Calculation Parameters
| Chain Sequence(s) |
QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYTMHWVRQAPGKGLEWVTFISYDGNNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARTGWLGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPEIVLTQSPGTLSLSPGERATLSCRASQSVGSSYLAWYQQKPGQAPRLLIYGAFSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
input.pdb
|
| Selected Chain(s) | h (Heavy), l (Light) |
| Distance of Aggregation | 10 Å |
| FoldX Energy Minimization | Yes |
| pH Calculations | Yes |
| Downloads | Download all data (.tar.gz) |
Aggrescan4D Profile
Per-Residue A4D Scores
Download CSVResidues with A4D score > 0.0 are highlighted as aggregation-prone.
| Index | Residue | Chain | A4D Score | Classification |
|---|---|---|---|---|
| 1 | Q | h | -1.3565 | Soluble |
| 2 | V | h | -0.6129 | Soluble |
| 3 | Q | h | -0.5894 | Soluble |
| 4 | L | h | 0.0000 | Buried |
| 5 | V | h | 0.8741 | Aggregation-prone |
| 6 | E | h | 0.0000 | Buried |
| 7 | S | h | -0.4050 | Soluble |
| 8 | G | h | -0.8189 | Soluble |
| 9 | G | h | -0.4292 | Soluble |
| 11 | G | h | -0.0028 | Soluble |
| 12 | V | h | 0.2417 | Aggregation-prone |
| 13 | V | h | 0.0000 | Buried |
| 14 | Q | h | -1.6727 | Soluble |
| 15 | P | h | -2.1986 | Soluble |
| 16 | G | h | -2.3022 | Soluble |
| 17 | R | h | -2.7965 | Soluble |
| 18 | S | h | -2.1020 | Soluble |
| 19 | L | h | -1.4194 | Soluble |
| 20 | R | h | -2.0005 | Soluble |
| 21 | L | h | 0.0000 | Buried |
| 22 | S | h | -0.3553 | Soluble |
| 23 | C | h | 0.0000 | Buried |
| 24 | A | h | -0.1315 | Soluble |
| 25 | A | h | 0.0000 | Buried |
| 26 | S | h | -0.6323 | Soluble |
| 27 | G | h | -0.8870 | Soluble |
| 28 | F | h | -0.3337 | Soluble |
| 29 | T | h | -0.2095 | Soluble |
| 30 | F | h | 0.0000 | Buried |
| 35 | S | h | -0.5512 | Soluble |
| 36 | S | h | 0.0417 | Aggregation-prone |
| 37 | Y | h | 0.0000 | Buried |
| 38 | T | h | 0.0000 | Buried |
| 39 | M | h | 0.0000 | Buried |
| 40 | H | h | 0.0000 | Buried |
| 41 | W | h | 0.0000 | Buried |
| 42 | V | h | 0.0000 | Buried |
| 43 | R | h | 0.0000 | Buried |
| 44 | Q | h | 0.0000 | Buried |
| 45 | A | h | -1.0227 | Soluble |
| 46 | P | h | -0.8688 | Soluble |
| 47 | G | h | -1.4699 | Soluble |
| 48 | K | h | -2.3605 | Soluble |
| 49 | G | h | -1.5774 | Soluble |
| 50 | L | h | 0.0000 | Buried |
| 51 | E | h | -1.0713 | Soluble |
| 52 | W | h | 0.0000 | Buried |
| 53 | V | h | 0.0000 | Buried |
| 54 | T | h | 0.0000 | Buried |
| 55 | F | h | 0.2222 | Aggregation-prone |
| 56 | I | h | 0.0000 | Buried |
| 57 | S | h | -0.8218 | Soluble |
| 58 | Y | h | -0.4076 | Soluble |
| 59 | D | h | -2.0760 | Soluble |
| 62 | G | h | -1.9193 | Soluble |
| 63 | N | h | -2.3347 | Soluble |
| 64 | N | h | -1.9583 | Soluble |
| 65 | K | h | -0.9539 | Soluble |
| 66 | Y | h | -0.0360 | Soluble |
| 67 | Y | h | -0.5913 | Soluble |
| 68 | A | h | -1.1652 | Soluble |
| 69 | D | h | -2.3380 | Soluble |
| 70 | S | h | -1.7998 | Soluble |
| 71 | V | h | 0.0000 | Buried |
| 72 | K | h | -2.4686 | Soluble |
| 74 | G | h | -1.7685 | Soluble |
| 75 | R | h | -1.3492 | Soluble |
| 76 | F | h | 0.0000 | Buried |
| 77 | T | h | -0.7305 | Soluble |
| 78 | I | h | 0.0000 | Buried |
| 79 | S | h | -0.8054 | Soluble |
| 80 | R | h | -1.0508 | Soluble |
| 81 | D | h | -1.7195 | Soluble |
| 82 | N | h | -1.7585 | Soluble |
| 83 | S | h | -1.5638 | Soluble |
| 84 | K | h | -2.3704 | Soluble |
| 85 | N | h | -1.8131 | Soluble |
| 86 | T | h | -1.0136 | Soluble |
| 87 | L | h | 0.0000 | Buried |
| 88 | Y | h | -0.3760 | Soluble |
| 89 | L | h | 0.0000 | Buried |
| 90 | Q | h | -1.0613 | Soluble |
| 91 | M | h | 0.0000 | Buried |
| 92 | N | h | -1.9445 | Soluble |
| 93 | S | h | -1.9381 | Soluble |
| 94 | L | h | 0.0000 | Buried |
| 95 | R | h | -3.1068 | Soluble |
| 96 | A | h | -1.9602 | Soluble |
| 97 | E | h | -2.4278 | Soluble |
| 98 | D | h | 0.0000 | Buried |
| 99 | T | h | -0.7245 | Soluble |
| 100 | A | h | 0.0000 | Buried |
| 101 | I | h | 0.4862 | Aggregation-prone |
| 102 | Y | h | 0.0000 | Buried |
| 103 | Y | h | 0.0000 | Buried |
| 104 | C | h | 0.0000 | Buried |
| 105 | A | h | 0.0000 | Buried |
| 106 | R | h | 0.0000 | Buried |
| 107 | T | h | 0.5910 | Aggregation-prone |
| 108 | G | h | 0.0000 | Buried |
| 109 | W | h | 1.8443 | Aggregation-prone |
| 110 | L | h | 2.1193 | Aggregation-prone |
| 113 | G | h | 1.0875 | Aggregation-prone |
| 114 | P | h | 0.0000 | Buried |
| 115 | F | h | 0.0000 | Buried |
| 116 | D | h | 0.0845 | Aggregation-prone |
| 117 | Y | h | 0.1858 | Aggregation-prone |
| 118 | W | h | -0.1416 | Soluble |
| 119 | G | h | 0.0000 | Buried |
| 120 | Q | h | -1.1726 | Soluble |
| 121 | G | h | -0.4328 | Soluble |
| 122 | T | h | 0.0788 | Aggregation-prone |
| 123 | L | h | 0.5023 | Aggregation-prone |
| 124 | V | h | 0.0000 | Buried |
| 125 | T | h | 0.0000 | Buried |
| 126 | V | h | 0.0000 | Buried |
| 127 | S | h | -0.9079 | Soluble |
| 128 | S | h | -0.7396 | Soluble |
| 129 | A | h | -0.4887 | Soluble |
| 130 | S | h | -0.6410 | Soluble |
| 131 | T | h | -0.7997 | Soluble |
| 132 | K | h | -1.6084 | Soluble |
| 133 | G | h | -1.5582 | Soluble |
| 134 | P | h | -0.7073 | Soluble |
| 135 | S | h | -0.4119 | Soluble |
| 136 | V | h | 0.0000 | Buried |
| 137 | F | h | 0.0000 | Buried |
| 138 | P | h | -1.1848 | Soluble |
| 139 | L | h | 0.0000 | Buried |
| 140 | A | h | -0.8064 | Soluble |
| 141 | P | h | -0.5705 | Soluble |
| 142 | S | h | -0.1649 | Soluble |
| 143 | S | h | -0.2799 | Soluble |
| 144 | T | h | -0.3022 | Soluble |
| 145 | A | h | 0.0000 | Buried |
| 146 | A | h | 0.0000 | Buried |
| 147 | L | h | 0.0000 | Buried |
| 148 | G | h | 0.0000 | Buried |
| 149 | C | h | 0.0000 | Buried |
| 150 | L | h | 0.0000 | Buried |
| 151 | V | h | 0.0000 | Buried |
| 152 | K | h | 0.0000 | Buried |
| 153 | D | h | -0.5214 | Soluble |
| 154 | Y | h | 0.0000 | Buried |
| 155 | F | h | 0.0000 | Buried |
| 156 | P | h | 0.0000 | Buried |
| 157 | E | h | -0.4996 | Soluble |
| 158 | P | h | -0.7566 | Soluble |
| 159 | V | h | -0.6793 | Soluble |
| 160 | T | h | -0.5056 | Soluble |
| 161 | V | h | -0.2614 | Soluble |
| 162 | S | h | -0.3420 | Soluble |
| 163 | W | h | 0.0000 | Buried |
| 164 | N | h | -0.7646 | Soluble |
| 165 | S | h | -0.6624 | Soluble |
| 166 | G | h | -0.5601 | Soluble |
| 167 | A | h | -0.2559 | Soluble |
| 168 | L | h | 0.0048 | Aggregation-prone |
| 169 | T | h | -0.1644 | Soluble |
| 170 | S | h | -0.1697 | Soluble |
| 171 | G | h | -0.2115 | Soluble |
| 172 | V | h | 0.2031 | Aggregation-prone |
| 173 | H | h | -0.3050 | Soluble |
| 174 | T | h | 0.0304 | Aggregation-prone |
| 175 | F | h | 0.0000 | Buried |
| 176 | P | h | -0.3959 | Soluble |
| 177 | A | h | 0.0021 | Aggregation-prone |
| 178 | V | h | 0.2702 | Aggregation-prone |
| 179 | L | h | 1.1430 | Aggregation-prone |
| 180 | Q | h | 0.1621 | Aggregation-prone |
| 181 | S | h | -0.0654 | Soluble |
| 182 | S | h | -0.2010 | Soluble |
| 183 | G | h | 0.0138 | Aggregation-prone |
| 184 | L | h | -0.0079 | Soluble |
| 185 | Y | h | 0.3112 | Aggregation-prone |
| 186 | S | h | 0.0000 | Buried |
| 187 | L | h | 0.0000 | Buried |
| 188 | S | h | 0.0000 | Buried |
| 189 | S | h | 0.0000 | Buried |
| 190 | V | h | 0.0000 | Buried |
| 191 | V | h | 0.0000 | Buried |
| 192 | T | h | -0.1420 | Soluble |
| 193 | V | h | 0.0000 | Buried |
| 194 | P | h | -0.5249 | Soluble |
| 195 | S | h | -0.4804 | Soluble |
| 196 | S | h | -0.5682 | Soluble |
| 197 | S | h | 0.0000 | Buried |
| 198 | L | h | -0.9529 | Soluble |
| 199 | G | h | -1.2685 | Soluble |
| 200 | T | h | -1.0549 | Soluble |
| 201 | Q | h | -1.5881 | Soluble |
| 202 | T | h | -1.2564 | Soluble |
| 203 | Y | h | 0.0000 | Buried |
| 204 | I | h | -1.2013 | Soluble |
| 205 | C | h | 0.0000 | Buried |
| 206 | N | h | -1.4819 | Soluble |
| 207 | V | h | 0.0000 | Buried |
| 208 | N | h | -1.7598 | Soluble |
| 209 | H | h | 0.0000 | Buried |
| 210 | K | h | -2.7455 | Soluble |
| 211 | P | h | -1.6744 | Soluble |
| 212 | S | h | -1.9100 | Soluble |
| 213 | N | h | -2.6228 | Soluble |
| 214 | T | h | -2.0978 | Soluble |
| 215 | K | h | -2.5788 | Soluble |
| 216 | V | h | -1.5733 | Soluble |
| 217 | D | h | -2.6002 | Soluble |
| 218 | K | h | -2.3332 | Soluble |
| 219 | R | h | -2.5920 | Soluble |
| 220 | V | h | 0.0000 | Buried |
| 221 | E | h | -2.5436 | Soluble |
| 222 | P | h | -1.2453 | Soluble |
| 1 | E | l | -1.4623 | Soluble |
| 2 | I | l | -0.3670 | Soluble |
| 3 | V | l | 0.8030 | Aggregation-prone |
| 4 | L | l | 0.0000 | Buried |
| 5 | T | l | -0.5909 | Soluble |
| 6 | Q | l | 0.0000 | Buried |
| 7 | S | l | -0.8267 | Soluble |
| 8 | P | l | -0.5253 | Soluble |
| 9 | G | l | -0.8635 | Soluble |
| 10 | T | l | -0.4450 | Soluble |
| 11 | L | l | -0.1945 | Soluble |
| 12 | S | l | -0.4363 | Soluble |
| 13 | L | l | -1.1415 | Soluble |
| 14 | S | l | -1.5829 | Soluble |
| 15 | P | l | -2.0483 | Soluble |
| 16 | G | l | -2.3779 | Soluble |
| 17 | E | l | -2.9601 | Soluble |
| 18 | R | l | -3.3177 | Soluble |
| 19 | A | l | 0.0000 | Buried |
| 20 | T | l | -0.5487 | Soluble |
| 21 | L | l | 0.0000 | Buried |
| 22 | S | l | -0.7520 | Soluble |
| 23 | C | l | 0.0000 | Buried |
| 24 | R | l | -1.8358 | Soluble |
| 25 | A | l | 0.0000 | Buried |
| 26 | S | l | -0.9092 | Soluble |
| 27 | Q | l | -1.6149 | Soluble |
| 28 | S | l | -1.3410 | Soluble |
| 29 | V | l | 0.0000 | Buried |
| 30 | G | l | -0.5018 | Soluble |
| 36 | S | l | -0.0930 | Soluble |
| 37 | S | l | 0.4844 | Aggregation-prone |
| 38 | Y | l | 0.6093 | Aggregation-prone |
| 39 | L | l | 0.0000 | Buried |
| 40 | A | l | 0.0000 | Buried |
| 41 | W | l | 0.0000 | Buried |
| 42 | Y | l | 0.0000 | Buried |
| 43 | Q | l | 0.0000 | Buried |
| 44 | Q | l | 0.0000 | Buried |
| 45 | K | l | -1.5306 | Soluble |
| 46 | P | l | -1.4396 | Soluble |
| 47 | G | l | -1.4844 | Soluble |
| 48 | Q | l | -2.1196 | Soluble |
| 49 | A | l | -1.3206 | Soluble |
| 50 | P | l | 0.0000 | Buried |
| 51 | R | l | -1.3493 | Soluble |
| 52 | L | l | 0.0000 | Buried |
| 53 | L | l | 0.0000 | Buried |
| 54 | I | l | 0.0000 | Buried |
| 55 | Y | l | 0.6887 | Aggregation-prone |
| 56 | G | l | 0.7080 | Aggregation-prone |
| 57 | A | l | 0.0000 | Buried |
| 65 | F | l | 1.4728 | Aggregation-prone |
| 66 | S | l | 0.2771 | Aggregation-prone |
| 67 | R | l | -1.0678 | Soluble |
| 68 | A | l | -0.6481 | Soluble |
| 69 | T | l | -0.6247 | Soluble |
| 70 | G | l | -0.9110 | Soluble |
| 71 | I | l | 0.0000 | Buried |
| 72 | P | l | -1.3706 | Soluble |
| 74 | D | l | -2.2562 | Soluble |
| 75 | R | l | -2.0094 | Soluble |
| 76 | F | l | 0.0000 | Buried |
| 77 | S | l | -0.4791 | Soluble |
| 78 | G | l | 0.3639 | Aggregation-prone |
| 79 | S | l | 0.0180 | Aggregation-prone |
| 80 | G | l | -0.5817 | Soluble |
| 83 | S | l | -0.7670 | Soluble |
| 84 | G | l | -1.2332 | Soluble |
| 85 | T | l | -1.6571 | Soluble |
| 86 | D | l | -2.0401 | Soluble |
| 87 | F | l | 0.0000 | Buried |
| 88 | T | l | -0.4621 | Soluble |
| 89 | L | l | 0.0000 | Buried |
| 90 | T | l | -0.8355 | Soluble |
| 91 | I | l | 0.0000 | Buried |
| 92 | S | l | -2.4265 | Soluble |
| 93 | R | l | -3.4765 | Soluble |
| 94 | L | l | 0.0000 | Buried |
| 95 | E | l | -2.5950 | Soluble |
| 96 | P | l | -1.8105 | Soluble |
| 97 | E | l | -2.2970 | Soluble |
| 98 | D | l | 0.0000 | Buried |
| 99 | F | l | -0.6408 | Soluble |
| 100 | A | l | 0.0000 | Buried |
| 101 | V | l | -0.2266 | Soluble |
| 102 | Y | l | 0.0000 | Buried |
| 103 | Y | l | 0.0000 | Buried |
| 104 | C | l | 0.0000 | Buried |
| 105 | Q | l | 0.0000 | Buried |
| 106 | Q | l | 0.0000 | Buried |
| 107 | Y | l | 0.0000 | Buried |
| 108 | G | l | -0.0845 | Soluble |
| 109 | S | l | -0.5538 | Soluble |
| 114 | S | l | -0.4153 | Soluble |
| 115 | P | l | -0.6289 | Soluble |
| 116 | W | l | -0.0472 | Soluble |
| 117 | T | l | 0.0000 | Buried |
| 118 | F | l | 0.0869 | Aggregation-prone |
| 119 | G | l | 0.0000 | Buried |
| 120 | Q | l | -1.5143 | Soluble |
| 121 | G | l | 0.0000 | Buried |
| 122 | T | l | 0.0000 | Buried |
| 123 | K | l | -0.7353 | Soluble |
| 124 | V | l | 0.0000 | Buried |
| 125 | E | l | 0.0000 | Buried |
| 126 | I | l | -0.6924 | Soluble |
| 127 | K | l | -1.3142 | Soluble |
| 128 | R | l | -1.0175 | Soluble |
| 129 | T | l | -0.0910 | Soluble |
| 130 | V | l | 0.3860 | Aggregation-prone |
| 131 | A | l | -0.0302 | Soluble |
| 132 | A | l | -0.1373 | Soluble |
| 133 | P | l | 0.0000 | Buried |
| 134 | S | l | -0.0561 | Soluble |
| 135 | V | l | 0.1293 | Aggregation-prone |
| 136 | F | l | 0.2067 | Aggregation-prone |
| 137 | I | l | 0.1911 | Aggregation-prone |
| 138 | F | l | 0.0000 | Buried |
| 139 | P | l | -0.7357 | Soluble |
| 140 | P | l | -0.9111 | Soluble |
| 141 | S | l | -1.5544 | Soluble |
| 142 | D | l | -2.8590 | Soluble |
| 143 | E | l | -2.7470 | Soluble |
| 144 | Q | l | 0.0000 | Buried |
| 145 | L | l | -2.1441 | Soluble |
| 146 | K | l | -2.8653 | Soluble |
| 147 | S | l | -1.8383 | Soluble |
| 148 | G | l | -1.5364 | Soluble |
| 149 | T | l | -1.1411 | Soluble |
| 150 | A | l | 0.0000 | Buried |
| 151 | S | l | 0.0000 | Buried |
| 152 | V | l | 0.0000 | Buried |
| 153 | V | l | 0.0000 | Buried |
| 154 | C | l | 0.0000 | Buried |
| 155 | L | l | 0.0000 | Buried |
| 156 | L | l | 0.0000 | Buried |
| 157 | N | l | 0.0000 | Buried |
| 158 | N | l | -0.9792 | Soluble |
| 159 | F | l | 0.0000 | Buried |
| 160 | Y | l | 0.0000 | Buried |
| 161 | P | l | -1.6023 | Soluble |
| 162 | R | l | -2.7356 | Soluble |
| 163 | E | l | -3.0285 | Soluble |
| 164 | A | l | -2.2706 | Soluble |
| 165 | K | l | -2.3898 | Soluble |
| 166 | V | l | -1.0976 | Soluble |
| 167 | Q | l | -0.5286 | Soluble |
| 168 | W | l | 0.0000 | Buried |
| 169 | K | l | -0.3901 | Soluble |
| 170 | V | l | 0.0000 | Buried |
| 171 | D | l | -1.1923 | Soluble |
| 172 | N | l | -1.0940 | Soluble |
| 173 | A | l | -0.2096 | Soluble |
| 174 | L | l | 0.5863 | Aggregation-prone |
| 175 | Q | l | -0.4123 | Soluble |
| 176 | S | l | -0.6993 | Soluble |
| 177 | G | l | -1.3649 | Soluble |
| 178 | N | l | -1.6664 | Soluble |
| 179 | S | l | -1.7576 | Soluble |
| 180 | Q | l | -2.1261 | Soluble |
| 181 | E | l | -2.2840 | Soluble |
| 182 | S | l | -1.0330 | Soluble |
| 183 | V | l | -1.0608 | Soluble |
| 184 | T | l | 0.0000 | Buried |
| 185 | E | l | -2.2443 | Soluble |
| 186 | Q | l | -1.8314 | Soluble |
| 187 | D | l | -1.8629 | Soluble |
| 188 | S | l | -1.8566 | Soluble |
| 189 | K | l | -2.1509 | Soluble |
| 190 | D | l | -1.5652 | Soluble |
| 191 | S | l | -1.6219 | Soluble |
| 192 | T | l | 0.0000 | Buried |
| 193 | Y | l | 0.0000 | Buried |
| 194 | S | l | 0.0000 | Buried |
| 195 | L | l | 0.0000 | Buried |
| 196 | S | l | 0.0000 | Buried |
| 197 | S | l | 0.0000 | Buried |
| 198 | T | l | -0.9142 | Soluble |
| 199 | L | l | 0.0000 | Buried |
| 200 | T | l | -0.5192 | Soluble |
| 201 | L | l | -0.7482 | Soluble |
| 202 | S | l | -1.1453 | Soluble |
| 203 | K | l | -2.1087 | Soluble |
| 204 | A | l | -1.9444 | Soluble |
| 205 | D | l | -2.8962 | Soluble |
| 206 | Y | l | 0.0000 | Buried |
| 207 | E | l | -3.0924 | Soluble |
| 208 | K | l | -3.2593 | Soluble |
| 209 | H | l | -2.8707 | Soluble |
| 210 | K | l | -3.0259 | Soluble |
| 211 | V | l | -1.4501 | Soluble |
| 212 | Y | l | 0.0000 | Buried |
| 213 | A | l | 0.0000 | Buried |
| 214 | C | l | 0.0000 | Buried |
| 215 | E | l | -0.6883 | Soluble |
| 216 | V | l | 0.0000 | Buried |
| 217 | T | l | -1.1455 | Soluble |
| 218 | H | l | 0.0000 | Buried |
| 219 | Q | l | -1.6802 | Soluble |
| 220 | G | l | -0.4326 | Soluble |
| 221 | L | l | -0.2318 | Soluble |
| 222 | S | l | -0.4617 | Soluble |
| 223 | S | l | -0.4052 | Soluble |
| 224 | P | l | -0.4916 | Soluble |
| 225 | V | l | 0.1413 | Aggregation-prone |
| 226 | T | l | -0.3108 | Soluble |
| 227 | K | l | -0.5209 | Soluble |
| 228 | S | l | -0.5022 | Soluble |
| 229 | F | l | -1.0586 | Soluble |
| 230 | N | l | -2.4838 | Soluble |
| 231 | R | l | -2.9677 | Soluble |
3D Structure — colored by A4D score
pH-Dependent Aggregation Profiles
A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.
| pH | Avg A4D Score | Max A4D Score | Downloads |
|---|---|---|---|
| 4.0 | -0.7024 | 4.2942 | CSV PDB |
| 4.5 | -0.7443 | 4.2805 | CSV PDB |
| 5.0 | -0.7932 | 4.2665 | CSV PDB |
| 5.5 | -0.8406 | 4.2524 | CSV PDB |
| 6.0 | -0.8767 | 4.2383 | CSV PDB |
| 6.5 | -0.8929 | 4.2244 | CSV PDB |
| 7.0 | -0.8882 | 4.2109 | CSV PDB |
| 7.5 | -0.8688 | 4.1987 | CSV PDB |
| 8.0 | -0.841 | 4.1892 | CSV PDB |
| 8.5 | -0.8066 | 4.1835 | CSV PDB |
| 9.0 | -0.7656 | 4.181 | CSV PDB |