Calculation Parameters
| Chain Sequence(s) |
QVQLKQSGPGLVQPSQSLSITCTVSGFDLTDYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYADESIDGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
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 |
|---|---|---|---|---|
| 1 | Q | B | -1.4637 | Soluble |
| 2 | V | B | -1.0797 | Soluble |
| 3 | Q | B | -1.5692 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | K | B | -1.9721 | Soluble |
| 6 | Q | B | 0.0000 | Buried |
| 7 | S | B | -0.7054 | Soluble |
| 8 | G | B | -1.0090 | Soluble |
| 9 | P | B | -0.5082 | Soluble |
| 11 | G | B | -0.4382 | Soluble |
| 12 | L | B | -0.0069 | Soluble |
| 13 | V | B | -0.6642 | Soluble |
| 14 | Q | B | -1.2700 | Soluble |
| 15 | P | B | -1.4893 | Soluble |
| 16 | S | B | -1.5131 | Soluble |
| 17 | Q | B | -1.9440 | Soluble |
| 18 | S | B | -1.5635 | Soluble |
| 19 | L | B | 0.0000 | Buried |
| 20 | S | B | -0.5437 | Soluble |
| 21 | I | B | 0.0000 | Buried |
| 22 | T | B | -0.3957 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | T | B | -1.0530 | Soluble |
| 25 | V | B | 0.0000 | Buried |
| 26 | S | B | -1.4647 | Soluble |
| 27 | G | B | -1.3285 | Soluble |
| 28 | F | B | -1.4786 | Soluble |
| 29 | D | B | -2.6462 | Soluble |
| 30 | L | B | 0.0000 | Buried |
| 35 | T | B | -1.6913 | Soluble |
| 36 | D | B | -1.8999 | Soluble |
| 37 | Y | B | -0.2112 | Soluble |
| 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 | -0.4508 | Soluble |
| 44 | Q | B | -0.7636 | Soluble |
| 45 | S | B | -1.1341 | Soluble |
| 46 | P | B | -1.1220 | Soluble |
| 47 | G | B | -1.4641 | Soluble |
| 48 | K | B | -2.1878 | Soluble |
| 49 | G | B | -1.2184 | Soluble |
| 50 | L | B | 0.0000 | Buried |
| 51 | E | B | -0.8809 | 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 | -0.6059 | Soluble |
| 58 | S | B | -0.9849 | Soluble |
| 59 | G | B | -1.2926 | Soluble |
| 63 | G | B | -1.5182 | Soluble |
| 64 | N | B | -1.8417 | Soluble |
| 65 | T | B | -1.3002 | Soluble |
| 66 | D | B | -1.0271 | Soluble |
| 67 | Y | B | -0.4242 | Soluble |
| 68 | N | B | -0.2833 | Soluble |
| 69 | T | B | -0.3530 | Soluble |
| 70 | P | B | -0.3940 | Soluble |
| 71 | F | B | 0.0000 | Buried |
| 72 | T | B | -0.4766 | Soluble |
| 74 | S | B | -0.5447 | Soluble |
| 75 | R | B | -0.9048 | Soluble |
| 76 | L | B | 0.0000 | Buried |
| 77 | S | B | -0.9265 | Soluble |
| 78 | I | B | 0.0000 | Buried |
| 79 | N | B | -1.7004 | Soluble |
| 80 | K | B | -1.4688 | Soluble |
| 81 | D | B | -1.8571 | Soluble |
| 82 | N | B | -2.4622 | Soluble |
| 83 | S | B | -1.8473 | Soluble |
| 84 | K | B | -2.5281 | Soluble |
| 85 | S | B | -1.9269 | Soluble |
| 86 | Q | B | -1.4611 | Soluble |
| 87 | V | B | 0.0000 | Buried |
| 88 | F | B | -0.1572 | Soluble |
| 89 | F | B | 0.0000 | Buried |
| 90 | K | B | -1.2878 | Soluble |
| 91 | M | B | 0.0000 | Buried |
| 92 | N | B | -1.6204 | Soluble |
| 93 | S | B | -1.4289 | Soluble |
| 94 | L | B | 0.0000 | Buried |
| 95 | Q | B | -2.0272 | Soluble |
| 96 | S | B | -1.4607 | Soluble |
| 97 | N | B | -1.7603 | Soluble |
| 98 | D | B | 0.0000 | Buried |
| 99 | T | B | -0.5622 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | I | B | 0.4420 | 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 | 1.0801 | Aggregation-prone |
| 109 | T | B | 1.1209 | Aggregation-prone |
| 110 | Y | B | 1.7264 | Aggregation-prone |
| 111 | Y | B | 1.9085 | Aggregation-prone |
| 112 | D | B | 0.0000 | Buried |
| 113 | Y | B | 0.6231 | Aggregation-prone |
| 114 | E | B | 0.0000 | Buried |
| 115 | F | B | 0.0000 | Buried |
| 116 | A | B | 0.0674 | Aggregation-prone |
| 117 | Y | B | 0.0816 | Aggregation-prone |
| 118 | W | B | -0.4954 | Soluble |
| 119 | G | B | 0.0000 | Buried |
| 120 | Q | B | -1.7311 | Soluble |
| 121 | G | B | -0.8412 | Soluble |
| 122 | T | B | 0.0000 | Buried |
| 123 | L | B | 0.1325 | Aggregation-prone |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | -0.2936 | Soluble |
| 126 | V | B | 0.0000 | Buried |
| 127 | S | B | -0.5781 | Soluble |
| 128 | A | B | -0.2422 | Soluble |
| 129 | A | B | -0.2957 | Soluble |
| 130 | S | B | -0.5407 | Soluble |
| 131 | T | B | -0.7382 | Soluble |
| 132 | K | B | -1.5215 | Soluble |
| 133 | G | B | -1.6631 | Soluble |
| 134 | P | B | -0.8065 | Soluble |
| 135 | S | B | -0.5284 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | 0.0000 | Buried |
| 138 | P | B | -1.3433 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | -0.9854 | Soluble |
| 141 | P | B | -0.7688 | Soluble |
| 142 | G | B | -0.6331 | Soluble |
| 143 | T | B | -0.4793 | Soluble |
| 144 | A | B | -0.2459 | Soluble |
| 145 | A | B | 0.0000 | Buried |
| 146 | L | B | 0.0000 | Buried |
| 147 | G | B | 0.0000 | Buried |
| 148 | C | B | 0.0000 | Buried |
| 149 | L | B | 0.0000 | Buried |
| 150 | V | B | 0.0000 | Buried |
| 151 | K | B | 0.0000 | Buried |
| 152 | D | B | -0.6354 | Soluble |
| 153 | Y | B | 0.0000 | Buried |
| 154 | F | B | 0.0000 | Buried |
| 155 | P | B | 0.0000 | Buried |
| 156 | E | B | -0.5636 | Soluble |
| 157 | P | B | -0.7688 | Soluble |
| 158 | V | B | -0.8405 | Soluble |
| 159 | T | B | -0.7559 | Soluble |
| 160 | V | B | -0.4297 | Soluble |
| 161 | S | B | -0.4351 | Soluble |
| 162 | W | B | 0.0000 | Buried |
| 163 | N | B | -0.7479 | Soluble |
| 164 | S | B | -0.6412 | Soluble |
| 165 | G | B | -0.5369 | Soluble |
| 166 | A | B | -0.2402 | Soluble |
| 167 | L | B | -0.0098 | Soluble |
| 168 | T | B | -0.1666 | Soluble |
| 169 | S | B | -0.1802 | Soluble |
| 170 | G | B | -0.2133 | Soluble |
| 171 | V | B | 0.1702 | Aggregation-prone |
| 172 | H | B | -0.2582 | Soluble |
| 173 | T | B | 0.0518 | Aggregation-prone |
| 174 | F | B | 0.0000 | Buried |
| 175 | P | B | -0.2099 | Soluble |
| 176 | A | B | 0.2208 | Aggregation-prone |
| 177 | V | B | 0.4746 | Aggregation-prone |
| 178 | L | B | 1.1267 | Aggregation-prone |
| 179 | Q | B | 0.2256 | Aggregation-prone |
| 180 | S | B | -0.0754 | Soluble |
| 181 | S | B | -0.2594 | Soluble |
| 182 | G | B | -0.0271 | Soluble |
| 183 | L | B | -0.0518 | Soluble |
| 184 | Y | B | 0.3069 | Aggregation-prone |
| 185 | S | B | 0.0000 | Buried |
| 186 | L | B | 0.0000 | Buried |
| 187 | S | B | 0.0000 | Buried |
| 188 | S | B | 0.0000 | Buried |
| 189 | V | B | 0.0000 | Buried |
| 190 | V | B | 0.0000 | Buried |
| 191 | T | B | -0.1279 | Soluble |
| 192 | V | B | 0.0000 | Buried |
| 193 | P | B | -0.5718 | Soluble |
| 194 | S | B | -0.4825 | Soluble |
| 195 | S | B | -0.5952 | Soluble |
| 196 | S | B | -0.5862 | Soluble |
| 197 | L | B | -0.8307 | Soluble |
| 198 | G | B | -0.9734 | Soluble |
| 199 | T | B | -0.7069 | Soluble |
| 200 | Q | B | -1.1921 | Soluble |
| 201 | T | B | -1.1250 | Soluble |
| 202 | Y | B | 0.0000 | Buried |
| 203 | I | B | -1.3180 | Soluble |
| 204 | C | B | 0.0000 | Buried |
| 205 | N | B | -1.4524 | Soluble |
| 206 | V | B | 0.0000 | Buried |
| 207 | N | B | -2.4334 | Soluble |
| 208 | H | B | 0.0000 | Buried |
| 209 | K | B | -2.9570 | Soluble |
| 210 | P | B | -1.7324 | Soluble |
| 211 | S | B | -1.9549 | Soluble |
| 212 | N | B | -2.7290 | Soluble |
| 213 | T | B | -2.2498 | Soluble |
| 214 | K | B | -2.8115 | Soluble |
| 215 | V | B | -1.4975 | Soluble |
| 216 | D | B | -2.1862 | Soluble |
| 217 | K | B | -2.0222 | Soluble |
| 218 | K | B | -2.4535 | Soluble |
| 219 | V | B | 0.0000 | Buried |
| 220 | E | B | -2.7875 | Soluble |
| 221 | P | B | -1.9144 | Soluble |
| 222 | K | B | -2.5276 | Soluble |
| 223 | S | B | -1.3029 | Soluble |
| 1 | D | A | -1.4319 | Soluble |
| 2 | I | A | 0.0000 | Buried |
| 3 | L | A | 0.7738 | Aggregation-prone |
| 4 | L | A | 0.0000 | Buried |
| 5 | T | A | -0.0496 | Soluble |
| 6 | Q | A | 0.1589 | Aggregation-prone |
| 7 | S | A | 0.4333 | Aggregation-prone |
| 8 | P | A | 1.0444 | Aggregation-prone |
| 9 | V | A | 2.1792 | Aggregation-prone |
| 10 | I | A | 2.0294 | Aggregation-prone |
| 11 | L | A | 0.9344 | Aggregation-prone |
| 12 | S | A | 0.1392 | Aggregation-prone |
| 13 | V | A | -0.8344 | Soluble |
| 14 | S | A | -1.6354 | Soluble |
| 15 | P | A | -1.9698 | Soluble |
| 16 | G | A | -2.1135 | Soluble |
| 17 | E | A | -2.9377 | Soluble |
| 18 | R | A | -3.1148 | Soluble |
| 19 | V | A | 0.0000 | Buried |
| 20 | S | A | -0.9343 | Soluble |
| 21 | F | A | 0.0000 | Buried |
| 22 | S | A | -0.5868 | Soluble |
| 23 | C | A | 0.0000 | Buried |
| 24 | R | A | -1.5268 | Soluble |
| 25 | A | A | 0.0000 | Buried |
| 26 | S | A | -0.8155 | Soluble |
| 27 | Q | A | -1.5632 | Soluble |
| 28 | S | A | -1.4362 | Soluble |
| 29 | I | A | 0.0000 | Buried |
| 36 | G | A | -1.0383 | Soluble |
| 37 | T | A | -1.0338 | Soluble |
| 38 | N | A | -0.9403 | 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 | -1.0841 | Soluble |
| 45 | R | A | -1.7186 | Soluble |
| 46 | T | A | -1.4799 | Soluble |
| 47 | N | A | -1.8829 | Soluble |
| 48 | G | A | -1.4028 | Soluble |
| 49 | S | A | -0.9271 | Soluble |
| 50 | P | A | 0.0000 | Buried |
| 51 | R | A | -0.6375 | Soluble |
| 52 | L | A | 0.0000 | Buried |
| 53 | L | A | 0.0000 | Buried |
| 54 | I | A | 0.0000 | Buried |
| 55 | K | A | -1.1049 | Soluble |
| 56 | Y | A | -1.0076 | Soluble |
| 57 | A | A | 0.0000 | Buried |
| 65 | D | A | -2.8381 | Soluble |
| 66 | E | A | -2.7234 | Soluble |
| 67 | S | A | -1.9109 | Soluble |
| 68 | I | A | -1.4409 | Soluble |
| 69 | D | A | -1.9220 | Soluble |
| 70 | G | A | -1.2434 | Soluble |
| 71 | I | A | -0.7252 | Soluble |
| 72 | P | A | -0.5439 | Soluble |
| 74 | S | A | -0.7218 | Soluble |
| 75 | R | A | -1.0606 | Soluble |
| 76 | F | A | 0.0000 | Buried |
| 77 | S | A | -1.3215 | Soluble |
| 78 | G | A | -1.4211 | Soluble |
| 79 | S | A | -1.4390 | Soluble |
| 80 | G | A | -1.3468 | Soluble |
| 83 | S | A | -1.1759 | Soluble |
| 84 | G | A | -1.2620 | Soluble |
| 85 | T | A | -1.7250 | Soluble |
| 86 | D | A | -2.4711 | Soluble |
| 87 | F | A | 0.0000 | Buried |
| 88 | T | A | -1.0153 | Soluble |
| 89 | L | A | 0.0000 | Buried |
| 90 | S | A | -0.9236 | Soluble |
| 91 | I | A | 0.0000 | Buried |
| 92 | N | A | -2.3658 | Soluble |
| 93 | S | A | -2.2439 | Soluble |
| 94 | V | A | 0.0000 | Buried |
| 95 | E | A | -2.1986 | Soluble |
| 96 | S | A | -2.1859 | Soluble |
| 97 | E | A | -2.2304 | Soluble |
| 98 | D | A | 0.0000 | Buried |
| 99 | I | A | -1.3570 | Soluble |
| 100 | A | A | 0.0000 | Buried |
| 101 | D | A | -0.5226 | 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 | -0.6143 | Soluble |
| 108 | N | A | -1.2789 | Soluble |
| 109 | N | A | -1.0644 | Soluble |
| 114 | W | A | 0.1247 | Aggregation-prone |
| 115 | P | A | -0.2888 | Soluble |
| 116 | T | A | 0.0000 | Buried |
| 117 | T | A | -0.1422 | Soluble |
| 118 | F | A | 0.2590 | Aggregation-prone |
| 119 | G | A | 0.0000 | Buried |
| 120 | A | A | -0.2416 | Soluble |
| 121 | G | A | -0.1524 | Soluble |
| 122 | T | A | 0.0000 | Buried |
| 123 | K | A | -0.3284 | Soluble |
| 124 | L | A | 0.0000 | Buried |
| 125 | E | A | -0.5942 | Soluble |
| 126 | L | A | 0.0000 | Buried |
| 127 | K | A | -1.4011 | Soluble |
| 128 | R | A | -1.1280 | Soluble |
| 129 | T | A | -0.1146 | Soluble |
| 130 | V | A | 0.3500 | Aggregation-prone |
| 131 | A | A | -0.0368 | Soluble |
| 132 | A | A | -0.1109 | Soluble |
| 133 | P | A | 0.0000 | Buried |
| 134 | S | A | -0.1490 | Soluble |
| 135 | V | A | 0.0000 | Buried |
| 136 | F | A | 0.0744 | Aggregation-prone |
| 137 | I | A | 0.0174 | Aggregation-prone |
| 138 | F | A | 0.0000 | Buried |
| 139 | P | A | -0.4941 | Soluble |
| 140 | P | A | -0.8210 | Soluble |
| 141 | S | A | 0.0000 | Buried |
| 142 | D | A | -3.2248 | Soluble |
| 143 | E | A | -3.2213 | Soluble |
| 144 | Q | A | 0.0000 | Buried |
| 145 | L | A | -2.3343 | Soluble |
| 146 | K | A | -2.8422 | Soluble |
| 147 | S | A | -1.7368 | Soluble |
| 148 | G | A | -1.1807 | Soluble |
| 149 | T | A | -0.9927 | 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 | -0.9106 | Soluble |
| 159 | F | A | 0.0000 | Buried |
| 160 | Y | A | -1.0956 | Soluble |
| 161 | P | A | -1.6430 | Soluble |
| 162 | R | A | -2.9071 | Soluble |
| 163 | E | A | -3.1002 | Soluble |
| 164 | A | A | -2.1830 | Soluble |
| 165 | K | A | -2.1748 | Soluble |
| 166 | V | A | -1.0059 | Soluble |
| 167 | Q | A | -0.7613 | Soluble |
| 168 | W | A | 0.0000 | Buried |
| 169 | K | A | -0.7494 | Soluble |
| 170 | V | A | 0.0000 | Buried |
| 171 | D | A | -1.5160 | Soluble |
| 172 | N | A | -1.4297 | Soluble |
| 173 | A | A | -0.3579 | Soluble |
| 174 | L | A | 0.2708 | Aggregation-prone |
| 175 | Q | A | -0.5780 | Soluble |
| 176 | S | A | -0.7708 | Soluble |
| 177 | G | A | -1.3155 | Soluble |
| 178 | N | A | -1.6693 | Soluble |
| 179 | S | A | -1.5155 | Soluble |
| 180 | Q | A | -1.5038 | Soluble |
| 181 | E | A | -1.5824 | Soluble |
| 182 | S | A | -0.7555 | Soluble |
| 183 | V | A | -0.6878 | Soluble |
| 184 | T | A | 0.0000 | Buried |
| 185 | E | A | -1.9154 | Soluble |
| 186 | Q | A | 0.0000 | Buried |
| 187 | D | A | -1.9434 | Soluble |
| 188 | S | A | -2.2632 | Soluble |
| 189 | K | A | -2.6569 | Soluble |
| 190 | D | A | -1.9369 | 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 | -0.7238 | Soluble |
| 199 | L | A | 0.0000 | Buried |
| 200 | T | A | -0.6848 | Soluble |
| 201 | L | A | -0.8634 | Soluble |
| 202 | S | A | -1.0558 | Soluble |
| 203 | K | A | -2.0571 | Soluble |
| 204 | A | A | -1.9525 | Soluble |
| 205 | D | A | -2.6769 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | E | A | -3.7306 | Soluble |
| 208 | K | A | -3.7136 | Soluble |
| 209 | H | A | -2.9331 | Soluble |
| 210 | K | A | -3.0646 | Soluble |
| 211 | V | A | -1.0411 | Soluble |
| 212 | Y | A | 0.0000 | Buried |
| 213 | A | A | 0.0000 | Buried |
| 214 | C | A | 0.0000 | Buried |
| 215 | E | A | -0.8902 | Soluble |
| 216 | V | A | 0.0000 | Buried |
| 217 | T | A | -1.1206 | Soluble |
| 218 | H | A | 0.0000 | Buried |
| 219 | Q | A | -1.7027 | Soluble |
| 220 | G | A | -0.4227 | Soluble |
| 221 | L | A | -0.2651 | Soluble |
| 222 | S | A | -0.4728 | Soluble |
| 223 | S | A | -0.4333 | Soluble |
| 224 | P | A | -0.5135 | Soluble |
| 225 | V | A | -0.0356 | Soluble |
| 226 | T | A | -0.4789 | Soluble |
| 227 | K | A | -0.6130 | Soluble |
| 228 | S | A | -0.4844 | Soluble |
| 229 | F | A | -0.8951 | Soluble |
| 230 | N | A | -1.8255 | Soluble |
| 231 | R | A | -2.5217 | Soluble |
| 232 | G | A | -2.1374 | Soluble |
| 233 | E | A | -2.5206 | 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 | -0.6263 | 2.8531 | CSV PDB |
| 4.5 | -0.6725 | 2.8047 | CSV PDB |
| 5.0 | -0.7287 | 2.7347 | CSV PDB |
| 5.5 | -0.785 | 2.653 | CSV PDB |
| 6.0 | -0.8299 | 2.5665 | CSV PDB |
| 6.5 | -0.8532 | 2.4784 | CSV PDB |
| 7.0 | -0.8531 | 2.5013 | CSV PDB |
| 7.5 | -0.8367 | 2.5777 | CSV PDB |
| 8.0 | -0.8108 | 2.6829 | CSV PDB |
| 8.5 | -0.7779 | 2.8131 | CSV PDB |
| 9.0 | -0.7377 | 2.9458 | CSV PDB |