| Chain sequence(s) |
A: EVQLVESGGGLVQPGGSLRLSCAASGFTFSNYWMNWVRQAPGKGLEWVAAINQDGSEKYYVGSVKGRFTISRDNAKNSLYLQMNSLRVEDTAVYYCVRDYYDILTDYYIHYWYFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
C: PKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHCPNSFRLEKILVSVGCTCVTPIVHHVAHHHHHH B: EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPCTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTQGTTSVTKSFNRGEC input PDB |
| Selected Chain(s) | A,C,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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/db7cc351aa06fdb/tmp/folded.pdb (00:17:09)
[INFO] Main: Simulation completed successfully. (00:25:34)
|
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 | E | A | -1.7997 | |
| 2 | V | A | -0.6763 | |
| 3 | Q | A | -0.9899 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.4680 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.5234 | |
| 8 | G | A | -0.9227 | |
| 9 | G | A | -0.4459 | |
| 10 | G | A | -0.1932 | |
| 11 | L | A | 0.0733 | |
| 12 | V | A | -0.3616 | |
| 13 | Q | A | -1.2905 | |
| 14 | P | A | -1.1782 | |
| 15 | G | A | -1.1671 | |
| 16 | G | A | -1.0460 | |
| 17 | S | A | -1.2135 | |
| 18 | L | A | -1.0500 | |
| 19 | R | A | -2.1521 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.4776 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -0.1863 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.6765 | |
| 26 | G | A | -0.8672 | |
| 27 | F | A | -0.3863 | |
| 28 | T | A | -0.3339 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -1.1655 | |
| 31 | N | A | -0.8935 | |
| 32 | Y | A | -0.4019 | |
| 33 | W | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | N | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.8158 | |
| 40 | A | A | -1.1636 | |
| 41 | P | A | -0.9388 | |
| 42 | G | A | -1.4842 | |
| 43 | K | A | -2.4131 | |
| 44 | G | A | -1.6502 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.1518 | |
| 47 | W | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | N | A | 0.0000 | |
| 53 | Q | A | -1.4645 | |
| 54 | D | A | -2.3288 | |
| 55 | G | A | -1.4690 | |
| 56 | S | A | -1.0114 | |
| 57 | E | A | -0.6550 | |
| 58 | K | A | -0.3781 | |
| 59 | Y | A | 0.0000 | |
| 60 | Y | A | 0.0000 | |
| 61 | V | A | -0.4114 | |
| 62 | G | A | -0.8121 | |
| 63 | S | A | -0.9095 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -1.5080 | |
| 66 | G | A | -1.2289 | |
| 67 | R | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.7679 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.6626 | |
| 72 | R | A | -1.2494 | |
| 73 | D | A | -1.7296 | |
| 74 | N | A | -1.9636 | |
| 75 | A | A | -1.3396 | |
| 76 | K | A | -2.2648 | |
| 77 | N | A | -1.7390 | |
| 78 | S | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | Y | A | -0.5575 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.2497 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.3622 | |
| 85 | S | A | -1.1909 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -1.4022 | |
| 88 | V | A | 0.0302 | |
| 89 | E | A | -1.3975 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.1652 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.1770 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | -0.2277 | |
| 99 | D | A | 0.0000 | |
| 100 | Y | A | 0.3125 | |
| 101 | Y | A | 0.7123 | |
| 102 | D | A | 1.1317 | |
| 103 | I | A | 2.3636 | |
| 104 | L | A | 2.2129 | |
| 105 | T | A | 0.6230 | |
| 106 | D | A | -0.2955 | |
| 107 | Y | A | 1.5607 | |
| 108 | Y | A | 1.4343 | |
| 109 | I | A | 1.3445 | |
| 110 | H | A | 0.0000 | |
| 111 | Y | A | 0.5312 | |
| 112 | W | A | 0.0000 | |
| 113 | Y | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | D | A | -0.5867 | |
| 116 | L | A | -0.3338 | |
| 117 | W | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | R | A | -1.9389 | |
| 120 | G | A | 0.0000 | |
| 121 | T | A | 0.0000 | |
| 122 | L | A | 0.4109 | |
| 123 | V | A | 0.0000 | |
| 124 | T | A | -0.0423 | |
| 125 | V | A | 0.0000 | |
| 126 | S | A | -0.4560 | |
| 127 | S | A | -0.4836 | |
| 128 | A | A | -0.4734 | |
| 129 | S | A | -0.5776 | |
| 130 | T | A | -0.5583 | |
| 131 | K | A | -1.1184 | |
| 132 | G | A | -1.3914 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | -0.1695 | |
| 135 | V | A | 0.0000 | |
| 136 | F | A | -0.5706 | |
| 137 | P | A | -1.1421 | |
| 138 | L | A | 0.0000 | |
| 139 | A | A | -1.2450 | |
| 140 | P | A | 0.0000 | |
| 141 | S | A | -1.5258 | |
| 142 | S | A | -1.8484 | |
| 143 | K | A | -2.0545 | |
| 144 | S | A | -1.3399 | |
| 145 | T | A | -0.7855 | |
| 146 | S | A | -0.7541 | |
| 147 | G | A | -1.0420 | |
| 148 | G | A | -0.9097 | |
| 149 | T | A | -0.6397 | |
| 150 | A | A | 0.0000 | |
| 151 | A | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | C | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | K | A | 0.0000 | |
| 158 | D | A | -0.3598 | |
| 159 | Y | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | E | A | -0.5457 | |
| 163 | P | A | -0.8414 | |
| 164 | V | A | -0.8690 | |
| 165 | T | A | -0.7563 | |
| 166 | V | A | -0.4098 | |
| 167 | S | A | -0.3806 | |
| 168 | W | A | 0.0000 | |
| 169 | N | A | -0.6615 | |
| 170 | S | A | -0.5527 | |
| 171 | G | A | -0.3928 | |
| 172 | A | A | -0.1760 | |
| 173 | L | A | 0.0525 | |
| 174 | T | A | -0.1516 | |
| 175 | S | A | -0.2086 | |
| 176 | G | A | -0.2681 | |
| 177 | V | A | 0.1435 | |
| 178 | H | A | -0.2738 | |
| 179 | T | A | -0.0066 | |
| 180 | F | A | 0.0000 | |
| 181 | P | A | -0.2813 | |
| 182 | A | A | 0.2202 | |
| 183 | V | A | 0.5848 | |
| 184 | L | A | 1.0801 | |
| 185 | Q | A | 0.2684 | |
| 186 | S | A | -0.0660 | |
| 187 | S | A | -0.1894 | |
| 188 | G | A | 0.0413 | |
| 189 | L | A | 0.1401 | |
| 190 | Y | A | 0.3858 | |
| 191 | S | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | S | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -0.1355 | |
| 198 | V | A | 0.0000 | |
| 199 | P | A | -0.5710 | |
| 200 | S | A | -0.9624 | |
| 201 | S | A | -0.8703 | |
| 202 | S | A | -0.7057 | |
| 203 | L | A | 0.0000 | |
| 204 | G | A | -1.0453 | |
| 205 | T | A | -0.7423 | |
| 206 | Q | A | -1.1651 | |
| 207 | T | A | -1.1188 | |
| 208 | Y | A | 0.0000 | |
| 209 | I | A | -1.1605 | |
| 210 | C | A | 0.0000 | |
| 211 | N | A | -1.4886 | |
| 212 | V | A | 0.0000 | |
| 213 | N | A | -2.4156 | |
| 214 | H | A | 0.0000 | |
| 215 | K | A | -2.8894 | |
| 216 | P | A | -1.6390 | |
| 217 | S | A | -1.8645 | |
| 218 | N | A | -2.6807 | |
| 219 | T | A | -2.1857 | |
| 220 | K | A | -2.8537 | |
| 221 | V | A | -1.6028 | |
| 222 | D | A | -2.2496 | |
| 223 | K | A | -1.9937 | |
| 224 | K | A | -2.4477 | |
| 225 | V | A | 0.0000 | |
| 226 | E | A | -2.8954 | |
| 227 | P | A | -2.2854 | |
| 228 | K | A | -2.3275 | |
| 229 | S | A | -1.2537 | |
| 230 | C | A | -0.1026 | |
| 1 | E | B | -1.5667 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.7376 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.5823 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.6682 | |
| 8 | P | B | -0.4304 | |
| 9 | G | B | -0.7790 | |
| 10 | T | B | -0.3408 | |
| 11 | L | B | -0.1242 | |
| 12 | S | B | -0.3932 | |
| 13 | L | B | -0.9206 | |
| 14 | S | B | -1.5833 | |
| 15 | P | B | -2.1539 | |
| 16 | G | B | -2.4300 | |
| 17 | E | B | -2.9184 | |
| 18 | R | B | -3.2827 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.5292 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.8685 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -1.9601 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -0.9796 | |
| 27 | Q | B | -1.7235 | |
| 28 | S | B | -1.3672 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -0.4689 | |
| 31 | S | B | -0.3757 | |
| 32 | S | B | -0.4692 | |
| 33 | Y | B | 0.0588 | |
| 34 | L | B | 0.0000 | |
| 35 | A | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | Y | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | Q | B | 0.0000 | |
| 40 | K | B | -1.2402 | |
| 41 | P | B | -1.2608 | |
| 42 | G | B | -1.4396 | |
| 43 | Q | B | -2.0281 | |
| 44 | A | B | -1.4886 | |
| 45 | P | B | 0.0000 | |
| 46 | R | B | -1.2342 | |
| 47 | L | B | -0.5379 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | Y | B | 0.0471 | |
| 51 | G | B | -0.2174 | |
| 52 | A | B | 0.0000 | |
| 53 | S | B | -0.5892 | |
| 54 | S | B | -0.5808 | |
| 55 | R | B | -1.2803 | |
| 56 | A | B | -0.6883 | |
| 57 | T | B | -0.5313 | |
| 58 | G | B | -0.7719 | |
| 59 | I | B | -0.7781 | |
| 60 | P | B | -1.2125 | |
| 61 | D | B | -2.3323 | |
| 62 | R | B | -2.0056 | |
| 63 | F | B | 0.0000 | |
| 64 | S | B | -0.8809 | |
| 65 | G | B | -0.4931 | |
| 66 | S | B | -0.8009 | |
| 67 | G | B | -1.2583 | |
| 68 | S | B | -1.1880 | |
| 69 | G | B | -1.3047 | |
| 70 | T | B | -1.9011 | |
| 71 | D | B | -2.6729 | |
| 72 | F | B | 0.0000 | |
| 73 | T | B | -0.8461 | |
| 74 | L | B | 0.0000 | |
| 75 | T | B | -0.8052 | |
| 76 | I | B | 0.0000 | |
| 77 | S | B | -2.4433 | |
| 78 | R | B | -3.6132 | |
| 79 | L | B | 0.0000 | |
| 80 | E | B | -2.6797 | |
| 81 | P | B | -1.6596 | |
| 82 | E | B | -2.2989 | |
| 83 | D | B | 0.0000 | |
| 84 | F | B | -0.5849 | |
| 85 | A | B | 0.0000 | |
| 86 | V | B | -0.0788 | |
| 87 | Y | B | 0.0000 | |
| 88 | Y | B | 0.0000 | |
| 89 | C | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | Q | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | G | B | 0.0000 | |
| 94 | S | B | -0.7360 | |
| 95 | S | B | -0.4262 | |
| 96 | P | B | 0.0000 | |
| 97 | C | B | 0.0000 | |
| 98 | T | B | -0.1749 | |
| 99 | F | B | 0.0181 | |
| 100 | G | B | 0.0000 | |
| 101 | Q | B | -1.4874 | |
| 102 | G | B | 0.0000 | |
| 103 | T | B | 0.0000 | |
| 104 | R | B | -0.5059 | |
| 105 | L | B | 0.0000 | |
| 106 | E | B | 0.0000 | |
| 107 | I | B | -0.7462 | |
| 108 | K | B | -1.1665 | |
| 109 | R | B | -0.8585 | |
| 110 | T | B | 0.2754 | |
| 111 | V | B | 1.2508 | |
| 112 | A | B | 0.6737 | |
| 113 | A | B | 0.3680 | |
| 114 | P | B | 0.0973 | |
| 115 | S | B | -0.1887 | |
| 116 | V | B | 0.0025 | |
| 117 | F | B | 0.0871 | |
| 118 | I | B | 0.1479 | |
| 119 | F | B | 0.0000 | |
| 120 | P | B | -0.4465 | |
| 121 | P | B | 0.0000 | |
| 122 | S | B | -1.6304 | |
| 123 | D | B | -2.7124 | |
| 124 | E | B | -2.5518 | |
| 125 | Q | B | 0.0000 | |
| 126 | L | B | -2.1776 | |
| 127 | K | B | -2.6675 | |
| 128 | S | B | -1.6427 | |
| 129 | G | B | -1.3471 | |
| 130 | T | B | -0.9826 | |
| 131 | A | B | 0.0000 | |
| 132 | S | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | V | B | 0.0000 | |
| 135 | C | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | L | B | 0.0000 | |
| 138 | N | B | 0.0000 | |
| 139 | N | B | -0.8355 | |
| 140 | F | B | 0.0000 | |
| 141 | Y | B | 0.0000 | |
| 142 | P | B | -1.3323 | |
| 143 | R | B | -2.7967 | |
| 144 | E | B | -3.0940 | |
| 145 | A | B | -2.2682 | |
| 146 | K | B | -2.4037 | |
| 147 | V | B | -1.1952 | |
| 148 | Q | B | -0.6712 | |
| 149 | W | B | 0.0000 | |
| 150 | K | B | -0.5662 | |
| 151 | V | B | 0.0000 | |
| 152 | D | B | -1.4263 | |
| 153 | N | B | -1.3470 | |
| 154 | A | B | -0.2844 | |
| 155 | L | B | 0.3660 | |
| 156 | Q | B | -0.2864 | |
| 157 | S | B | -0.4880 | |
| 158 | G | B | -0.8614 | |
| 159 | N | B | -0.7527 | |
| 160 | S | B | -0.9708 | |
| 161 | Q | B | -1.1091 | |
| 162 | E | B | -1.4101 | |
| 163 | S | B | -0.5741 | |
| 164 | V | B | -0.6755 | |
| 165 | T | B | -1.0074 | |
| 166 | E | B | -1.9435 | |
| 167 | Q | B | -1.6984 | |
| 168 | D | B | -1.8828 | |
| 169 | S | B | -1.9448 | |
| 170 | K | B | -2.3917 | |
| 171 | D | B | -2.0027 | |
| 172 | S | B | -1.7335 | |
| 173 | T | B | 0.0000 | |
| 174 | Y | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | S | B | 0.0000 | |
| 179 | T | B | -0.5284 | |
| 180 | L | B | 0.0000 | |
| 181 | T | B | -0.4172 | |
| 182 | L | B | -0.6531 | |
| 183 | S | B | -1.0431 | |
| 184 | K | B | -2.0671 | |
| 185 | A | B | -1.8577 | |
| 186 | D | B | -2.5492 | |
| 187 | Y | B | 0.0000 | |
| 188 | E | B | -3.2560 | |
| 189 | K | B | -3.4287 | |
| 190 | H | B | -2.6805 | |
| 191 | K | B | -2.8563 | |
| 192 | V | B | -0.9265 | |
| 193 | Y | B | 0.0000 | |
| 194 | A | B | 0.0000 | |
| 195 | C | B | 0.0000 | |
| 196 | E | B | -0.7669 | |
| 197 | V | B | 0.0000 | |
| 198 | T | B | -1.0986 | |
| 199 | Q | B | -1.1122 | |
| 200 | G | B | -1.0693 | |
| 201 | T | B | -0.4257 | |
| 202 | T | B | -0.2931 | |
| 203 | S | B | -0.4967 | |
| 204 | V | B | 0.0610 | |
| 205 | T | B | -0.4093 | |
| 206 | K | B | -0.7578 | |
| 207 | S | B | -0.4810 | |
| 208 | F | B | -0.7573 | |
| 209 | N | B | -1.7285 | |
| 210 | R | B | -2.2643 | |
| 211 | G | B | -1.9645 | |
| 212 | E | B | -2.0917 | |
| 213 | C | B | -0.6789 | |
| 60 | P | C | -1.5266 | |
| 61 | K | C | -2.7959 | |
| 62 | R | C | -2.9775 | |
| 63 | S | C | -1.6725 | |
| 64 | S | C | -1.1746 | |
| 65 | D | C | -1.1407 | |
| 66 | Y | C | 0.0977 | |
| 67 | Y | C | -0.6824 | |
| 68 | N | C | -2.0172 | |
| 69 | R | C | -1.9799 | |
| 70 | S | C | -0.7265 | |
| 71 | T | C | -0.4827 | |
| 72 | S | C | 0.0000 | |
| 73 | P | C | 0.0000 | |
| 74 | W | C | -1.4935 | |
| 75 | N | C | -2.1479 | |
| 76 | L | C | -0.9556 | |
| 77 | H | C | -1.9042 | |
| 78 | R | C | -2.3680 | |
| 79 | N | C | -2.3694 | |
| 80 | E | C | -2.9056 | |
| 81 | D | C | -2.3613 | |
| 82 | P | C | -1.5520 | |
| 83 | E | C | -1.5924 | |
| 84 | R | C | -0.8548 | |
| 85 | Y | C | 0.2951 | |
| 86 | P | C | 0.0369 | |
| 87 | S | C | -1.0222 | |
| 88 | V | C | -0.5920 | |
| 89 | I | C | 0.0000 | |
| 90 | W | C | -0.0789 | |
| 91 | E | C | -0.6646 | |
| 92 | A | C | 0.0000 | |
| 93 | K | C | -1.9776 | |
| 94 | C | C | -1.2624 | |
| 95 | R | C | -2.0409 | |
| 96 | H | C | -0.6836 | |
| 97 | L | C | 0.3697 | |
| 98 | G | C | 0.0000 | |
| 99 | C | C | 0.0000 | |
| 100 | I | C | -0.6140 | |
| 101 | N | C | -1.1450 | |
| 102 | A | C | -1.2274 | |
| 103 | D | C | -2.3137 | |
| 104 | G | C | -1.7971 | |
| 105 | N | C | -1.7172 | |
| 106 | V | C | -0.6146 | |
| 107 | D | C | -0.4187 | |
| 108 | Y | C | -0.1056 | |
| 109 | H | C | 0.0518 | |
| 110 | M | C | 0.3960 | |
| 111 | N | C | 0.0000 | |
| 112 | S | C | 0.2383 | |
| 113 | V | C | 0.2095 | |
| 114 | P | C | 0.1339 | |
| 115 | I | C | 0.6459 | |
| 116 | Q | C | -0.8755 | |
| 117 | Q | C | -1.4821 | |
| 118 | E | C | -1.8612 | |
| 119 | I | C | -0.4190 | |
| 120 | L | C | 0.5312 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | -0.2953 | |
| 123 | R | C | -1.3921 | |
| 124 | R | C | 0.0000 | |
| 125 | E | C | -2.3748 | |
| 126 | P | C | -1.5715 | |
| 127 | P | C | -1.5109 | |
| 128 | H | C | -1.4092 | |
| 129 | C | C | -0.8995 | |
| 130 | P | C | -1.1676 | |
| 131 | N | C | -1.2742 | |
| 132 | S | C | -1.0722 | |
| 133 | F | C | -1.0493 | |
| 134 | R | C | -1.8969 | |
| 135 | L | C | -0.8339 | |
| 136 | E | C | -1.9315 | |
| 137 | K | C | -1.6177 | |
| 138 | I | C | -0.1893 | |
| 139 | L | C | 0.1690 | |
| 140 | V | C | 0.0000 | |
| 141 | S | C | 0.1145 | |
| 142 | V | C | 1.0525 | |
| 143 | G | C | 0.0000 | |
| 144 | C | C | 0.0000 | |
| 145 | T | C | 0.5441 | |
| 146 | C | C | 0.6059 | |
| 147 | V | C | 0.6748 | |
| 148 | T | C | 0.2195 | |
| 149 | P | C | 0.0000 | |
| 150 | I | C | 0.0000 | |
| 151 | V | C | 0.0388 | |
| 152 | H | C | -0.7711 | |
| 153 | H | C | -0.6016 | |
| 154 | V | C | 0.3356 | |
| 155 | A | C | -0.5788 | |
| 156 | H | C | -1.9788 | |
| 157 | H | C | -2.2612 | |
| 158 | H | C | -2.2027 | |
| 159 | H | C | -2.4758 | |
| 160 | H | C | -2.4606 | |
| 161 | H | C | -1.9911 |
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 | -0.7484 | 4.0832 | View | CSV | PDB |
| 4.5 | -0.7951 | 3.9401 | View | CSV | PDB |
| 5.0 | -0.8508 | 3.7793 | View | CSV | PDB |
| 5.5 | -0.9033 | 3.612 | View | CSV | PDB |
| 6.0 | -0.9395 | 3.4426 | View | CSV | PDB |
| 6.5 | -0.9505 | 3.2728 | View | CSV | PDB |
| 7.0 | -0.938 | 3.1036 | View | CSV | PDB |
| 7.5 | -0.9119 | 2.9372 | View | CSV | PDB |
| 8.0 | -0.8795 | 2.7789 | View | CSV | PDB |
| 8.5 | -0.8421 | 2.6417 | View | CSV | PDB |
| 9.0 | -0.7993 | 2.5439 | 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