| Chain sequence(s) |
A: SEFIFNDVPQRTTSTFDPEAAYVAFEARYGQVLNAGVVRVFFLNQKKAKDVLRKTSRPMVDLTFGGVQFAMVNNHFPQFQSNPVPDNGLTLHRLSGYLARWAFTQMRSPIKQAEFRATVVVPLAEVKGCTWNDGDAMYLGFAAGAEMFLQTFTFFPLVIEMHRVLKDGMDVNFMKKVLRQRYGQKTAEQWMREEIVAVRAAFEAVGTLAWARTGFSPAARDFLRQFGIDI
C: SEFIFNDVPQRTTSTFDPEAAYVAFEARYGQVLNAGVVRVFFLNQKKAKDVLRKTSRPMVDLTFGGVQFAMVNNHFPQFQSNPVPDNGLTLHRLSGYLARWAFTQMRSPIKQAEFRATVVVPLAEVKGCTWNDGDAMYLGFAAGAEMFLQTFTFFPLVIEMHRVLKDGMDVNFMKKVLRQRYGQKTAEQWMREEIVAVRAAFEAVGTLAWARTGFSPAARDFLRQFGIDI B: SEFIFNDVPQRTTSTFDPEAAYVAFEARYGQVLNAGVVRVFFLNQKKAKDVLRKTSRPMVDLTFGGVQFAMVNNHFPQFQSNPVPDNGLTLHRLSGYLARWAFTQMRSPIKQAEFRATVVVPLAEVKGCTWNDGDAMYLGFAAGAEMFLQTFTFFPLVIEMHRVLKDGMDVNFMKKVLRQRYGQKTAEQWMREEIVAVRAAFEAVGTLAWARTGFSPAARDFLRQFGIDI D: SEFIFNDVPQRTTSTFDPEAAYVAFEARYGQVLNAGVVRVFFLNQKKAKDVLRKTSRPMVDLTFGGVQFAMVNNHFPQFQSNPVPDNGLTLHRLSGYLARWAFTQMRSPIKQAEFRATVVVPLAEVKGCTWNDGDAMYLGFAAGAEMFLQTFTFFPLVIEMHRVLKDGMDVNFMKKVLRQRYGQKTAEQWMREEIVAVRAAFEAVGTLAWARTGFSPAARDFLRQFGIDI input PDB |
| Selected Chain(s) | A,C,B,D |
| 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] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:15)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/529e008f60e4cb9/tmp/folded.pdb (00:20:31)
[INFO] Main: Simulation completed successfully. (00:29:12)
|
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 |
|---|---|---|---|---|
| 2 | S | A | -0.5875 | |
| 3 | E | A | -1.0218 | |
| 4 | F | A | 0.0528 | |
| 5 | I | A | 0.8418 | |
| 6 | F | A | 0.0000 | |
| 7 | N | A | -1.3414 | |
| 8 | D | A | -1.3188 | |
| 9 | V | A | -0.1536 | |
| 10 | P | A | -0.9835 | |
| 11 | Q | A | -1.7807 | |
| 12 | R | A | -1.9727 | |
| 13 | T | A | -1.0759 | |
| 14 | T | A | -0.8796 | |
| 15 | S | A | -0.5746 | |
| 16 | T | A | -0.4562 | |
| 17 | F | A | -0.9755 | |
| 18 | D | A | -2.3533 | |
| 19 | P | A | -1.8631 | |
| 20 | E | A | -1.9422 | |
| 21 | A | A | -1.1216 | |
| 22 | A | A | 0.0000 | |
| 23 | Y | A | 0.0000 | |
| 24 | V | A | 0.3693 | |
| 25 | A | A | -0.6202 | |
| 26 | F | A | 0.0000 | |
| 27 | E | A | -1.1112 | |
| 28 | A | A | -1.0730 | |
| 29 | R | A | -1.9803 | |
| 30 | Y | A | -1.3136 | |
| 31 | G | A | -1.2284 | |
| 32 | Q | A | -1.4528 | |
| 33 | V | A | -0.5431 | |
| 34 | L | A | -0.5711 | |
| 35 | N | A | -1.2902 | |
| 36 | A | A | 0.0000 | |
| 37 | G | A | -1.3805 | |
| 38 | V | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | R | A | -0.8993 | |
| 41 | V | A | 0.0000 | |
| 42 | F | A | 0.0000 | |
| 43 | F | A | 0.0000 | |
| 44 | L | A | -0.3229 | |
| 45 | N | A | 0.0000 | |
| 46 | Q | A | -1.5935 | |
| 47 | K | A | -2.7380 | |
| 48 | K | A | -2.8079 | |
| 49 | A | A | 0.0000 | |
| 50 | K | A | -3.2425 | |
| 51 | D | A | -3.4431 | |
| 52 | V | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | R | A | -3.8860 | |
| 55 | K | A | -3.2078 | |
| 56 | T | A | -2.1942 | |
| 57 | S | A | -1.7191 | |
| 58 | R | A | -1.9292 | |
| 59 | P | A | -0.9831 | |
| 60 | M | A | -0.2675 | |
| 61 | V | A | 0.0000 | |
| 62 | D | A | -0.6488 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -0.6279 | |
| 65 | F | A | 0.0000 | |
| 66 | G | A | -1.2996 | |
| 67 | G | A | -0.6602 | |
| 68 | V | A | -0.4159 | |
| 69 | Q | A | -1.0776 | |
| 70 | F | A | 0.0000 | |
| 71 | A | A | -0.4072 | |
| 72 | M | A | 0.0000 | |
| 73 | V | A | -0.0141 | |
| 74 | N | A | 0.0000 | |
| 75 | N | A | -1.7122 | |
| 76 | H | A | -2.1544 | |
| 77 | F | A | -2.4800 | |
| 78 | P | A | -1.7795 | |
| 79 | Q | A | -2.1603 | |
| 80 | F | A | -1.8849 | |
| 81 | Q | A | -2.2467 | |
| 82 | S | A | -1.6674 | |
| 83 | N | A | -2.1402 | |
| 84 | P | A | -1.3372 | |
| 85 | V | A | -0.6559 | |
| 86 | P | A | -0.8696 | |
| 87 | D | A | -1.4456 | |
| 88 | N | A | -1.5507 | |
| 89 | G | A | -0.7945 | |
| 90 | L | A | 0.0000 | |
| 91 | T | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | H | A | -0.7400 | |
| 94 | R | A | -0.4418 | |
| 95 | L | A | 0.0000 | |
| 96 | S | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | Y | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | R | A | -0.1980 | |
| 102 | W | A | 0.1638 | |
| 103 | A | A | 0.0000 | |
| 104 | F | A | 0.6631 | |
| 105 | T | A | -0.0177 | |
| 106 | Q | A | 0.0000 | |
| 107 | M | A | 0.1152 | |
| 108 | R | A | -1.1720 | |
| 109 | S | A | -0.3279 | |
| 110 | P | A | -0.0007 | |
| 111 | I | A | 0.8884 | |
| 112 | K | A | -0.7651 | |
| 113 | Q | A | -0.9074 | |
| 114 | A | A | -0.7750 | |
| 115 | E | A | -1.6515 | |
| 116 | F | A | 0.0000 | |
| 117 | R | A | -1.8856 | |
| 118 | A | A | -0.9784 | |
| 119 | T | A | -0.9234 | |
| 120 | V | A | 0.0000 | |
| 121 | V | A | 0.1278 | |
| 122 | V | A | 0.0000 | |
| 123 | P | A | 0.1143 | |
| 124 | L | A | 0.7974 | |
| 125 | A | A | 0.0000 | |
| 126 | E | A | -0.5787 | |
| 127 | V | A | 0.3188 | |
| 128 | K | A | 0.0000 | |
| 129 | G | A | -0.4253 | |
| 130 | C | A | 0.0000 | |
| 131 | T | A | -1.2346 | |
| 132 | W | A | 0.0000 | |
| 133 | N | A | -2.1060 | |
| 134 | D | A | -1.9270 | |
| 135 | G | A | -1.3151 | |
| 136 | D | A | -0.9353 | |
| 137 | A | A | -0.3668 | |
| 138 | M | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | A | A | -0.0716 | |
| 145 | G | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | E | A | -0.6946 | |
| 148 | M | A | -1.4096 | |
| 149 | F | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | Q | A | -1.5032 | |
| 152 | T | A | -0.4277 | |
| 153 | F | A | 0.0000 | |
| 154 | T | A | -0.2525 | |
| 155 | F | A | 0.0000 | |
| 156 | F | A | 0.0689 | |
| 157 | P | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | E | A | -0.2547 | |
| 162 | M | A | 0.0000 | |
| 163 | H | A | 0.0000 | |
| 164 | R | A | -1.2160 | |
| 165 | V | A | -0.3818 | |
| 166 | L | A | -0.2280 | |
| 167 | K | A | -1.6605 | |
| 168 | D | A | -1.8491 | |
| 169 | G | A | -1.1235 | |
| 170 | M | A | -0.6253 | |
| 171 | D | A | -0.5122 | |
| 172 | V | A | -0.1667 | |
| 173 | N | A | -0.4369 | |
| 174 | F | A | 0.9855 | |
| 175 | M | A | 0.0000 | |
| 176 | K | A | -1.2087 | |
| 177 | K | A | -1.8964 | |
| 178 | V | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | R | A | -3.0614 | |
| 181 | Q | A | -2.5269 | |
| 182 | R | A | -3.1736 | |
| 183 | Y | A | -2.0778 | |
| 184 | G | A | -2.0860 | |
| 185 | Q | A | -2.1129 | |
| 186 | K | A | -2.2707 | |
| 187 | T | A | -2.1017 | |
| 188 | A | A | 0.0000 | |
| 189 | E | A | -2.6893 | |
| 190 | Q | A | -2.7127 | |
| 191 | W | A | 0.0000 | |
| 192 | M | A | 0.0000 | |
| 193 | R | A | -3.0900 | |
| 194 | E | A | -2.7266 | |
| 195 | E | A | -1.2243 | |
| 196 | I | A | -0.2668 | |
| 197 | V | A | 0.8973 | |
| 198 | A | A | 0.0457 | |
| 199 | V | A | 0.0000 | |
| 200 | R | A | -1.4260 | |
| 201 | A | A | -0.7823 | |
| 202 | A | A | 0.0000 | |
| 203 | F | A | -1.0500 | |
| 204 | E | A | -2.2375 | |
| 205 | A | A | -1.2158 | |
| 206 | V | A | 0.0000 | |
| 207 | G | A | -0.9055 | |
| 208 | T | A | -0.4925 | |
| 209 | L | A | -0.3186 | |
| 210 | A | A | -0.0762 | |
| 211 | W | A | -0.4760 | |
| 212 | A | A | -0.6883 | |
| 213 | R | A | -1.3876 | |
| 214 | T | A | -0.6163 | |
| 215 | G | A | -0.9489 | |
| 216 | F | A | 0.0000 | |
| 217 | S | A | -1.4227 | |
| 218 | P | A | -1.5452 | |
| 219 | A | A | -1.8785 | |
| 220 | A | A | 0.0000 | |
| 221 | R | A | -3.4042 | |
| 222 | D | A | -3.8022 | |
| 223 | F | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | R | A | -3.4902 | |
| 226 | Q | A | -2.8999 | |
| 227 | F | A | -1.6251 | |
| 228 | G | A | -1.5459 | |
| 229 | I | A | 0.0000 | |
| 230 | D | A | -2.4284 | |
| 231 | I | A | -0.4417 | |
| 2 | S | B | -0.4187 | |
| 3 | E | B | -0.9892 | |
| 4 | F | B | 0.1477 | |
| 5 | I | B | 0.8467 | |
| 6 | F | B | 0.0000 | |
| 7 | N | B | -1.5296 | |
| 8 | D | B | -2.1969 | |
| 9 | V | B | -0.8748 | |
| 10 | P | B | -1.3962 | |
| 11 | Q | B | -2.0535 | |
| 12 | R | B | -2.3486 | |
| 13 | T | B | -1.2162 | |
| 14 | T | B | -0.6120 | |
| 15 | S | B | -0.4758 | |
| 16 | T | B | -0.4176 | |
| 17 | F | B | -0.8334 | |
| 18 | D | B | -2.2961 | |
| 19 | P | B | -1.6984 | |
| 20 | E | B | -1.7854 | |
| 21 | A | B | -0.9984 | |
| 22 | A | B | 0.0000 | |
| 23 | Y | B | 0.0000 | |
| 24 | V | B | 0.3156 | |
| 25 | A | B | -0.6158 | |
| 26 | F | B | 0.0000 | |
| 27 | E | B | -1.0105 | |
| 28 | A | B | -1.0707 | |
| 29 | R | B | -2.0119 | |
| 30 | Y | B | 0.0000 | |
| 31 | G | B | -1.2232 | |
| 32 | Q | B | -1.4350 | |
| 33 | V | B | -0.4801 | |
| 34 | L | B | -0.5294 | |
| 35 | N | B | -1.2355 | |
| 36 | A | B | 0.0000 | |
| 37 | G | B | -1.2388 | |
| 38 | V | B | 0.0000 | |
| 39 | V | B | 0.0000 | |
| 40 | R | B | -0.4728 | |
| 41 | V | B | 0.0000 | |
| 42 | F | B | 0.0000 | |
| 43 | F | B | 0.0000 | |
| 44 | L | B | -0.0626 | |
| 45 | N | B | 0.0000 | |
| 46 | Q | B | -1.8667 | |
| 47 | K | B | -3.1538 | |
| 48 | K | B | -3.1384 | |
| 49 | A | B | 0.0000 | |
| 50 | K | B | -4.0265 | |
| 51 | D | B | -3.8699 | |
| 52 | V | B | -2.7552 | |
| 53 | L | B | 0.0000 | |
| 54 | R | B | -3.8267 | |
| 55 | K | B | -3.1345 | |
| 56 | T | B | -1.8416 | |
| 57 | S | B | -1.6036 | |
| 58 | R | B | -1.8204 | |
| 59 | P | B | -0.7355 | |
| 60 | M | B | 0.1077 | |
| 61 | V | B | 0.0000 | |
| 62 | D | B | -0.5808 | |
| 63 | L | B | 0.0000 | |
| 64 | T | B | -0.3213 | |
| 65 | F | B | 0.0000 | |
| 66 | G | B | -1.0164 | |
| 67 | G | B | -0.6147 | |
| 68 | V | B | -0.4308 | |
| 69 | Q | B | -0.9767 | |
| 70 | F | B | 0.0000 | |
| 71 | A | B | -0.3809 | |
| 72 | M | B | 0.0000 | |
| 73 | V | B | 0.0911 | |
| 74 | N | B | 0.0000 | |
| 75 | N | B | -1.6866 | |
| 76 | H | B | -2.1791 | |
| 77 | F | B | -2.3931 | |
| 78 | P | B | -1.6943 | |
| 79 | Q | B | -2.1040 | |
| 80 | F | B | -1.7763 | |
| 81 | Q | B | -2.2119 | |
| 82 | S | B | -1.6684 | |
| 83 | N | B | -1.9690 | |
| 84 | P | B | -1.0311 | |
| 85 | V | B | -0.5904 | |
| 86 | P | B | -0.7879 | |
| 87 | D | B | -1.2252 | |
| 88 | N | B | -1.4295 | |
| 89 | G | B | -0.6758 | |
| 90 | L | B | 0.0000 | |
| 91 | T | B | 0.0000 | |
| 92 | L | B | 0.0000 | |
| 93 | H | B | -0.6916 | |
| 94 | R | B | -0.3669 | |
| 95 | L | B | 0.0000 | |
| 96 | S | B | 0.0000 | |
| 97 | G | B | 0.0000 | |
| 98 | Y | B | 0.0000 | |
| 99 | L | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | R | B | -0.1810 | |
| 102 | W | B | 0.2172 | |
| 103 | A | B | 0.1312 | |
| 104 | F | B | 0.6886 | |
| 105 | T | B | -0.0431 | |
| 106 | Q | B | 0.0000 | |
| 107 | M | B | 0.0497 | |
| 108 | R | B | -1.2035 | |
| 109 | S | B | -0.3892 | |
| 110 | P | B | -0.0781 | |
| 111 | I | B | 0.6975 | |
| 112 | K | B | -0.8712 | |
| 113 | Q | B | -1.1957 | |
| 114 | A | B | -0.9085 | |
| 115 | E | B | -1.6647 | |
| 116 | F | B | 0.0000 | |
| 117 | R | B | -1.9184 | |
| 118 | A | B | -1.0469 | |
| 119 | T | B | -0.9203 | |
| 120 | V | B | 0.0000 | |
| 121 | V | B | 0.1699 | |
| 122 | V | B | 0.0000 | |
| 123 | P | B | 0.2521 | |
| 124 | L | B | 0.7507 | |
| 125 | A | B | 0.0000 | |
| 126 | E | B | -0.1169 | |
| 127 | V | B | 1.1219 | |
| 128 | K | B | 0.1683 | |
| 129 | G | B | -0.3881 | |
| 130 | C | B | 0.0000 | |
| 131 | T | B | -1.1250 | |
| 132 | W | B | 0.0000 | |
| 133 | N | B | -2.1345 | |
| 134 | D | B | -1.9154 | |
| 135 | G | B | -1.3675 | |
| 136 | D | B | -1.1139 | |
| 137 | A | B | -0.4182 | |
| 138 | M | B | 0.0000 | |
| 139 | Y | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | G | B | 0.0000 | |
| 142 | F | B | 0.0000 | |
| 143 | A | B | 0.0000 | |
| 144 | A | B | -0.0649 | |
| 145 | G | B | 0.0000 | |
| 146 | A | B | 0.0000 | |
| 147 | E | B | 0.0000 | |
| 148 | M | B | 0.0000 | |
| 149 | F | B | 0.0000 | |
| 150 | L | B | 0.0000 | |
| 151 | Q | B | -1.4536 | |
| 152 | T | B | -0.4232 | |
| 153 | F | B | 0.0000 | |
| 154 | T | B | -0.2445 | |
| 155 | F | B | 0.0000 | |
| 156 | F | B | 0.1015 | |
| 157 | P | B | 0.0000 | |
| 158 | L | B | 0.0000 | |
| 159 | V | B | 0.0000 | |
| 160 | I | B | 0.0000 | |
| 161 | E | B | -0.3164 | |
| 162 | M | B | 0.0000 | |
| 163 | H | B | 0.0000 | |
| 164 | R | B | -1.3967 | |
| 165 | V | B | -0.5945 | |
| 166 | L | B | -0.4979 | |
| 167 | K | B | -1.7941 | |
| 168 | D | B | -2.0882 | |
| 169 | G | B | -1.3615 | |
| 170 | M | B | -0.8078 | |
| 171 | D | B | -0.6665 | |
| 172 | V | B | -0.2031 | |
| 173 | N | B | -0.3483 | |
| 174 | F | B | 1.0372 | |
| 175 | M | B | 0.0000 | |
| 176 | K | B | -0.8182 | |
| 177 | K | B | -1.2229 | |
| 178 | V | B | 0.0000 | |
| 179 | L | B | 0.0000 | |
| 180 | R | B | -2.6927 | |
| 181 | Q | B | -2.3019 | |
| 182 | R | B | -3.3056 | |
| 183 | Y | B | -2.0726 | |
| 184 | G | B | -2.1215 | |
| 185 | Q | B | -2.1658 | |
| 186 | K | B | -2.3189 | |
| 187 | T | B | -2.1015 | |
| 188 | A | B | 0.0000 | |
| 189 | E | B | -2.6370 | |
| 190 | Q | B | -2.7186 | |
| 191 | W | B | 0.0000 | |
| 192 | M | B | 0.0000 | |
| 193 | R | B | -2.9404 | |
| 194 | E | B | -2.8101 | |
| 195 | E | B | -1.1929 | |
| 196 | I | B | -0.2113 | |
| 197 | V | B | 1.1836 | |
| 198 | A | B | 0.3529 | |
| 199 | V | B | 0.0000 | |
| 200 | R | B | -0.3668 | |
| 201 | A | B | -0.2270 | |
| 202 | A | B | 0.0000 | |
| 203 | F | B | -0.6630 | |
| 204 | E | B | -1.9040 | |
| 205 | A | B | -1.0250 | |
| 206 | V | B | 0.0000 | |
| 207 | G | B | -0.9542 | |
| 208 | T | B | -0.5278 | |
| 209 | L | B | -0.5612 | |
| 210 | A | B | -0.3957 | |
| 211 | W | B | 0.0000 | |
| 212 | A | B | -0.6127 | |
| 213 | R | B | -1.2353 | |
| 214 | T | B | -0.5589 | |
| 215 | G | B | -1.0254 | |
| 216 | F | B | 0.0000 | |
| 217 | S | B | -1.2124 | |
| 218 | P | B | -1.1856 | |
| 219 | A | B | -1.5864 | |
| 220 | A | B | 0.0000 | |
| 221 | R | B | -2.4492 | |
| 222 | D | B | -3.2355 | |
| 223 | F | B | 0.0000 | |
| 224 | L | B | 0.0000 | |
| 225 | R | B | -3.4331 | |
| 226 | Q | B | -2.3003 | |
| 227 | F | B | -1.4720 | |
| 228 | G | B | -1.5339 | |
| 229 | I | B | 0.0000 | |
| 230 | D | B | -2.7634 | |
| 231 | I | B | -1.3147 | |
| 2 | S | C | -0.5661 | |
| 3 | E | C | -1.4424 | |
| 4 | F | C | -0.4240 | |
| 5 | I | C | 0.1980 | |
| 6 | F | C | 0.0000 | |
| 7 | N | C | -1.7874 | |
| 8 | D | C | -2.3040 | |
| 9 | V | C | -1.1826 | |
| 10 | P | C | -1.5557 | |
| 11 | Q | C | -1.8757 | |
| 12 | R | C | -1.7114 | |
| 13 | T | C | -0.9349 | |
| 14 | T | C | -0.6095 | |
| 15 | S | C | -0.5533 | |
| 16 | T | C | -0.5008 | |
| 17 | F | C | -0.8478 | |
| 18 | D | C | -2.4617 | |
| 19 | P | C | -1.8649 | |
| 20 | E | C | -2.0229 | |
| 21 | A | C | -1.1518 | |
| 22 | A | C | 0.0000 | |
| 23 | Y | C | 0.0000 | |
| 24 | V | C | 0.3026 | |
| 25 | A | C | -0.4936 | |
| 26 | F | C | 0.0000 | |
| 27 | E | C | -0.7802 | |
| 28 | A | C | -0.7782 | |
| 29 | R | C | -1.4558 | |
| 30 | Y | C | -1.0128 | |
| 31 | G | C | -1.0170 | |
| 32 | Q | C | -1.3290 | |
| 33 | V | C | -0.4475 | |
| 34 | L | C | -0.5241 | |
| 35 | N | C | -1.2980 | |
| 36 | A | C | 0.0000 | |
| 37 | G | C | -1.4213 | |
| 38 | V | C | 0.0000 | |
| 39 | V | C | 0.0000 | |
| 40 | R | C | -0.9535 | |
| 41 | V | C | 0.0000 | |
| 42 | F | C | 0.0000 | |
| 43 | F | C | 0.0000 | |
| 44 | L | C | -0.2195 | |
| 45 | N | C | 0.0000 | |
| 46 | Q | C | -1.7067 | |
| 47 | K | C | -3.0158 | |
| 48 | K | C | -3.1354 | |
| 49 | A | C | 0.0000 | |
| 50 | K | C | -3.3278 | |
| 51 | D | C | -3.8338 | |
| 52 | V | C | -2.7595 | |
| 53 | L | C | 0.0000 | |
| 54 | R | C | -3.5324 | |
| 55 | K | C | -3.0902 | |
| 56 | T | C | -1.9276 | |
| 57 | S | C | -1.6581 | |
| 58 | R | C | -1.9117 | |
| 59 | P | C | -1.0761 | |
| 60 | M | C | -0.1790 | |
| 61 | V | C | 0.0000 | |
| 62 | D | C | -0.5262 | |
| 63 | L | C | 0.0000 | |
| 64 | T | C | 0.0000 | |
| 65 | F | C | 0.0000 | |
| 66 | G | C | -1.1032 | |
| 67 | G | C | -0.4910 | |
| 68 | V | C | -0.3764 | |
| 69 | Q | C | -0.9449 | |
| 70 | F | C | 0.0000 | |
| 71 | A | C | -0.4201 | |
| 72 | M | C | 0.0000 | |
| 73 | V | C | 0.0000 | |
| 74 | N | C | 0.0000 | |
| 75 | N | C | -1.5864 | |
| 76 | H | C | -2.0618 | |
| 77 | F | C | -2.3774 | |
| 78 | P | C | -1.7280 | |
| 79 | Q | C | -2.2781 | |
| 80 | F | C | -1.9099 | |
| 81 | Q | C | -2.2129 | |
| 82 | S | C | -1.5746 | |
| 83 | N | C | -2.2087 | |
| 84 | P | C | -1.3116 | |
| 85 | V | C | -0.6098 | |
| 86 | P | C | -0.7459 | |
| 87 | D | C | -1.1767 | |
| 88 | N | C | -1.4461 | |
| 89 | G | C | -0.7357 | |
| 90 | L | C | 0.0000 | |
| 91 | T | C | 0.0000 | |
| 92 | L | C | 0.0000 | |
| 93 | H | C | -0.6666 | |
| 94 | R | C | -0.4200 | |
| 95 | L | C | 0.0000 | |
| 96 | S | C | 0.0000 | |
| 97 | G | C | 0.0000 | |
| 98 | Y | C | 0.0000 | |
| 99 | L | C | 0.0000 | |
| 100 | A | C | 0.0000 | |
| 101 | R | C | -0.2035 | |
| 102 | W | C | 0.1913 | |
| 103 | A | C | 0.0000 | |
| 104 | F | C | 0.6078 | |
| 105 | T | C | -0.0734 | |
| 106 | Q | C | 0.0000 | |
| 107 | M | C | 0.0639 | |
| 108 | R | C | -1.2068 | |
| 109 | S | C | -0.3736 | |
| 110 | P | C | -0.0635 | |
| 111 | I | C | 0.8338 | |
| 112 | K | C | -0.9394 | |
| 113 | Q | C | -1.2778 | |
| 114 | A | C | -1.1001 | |
| 115 | E | C | -1.9251 | |
| 116 | F | C | 0.0000 | |
| 117 | R | C | -2.6103 | |
| 118 | A | C | -1.3482 | |
| 119 | T | C | -1.1453 | |
| 120 | V | C | 0.0000 | |
| 121 | V | C | 0.0226 | |
| 122 | V | C | 0.0000 | |
| 123 | P | C | 0.0684 | |
| 124 | L | C | 0.6720 | |
| 125 | A | C | 0.0000 | |
| 126 | E | C | -0.9852 | |
| 127 | V | C | -0.0308 | |
| 128 | K | C | 0.0000 | |
| 129 | G | C | -0.7095 | |
| 130 | C | C | 0.0000 | |
| 131 | T | C | -1.4359 | |
| 132 | W | C | 0.0000 | |
| 133 | N | C | -2.1813 | |
| 134 | D | C | -1.9073 | |
| 135 | G | C | -1.3340 | |
| 136 | D | C | -1.0418 | |
| 137 | A | C | -0.3712 | |
| 138 | M | C | 0.0000 | |
| 139 | Y | C | 0.0000 | |
| 140 | L | C | 0.0000 | |
| 141 | G | C | 0.0000 | |
| 142 | F | C | 0.0000 | |
| 143 | A | C | 0.0000 | |
| 144 | A | C | -0.0492 | |
| 145 | G | C | 0.0000 | |
| 146 | A | C | 0.0000 | |
| 147 | E | C | -0.6742 | |
| 148 | M | C | -1.3618 | |
| 149 | F | C | 0.0000 | |
| 150 | L | C | 0.0000 | |
| 151 | Q | C | -1.7148 | |
| 152 | T | C | -0.5213 | |
| 153 | F | C | 0.0000 | |
| 154 | T | C | -0.3027 | |
| 155 | F | C | 0.0000 | |
| 156 | F | C | 0.0298 | |
| 157 | P | C | 0.0000 | |
| 158 | L | C | 0.0000 | |
| 159 | V | C | 0.0000 | |
| 160 | I | C | 0.0000 | |
| 161 | E | C | -0.3387 | |
| 162 | M | C | 0.0000 | |
| 163 | H | C | 0.0000 | |
| 164 | R | C | -1.0657 | |
| 165 | V | C | -0.2295 | |
| 166 | L | C | 0.0282 | |
| 167 | K | C | -0.8444 | |
| 168 | D | C | -1.0742 | |
| 169 | G | C | -0.8311 | |
| 170 | M | C | -0.4973 | |
| 171 | D | C | -0.5029 | |
| 172 | V | C | -0.2056 | |
| 173 | N | C | -0.3023 | |
| 174 | F | C | 1.1066 | |
| 175 | M | C | 0.0000 | |
| 176 | K | C | -0.9210 | |
| 177 | K | C | -1.3402 | |
| 178 | V | C | 0.0000 | |
| 179 | L | C | 0.0000 | |
| 180 | R | C | -2.6855 | |
| 181 | Q | C | -2.4362 | |
| 182 | R | C | -3.3604 | |
| 183 | Y | C | -2.1537 | |
| 184 | G | C | -2.2381 | |
| 185 | Q | C | -2.1928 | |
| 186 | K | C | -2.3301 | |
| 187 | T | C | -2.0581 | |
| 188 | A | C | 0.0000 | |
| 189 | E | C | -2.5241 | |
| 190 | Q | C | -2.7234 | |
| 191 | W | C | 0.0000 | |
| 192 | M | C | 0.0000 | |
| 193 | R | C | -3.0742 | |
| 194 | E | C | -2.7450 | |
| 195 | E | C | -1.1018 | |
| 196 | I | C | -0.0072 | |
| 197 | V | C | 1.2551 | |
| 198 | A | C | 0.3964 | |
| 199 | V | C | 0.0000 | |
| 200 | R | C | -0.3534 | |
| 201 | A | C | -0.2385 | |
| 202 | A | C | 0.0000 | |
| 203 | F | C | -0.7008 | |
| 204 | E | C | -1.9306 | |
| 205 | A | C | -1.0477 | |
| 206 | V | C | 0.0000 | |
| 207 | G | C | -0.8695 | |
| 208 | T | C | -0.5170 | |
| 209 | L | C | -0.3547 | |
| 210 | A | C | -0.1650 | |
| 211 | W | C | -0.3816 | |
| 212 | A | C | -0.5491 | |
| 213 | R | C | -0.5590 | |
| 214 | T | C | -0.3479 | |
| 215 | G | C | -0.8101 | |
| 216 | F | C | 0.0000 | |
| 217 | S | C | -1.1658 | |
| 218 | P | C | -1.2124 | |
| 219 | A | C | -1.6077 | |
| 220 | A | C | 0.0000 | |
| 221 | R | C | -2.7640 | |
| 222 | D | C | -3.3564 | |
| 223 | F | C | 0.0000 | |
| 224 | L | C | 0.0000 | |
| 225 | R | C | -3.8812 | |
| 226 | Q | C | -2.9655 | |
| 227 | F | C | 0.0000 | |
| 228 | G | C | -1.8312 | |
| 229 | I | C | 0.0000 | |
| 230 | D | C | -2.7118 | |
| 231 | I | C | -1.1799 | |
| 2 | S | D | -0.5179 | |
| 3 | E | D | -1.4738 | |
| 4 | F | D | -0.3752 | |
| 5 | I | D | 0.1898 | |
| 6 | F | D | 0.0000 | |
| 7 | N | D | -1.8337 | |
| 8 | D | D | -2.2792 | |
| 9 | V | D | -1.0051 | |
| 10 | P | D | -1.5164 | |
| 11 | Q | D | -2.2663 | |
| 12 | R | D | -2.4890 | |
| 13 | T | D | -1.3267 | |
| 14 | T | D | -0.8208 | |
| 15 | S | D | -0.8630 | |
| 16 | T | D | -0.7280 | |
| 17 | F | D | -0.8376 | |
| 18 | D | D | -2.1717 | |
| 19 | P | D | -1.5559 | |
| 20 | E | D | -1.6213 | |
| 21 | A | D | -0.9259 | |
| 22 | A | D | 0.0000 | |
| 23 | Y | D | 0.0000 | |
| 24 | V | D | 0.4150 | |
| 25 | A | D | -0.4580 | |
| 26 | F | D | 0.0000 | |
| 27 | E | D | -0.8200 | |
| 28 | A | D | -0.7892 | |
| 29 | R | D | -1.4723 | |
| 30 | Y | D | -1.0482 | |
| 31 | G | D | -1.0631 | |
| 32 | Q | D | -1.3764 | |
| 33 | V | D | -0.5243 | |
| 34 | L | D | -0.5707 | |
| 35 | N | D | -1.2715 | |
| 36 | A | D | -1.2629 | |
| 37 | G | D | -1.0204 | |
| 38 | V | D | 0.0000 | |
| 39 | V | D | 0.0000 | |
| 40 | R | D | -0.3414 | |
| 41 | V | D | 0.0000 | |
| 42 | F | D | 0.0000 | |
| 43 | F | D | 0.0000 | |
| 44 | L | D | -0.0942 | |
| 45 | N | D | 0.0000 | |
| 46 | Q | D | -1.7696 | |
| 47 | K | D | -3.0166 | |
| 48 | K | D | -3.3906 | |
| 49 | A | D | 0.0000 | |
| 50 | K | D | -3.4135 | |
| 51 | D | D | -3.6172 | |
| 52 | V | D | 0.0000 | |
| 53 | L | D | 0.0000 | |
| 54 | R | D | -3.5282 | |
| 55 | K | D | -3.0240 | |
| 56 | T | D | -1.8327 | |
| 57 | S | D | -1.6081 | |
| 58 | R | D | -1.8017 | |
| 59 | P | D | -0.9893 | |
| 60 | M | D | -0.0718 | |
| 61 | V | D | 0.0000 | |
| 62 | D | D | -0.7953 | |
| 63 | L | D | 0.0000 | |
| 64 | T | D | -0.6559 | |
| 65 | F | D | 0.0000 | |
| 66 | G | D | -1.1516 | |
| 67 | G | D | -0.6622 | |
| 68 | V | D | -0.5511 | |
| 69 | Q | D | -1.1266 | |
| 70 | F | D | 0.0000 | |
| 71 | A | D | -0.4449 | |
| 72 | M | D | 0.0000 | |
| 73 | V | D | 0.0086 | |
| 74 | N | D | 0.0000 | |
| 75 | N | D | -1.5844 | |
| 76 | H | D | -2.0682 | |
| 77 | F | D | -2.2748 | |
| 78 | P | D | -1.6651 | |
| 79 | Q | D | -2.0952 | |
| 80 | F | D | -1.7893 | |
| 81 | Q | D | -2.2290 | |
| 82 | S | D | -1.6744 | |
| 83 | N | D | -1.9717 | |
| 84 | P | D | -1.0190 | |
| 85 | V | D | -0.5812 | |
| 86 | P | D | -0.7700 | |
| 87 | D | D | -1.1947 | |
| 88 | N | D | -1.4416 | |
| 89 | G | D | -0.7007 | |
| 90 | L | D | 0.0000 | |
| 91 | T | D | 0.0000 | |
| 92 | L | D | 0.0000 | |
| 93 | H | D | -0.6560 | |
| 94 | R | D | -0.3924 | |
| 95 | L | D | 0.0000 | |
| 96 | S | D | 0.0000 | |
| 97 | G | D | 0.0000 | |
| 98 | Y | D | 0.0000 | |
| 99 | L | D | 0.0000 | |
| 100 | A | D | 0.0000 | |
| 101 | R | D | -0.1936 | |
| 102 | W | D | 0.1845 | |
| 103 | A | D | 0.0931 | |
| 104 | F | D | 0.6767 | |
| 105 | T | D | -0.0397 | |
| 106 | Q | D | 0.0000 | |
| 107 | M | D | 0.0411 | |
| 108 | R | D | -1.1895 | |
| 109 | S | D | -0.3645 | |
| 110 | P | D | -0.1074 | |
| 111 | I | D | 0.7792 | |
| 112 | K | D | -0.9557 | |
| 113 | Q | D | -1.3266 | |
| 114 | A | D | -1.0956 | |
| 115 | E | D | -2.0455 | |
| 116 | F | D | 0.0000 | |
| 117 | R | D | -2.3388 | |
| 118 | A | D | -1.2104 | |
| 119 | T | D | -1.0583 | |
| 120 | V | D | 0.0000 | |
| 121 | V | D | 0.0969 | |
| 122 | V | D | 0.0000 | |
| 123 | P | D | 0.2533 | |
| 124 | L | D | 0.7452 | |
| 125 | A | D | 0.0000 | |
| 126 | E | D | -0.1227 | |
| 127 | V | D | 1.1009 | |
| 128 | K | D | 0.1273 | |
| 129 | G | D | -0.4290 | |
| 130 | C | D | 0.0000 | |
| 131 | T | D | -1.1186 | |
| 132 | W | D | -1.6000 | |
| 133 | N | D | -2.1076 | |
| 134 | D | D | -1.8889 | |
| 135 | G | D | -1.3854 | |
| 136 | D | D | -1.2321 | |
| 137 | A | D | -0.5074 | |
| 138 | M | D | 0.0000 | |
| 139 | Y | D | 0.0000 | |
| 140 | L | D | 0.0000 | |
| 141 | G | D | 0.0000 | |
| 142 | F | D | 0.0000 | |
| 143 | A | D | 0.0000 | |
| 144 | A | D | -0.0713 | |
| 145 | G | D | 0.0000 | |
| 146 | A | D | 0.0000 | |
| 147 | E | D | 0.0000 | |
| 148 | M | D | 0.0000 | |
| 149 | F | D | 0.0000 | |
| 150 | L | D | 0.0000 | |
| 151 | Q | D | -1.6515 | |
| 152 | T | D | -0.5716 | |
| 153 | F | D | 0.0000 | |
| 154 | T | D | -0.3385 | |
| 155 | F | D | 0.0000 | |
| 156 | F | D | 0.0553 | |
| 157 | P | D | 0.0000 | |
| 158 | L | D | 0.0000 | |
| 159 | V | D | 0.0000 | |
| 160 | I | D | 0.0000 | |
| 161 | E | D | -0.4833 | |
| 162 | M | D | 0.0000 | |
| 163 | H | D | 0.0000 | |
| 164 | R | D | -1.5627 | |
| 165 | V | D | -0.7804 | |
| 166 | L | D | -0.5356 | |
| 167 | K | D | -1.8063 | |
| 168 | D | D | -2.1875 | |
| 169 | G | D | -1.5358 | |
| 170 | M | D | -1.1125 | |
| 171 | D | D | -1.2282 | |
| 172 | V | D | -0.2065 | |
| 173 | N | D | -0.1416 | |
| 174 | F | D | 0.9183 | |
| 175 | M | D | 0.0000 | |
| 176 | K | D | -0.8867 | |
| 177 | K | D | -1.5614 | |
| 178 | V | D | 0.0000 | |
| 179 | L | D | 0.0000 | |
| 180 | R | D | -2.5677 | |
| 181 | Q | D | -2.0364 | |
| 182 | R | D | -2.7422 | |
| 183 | Y | D | -1.8331 | |
| 184 | G | D | -1.9575 | |
| 185 | Q | D | -2.0361 | |
| 186 | K | D | -2.1310 | |
| 187 | T | D | -1.8355 | |
| 188 | A | D | 0.0000 | |
| 189 | E | D | -2.4983 | |
| 190 | Q | D | -2.6474 | |
| 191 | W | D | 0.0000 | |
| 192 | M | D | 0.0000 | |
| 193 | R | D | -3.1104 | |
| 194 | E | D | -2.7856 | |
| 195 | E | D | -1.3386 | |
| 196 | I | D | -0.5503 | |
| 197 | V | D | 0.7691 | |
| 198 | A | D | -0.0555 | |
| 199 | V | D | 0.0000 | |
| 200 | R | D | -1.6737 | |
| 201 | A | D | -0.8680 | |
| 202 | A | D | 0.0000 | |
| 203 | F | D | -1.1301 | |
| 204 | E | D | -2.2688 | |
| 205 | A | D | -1.2155 | |
| 206 | V | D | 0.0000 | |
| 207 | G | D | -0.9300 | |
| 208 | T | D | -0.5161 | |
| 209 | L | D | -0.5816 | |
| 210 | A | D | -0.4347 | |
| 211 | W | D | 0.0000 | |
| 212 | A | D | -0.8867 | |
| 213 | R | D | -1.4235 | |
| 214 | T | D | -0.6645 | |
| 215 | G | D | -1.0092 | |
| 216 | F | D | 0.0000 | |
| 217 | S | D | -1.1959 | |
| 218 | P | D | -1.1684 | |
| 219 | A | D | -1.5119 | |
| 220 | A | D | 0.0000 | |
| 221 | R | D | -2.4315 | |
| 222 | D | D | -3.2562 | |
| 223 | F | D | 0.0000 | |
| 224 | L | D | 0.0000 | |
| 225 | R | D | -3.5983 | |
| 226 | Q | D | -2.5105 | |
| 227 | F | D | 0.0000 | |
| 228 | G | D | -1.7059 | |
| 229 | I | D | 0.0000 | |
| 230 | D | D | -2.7905 | |
| 231 | I | D | -1.3744 |
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 | -0.5758 | 3.3326 | View | CSV | PDB |
| 4.5 | -0.6344 | 3.2703 | View | CSV | PDB |
| 5.0 | -0.7052 | 3.2045 | View | CSV | PDB |
| 5.5 | -0.7777 | 3.1433 | View | CSV | PDB |
| 6.0 | -0.841 | 3.0984 | View | CSV | PDB |
| 6.5 | -0.8863 | 3.0813 | View | CSV | PDB |
| 7.0 | -0.9119 | 3.0924 | View | CSV | PDB |
| 7.5 | -0.9228 | 3.1224 | View | CSV | PDB |
| 8.0 | -0.9244 | 3.166 | View | CSV | PDB |
| 8.5 | -0.9179 | 3.2248 | View | CSV | PDB |
| 9.0 | -0.9014 | 3.3289 | 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