Calculation Parameters
| Chain Sequence(s) |
VQLVESGGGLVQPGGSLRLSCAASGYSFTGYYIHWVRQAPGKGLEWVARVIPNAGGTSYNQKFKGRFTLSVDNSKNTAYLQMNSLRAEDTAVYYCAREGIYWWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCRSSQSLVHSNGNTFLHWYQQKPGKAPKLLIYTVSNRFSGVPSRFSGSGSGTDFTLTISSLQPEDFATYFCSQTTHVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
input.pdb
|
| Selected Chain(s) | B (Heavy), C (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 |
|---|---|---|---|---|
| 2 | V | B | 0.3370 | Aggregation-prone |
| 3 | Q | B | -0.5407 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | V | B | 0.4249 | Aggregation-prone |
| 6 | E | B | 0.0000 | Buried |
| 7 | S | B | -0.3951 | Soluble |
| 8 | G | B | -0.8146 | Soluble |
| 9 | G | B | -0.2682 | Soluble |
| 11 | G | B | -0.0906 | Soluble |
| 12 | L | B | 0.2023 | Aggregation-prone |
| 13 | V | B | -0.5222 | Soluble |
| 14 | Q | B | -1.5356 | Soluble |
| 15 | P | B | -1.5832 | Soluble |
| 16 | G | B | -1.3276 | Soluble |
| 17 | G | B | -0.9528 | Soluble |
| 18 | S | B | -0.9733 | Soluble |
| 19 | L | B | -0.8138 | Soluble |
| 20 | R | B | -1.6604 | Soluble |
| 21 | L | B | 0.0000 | Buried |
| 22 | S | B | -0.2563 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | A | B | -0.4016 | Soluble |
| 25 | A | B | 0.0000 | Buried |
| 26 | S | B | -0.5553 | Soluble |
| 27 | G | B | -0.2935 | Soluble |
| 28 | Y | B | -0.0982 | Soluble |
| 29 | S | B | -0.2114 | Soluble |
| 30 | F | B | 0.0000 | Buried |
| 35 | T | B | -0.7977 | Soluble |
| 36 | G | B | -0.4416 | Soluble |
| 37 | Y | B | 0.0322 | Aggregation-prone |
| 38 | Y | B | -0.1392 | Soluble |
| 39 | I | B | 0.0000 | Buried |
| 40 | H | B | 0.0000 | Buried |
| 41 | W | B | 0.0000 | Buried |
| 42 | V | B | 0.0000 | Buried |
| 43 | R | B | 0.0000 | Buried |
| 44 | Q | B | -0.7522 | Soluble |
| 45 | A | B | -1.2296 | Soluble |
| 46 | P | B | -1.3257 | Soluble |
| 47 | G | B | -1.6161 | Soluble |
| 48 | K | B | -2.4819 | Soluble |
| 49 | G | B | -1.7971 | Soluble |
| 50 | L | B | 0.0000 | Buried |
| 51 | E | B | -0.7332 | Soluble |
| 52 | W | B | 0.0000 | Buried |
| 53 | V | B | 0.0000 | Buried |
| 54 | A | B | 0.0000 | Buried |
| 55 | R | B | -0.1875 | Soluble |
| 56 | V | B | 0.0000 | Buried |
| 57 | I | B | -0.2602 | Soluble |
| 58 | P | B | 0.0000 | Buried |
| 59 | N | B | -1.4479 | Soluble |
| 62 | A | B | -0.7201 | Soluble |
| 63 | G | B | -0.9426 | Soluble |
| 64 | G | B | -0.5928 | Soluble |
| 65 | T | B | -0.1927 | Soluble |
| 66 | S | B | -0.3412 | Soluble |
| 67 | Y | B | -0.9725 | Soluble |
| 68 | N | B | 0.0000 | Buried |
| 69 | Q | B | -2.5962 | Soluble |
| 70 | K | B | -2.8449 | Soluble |
| 71 | F | B | 0.0000 | Buried |
| 72 | K | B | -2.8456 | Soluble |
| 74 | G | B | -1.9748 | Soluble |
| 75 | R | B | -1.5450 | Soluble |
| 76 | F | B | 0.0000 | Buried |
| 77 | T | B | -0.7886 | Soluble |
| 78 | L | B | 0.0000 | Buried |
| 79 | S | B | 0.1437 | Aggregation-prone |
| 80 | V | B | -0.3990 | Soluble |
| 81 | D | B | -1.4582 | Soluble |
| 82 | N | B | -2.1809 | Soluble |
| 83 | S | B | -1.8029 | Soluble |
| 84 | K | B | -2.5140 | Soluble |
| 85 | N | B | -1.9712 | Soluble |
| 86 | T | B | 0.0000 | Buried |
| 87 | A | B | 0.0000 | Buried |
| 88 | Y | B | -0.1811 | Soluble |
| 89 | L | B | 0.0000 | Buried |
| 90 | Q | B | -0.9892 | Soluble |
| 91 | M | B | 0.0000 | Buried |
| 92 | N | B | -1.1993 | Soluble |
| 93 | S | B | -1.1738 | Soluble |
| 94 | L | B | 0.0000 | Buried |
| 95 | R | B | -2.1401 | Soluble |
| 96 | A | B | -1.6625 | Soluble |
| 97 | E | B | -2.2130 | Soluble |
| 98 | D | B | 0.0000 | Buried |
| 99 | T | B | -0.6728 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | V | B | 0.3005 | Aggregation-prone |
| 102 | Y | B | 0.0000 | Buried |
| 103 | Y | B | 0.0000 | Buried |
| 104 | C | B | 0.0000 | Buried |
| 105 | A | B | 0.0000 | Buried |
| 106 | R | B | -0.2175 | Soluble |
| 107 | E | B | -0.5279 | Soluble |
| 108 | G | B | -0.3499 | Soluble |
| 115 | I | B | 0.1779 | Aggregation-prone |
| 116 | Y | B | 0.3056 | Aggregation-prone |
| 117 | W | B | 0.2707 | Aggregation-prone |
| 118 | W | B | -0.2880 | Soluble |
| 119 | G | B | -0.6741 | Soluble |
| 120 | Q | B | -1.2317 | Soluble |
| 121 | G | B | -0.3440 | Soluble |
| 122 | T | B | -0.0253 | Soluble |
| 123 | L | B | 0.3380 | Aggregation-prone |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | -0.3105 | Soluble |
| 126 | V | B | 0.0000 | Buried |
| 127 | S | B | -0.8689 | Soluble |
| 128 | S | B | -0.6626 | Soluble |
| 129 | A | B | -0.3938 | Soluble |
| 130 | S | B | -0.5259 | Soluble |
| 131 | T | B | -0.6098 | Soluble |
| 132 | K | B | -1.0442 | Soluble |
| 133 | G | B | -1.3807 | Soluble |
| 134 | P | B | 0.0000 | Buried |
| 135 | S | B | -0.3225 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | -0.3526 | Soluble |
| 138 | P | B | -0.9100 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | -1.1433 | Soluble |
| 141 | P | B | 0.0000 | Buried |
| 142 | S | B | -0.8253 | Soluble |
| 143 | S | B | -0.5343 | Soluble |
| 144 | G | B | -0.8166 | Soluble |
| 145 | G | B | -0.8451 | Soluble |
| 146 | T | B | -0.5340 | Soluble |
| 147 | A | B | -0.3214 | Soluble |
| 148 | A | B | 0.0000 | Buried |
| 149 | L | B | 0.0000 | Buried |
| 150 | G | B | 0.0000 | Buried |
| 151 | C | B | 0.0000 | Buried |
| 152 | L | B | 0.0000 | Buried |
| 153 | V | B | 0.0000 | Buried |
| 154 | K | B | 0.0000 | Buried |
| 155 | D | B | -0.2607 | Soluble |
| 156 | Y | B | 0.0000 | Buried |
| 157 | F | B | -0.0502 | Soluble |
| 158 | P | B | 0.0000 | Buried |
| 159 | E | B | -0.6263 | Soluble |
| 160 | P | B | -0.7712 | Soluble |
| 161 | V | B | 0.0000 | Buried |
| 162 | T | B | -0.8006 | Soluble |
| 163 | V | B | -0.3847 | Soluble |
| 164 | S | B | -0.4380 | Soluble |
| 165 | W | B | 0.0000 | Buried |
| 166 | N | B | -0.7249 | Soluble |
| 167 | S | B | -0.5885 | Soluble |
| 168 | G | B | -0.5364 | Soluble |
| 169 | A | B | -0.2295 | Soluble |
| 170 | L | B | -0.0753 | Soluble |
| 171 | T | B | -0.2149 | Soluble |
| 172 | S | B | -0.2571 | Soluble |
| 173 | G | B | -0.2493 | Soluble |
| 174 | V | B | 0.0746 | Aggregation-prone |
| 175 | H | B | -0.3070 | Soluble |
| 176 | T | B | -0.0414 | Soluble |
| 177 | F | B | 0.0000 | Buried |
| 178 | P | B | -0.5456 | Soluble |
| 179 | A | B | 0.1805 | Aggregation-prone |
| 180 | V | B | 0.5994 | Aggregation-prone |
| 181 | L | B | 1.5623 | Aggregation-prone |
| 182 | Q | B | 0.4354 | Aggregation-prone |
| 183 | S | B | -0.0283 | Soluble |
| 184 | S | B | -0.1798 | Soluble |
| 185 | G | B | 0.1168 | Aggregation-prone |
| 186 | L | B | 0.3947 | Aggregation-prone |
| 187 | Y | B | 0.7412 | Aggregation-prone |
| 188 | S | B | 0.3631 | Aggregation-prone |
| 189 | L | B | 0.0000 | Buried |
| 190 | S | B | 0.0000 | Buried |
| 191 | S | B | 0.0000 | Buried |
| 192 | V | B | 0.0000 | Buried |
| 193 | V | B | 0.0000 | Buried |
| 194 | T | B | -0.1409 | Soluble |
| 195 | V | B | 0.0000 | Buried |
| 196 | P | B | -0.5261 | Soluble |
| 197 | S | B | -0.6317 | Soluble |
| 198 | S | B | -0.6669 | Soluble |
| 199 | S | B | -0.5325 | Soluble |
| 200 | L | B | -0.7853 | Soluble |
| 201 | G | B | -1.0511 | Soluble |
| 202 | T | B | -0.6878 | Soluble |
| 203 | Q | B | -1.1419 | Soluble |
| 204 | T | B | -1.1548 | Soluble |
| 205 | Y | B | 0.0000 | Buried |
| 206 | I | B | -1.2892 | Soluble |
| 207 | C | B | 0.0000 | Buried |
| 208 | N | B | -1.4968 | Soluble |
| 209 | V | B | 0.0000 | Buried |
| 210 | N | B | -2.4062 | Soluble |
| 211 | H | B | 0.0000 | Buried |
| 212 | K | B | -2.8864 | Soluble |
| 213 | P | B | -1.6004 | Soluble |
| 214 | S | B | -1.8429 | Soluble |
| 215 | N | B | -2.6801 | Soluble |
| 216 | T | B | -2.1813 | Soluble |
| 217 | K | B | -2.8532 | Soluble |
| 218 | V | B | -1.5709 | Soluble |
| 219 | D | B | -2.2261 | Soluble |
| 220 | K | B | -1.8787 | Soluble |
| 221 | K | B | -2.5581 | Soluble |
| 222 | V | B | 0.0000 | Buried |
| 223 | E | B | -2.9362 | Soluble |
| 224 | P | B | -2.0492 | Soluble |
| 225 | K | B | -2.4042 | Soluble |
| 226 | S | B | -1.3413 | Soluble |
| 1 | D | C | -2.2002 | Soluble |
| 2 | I | C | 0.0000 | Buried |
| 3 | Q | C | -2.0188 | Soluble |
| 4 | M | C | 0.0000 | Buried |
| 5 | T | C | -1.2021 | Soluble |
| 6 | Q | C | 0.0000 | Buried |
| 7 | S | C | -0.6809 | Soluble |
| 8 | P | C | -0.7261 | Soluble |
| 9 | S | C | -1.0304 | Soluble |
| 10 | S | C | -1.0957 | Soluble |
| 11 | L | C | -0.7917 | Soluble |
| 12 | S | C | -1.1175 | Soluble |
| 13 | A | C | -1.2068 | Soluble |
| 14 | S | C | -1.1365 | Soluble |
| 15 | V | C | -0.5261 | Soluble |
| 16 | G | C | -0.9926 | Soluble |
| 17 | D | C | -2.0446 | Soluble |
| 18 | R | C | -2.5006 | Soluble |
| 19 | V | C | 0.0000 | Buried |
| 20 | T | C | -0.6477 | Soluble |
| 21 | I | C | 0.0000 | Buried |
| 22 | T | C | -0.6774 | Soluble |
| 23 | C | C | 0.0000 | Buried |
| 24 | R | C | -2.0572 | Soluble |
| 25 | S | C | 0.0000 | Buried |
| 26 | S | C | -1.6691 | Soluble |
| 27 | Q | C | -1.4748 | Soluble |
| 28 | S | C | -0.6236 | Soluble |
| 29 | L | C | 0.0000 | Buried |
| 30 | V | C | 0.0277 | Aggregation-prone |
| 31 | H | C | -0.8756 | Soluble |
| 32 | S | C | -1.0763 | Soluble |
| 34 | N | C | -1.7834 | Soluble |
| 35 | G | C | -1.3677 | Soluble |
| 36 | N | C | -1.1666 | Soluble |
| 37 | T | C | -0.2776 | Soluble |
| 38 | F | C | 0.1301 | Aggregation-prone |
| 39 | L | C | 0.0000 | Buried |
| 40 | H | C | 0.0000 | Buried |
| 41 | W | C | 0.0000 | Buried |
| 42 | Y | C | 0.0000 | Buried |
| 43 | Q | C | 0.0000 | Buried |
| 44 | Q | C | -1.4585 | Soluble |
| 45 | K | C | -1.9024 | Soluble |
| 46 | P | C | -1.5603 | Soluble |
| 47 | G | C | -1.6233 | Soluble |
| 48 | K | C | -2.5551 | Soluble |
| 49 | A | C | -1.6728 | Soluble |
| 50 | P | C | 0.0000 | Buried |
| 51 | K | C | -1.7037 | Soluble |
| 52 | L | C | 0.0000 | Buried |
| 53 | L | C | 0.0000 | Buried |
| 54 | I | C | 0.0000 | Buried |
| 55 | Y | C | 0.2131 | Aggregation-prone |
| 56 | T | C | -0.1050 | Soluble |
| 57 | V | C | 0.0000 | Buried |
| 65 | S | C | -0.7684 | Soluble |
| 66 | N | C | -1.0605 | Soluble |
| 67 | R | C | -1.0230 | Soluble |
| 68 | F | C | -0.2293 | Soluble |
| 69 | S | C | -0.3907 | Soluble |
| 70 | G | C | -0.4890 | Soluble |
| 71 | V | C | -0.4545 | Soluble |
| 72 | P | C | -0.4135 | Soluble |
| 74 | S | C | -0.5642 | Soluble |
| 75 | R | C | -0.8918 | Soluble |
| 76 | F | C | 0.0000 | Buried |
| 77 | S | C | -0.5670 | Soluble |
| 78 | G | C | 0.0000 | Buried |
| 79 | S | C | -0.7519 | Soluble |
| 80 | G | C | -1.0564 | Soluble |
| 83 | S | C | -0.8108 | Soluble |
| 84 | G | C | -0.7285 | Soluble |
| 85 | T | C | -1.2983 | Soluble |
| 86 | D | C | -2.0274 | Soluble |
| 87 | F | C | 0.0000 | Buried |
| 88 | T | C | -0.6680 | Soluble |
| 89 | L | C | 0.0000 | Buried |
| 90 | T | C | -0.6240 | Soluble |
| 91 | I | C | 0.0000 | Buried |
| 92 | S | C | -1.5493 | Soluble |
| 93 | S | C | -1.3295 | Soluble |
| 94 | L | C | 0.0000 | Buried |
| 95 | Q | C | -1.0803 | Soluble |
| 96 | P | C | -1.6868 | Soluble |
| 97 | E | C | -1.9641 | Soluble |
| 98 | D | C | 0.0000 | Buried |
| 99 | F | C | 0.0000 | Buried |
| 100 | A | C | 0.0000 | Buried |
| 101 | T | C | -1.1637 | Soluble |
| 102 | Y | C | 0.0000 | Buried |
| 103 | F | C | 0.0000 | Buried |
| 104 | C | C | 0.0000 | Buried |
| 105 | S | C | 0.0000 | Buried |
| 106 | Q | C | 0.0000 | Buried |
| 107 | T | C | -0.0509 | Soluble |
| 108 | T | C | -0.0966 | Soluble |
| 109 | H | C | -0.4373 | Soluble |
| 114 | V | C | -0.0063 | Soluble |
| 115 | P | C | -0.4430 | Soluble |
| 116 | W | C | 0.0000 | Buried |
| 117 | T | C | -0.7582 | Soluble |
| 118 | F | C | -0.4718 | Soluble |
| 119 | G | C | -1.0185 | Soluble |
| 120 | Q | C | -1.7807 | Soluble |
| 121 | G | C | -1.4085 | Soluble |
| 122 | T | C | 0.0000 | Buried |
| 123 | K | C | -2.1507 | Soluble |
| 124 | V | C | 0.0000 | Buried |
| 125 | E | C | -1.9039 | Soluble |
| 126 | I | C | 0.0000 | Buried |
| 127 | K | C | -1.4286 | Soluble |
| 128 | R | C | -0.9528 | Soluble |
| 129 | T | C | -0.0592 | Soluble |
| 130 | V | C | 0.4566 | Aggregation-prone |
| 131 | A | C | -0.0134 | Soluble |
| 132 | A | C | -0.0561 | Soluble |
| 133 | P | C | 0.0000 | Buried |
| 134 | S | C | -0.0814 | Soluble |
| 135 | V | C | 0.0000 | Buried |
| 136 | F | C | 0.0626 | Aggregation-prone |
| 137 | I | C | 0.0938 | Aggregation-prone |
| 138 | F | C | 0.0000 | Buried |
| 139 | P | C | -0.4880 | Soluble |
| 140 | P | C | 0.0000 | Buried |
| 141 | S | C | -1.5821 | Soluble |
| 142 | D | C | -2.6721 | Soluble |
| 143 | E | C | -2.3881 | Soluble |
| 144 | Q | C | 0.0000 | Buried |
| 145 | L | C | -2.1272 | Soluble |
| 146 | K | C | -2.6702 | Soluble |
| 147 | S | C | -1.6573 | Soluble |
| 148 | G | C | -1.2110 | Soluble |
| 149 | T | C | -0.8770 | Soluble |
| 150 | A | C | 0.0000 | Buried |
| 151 | S | C | 0.0000 | Buried |
| 152 | V | C | 0.0000 | Buried |
| 153 | V | C | 0.0000 | Buried |
| 154 | C | C | 0.0000 | Buried |
| 155 | L | C | 0.0000 | Buried |
| 156 | L | C | 0.0000 | Buried |
| 157 | N | C | 0.0000 | Buried |
| 158 | N | C | -0.8136 | Soluble |
| 159 | F | C | 0.0000 | Buried |
| 160 | Y | C | 0.0000 | Buried |
| 161 | P | C | -1.6964 | Soluble |
| 162 | R | C | -2.9762 | Soluble |
| 163 | E | C | -3.1915 | Soluble |
| 164 | A | C | -2.2631 | Soluble |
| 165 | K | C | -2.2432 | Soluble |
| 166 | V | C | -0.9769 | Soluble |
| 167 | Q | C | -0.4635 | Soluble |
| 168 | W | C | 0.0000 | Buried |
| 169 | K | C | -0.5577 | Soluble |
| 170 | V | C | 0.0000 | Buried |
| 171 | D | C | -1.7973 | Soluble |
| 172 | N | C | -1.3307 | Soluble |
| 173 | A | C | -0.3316 | Soluble |
| 174 | L | C | 0.7083 | Aggregation-prone |
| 175 | Q | C | -0.0270 | Soluble |
| 176 | S | C | -0.4501 | Soluble |
| 177 | G | C | -0.8302 | Soluble |
| 178 | N | C | -0.6998 | Soluble |
| 179 | S | C | -0.9549 | Soluble |
| 180 | Q | C | -1.1566 | Soluble |
| 181 | E | C | -1.8730 | Soluble |
| 182 | S | C | -0.9971 | Soluble |
| 183 | V | C | -0.8392 | Soluble |
| 184 | T | C | 0.0000 | Buried |
| 185 | E | C | -1.9753 | Soluble |
| 186 | Q | C | 0.0000 | Buried |
| 187 | D | C | -1.9472 | Soluble |
| 188 | S | C | -2.0833 | Soluble |
| 189 | K | C | -2.4790 | Soluble |
| 190 | D | C | -1.7443 | Soluble |
| 191 | S | C | 0.0000 | Buried |
| 192 | T | C | 0.0000 | Buried |
| 193 | Y | C | 0.0000 | Buried |
| 194 | S | C | 0.0000 | Buried |
| 195 | L | C | 0.0000 | Buried |
| 196 | S | C | 0.0000 | Buried |
| 197 | S | C | 0.0000 | Buried |
| 198 | T | C | -0.5660 | Soluble |
| 199 | L | C | 0.0000 | Buried |
| 200 | T | C | -0.3769 | Soluble |
| 201 | L | C | -0.6137 | Soluble |
| 202 | S | C | -1.0333 | Soluble |
| 203 | K | C | -2.0067 | Soluble |
| 204 | A | C | -1.7772 | Soluble |
| 205 | D | C | -2.3996 | Soluble |
| 206 | Y | C | 0.0000 | Buried |
| 207 | E | C | -3.3157 | Soluble |
| 208 | K | C | -3.4386 | Soluble |
| 209 | H | C | -2.9077 | Soluble |
| 210 | K | C | -3.0128 | Soluble |
| 211 | V | C | -1.5520 | Soluble |
| 212 | Y | C | 0.0000 | Buried |
| 213 | A | C | 0.0000 | Buried |
| 214 | C | C | 0.0000 | Buried |
| 215 | E | C | -0.5973 | Soluble |
| 216 | V | C | 0.0000 | Buried |
| 217 | T | C | -1.0900 | Soluble |
| 218 | H | C | 0.0000 | Buried |
| 219 | Q | C | -1.7202 | Soluble |
| 220 | G | C | -0.3707 | Soluble |
| 221 | L | C | -0.1814 | Soluble |
| 222 | S | C | -0.4349 | Soluble |
| 223 | S | C | -0.3890 | Soluble |
| 224 | P | C | -0.4483 | Soluble |
| 225 | V | C | 0.1673 | Aggregation-prone |
| 226 | T | C | -0.3760 | Soluble |
| 227 | K | C | -0.6553 | Soluble |
| 228 | S | C | -0.5878 | Soluble |
| 229 | F | C | -0.7901 | Soluble |
| 230 | N | C | -1.8321 | Soluble |
| 231 | R | C | -2.1434 | Soluble |
| 232 | G | C | -1.2260 | 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 | -0.7635 | 1.7567 | CSV PDB |
| 4.5 | -0.7957 | 1.7462 | CSV PDB |
| 5.0 | -0.8327 | 1.7344 | CSV PDB |
| 5.5 | -0.8658 | 1.7222 | CSV PDB |
| 6.0 | -0.8852 | 1.7099 | CSV PDB |
| 6.5 | -0.8833 | 1.6975 | CSV PDB |
| 7.0 | -0.8601 | 1.6852 | CSV PDB |
| 7.5 | -0.823 | 1.6731 | CSV PDB |
| 8.0 | -0.7786 | 1.6616 | CSV PDB |
| 8.5 | -0.7295 | 1.6517 | CSV PDB |
| 9.0 | -0.6757 | 1.6447 | CSV PDB |