Calculation Parameters
| Chain Sequence(s) |
VQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA
input.pdb
|
| Selected Chain(s) | B (Heavy), A (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 | 0.7462 | Aggregation-prone |
| 3 | Q | B | -1.0851 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | K | B | -2.4199 | Soluble |
| 6 | Q | B | 0.0000 | Buried |
| 7 | S | B | -0.8436 | Soluble |
| 8 | G | B | -1.1718 | Soluble |
| 9 | P | B | -0.4942 | Soluble |
| 11 | G | B | -0.3815 | Soluble |
| 12 | L | B | -0.1080 | Soluble |
| 13 | V | B | 0.0000 | Buried |
| 14 | Q | B | -1.7882 | Soluble |
| 15 | P | B | -1.5738 | Soluble |
| 16 | S | B | -1.5663 | Soluble |
| 17 | Q | B | -1.9265 | Soluble |
| 18 | S | B | -1.5797 | Soluble |
| 19 | L | B | 0.0000 | Buried |
| 20 | S | B | -0.6196 | Soluble |
| 21 | I | B | 0.0000 | Buried |
| 22 | T | B | -0.4847 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | T | B | -1.1816 | Soluble |
| 25 | V | B | 0.0000 | Buried |
| 26 | S | B | -0.7569 | Soluble |
| 27 | G | B | -0.1389 | Soluble |
| 28 | F | B | -0.1285 | Soluble |
| 29 | S | B | -0.7424 | Soluble |
| 30 | L | B | 0.0000 | Buried |
| 35 | T | B | -0.8986 | Soluble |
| 36 | N | B | -0.8456 | Soluble |
| 37 | Y | B | 0.4554 | Aggregation-prone |
| 38 | G | B | 0.0000 | Buried |
| 39 | V | 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 | -0.5526 | Soluble |
| 45 | S | B | 0.0000 | Buried |
| 46 | P | B | -1.1841 | Soluble |
| 47 | G | B | -1.7353 | Soluble |
| 48 | K | B | -2.2807 | Soluble |
| 49 | G | B | -1.2004 | Soluble |
| 50 | L | B | 0.0000 | Buried |
| 51 | E | B | -0.6277 | Soluble |
| 52 | W | B | 0.0000 | Buried |
| 53 | L | B | 0.0000 | Buried |
| 54 | G | B | 0.0000 | Buried |
| 55 | V | B | 0.0000 | Buried |
| 56 | I | B | 0.0000 | Buried |
| 57 | W | B | -0.5029 | Soluble |
| 58 | S | B | -0.5834 | Soluble |
| 59 | G | B | -1.2217 | Soluble |
| 63 | G | B | -1.5210 | Soluble |
| 64 | N | B | -1.8664 | Soluble |
| 65 | T | B | -1.3481 | Soluble |
| 66 | D | B | -1.0783 | Soluble |
| 67 | Y | B | -0.4003 | Soluble |
| 68 | N | B | 0.0000 | Buried |
| 69 | T | B | -0.1938 | Soluble |
| 70 | P | B | -0.3584 | Soluble |
| 71 | F | B | 0.0000 | Buried |
| 72 | T | B | -0.4575 | Soluble |
| 74 | S | B | -0.5466 | Soluble |
| 75 | R | B | -0.9401 | Soluble |
| 76 | L | B | 0.0000 | Buried |
| 77 | S | B | -1.0050 | Soluble |
| 78 | I | B | 0.0000 | Buried |
| 79 | N | B | -1.6699 | Soluble |
| 80 | K | B | -1.3750 | Soluble |
| 81 | D | B | -1.7449 | Soluble |
| 82 | N | B | -2.1836 | Soluble |
| 83 | S | B | -1.6676 | Soluble |
| 84 | K | B | -2.3484 | Soluble |
| 85 | S | B | -1.5839 | Soluble |
| 86 | Q | B | -1.4672 | Soluble |
| 87 | V | B | 0.0000 | Buried |
| 88 | F | B | -0.1840 | Soluble |
| 89 | F | B | 0.0000 | Buried |
| 90 | K | B | -1.4108 | Soluble |
| 91 | M | B | 0.0000 | Buried |
| 92 | N | B | -1.6045 | Soluble |
| 93 | S | B | -1.4742 | Soluble |
| 94 | L | B | 0.0000 | Buried |
| 95 | Q | B | -2.1195 | Soluble |
| 96 | S | B | -1.5551 | Soluble |
| 97 | N | B | -2.0596 | Soluble |
| 98 | D | B | 0.0000 | Buried |
| 99 | T | B | -0.6075 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | I | B | 0.4442 | 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 | 0.0000 | Buried |
| 107 | A | B | 0.0000 | Buried |
| 108 | L | B | 1.1961 | Aggregation-prone |
| 109 | T | B | 1.2190 | Aggregation-prone |
| 110 | Y | B | 1.8908 | Aggregation-prone |
| 111 | Y | B | 1.9996 | Aggregation-prone |
| 112 | D | B | 0.0000 | Buried |
| 113 | Y | B | 0.7110 | Aggregation-prone |
| 114 | E | B | 0.0000 | Buried |
| 115 | F | B | 0.0000 | Buried |
| 116 | A | B | 0.4809 | Aggregation-prone |
| 117 | Y | B | 0.4562 | Aggregation-prone |
| 118 | W | B | -0.3806 | Soluble |
| 119 | G | B | 0.0000 | Buried |
| 120 | Q | B | -1.8548 | Soluble |
| 121 | G | B | -0.8879 | Soluble |
| 122 | T | B | 0.0000 | Buried |
| 123 | L | B | 0.3970 | Aggregation-prone |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | 0.0000 | Buried |
| 126 | V | B | 0.0000 | Buried |
| 127 | S | B | -0.6348 | Soluble |
| 128 | A | B | -0.4141 | Soluble |
| 129 | A | B | -0.3822 | Soluble |
| 130 | S | B | -0.5993 | Soluble |
| 131 | T | B | -0.8419 | Soluble |
| 132 | K | B | -1.4343 | Soluble |
| 133 | G | B | -1.5157 | Soluble |
| 134 | P | B | 0.0000 | Buried |
| 135 | S | B | -0.2198 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | -0.3486 | Soluble |
| 138 | P | B | -1.0585 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | -1.2328 | Soluble |
| 141 | P | B | 0.0000 | Buried |
| 142 | S | B | -0.9933 | Soluble |
| 143 | S | B | -0.4110 | Soluble |
| 144 | S | B | -0.3880 | Soluble |
| 145 | T | B | -0.5366 | Soluble |
| 146 | S | B | -0.6452 | Soluble |
| 147 | G | B | -0.8032 | Soluble |
| 148 | G | B | -0.8438 | Soluble |
| 149 | T | B | -0.6238 | Soluble |
| 150 | A | B | 0.0000 | Buried |
| 151 | A | B | 0.0000 | Buried |
| 152 | L | B | 0.0000 | Buried |
| 153 | G | B | 0.0000 | Buried |
| 154 | C | B | 0.0000 | Buried |
| 155 | L | B | 0.0000 | Buried |
| 156 | V | B | 0.0000 | Buried |
| 157 | K | B | 0.0000 | Buried |
| 158 | D | B | -0.5046 | Soluble |
| 159 | Y | B | 0.0000 | Buried |
| 160 | F | B | 0.0000 | Buried |
| 161 | P | B | 0.0000 | Buried |
| 162 | E | B | -0.2905 | Soluble |
| 163 | P | B | -0.4764 | Soluble |
| 164 | V | B | -0.6197 | Soluble |
| 165 | T | B | -0.6084 | Soluble |
| 166 | V | B | -0.2695 | Soluble |
| 167 | S | B | -0.4775 | Soluble |
| 168 | W | B | 0.0000 | Buried |
| 169 | N | B | -0.9355 | Soluble |
| 170 | S | B | -0.7482 | Soluble |
| 171 | G | B | -0.6068 | Soluble |
| 172 | A | B | -0.2836 | Soluble |
| 173 | L | B | -0.0378 | Soluble |
| 174 | T | B | -0.1746 | Soluble |
| 175 | S | B | -0.1620 | Soluble |
| 176 | G | B | -0.1601 | Soluble |
| 177 | V | B | 0.1886 | Aggregation-prone |
| 178 | H | B | -0.2432 | Soluble |
| 179 | T | B | 0.0543 | Aggregation-prone |
| 180 | F | B | 0.0000 | Buried |
| 181 | P | B | -0.2208 | Soluble |
| 182 | A | B | 0.2768 | Aggregation-prone |
| 183 | V | B | 0.4654 | Aggregation-prone |
| 184 | L | B | 0.9647 | Aggregation-prone |
| 185 | Q | B | 0.1607 | Aggregation-prone |
| 186 | S | B | -0.1340 | Soluble |
| 187 | S | B | -0.2919 | Soluble |
| 188 | G | B | -0.0778 | Soluble |
| 189 | L | B | 0.0209 | Aggregation-prone |
| 190 | Y | B | 0.3569 | Aggregation-prone |
| 191 | S | B | 0.0000 | Buried |
| 192 | L | B | 0.0000 | Buried |
| 193 | S | B | 0.0000 | Buried |
| 194 | S | B | 0.0000 | Buried |
| 195 | V | B | 0.0000 | Buried |
| 196 | V | B | 0.0000 | Buried |
| 197 | T | B | -0.1141 | Soluble |
| 198 | V | B | 0.0000 | Buried |
| 199 | P | B | -0.5042 | Soluble |
| 200 | S | B | -0.5816 | Soluble |
| 201 | S | B | -0.6023 | Soluble |
| 202 | S | B | -0.6483 | Soluble |
| 203 | L | B | -0.8588 | Soluble |
| 204 | G | B | -1.0129 | Soluble |
| 205 | T | B | -0.8603 | Soluble |
| 206 | Q | B | -1.4882 | Soluble |
| 207 | T | B | -1.3088 | Soluble |
| 208 | Y | B | 0.0000 | Buried |
| 209 | I | B | -1.5053 | Soluble |
| 210 | C | B | 0.0000 | Buried |
| 211 | N | B | -1.6462 | Soluble |
| 212 | V | B | 0.0000 | Buried |
| 213 | N | B | -2.0359 | Soluble |
| 214 | H | B | 0.0000 | Buried |
| 215 | K | B | -2.8768 | Soluble |
| 216 | P | B | -1.6742 | Soluble |
| 217 | S | B | -1.9412 | Soluble |
| 218 | N | B | -2.6431 | Soluble |
| 219 | T | B | -2.1017 | Soluble |
| 220 | K | B | -2.7215 | Soluble |
| 221 | V | B | -1.7323 | Soluble |
| 222 | D | B | -2.6621 | Soluble |
| 223 | K | B | -2.2317 | Soluble |
| 224 | R | B | -2.7816 | Soluble |
| 225 | V | B | 0.0000 | Buried |
| 226 | E | B | -2.9559 | Soluble |
| 227 | P | B | -1.9650 | Soluble |
| 228 | K | B | -2.2917 | Soluble |
| 1 | D | A | -1.2315 | Soluble |
| 2 | I | A | -0.3024 | Soluble |
| 3 | L | A | 0.6811 | Aggregation-prone |
| 4 | L | A | 0.0000 | Buried |
| 5 | T | A | -0.3540 | Soluble |
| 6 | Q | A | 0.0000 | Buried |
| 7 | S | A | 0.0859 | Aggregation-prone |
| 8 | P | A | 0.8330 | Aggregation-prone |
| 9 | V | A | 1.8993 | Aggregation-prone |
| 10 | I | A | 1.4477 | Aggregation-prone |
| 11 | L | A | 0.6386 | Aggregation-prone |
| 12 | S | A | -0.2461 | Soluble |
| 13 | V | A | -1.1969 | Soluble |
| 14 | S | A | -1.6779 | Soluble |
| 15 | P | A | -1.9292 | Soluble |
| 16 | G | A | -1.9379 | Soluble |
| 17 | E | A | -2.6268 | Soluble |
| 18 | R | A | -2.8659 | Soluble |
| 19 | V | A | 0.0000 | Buried |
| 20 | S | A | -0.7619 | Soluble |
| 21 | F | A | 0.0000 | Buried |
| 23 | C | A | 0.0000 | Buried |
| 24 | R | A | -2.4620 | Soluble |
| 25 | A | A | -1.3093 | Soluble |
| 26 | S | A | -0.9885 | Soluble |
| 27 | Q | A | -1.3883 | Soluble |
| 28 | S | A | -1.4791 | Soluble |
| 29 | I | A | 0.0000 | Buried |
| 36 | G | A | -0.9076 | Soluble |
| 37 | T | A | -0.6924 | Soluble |
| 38 | N | A | -0.7148 | Soluble |
| 39 | I | A | 0.0000 | Buried |
| 40 | H | A | 0.0000 | Buried |
| 41 | W | A | 0.0000 | Buried |
| 42 | Y | A | 0.0000 | Buried |
| 43 | Q | A | 0.0000 | Buried |
| 44 | Q | A | 0.0000 | Buried |
| 45 | R | A | -1.9224 | Soluble |
| 46 | T | A | -1.6823 | Soluble |
| 47 | N | A | -1.8216 | Soluble |
| 48 | G | A | -1.5146 | Soluble |
| 49 | S | A | -0.9395 | Soluble |
| 50 | P | A | 0.0000 | Buried |
| 51 | R | A | -0.6545 | Soluble |
| 52 | L | A | 0.0000 | Buried |
| 53 | L | A | 0.0000 | Buried |
| 54 | I | A | 0.0000 | Buried |
| 55 | K | A | -0.6468 | Soluble |
| 56 | Y | A | -0.5256 | Soluble |
| 57 | A | A | 0.0000 | Buried |
| 65 | S | A | -1.2754 | Soluble |
| 66 | E | A | -1.9933 | Soluble |
| 67 | S | A | -1.1900 | Soluble |
| 68 | I | A | -0.5282 | Soluble |
| 69 | S | A | -0.3288 | Soluble |
| 70 | G | A | -0.4837 | Soluble |
| 71 | I | A | -0.2701 | Soluble |
| 72 | P | A | -0.3334 | Soluble |
| 74 | S | A | -0.5150 | Soluble |
| 75 | R | A | -0.9483 | Soluble |
| 76 | F | A | 0.0000 | Buried |
| 77 | S | A | -0.8575 | Soluble |
| 78 | G | A | -0.7579 | Soluble |
| 79 | S | A | -0.8717 | Soluble |
| 80 | G | A | -1.0540 | Soluble |
| 83 | S | A | -1.0931 | Soluble |
| 84 | G | A | -1.2945 | Soluble |
| 85 | T | A | -1.8924 | Soluble |
| 86 | D | A | -2.4493 | Soluble |
| 87 | F | A | 0.0000 | Buried |
| 88 | T | A | -0.8714 | Soluble |
| 89 | L | A | 0.0000 | Buried |
| 90 | S | A | -0.8502 | Soluble |
| 91 | I | A | 0.0000 | Buried |
| 92 | N | A | -1.9659 | Soluble |
| 93 | S | A | -2.0033 | Soluble |
| 94 | V | A | 0.0000 | Buried |
| 95 | E | A | -2.0138 | Soluble |
| 96 | S | A | -2.0564 | Soluble |
| 97 | E | A | -2.1145 | Soluble |
| 98 | D | A | 0.0000 | Buried |
| 99 | I | A | -1.3806 | Soluble |
| 100 | A | A | -1.2153 | Soluble |
| 101 | D | A | -0.6874 | Soluble |
| 102 | Y | A | 0.0000 | Buried |
| 103 | Y | A | 0.0000 | Buried |
| 104 | C | A | 0.0000 | Buried |
| 105 | Q | A | 0.0000 | Buried |
| 106 | Q | A | 0.0000 | Buried |
| 107 | N | A | -0.4971 | Soluble |
| 108 | N | A | -1.0406 | Soluble |
| 109 | N | A | -0.8729 | Soluble |
| 114 | W | A | 0.1913 | Aggregation-prone |
| 115 | P | A | 0.0000 | Buried |
| 116 | T | A | 0.0000 | Buried |
| 117 | T | A | -0.0114 | Soluble |
| 118 | F | A | 0.1726 | Aggregation-prone |
| 119 | G | A | 0.0000 | Buried |
| 120 | A | A | 0.0207 | Aggregation-prone |
| 121 | G | A | 0.1527 | Aggregation-prone |
| 122 | T | A | 0.0000 | Buried |
| 123 | K | A | -0.3465 | Soluble |
| 124 | L | A | 0.0000 | Buried |
| 125 | E | A | -0.7823 | Soluble |
| 126 | L | A | 0.0000 | Buried |
| 127 | K | A | -1.5317 | Soluble |
| 128 | R | A | -1.1408 | Soluble |
| 129 | T | A | -0.0488 | Soluble |
| 130 | V | A | 0.6137 | Aggregation-prone |
| 131 | A | A | 0.1603 | Aggregation-prone |
| 132 | A | A | -0.0151 | Soluble |
| 133 | P | A | 0.0000 | Buried |
| 134 | S | A | -0.2393 | Soluble |
| 135 | V | A | 0.0000 | Buried |
| 136 | F | A | 0.0000 | Buried |
| 137 | I | A | 0.0000 | Buried |
| 138 | F | A | 0.0000 | Buried |
| 139 | P | A | -0.6404 | Soluble |
| 140 | P | A | 0.0000 | Buried |
| 141 | S | A | -1.2550 | Soluble |
| 142 | D | A | -2.1343 | Soluble |
| 144 | Q | A | 0.0000 | Buried |
| 145 | L | A | -1.8487 | Soluble |
| 146 | K | A | -2.3260 | Soluble |
| 147 | S | A | -1.4653 | Soluble |
| 148 | G | A | -1.3148 | Soluble |
| 149 | T | A | -0.9622 | Soluble |
| 150 | A | A | 0.0000 | Buried |
| 151 | S | A | 0.0000 | Buried |
| 152 | V | A | 0.0000 | Buried |
| 153 | V | A | 0.0000 | Buried |
| 154 | C | A | 0.0000 | Buried |
| 155 | L | A | 0.0000 | Buried |
| 156 | L | A | 0.0000 | Buried |
| 157 | N | A | 0.0000 | Buried |
| 158 | N | A | -0.6794 | Soluble |
| 159 | F | A | 0.0000 | Buried |
| 160 | Y | A | -0.7738 | Soluble |
| 161 | P | A | -1.3099 | Soluble |
| 162 | R | A | -2.1744 | Soluble |
| 163 | E | A | -2.9070 | Soluble |
| 164 | A | A | -2.1394 | Soluble |
| 165 | K | A | -2.3635 | Soluble |
| 166 | V | A | -1.3385 | Soluble |
| 167 | Q | A | -0.9450 | Soluble |
| 168 | W | A | 0.0000 | Buried |
| 169 | K | A | -0.6791 | Soluble |
| 170 | V | A | 0.0000 | Buried |
| 171 | D | A | -2.0549 | Soluble |
| 172 | N | A | -1.5597 | Soluble |
| 173 | A | A | -0.3348 | Soluble |
| 174 | L | A | 0.5386 | Aggregation-prone |
| 175 | Q | A | -0.5397 | Soluble |
| 176 | S | A | -0.7282 | Soluble |
| 177 | G | A | -1.3177 | Soluble |
| 178 | N | A | -1.6573 | Soluble |
| 179 | S | A | -1.6013 | Soluble |
| 180 | Q | A | -1.7123 | Soluble |
| 181 | E | A | -2.1276 | Soluble |
| 182 | S | A | -0.9187 | Soluble |
| 183 | V | A | -0.5468 | Soluble |
| 184 | T | A | -0.9044 | Soluble |
| 185 | E | A | -1.9762 | Soluble |
| 186 | Q | A | 0.0000 | Buried |
| 187 | D | A | -1.8853 | Soluble |
| 188 | S | A | -2.1708 | Soluble |
| 189 | K | A | -2.5035 | Soluble |
| 190 | D | A | -1.7015 | Soluble |
| 191 | S | A | 0.0000 | Buried |
| 192 | T | A | 0.0000 | Buried |
| 193 | Y | A | 0.0000 | Buried |
| 194 | S | A | 0.0000 | Buried |
| 195 | L | A | 0.0000 | Buried |
| 196 | S | A | 0.0000 | Buried |
| 197 | S | A | 0.0000 | Buried |
| 198 | T | A | -0.8299 | Soluble |
| 199 | L | A | 0.0000 | Buried |
| 200 | T | A | -0.7233 | Soluble |
| 201 | L | A | -0.9484 | Soluble |
| 202 | S | A | -1.2528 | Soluble |
| 203 | K | A | -2.3748 | Soluble |
| 204 | A | A | -2.1816 | Soluble |
| 205 | D | A | -2.9213 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | E | A | -3.8752 | Soluble |
| 208 | K | A | -3.8635 | Soluble |
| 209 | H | A | -3.1866 | Soluble |
| 210 | K | A | -3.1532 | Soluble |
| 211 | V | A | -1.3742 | Soluble |
| 212 | Y | A | 0.0000 | Buried |
| 213 | A | A | 0.0000 | Buried |
| 214 | C | A | 0.0000 | Buried |
| 215 | E | A | -1.0500 | Soluble |
| 216 | V | A | 0.0000 | Buried |
| 217 | T | A | -1.2914 | Soluble |
| 218 | H | A | 0.0000 | Buried |
| 219 | Q | A | -1.4397 | Soluble |
| 220 | G | A | -0.3219 | Soluble |
| 221 | L | A | -0.1858 | Soluble |
| 222 | S | A | -0.4533 | Soluble |
| 223 | S | A | -0.4194 | Soluble |
| 224 | P | A | -0.6940 | Soluble |
| 225 | V | A | -0.0886 | Soluble |
| 226 | T | A | -0.5532 | Soluble |
| 227 | K | A | -0.7526 | Soluble |
| 228 | S | A | -0.6253 | Soluble |
| 229 | F | A | -0.7534 | Soluble |
| 230 | N | A | -1.7317 | Soluble |
| 231 | R | A | -2.3376 | Soluble |
| 232 | G | A | -1.4428 | Soluble |
| 233 | A | A | -0.9534 | 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 | -0.6901 | 2.7292 | CSV PDB |
| 4.5 | -0.724 | 2.6611 | CSV PDB |
| 5.0 | -0.765 | 2.5814 | CSV PDB |
| 5.5 | -0.8044 | 2.4972 | CSV PDB |
| 6.0 | -0.8322 | 2.4114 | CSV PDB |
| 6.5 | -0.8402 | 2.3252 | CSV PDB |
| 7.0 | -0.8276 | 2.2391 | CSV PDB |
| 7.5 | -0.801 | 2.2151 | CSV PDB |
| 8.0 | -0.7669 | 2.2146 | CSV PDB |
| 8.5 | -0.728 | 2.2276 | CSV PDB |
| 9.0 | -0.6844 | 2.3094 | CSV PDB |