Calculation Parameters
| Chain Sequence(s) |
VQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA
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 | 0.5356 | Aggregation-prone |
| 3 | Q | B | -1.0645 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | K | B | -2.2484 | Soluble |
| 6 | Q | B | 0.0000 | Buried |
| 7 | S | B | -0.8584 | Soluble |
| 8 | G | B | -1.1903 | Soluble |
| 9 | P | B | -0.5148 | Soluble |
| 11 | G | B | -0.4502 | Soluble |
| 12 | L | B | -0.1483 | Soluble |
| 13 | V | B | 0.0000 | Buried |
| 14 | Q | B | -1.8029 | Soluble |
| 15 | P | B | -1.5905 | Soluble |
| 16 | S | B | -1.5826 | Soluble |
| 17 | Q | B | -1.9347 | Soluble |
| 18 | S | B | -1.5270 | Soluble |
| 19 | L | B | 0.0000 | Buried |
| 20 | S | B | -0.5193 | Soluble |
| 21 | I | B | 0.0000 | Buried |
| 22 | T | B | -0.4371 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | T | B | -1.1114 | Soluble |
| 25 | V | B | 0.0000 | Buried |
| 26 | S | B | -0.7931 | Soluble |
| 27 | G | B | -0.2139 | Soluble |
| 28 | F | B | -0.1448 | Soluble |
| 29 | S | B | -0.7955 | Soluble |
| 30 | L | B | 0.0000 | Buried |
| 35 | T | B | -0.9111 | Soluble |
| 36 | N | B | -0.8615 | Soluble |
| 37 | Y | B | 0.4379 | 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 | -0.4609 | Soluble |
| 45 | S | B | 0.0000 | Buried |
| 46 | P | B | -1.2024 | Soluble |
| 47 | G | B | -1.7742 | Soluble |
| 48 | K | B | -2.2486 | Soluble |
| 49 | G | B | -1.1437 | Soluble |
| 50 | L | B | 0.0000 | Buried |
| 51 | E | B | 0.0000 | Buried |
| 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 | -0.4751 | Soluble |
| 58 | S | B | -0.6201 | Soluble |
| 59 | G | B | -1.2211 | Soluble |
| 63 | G | B | -1.5380 | Soluble |
| 64 | N | B | -1.8593 | Soluble |
| 65 | T | B | -1.3223 | Soluble |
| 66 | D | B | -1.0429 | Soluble |
| 67 | Y | B | -0.4286 | Soluble |
| 68 | N | B | -0.1617 | Soluble |
| 69 | T | B | -0.2269 | Soluble |
| 70 | P | B | -0.3969 | Soluble |
| 71 | F | B | 0.0000 | Buried |
| 72 | T | B | -0.4794 | Soluble |
| 74 | S | B | -0.5609 | Soluble |
| 75 | R | B | -0.8886 | Soluble |
| 76 | L | B | 0.0000 | Buried |
| 77 | S | B | -0.9168 | Soluble |
| 78 | I | B | 0.0000 | Buried |
| 79 | N | B | -1.6482 | Soluble |
| 80 | K | B | -1.4000 | Soluble |
| 81 | D | B | -1.7829 | Soluble |
| 82 | N | B | -2.2403 | Soluble |
| 83 | S | B | -1.7019 | Soluble |
| 84 | K | B | -2.3778 | Soluble |
| 85 | S | B | -1.6383 | Soluble |
| 86 | Q | B | -1.4808 | Soluble |
| 87 | V | B | 0.0000 | Buried |
| 88 | F | B | -0.1020 | Soluble |
| 89 | F | B | 0.0000 | Buried |
| 90 | K | B | -1.1814 | Soluble |
| 91 | M | B | 0.0000 | Buried |
| 92 | N | B | -1.5066 | Soluble |
| 93 | S | B | -1.4495 | Soluble |
| 94 | L | B | 0.0000 | Buried |
| 95 | Q | B | -2.1601 | Soluble |
| 96 | S | B | -1.5862 | Soluble |
| 97 | N | B | -2.0825 | Soluble |
| 98 | D | B | 0.0000 | Buried |
| 99 | T | B | -0.6254 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | I | B | 0.5024 | 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 | 1.0748 | Aggregation-prone |
| 109 | T | B | 1.1684 | Aggregation-prone |
| 110 | Y | B | 1.8917 | Aggregation-prone |
| 111 | Y | B | 1.9806 | Aggregation-prone |
| 112 | D | B | 0.0000 | Buried |
| 113 | Y | B | 0.6178 | Aggregation-prone |
| 114 | E | B | 0.0000 | Buried |
| 115 | F | B | 0.0000 | Buried |
| 116 | A | B | 0.2610 | Aggregation-prone |
| 117 | Y | B | 0.1990 | Aggregation-prone |
| 118 | W | B | 0.0000 | Buried |
| 119 | G | B | 0.0000 | Buried |
| 120 | Q | B | -1.8319 | Soluble |
| 121 | G | B | -0.8860 | Soluble |
| 122 | T | B | 0.0000 | Buried |
| 123 | L | B | 0.2516 | Aggregation-prone |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | -0.3681 | Soluble |
| 126 | V | B | 0.0000 | Buried |
| 127 | S | B | -0.6293 | Soluble |
| 128 | A | B | -0.4356 | Soluble |
| 129 | A | B | -0.3375 | Soluble |
| 130 | S | B | -0.5495 | Soluble |
| 131 | T | B | -0.7239 | Soluble |
| 132 | K | B | -1.2184 | Soluble |
| 133 | G | B | -1.3425 | Soluble |
| 134 | P | B | 0.0000 | Buried |
| 135 | S | B | -0.4386 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | 0.0000 | Buried |
| 138 | P | B | -1.3756 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | -1.3021 | Soluble |
| 141 | P | B | 0.0000 | Buried |
| 142 | S | B | -0.8246 | Soluble |
| 143 | G | B | -0.7627 | Soluble |
| 144 | G | B | -0.8858 | Soluble |
| 145 | T | B | -0.6310 | Soluble |
| 146 | A | B | 0.0000 | Buried |
| 147 | A | B | 0.0000 | Buried |
| 148 | L | B | 0.0000 | Buried |
| 149 | G | B | 0.0000 | Buried |
| 150 | C | B | 0.0000 | Buried |
| 151 | L | B | 0.0000 | Buried |
| 152 | V | B | 0.0000 | Buried |
| 153 | K | B | 0.0000 | Buried |
| 154 | D | B | -0.4634 | Soluble |
| 155 | Y | B | 0.0000 | Buried |
| 156 | F | B | 0.0000 | Buried |
| 157 | P | B | 0.0000 | Buried |
| 158 | E | B | -0.3296 | Soluble |
| 159 | P | B | -0.4898 | Soluble |
| 160 | V | B | -0.5469 | Soluble |
| 161 | T | B | -0.4875 | Soluble |
| 162 | V | B | -0.0973 | Soluble |
| 163 | S | B | -0.3267 | Soluble |
| 164 | W | B | 0.0000 | Buried |
| 165 | N | B | -0.8148 | Soluble |
| 166 | S | B | -0.6420 | Soluble |
| 167 | G | B | -0.5655 | Soluble |
| 168 | A | B | -0.2323 | Soluble |
| 169 | L | B | -0.0011 | Soluble |
| 170 | T | B | -0.1710 | Soluble |
| 171 | S | B | -0.2109 | Soluble |
| 172 | G | B | -0.2833 | Soluble |
| 173 | V | B | 0.1426 | Aggregation-prone |
| 174 | H | B | -0.2749 | Soluble |
| 175 | T | B | 0.0610 | Aggregation-prone |
| 176 | F | B | 0.0000 | Buried |
| 177 | P | B | -0.2971 | Soluble |
| 178 | A | B | 0.3024 | Aggregation-prone |
| 179 | V | B | 0.4852 | Aggregation-prone |
| 180 | L | B | 1.0084 | Aggregation-prone |
| 181 | Q | B | 0.1938 | Aggregation-prone |
| 182 | S | B | -0.1087 | Soluble |
| 183 | S | B | -0.2455 | Soluble |
| 184 | G | B | -0.0006 | Soluble |
| 185 | L | B | 0.1026 | Aggregation-prone |
| 186 | Y | B | 0.4009 | Aggregation-prone |
| 187 | S | B | 0.0000 | Buried |
| 188 | L | B | 0.0000 | Buried |
| 189 | S | B | 0.0000 | Buried |
| 190 | S | B | 0.0000 | Buried |
| 191 | V | B | 0.0000 | Buried |
| 192 | V | B | 0.0000 | Buried |
| 193 | T | B | -0.1529 | Soluble |
| 194 | V | B | 0.0000 | Buried |
| 195 | P | B | -0.5604 | Soluble |
| 196 | S | B | -0.6373 | Soluble |
| 197 | S | B | -0.6231 | Soluble |
| 198 | S | B | -0.6331 | Soluble |
| 199 | L | B | -0.7903 | Soluble |
| 200 | G | B | -0.9353 | Soluble |
| 201 | T | B | -0.7181 | Soluble |
| 202 | Q | B | -1.1800 | Soluble |
| 203 | T | B | -1.1309 | Soluble |
| 204 | Y | B | 0.0000 | Buried |
| 205 | I | B | -1.2963 | Soluble |
| 206 | C | B | 0.0000 | Buried |
| 207 | N | B | -1.3530 | Soluble |
| 208 | V | B | 0.0000 | Buried |
| 209 | N | B | -1.7147 | Soluble |
| 210 | H | B | 0.0000 | Buried |
| 211 | K | B | -2.6436 | Soluble |
| 212 | P | B | -1.5372 | Soluble |
| 213 | S | B | -1.7580 | Soluble |
| 214 | N | B | -2.4777 | Soluble |
| 215 | T | B | -1.9805 | Soluble |
| 216 | K | B | -2.5510 | Soluble |
| 217 | V | B | -1.5440 | Soluble |
| 218 | D | B | -2.2625 | Soluble |
| 219 | K | B | -2.0911 | Soluble |
| 220 | R | B | -2.6244 | Soluble |
| 221 | V | B | 0.0000 | Buried |
| 222 | E | B | -2.9251 | Soluble |
| 223 | P | B | -1.9854 | Soluble |
| 224 | K | B | -2.5518 | Soluble |
| 225 | S | B | -1.3234 | Soluble |
| 1 | D | A | -1.1874 | Soluble |
| 2 | I | A | -0.2216 | Soluble |
| 3 | L | A | 0.7487 | Aggregation-prone |
| 4 | L | A | 0.0000 | Buried |
| 5 | T | A | -0.2264 | Soluble |
| 6 | Q | A | 0.0000 | Buried |
| 7 | S | A | 0.2133 | Aggregation-prone |
| 8 | P | A | 0.8666 | Aggregation-prone |
| 9 | V | A | 1.9140 | Aggregation-prone |
| 10 | I | A | 1.4244 | Aggregation-prone |
| 11 | L | A | 0.5916 | Aggregation-prone |
| 12 | S | A | -0.4155 | Soluble |
| 13 | V | A | 0.0000 | Buried |
| 14 | S | A | -2.0181 | Soluble |
| 15 | P | A | -2.2312 | Soluble |
| 16 | G | A | -2.3093 | Soluble |
| 17 | E | A | -3.0749 | Soluble |
| 18 | R | A | -3.2613 | Soluble |
| 19 | V | A | 0.0000 | Buried |
| 20 | S | A | -0.6991 | Soluble |
| 21 | F | A | 0.0000 | Buried |
| 22 | S | A | -0.7429 | Soluble |
| 23 | C | A | 0.0000 | Buried |
| 24 | R | A | -2.2463 | Soluble |
| 25 | A | A | -1.2529 | Soluble |
| 26 | S | A | -1.0296 | Soluble |
| 27 | Q | A | -1.7352 | Soluble |
| 28 | S | A | -1.6147 | Soluble |
| 29 | I | A | 0.0000 | Buried |
| 36 | G | A | -1.1429 | Soluble |
| 37 | T | A | -0.8786 | Soluble |
| 38 | N | A | -0.8726 | 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 | -1.6966 | Soluble |
| 45 | R | A | -2.6704 | Soluble |
| 46 | T | A | -2.0398 | Soluble |
| 47 | N | A | -2.0078 | Soluble |
| 48 | G | A | -1.8258 | Soluble |
| 49 | S | A | -1.2301 | Soluble |
| 50 | P | A | 0.0000 | Buried |
| 51 | R | A | -1.1433 | Soluble |
| 52 | L | A | 0.0000 | Buried |
| 53 | L | A | 0.0000 | Buried |
| 54 | I | A | 0.0000 | Buried |
| 55 | K | A | -0.6454 | Soluble |
| 56 | Y | A | -0.5512 | Soluble |
| 57 | A | A | 0.0000 | Buried |
| 65 | S | A | -1.1563 | Soluble |
| 66 | E | A | -1.7435 | Soluble |
| 67 | S | A | -1.0820 | Soluble |
| 68 | I | A | -0.4898 | Soluble |
| 69 | S | A | -0.3550 | Soluble |
| 70 | G | A | -0.4836 | Soluble |
| 71 | I | A | -0.3095 | Soluble |
| 72 | P | A | -0.3291 | Soluble |
| 74 | S | A | -0.5502 | Soluble |
| 75 | R | A | -1.0846 | Soluble |
| 76 | F | A | 0.0000 | Buried |
| 77 | S | A | -0.8387 | Soluble |
| 78 | G | A | -0.6938 | Soluble |
| 79 | S | A | -0.8881 | Soluble |
| 80 | G | A | -1.1736 | Soluble |
| 83 | S | A | -1.1860 | Soluble |
| 84 | G | A | -1.4126 | Soluble |
| 85 | T | A | -2.0083 | Soluble |
| 86 | D | A | -2.7550 | Soluble |
| 87 | F | A | 0.0000 | Buried |
| 88 | T | A | -0.8899 | Soluble |
| 89 | L | A | 0.0000 | Buried |
| 90 | S | A | -0.8283 | Soluble |
| 91 | I | A | 0.0000 | Buried |
| 92 | N | A | -2.2491 | Soluble |
| 93 | S | A | -2.3512 | Soluble |
| 94 | V | A | 0.0000 | Buried |
| 95 | E | A | -2.7035 | Soluble |
| 96 | S | A | -2.0499 | Soluble |
| 98 | D | A | -1.2410 | Soluble |
| 99 | I | A | -1.4114 | Soluble |
| 100 | A | A | 0.0000 | Buried |
| 101 | D | A | -0.8018 | Soluble |
| 102 | Y | A | 0.0000 | Buried |
| 103 | Y | A | -0.1687 | Soluble |
| 104 | C | A | 0.0000 | Buried |
| 105 | Q | A | 0.0000 | Buried |
| 106 | Q | A | 0.0000 | Buried |
| 107 | N | A | -0.5779 | Soluble |
| 108 | N | A | -1.2773 | Soluble |
| 114 | W | A | 0.4978 | Aggregation-prone |
| 115 | P | A | 0.0000 | Buried |
| 116 | T | A | 0.0000 | Buried |
| 117 | T | A | 0.1028 | Aggregation-prone |
| 118 | F | A | 0.2687 | Aggregation-prone |
| 119 | G | A | 0.0000 | Buried |
| 120 | A | A | 0.1856 | Aggregation-prone |
| 121 | G | A | 0.1808 | Aggregation-prone |
| 122 | T | A | 0.0000 | Buried |
| 123 | K | A | -0.4170 | Soluble |
| 124 | L | A | 0.0000 | Buried |
| 125 | E | A | -0.9276 | Soluble |
| 126 | L | A | 0.0000 | Buried |
| 127 | K | A | -1.7844 | Soluble |
| 128 | R | A | -1.2650 | Soluble |
| 129 | T | A | -0.1317 | Soluble |
| 130 | V | A | 0.4214 | Aggregation-prone |
| 131 | A | A | 0.1792 | Aggregation-prone |
| 132 | A | A | -0.0920 | Soluble |
| 133 | P | A | 0.0000 | Buried |
| 134 | S | A | -0.1634 | Soluble |
| 135 | V | A | 0.0000 | Buried |
| 136 | F | A | 0.1465 | Aggregation-prone |
| 137 | I | A | 0.1650 | Aggregation-prone |
| 138 | F | A | 0.0000 | Buried |
| 139 | P | A | -0.4716 | Soluble |
| 140 | P | A | 0.0000 | Buried |
| 141 | S | A | -1.8576 | Soluble |
| 142 | D | A | -3.1111 | Soluble |
| 143 | E | A | -2.9915 | Soluble |
| 144 | Q | A | 0.0000 | Buried |
| 145 | L | A | -2.2903 | Soluble |
| 146 | K | A | -2.7670 | Soluble |
| 147 | S | A | -1.6760 | Soluble |
| 148 | G | A | -1.2645 | Soluble |
| 149 | T | A | -0.9361 | 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 | -0.9079 | Soluble |
| 159 | F | A | 0.0000 | Buried |
| 160 | Y | A | -0.9564 | Soluble |
| 161 | P | A | -1.4747 | Soluble |
| 162 | R | A | -2.5343 | Soluble |
| 163 | E | A | -2.9839 | Soluble |
| 164 | A | A | -2.1389 | Soluble |
| 165 | K | A | -2.1299 | Soluble |
| 166 | V | A | -0.9702 | Soluble |
| 167 | Q | A | -0.5486 | Soluble |
| 168 | W | A | 0.0000 | Buried |
| 169 | K | A | -0.5454 | Soluble |
| 170 | V | A | 0.0000 | Buried |
| 171 | D | A | -1.9287 | Soluble |
| 172 | N | A | -1.4957 | Soluble |
| 173 | A | A | -0.2443 | Soluble |
| 174 | L | A | 0.7597 | Aggregation-prone |
| 175 | Q | A | -0.1917 | Soluble |
| 176 | S | A | -0.3964 | Soluble |
| 177 | G | A | -0.9282 | Soluble |
| 178 | N | A | -0.8764 | Soluble |
| 179 | S | A | -1.0442 | Soluble |
| 180 | Q | A | -1.2606 | Soluble |
| 181 | E | A | -1.4350 | Soluble |
| 182 | S | A | -0.6268 | Soluble |
| 183 | V | A | -0.3021 | Soluble |
| 184 | T | A | -0.8999 | Soluble |
| 185 | E | A | -2.1756 | Soluble |
| 186 | Q | A | 0.0000 | Buried |
| 187 | D | A | -1.8323 | Soluble |
| 188 | S | A | -2.1294 | Soluble |
| 189 | K | A | -2.5023 | Soluble |
| 190 | D | A | -1.8488 | 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 | -0.5799 | Soluble |
| 199 | L | A | 0.0000 | Buried |
| 200 | T | A | -0.4257 | Soluble |
| 201 | L | A | -0.6376 | Soluble |
| 202 | S | A | -1.0016 | Soluble |
| 203 | K | A | -1.9830 | Soluble |
| 204 | A | A | -1.8986 | Soluble |
| 205 | D | A | -2.5833 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | E | A | -3.7078 | Soluble |
| 208 | K | A | -3.7249 | Soluble |
| 209 | H | A | -3.1154 | Soluble |
| 210 | K | A | -3.1371 | Soluble |
| 211 | V | A | -1.3698 | Soluble |
| 212 | Y | A | 0.0000 | Buried |
| 213 | A | A | -0.7673 | Soluble |
| 214 | C | A | 0.0000 | Buried |
| 215 | E | A | -0.8989 | Soluble |
| 216 | V | A | 0.0000 | Buried |
| 217 | T | A | -1.1620 | Soluble |
| 218 | H | A | 0.0000 | Buried |
| 219 | Q | A | -1.5204 | Soluble |
| 220 | G | A | -0.4024 | Soluble |
| 221 | L | A | -0.2144 | Soluble |
| 222 | S | A | -0.4542 | Soluble |
| 223 | S | A | -0.4049 | Soluble |
| 224 | P | A | -0.5306 | Soluble |
| 225 | V | A | 0.0276 | Aggregation-prone |
| 226 | T | A | -0.4072 | Soluble |
| 227 | K | A | -0.6514 | Soluble |
| 228 | S | A | -0.5556 | Soluble |
| 229 | F | A | -0.6692 | Soluble |
| 230 | N | A | -1.6185 | Soluble |
| 231 | R | A | -2.2248 | Soluble |
| 232 | G | A | -1.3922 | Soluble |
| 233 | A | A | -0.7452 | 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 | -0.6933 | 3.2768 | CSV PDB |
| 4.5 | -0.7304 | 3.2038 | CSV PDB |
| 5.0 | -0.7743 | 3.1217 | CSV PDB |
| 5.5 | -0.817 | 3.0362 | CSV PDB |
| 6.0 | -0.8483 | 2.9496 | CSV PDB |
| 6.5 | -0.8596 | 2.8628 | CSV PDB |
| 7.0 | -0.8497 | 2.7764 | CSV PDB |
| 7.5 | -0.8254 | 2.6913 | CSV PDB |
| 8.0 | -0.7931 | 2.6104 | CSV PDB |
| 8.5 | -0.7551 | 2.5402 | CSV PDB |
| 9.0 | -0.7115 | 2.4903 | CSV PDB |