| 241 | C | B | 0.0000 | |
| 242 | V | B | 0.2110 | |
| 243 | C | B | 0.0000 | |
| 244 | V | B | -0.0729 | |
| 245 | L | B | 0.0000 | |
| 246 | S | B | -1.6712 | |
| 247 | R | B | -1.8937 | |
| 248 | K | B | -2.0788 | |
| 249 | A | B | -1.0130 | |
| 250 | V | B | -0.2728 | |
| 251 | R | B | -2.0133 | |
| 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 | -0.7296 | 3.9277 | View | CSV | PDB |
| 4.5 | -0.7992 | 3.7427 | View | CSV | PDB |
| 5.0 | -0.8847 | 3.4746 | View | CSV | PDB |
| 5.5 | -0.9688 | 3.1632 | View | CSV | PDB |
| 6.0 | -1.0344 | 2.8485 | View | CSV | PDB |
| 6.5 | -1.071 | 2.7479 | View | CSV | PDB |
| 7.0 | -1.0803 | 2.7091 | View | CSV | PDB |
| 7.5 | -1.0724 | 2.6501 | View | CSV | PDB |
| 8.0 | -1.0553 | 2.5802 | View | CSV | PDB |
| 8.5 | -1.0309 | 2.51 | View | CSV | PDB |
| 9.0 | -0.9976 | 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