| Chain sequence(s) |
A: MGSSHHHHHHSSGENLYFQGGTMWLLLSPTRLEAPFLQGEPFAFLAWRGLKGPGFVYLETGIGKVNAAMALAAYAARNPVEKALLFGLAGAYPGGPSLGEAVLVEEEVEADLGLKEGLAPLGFPALALGERRYFNRFPLDPGLTGELARGLGLKVAVGLTRDLVSETPEEALALAQRWGASLENMEGAAFARACLALGVRGAELRAISDPAGVREKAHWRTKEALSALARAVRRLLAEEGGARRPPG
B: MGSSHHHHHHSSGENLYFQGGTMWLLLSPTRLEAPFLQGEPFAFLAWRGLKGPGFVYLETGIGKVNAAMALAAYAARNPVEKALLFGLAGAYPGGPSLGEAVLVEEEVEADLGLKEGLAPLGFPALALGERRYFNRFPLDPGLTGELARGLGLKVAVGLTRDLVSETPEEALALAQRWGASLENMEGAAFARACLALGVRGAELRAISDPAGVREKAHWRTKEALSALARAVRRLLAEEGGARRPPG 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 globular. Max 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 (00:05:30)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2d4aac60961b2ea/tmp/folded.pdb (00:05:30)
[INFO] Main: Simulation completed successfully. (00:07:25)
|
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 | 0.7443 | |
| 2 | G | A | -0.2525 | |
| 3 | S | A | -0.6919 | |
| 4 | S | A | -1.2243 | |
| 5 | H | A | -2.1409 | |
| 6 | H | A | -2.4908 | |
| 7 | H | A | -2.7427 | |
| 8 | H | A | -2.7394 | |
| 9 | H | A | -2.5177 | |
| 10 | H | A | -2.1787 | |
| 11 | S | A | -1.6994 | |
| 12 | S | A | -1.8475 | |
| 13 | G | A | -1.8285 | |
| 14 | E | A | -2.0320 | |
| 15 | N | A | -1.0295 | |
| 16 | L | A | 0.9756 | |
| 17 | Y | A | 1.3889 | |
| 18 | F | A | 1.0640 | |
| 19 | Q | A | -0.4876 | |
| 20 | G | A | -0.8178 | |
| 21 | G | A | -1.1646 | |
| 22 | T | A | -0.7797 | |
| 23 | M | A | -0.3858 | |
| 24 | W | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | P | A | 0.0000 | |
| 30 | T | A | 0.0000 | |
| 31 | R | A | -1.5808 | |
| 32 | L | A | 0.3585 | |
| 33 | E | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | P | A | -0.4062 | |
| 36 | F | A | -0.7170 | |
| 37 | L | A | 0.0000 | |
| 38 | Q | A | -1.8478 | |
| 39 | G | A | -2.0699 | |
| 40 | E | A | -2.5150 | |
| 41 | P | A | -1.6781 | |
| 42 | F | A | -0.7510 | |
| 43 | A | A | -0.1878 | |
| 44 | F | A | 0.3431 | |
| 45 | L | A | 0.8474 | |
| 46 | A | A | 0.2640 | |
| 47 | W | A | 0.0000 | |
| 48 | R | A | -1.8362 | |
| 49 | G | A | 0.0000 | |
| 50 | L | A | -1.5883 | |
| 51 | K | A | -1.9271 | |
| 52 | G | A | -1.4632 | |
| 53 | P | A | -0.7617 | |
| 54 | G | A | -0.6484 | |
| 55 | F | A | 0.0000 | |
| 56 | V | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | E | A | -1.1762 | |
| 60 | T | A | 0.0000 | |
| 61 | G | A | -0.4435 | |
| 62 | I | A | 0.0000 | |
| 63 | G | A | 0.0000 | |
| 64 | K | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | N | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | M | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | Y | A | -0.5901 | |
| 75 | A | A | -0.9419 | |
| 76 | A | A | 0.0000 | |
| 77 | R | A | -2.5007 | |
| 78 | N | A | -1.6046 | |
| 79 | P | A | -1.0621 | |
| 80 | V | A | -1.2846 | |
| 81 | E | A | -2.2533 | |
| 82 | K | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | L | A | 0.3833 | |
| 89 | A | A | 0.0000 | |
| 90 | G | A | 0.0888 | |
| 91 | A | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | P | A | -0.4038 | |
| 94 | G | A | -0.5533 | |
| 95 | G | A | -0.4642 | |
| 96 | P | A | -0.3953 | |
| 97 | S | A | -0.2197 | |
| 98 | L | A | -0.2323 | |
| 99 | G | A | -1.0583 | |
| 100 | E | A | -0.8122 | |
| 101 | A | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.5438 | |
| 106 | E | A | -1.1387 | |
| 107 | E | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | E | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | D | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | G | A | 0.0000 | |
| 114 | L | A | -1.0426 | |
| 115 | K | A | -2.4484 | |
| 116 | E | A | -2.8149 | |
| 117 | G | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | A | A | -0.1788 | |
| 120 | P | A | -0.3882 | |
| 121 | L | A | 0.6219 | |
| 122 | G | A | 0.0730 | |
| 123 | F | A | 0.3142 | |
| 124 | P | A | -0.2380 | |
| 125 | A | A | 0.0000 | |
| 126 | L | A | -0.2785 | |
| 127 | A | A | -1.1726 | |
| 128 | L | A | -1.1761 | |
| 129 | G | A | -1.9234 | |
| 130 | E | A | -3.1897 | |
| 131 | R | A | -3.4681 | |
| 132 | R | A | -2.8076 | |
| 133 | Y | A | 0.0000 | |
| 134 | F | A | -0.0174 | |
| 135 | N | A | 0.0000 | |
| 136 | R | A | -1.1375 | |
| 137 | F | A | 0.0000 | |
| 138 | P | A | -0.9246 | |
| 139 | L | A | 0.0000 | |
| 140 | D | A | -1.4032 | |
| 141 | P | A | -1.5264 | |
| 142 | G | A | -1.4226 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | 0.0000 | |
| 145 | G | A | -1.9342 | |
| 146 | E | A | -2.7937 | |
| 147 | L | A | 0.0000 | |
| 148 | A | A | -2.0050 | |
| 149 | R | A | -3.0236 | |
| 150 | G | A | -2.3607 | |
| 151 | L | A | 0.0000 | |
| 152 | G | A | -1.5404 | |
| 153 | L | A | -1.0060 | |
| 154 | K | A | -1.4698 | |
| 155 | V | A | 0.1701 | |
| 156 | A | A | -0.0546 | |
| 157 | V | A | -0.1641 | |
| 158 | G | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | R | A | 0.0481 | |
| 162 | D | A | 0.0000 | |
| 163 | L | A | 0.1125 | |
| 164 | V | A | 0.1772 | |
| 165 | S | A | 0.0000 | |
| 166 | E | A | -0.9801 | |
| 167 | T | A | -0.9095 | |
| 168 | P | A | -1.0216 | |
| 169 | E | A | -1.5627 | |
| 170 | E | A | -0.7818 | |
| 171 | A | A | 0.0000 | |
| 172 | L | A | -0.0137 | |
| 173 | A | A | -0.7699 | |
| 174 | L | A | -0.7770 | |
| 175 | A | A | -0.9710 | |
| 176 | Q | A | -1.7898 | |
| 177 | R | A | -2.4240 | |
| 178 | W | A | -1.5607 | |
| 179 | G | A | -1.2184 | |
| 180 | A | A | 0.0000 | |
| 181 | S | A | -0.0959 | |
| 182 | L | A | 0.0000 | |
| 183 | E | A | 0.0000 | |
| 184 | N | A | 0.0000 | |
| 185 | M | A | 0.2196 | |
| 186 | E | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | R | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | L | A | 0.0050 | |
| 196 | A | A | 0.4862 | |
| 197 | L | A | 0.0419 | |
| 198 | G | A | -0.7666 | |
| 199 | V | A | 0.0000 | |
| 200 | R | A | -2.3651 | |
| 201 | G | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | E | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | R | A | 0.0000 | |
| 206 | A | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | D | A | -1.0723 | |
| 210 | P | A | -0.7344 | |
| 211 | A | A | -0.3858 | |
| 212 | G | A | 0.0000 | |
| 213 | V | A | -1.7924 | |
| 214 | R | A | -3.1294 | |
| 215 | E | A | -3.5956 | |
| 216 | K | A | -3.2949 | |
| 217 | A | A | -2.0054 | |
| 218 | H | A | -2.1259 | |
| 219 | W | A | -2.0536 | |
| 220 | R | A | -2.0833 | |
| 221 | T | A | -1.8430 | |
| 222 | K | A | -2.6946 | |
| 223 | E | A | -2.7050 | |
| 224 | A | A | 0.0000 | |
| 225 | L | A | -1.1367 | |
| 226 | S | A | -1.5101 | |
| 227 | A | A | -1.3352 | |
| 228 | L | A | 0.0000 | |
| 229 | A | A | -1.6653 | |
| 230 | R | A | -2.7096 | |
| 231 | A | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | R | A | -3.2295 | |
| 234 | R | A | -3.2541 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | A | A | -2.5143 | |
| 238 | E | A | -3.6052 | |
| 239 | E | A | -2.4592 | |
| 240 | G | A | -2.0884 | |
| 241 | G | A | -2.3469 | |
| 242 | A | A | -2.4819 | |
| 243 | R | A | -3.5557 | |
| 244 | R | A | -3.2718 | |
| 245 | P | A | -1.9435 | |
| 246 | P | A | -1.4073 | |
| 247 | G | A | -0.9863 | |
| 1 | M | B | 0.7437 | |
| 2 | G | B | -0.2535 | |
| 3 | S | B | -0.6916 | |
| 4 | S | B | -1.2256 | |
| 5 | H | B | -2.1426 | |
| 6 | H | B | -2.4893 | |
| 7 | H | B | -2.7418 | |
| 8 | H | B | -2.7389 | |
| 9 | H | B | -2.5154 | |
| 10 | H | B | -2.1802 | |
| 11 | S | B | -1.6947 | |
| 12 | S | B | -1.8397 | |
| 13 | G | B | -1.8385 | |
| 14 | E | B | -2.0338 | |
| 15 | N | B | -0.9891 | |
| 16 | L | B | 1.0616 | |
| 17 | Y | B | 1.5256 | |
| 18 | F | B | 1.3246 | |
| 19 | Q | B | -0.3975 | |
| 20 | G | B | -0.7519 | |
| 21 | G | B | -1.1430 | |
| 22 | T | B | -0.7825 | |
| 23 | M | B | -0.3823 | |
| 24 | W | B | 0.0000 | |
| 25 | L | B | 0.0000 | |
| 26 | L | B | 0.0000 | |
| 27 | L | B | 0.0000 | |
| 28 | S | B | 0.0000 | |
| 29 | P | B | 0.0000 | |
| 30 | T | B | -0.4127 | |
| 31 | R | B | -1.4287 | |
| 32 | L | B | 0.6428 | |
| 33 | E | B | 0.0000 | |
| 34 | A | B | 0.0000 | |
| 35 | P | B | -0.3447 | |
| 36 | F | B | -0.7214 | |
| 37 | L | B | 0.0000 | |
| 38 | Q | B | -1.8427 | |
| 39 | G | B | -2.0352 | |
| 40 | E | B | -2.4718 | |
| 41 | P | B | -1.6359 | |
| 42 | F | B | -0.6624 | |
| 43 | A | B | -0.0983 | |
| 44 | F | B | 0.4806 | |
| 45 | L | B | 1.1349 | |
| 46 | A | B | 0.4141 | |
| 47 | W | B | 0.0000 | |
| 48 | R | B | -1.7622 | |
| 49 | G | B | 0.0000 | |
| 50 | L | B | -1.5239 | |
| 51 | K | B | -1.8218 | |
| 52 | G | B | -1.4082 | |
| 53 | P | B | -0.6990 | |
| 54 | G | B | -0.5906 | |
| 55 | F | B | 0.0000 | |
| 56 | V | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | E | B | -1.0740 | |
| 60 | T | B | 0.0000 | |
| 61 | G | B | -0.4551 | |
| 62 | I | B | 0.0000 | |
| 63 | G | B | 0.0000 | |
| 64 | K | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | N | B | 0.0000 | |
| 67 | A | B | 0.0000 | |
| 68 | A | B | 0.0000 | |
| 69 | M | B | 0.0000 | |
| 70 | A | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | A | B | 0.0000 | |
| 73 | A | B | 0.0000 | |
| 74 | Y | B | -0.5498 | |
| 75 | A | B | -0.9714 | |
| 76 | A | B | 0.0000 | |
| 77 | R | B | -2.4871 | |
| 78 | N | B | -1.5967 | |
| 79 | P | B | -1.0628 | |
| 80 | V | B | -1.2000 | |
| 81 | E | B | -2.0936 | |
| 82 | K | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | L | B | 0.0000 | |
| 85 | L | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | G | B | 0.0000 | |
| 88 | L | B | 0.4032 | |
| 89 | A | B | 0.0000 | |
| 90 | G | B | 0.0880 | |
| 91 | A | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | P | B | -0.3933 | |
| 94 | G | B | -0.5486 | |
| 95 | G | B | -0.4643 | |
| 96 | P | B | -0.3832 | |
| 97 | S | B | -0.2080 | |
| 98 | L | B | -0.2550 | |
| 99 | G | B | -1.1090 | |
| 100 | E | B | -0.8434 | |
| 101 | A | B | 0.0000 | |
| 102 | V | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | V | B | 0.0000 | |
| 105 | E | B | -1.4606 | |
| 106 | E | B | -1.0884 | |
| 107 | E | B | 0.0000 | |
| 108 | V | B | 0.0000 | |
| 109 | E | B | 0.0000 | |
| 110 | A | B | 0.0000 | |
| 111 | D | B | 0.0000 | |
| 112 | L | B | 0.0000 | |
| 113 | G | B | 0.0000 | |
| 114 | L | B | 0.0000 | |
| 115 | K | B | -2.1260 | |
| 116 | E | B | -2.6796 | |
| 117 | G | B | 0.0000 | |
| 118 | L | B | 0.0000 | |
| 119 | A | B | -0.0949 | |
| 120 | P | B | -0.2902 | |
| 121 | L | B | 0.6518 | |
| 122 | G | B | 0.2805 | |
| 123 | F | B | 0.7901 | |
| 124 | P | B | -0.0320 | |
| 125 | A | B | 0.0000 | |
| 126 | L | B | -0.2366 | |
| 127 | A | B | -1.1429 | |
| 128 | L | B | -1.2073 | |
| 129 | G | B | -1.9359 | |
| 130 | E | B | -3.1991 | |
| 131 | R | B | -3.4867 | |
| 132 | R | B | -2.7665 | |
| 133 | Y | B | 0.0000 | |
| 134 | F | B | 0.0619 | |
| 135 | N | B | 0.0000 | |
| 136 | R | B | -1.0821 | |
| 137 | F | B | 0.0000 | |
| 138 | P | B | -0.8933 | |
| 139 | L | B | 0.0000 | |
| 140 | D | B | -1.1827 | |
| 141 | P | B | -1.4184 | |
| 142 | G | B | -1.3217 | |
| 143 | L | B | 0.0000 | |
| 144 | T | B | 0.0000 | |
| 145 | G | B | -1.9147 | |
| 146 | E | B | -2.7921 | |
| 147 | L | B | 0.0000 | |
| 148 | A | B | -1.9822 | |
| 149 | R | B | -3.0239 | |
| 150 | G | B | -2.3873 | |
| 151 | L | B | 0.0000 | |
| 152 | G | B | -1.5336 | |
| 153 | L | B | -0.9941 | |
| 154 | K | B | -1.4348 | |
| 155 | V | B | 0.2450 | |
| 156 | A | B | -0.0146 | |
| 157 | V | B | -0.1437 | |
| 158 | G | B | 0.0000 | |
| 159 | L | B | 0.0000 | |
| 160 | T | B | 0.0000 | |
| 161 | R | B | 0.0000 | |
| 162 | D | B | 0.0000 | |
| 163 | L | B | 0.1068 | |
| 164 | V | B | 0.1599 | |
| 165 | S | B | 0.0000 | |
| 166 | E | B | -1.0444 | |
| 167 | T | B | -0.9188 | |
| 168 | P | B | -1.0109 | |
| 169 | E | B | -1.5399 | |
| 170 | E | B | -0.7629 | |
| 171 | A | B | 0.0000 | |
| 172 | L | B | 0.0486 | |
| 173 | A | B | -0.7087 | |
| 174 | L | B | -0.7439 | |
| 175 | A | B | -0.9513 | |
| 176 | Q | B | -1.7728 | |
| 177 | R | B | -2.4180 | |
| 178 | W | B | -1.5696 | |
| 179 | G | B | -1.2272 | |
| 180 | A | B | 0.0000 | |
| 181 | S | B | -0.0925 | |
| 182 | L | B | 0.0000 | |
| 183 | E | B | 0.0000 | |
| 184 | N | B | 0.0000 | |
| 185 | M | B | 0.2658 | |
| 186 | E | B | 0.0000 | |
| 187 | G | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | A | B | 0.0000 | |
| 190 | F | B | 0.0000 | |
| 191 | A | B | 0.0000 | |
| 192 | R | B | 0.0000 | |
| 193 | A | B | 0.0000 | |
| 194 | C | B | 0.0000 | |
| 195 | L | B | 0.0972 | |
| 196 | A | B | 0.4199 | |
| 197 | L | B | 0.0300 | |
| 198 | G | B | -0.6682 | |
| 199 | V | B | 0.0000 | |
| 200 | R | B | -1.7345 | |
| 201 | G | B | 0.0000 | |
| 202 | A | B | 0.0000 | |
| 203 | E | B | 0.0000 | |
| 204 | L | B | 0.0000 | |
| 205 | R | B | 0.0000 | |
| 206 | A | B | 0.0000 | |
| 207 | I | B | 0.0000 | |
| 208 | S | B | 0.0000 | |
| 209 | D | B | -1.0927 | |
| 210 | P | B | -0.7470 | |
| 211 | A | B | 0.0000 | |
| 212 | G | B | 0.0000 | |
| 213 | V | B | -1.8253 | |
| 214 | R | B | -3.1554 | |
| 215 | E | B | -3.6176 | |
| 216 | K | B | -3.3340 | |
| 217 | A | B | -2.0542 | |
| 218 | H | B | -2.2079 | |
| 219 | W | B | -2.1454 | |
| 220 | R | B | -2.2144 | |
| 221 | T | B | -1.9125 | |
| 222 | K | B | -2.7575 | |
| 223 | E | B | -2.8083 | |
| 224 | A | B | 0.0000 | |
| 225 | L | B | -1.1322 | |
| 226 | S | B | -1.5386 | |
| 227 | A | B | -1.3563 | |
| 228 | L | B | 0.0000 | |
| 229 | A | B | -1.6986 | |
| 230 | R | B | -2.7471 | |
| 231 | A | B | 0.0000 | |
| 232 | V | B | 0.0000 | |
| 233 | R | B | -3.2348 | |
| 234 | R | B | -3.3334 | |
| 235 | L | B | 0.0000 | |
| 236 | L | B | -1.8768 | |
| 237 | A | B | -2.4831 | |
| 238 | E | B | -3.4040 | |
| 239 | E | B | -2.5013 | |
| 240 | G | B | -2.2162 | |
| 241 | G | B | -2.3690 | |
| 242 | A | B | -2.5025 | |
| 243 | R | B | -3.5520 | |
| 244 | R | B | -3.0918 | |
| 245 | P | B | -1.9527 | |
| 246 | P | B | -1.4094 | |
| 247 | G | B | -0.9854 |
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 | -0.7698 | 3.6016 | View | CSV | PDB |
| 4.5 | -0.8095 | 3.6016 | View | CSV | PDB |
| 5.0 | -0.8604 | 3.6016 | View | CSV | PDB |
| 5.5 | -0.9092 | 3.6016 | View | CSV | PDB |
| 6.0 | -0.9414 | 3.6016 | View | CSV | PDB |
| 6.5 | -0.9495 | 3.6016 | View | CSV | PDB |
| 7.0 | -0.938 | 3.6015 | View | CSV | PDB |
| 7.5 | -0.917 | 3.6014 | View | CSV | PDB |
| 8.0 | -0.8926 | 3.6011 | View | CSV | PDB |
| 8.5 | -0.8671 | 3.6001 | View | CSV | PDB |
| 9.0 | -0.8411 | 3.5968 | 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