Calculation Parameters
| Chain Sequence(s) |
VQLLESGGGLVQPGGSLRLSCAAASGFTFSSYDMSWVRQAPGKGLDWVSTISGGGTYTYYQDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCASMDYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITCRASQSIRRYLNWYHQKPGKAPKLLIYGASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDFAVYYCQQSHSAPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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 | 1.6967 | Aggregation-prone |
| 3 | Q | B | 0.5418 | Aggregation-prone |
| 4 | L | B | 0.0000 | Buried |
| 5 | L | B | 1.2072 | Aggregation-prone |
| 6 | E | B | 0.0778 | Aggregation-prone |
| 7 | S | B | -0.4772 | Soluble |
| 8 | G | B | -0.9781 | Soluble |
| 9 | G | B | -0.5063 | Soluble |
| 11 | G | B | 0.2417 | Aggregation-prone |
| 12 | L | B | 0.6693 | Aggregation-prone |
| 13 | V | B | -0.2521 | Soluble |
| 14 | Q | B | -1.4474 | Soluble |
| 15 | P | B | -1.7480 | Soluble |
| 16 | G | B | -1.3956 | Soluble |
| 17 | G | B | -0.9777 | Soluble |
| 18 | S | B | -1.2432 | Soluble |
| 19 | L | B | -0.9665 | Soluble |
| 20 | R | B | -2.0520 | Soluble |
| 21 | L | B | 0.0000 | Buried |
| 22 | S | B | -0.4172 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | A | B | -0.0936 | Soluble |
| 25 | A | B | -0.1211 | Soluble |
| 26 | A | B | 0.0970 | Aggregation-prone |
| 27 | S | B | -0.7529 | Soluble |
| 28 | G | B | -0.6573 | Soluble |
| 29 | F | B | 0.0000 | Buried |
| 30 | T | B | -0.4068 | Soluble |
| 31 | F | B | 0.0000 | Buried |
| 35 | S | B | -1.1888 | Soluble |
| 36 | S | B | -0.7481 | Soluble |
| 37 | Y | B | -0.8367 | Soluble |
| 38 | D | B | -1.6141 | Soluble |
| 39 | M | B | 0.0000 | Buried |
| 40 | S | B | -0.1750 | Soluble |
| 41 | W | B | 0.0000 | Buried |
| 42 | V | B | 0.0000 | Buried |
| 43 | R | B | 0.0000 | Buried |
| 44 | Q | B | -0.7627 | Soluble |
| 45 | A | B | -1.1591 | Soluble |
| 46 | P | B | -0.8114 | Soluble |
| 47 | G | B | -1.4967 | Soluble |
| 48 | K | B | -2.2711 | Soluble |
| 49 | G | B | -1.3654 | Soluble |
| 50 | L | B | 0.0000 | Buried |
| 51 | D | B | -0.8735 | Soluble |
| 52 | W | B | 0.0000 | Buried |
| 53 | V | B | 0.0000 | Buried |
| 54 | S | B | 0.0000 | Buried |
| 55 | T | B | -0.0263 | Soluble |
| 56 | I | B | 0.0000 | Buried |
| 57 | S | B | -0.5743 | Soluble |
| 58 | G | B | -1.0409 | Soluble |
| 59 | G | B | -0.9058 | Soluble |
| 62 | G | B | -0.5843 | Soluble |
| 63 | T | B | 0.3056 | Aggregation-prone |
| 64 | Y | B | 1.0415 | Aggregation-prone |
| 65 | T | B | 0.6582 | Aggregation-prone |
| 66 | Y | B | 0.4980 | Aggregation-prone |
| 67 | Y | B | -0.7467 | Soluble |
| 68 | Q | B | -1.4591 | Soluble |
| 69 | D | B | -2.5610 | Soluble |
| 70 | S | B | -1.7018 | Soluble |
| 71 | V | B | 0.0000 | Buried |
| 72 | K | B | -2.6354 | Soluble |
| 74 | G | B | -1.8337 | Soluble |
| 75 | R | B | -1.5968 | Soluble |
| 76 | F | B | 0.0000 | Buried |
| 77 | T | B | -0.7501 | Soluble |
| 78 | I | B | 0.0000 | Buried |
| 79 | S | B | -0.2281 | Soluble |
| 80 | R | B | -1.0405 | Soluble |
| 81 | D | B | -1.6791 | Soluble |
| 82 | N | B | -1.7815 | Soluble |
| 83 | S | B | -1.5874 | Soluble |
| 84 | K | B | -2.3522 | Soluble |
| 85 | N | B | -1.6381 | Soluble |
| 86 | T | B | -0.9325 | Soluble |
| 87 | L | B | 0.0000 | Buried |
| 88 | Y | B | -0.3937 | Soluble |
| 89 | L | B | 0.0000 | Buried |
| 90 | Q | B | -1.1475 | Soluble |
| 91 | M | B | 0.0000 | Buried |
| 92 | N | B | -1.4497 | Soluble |
| 93 | S | B | -1.2655 | Soluble |
| 94 | L | B | 0.0000 | Buried |
| 95 | R | B | -2.3869 | Soluble |
| 96 | A | B | -1.7885 | Soluble |
| 97 | E | B | -2.2427 | Soluble |
| 98 | D | B | 0.0000 | Buried |
| 99 | T | B | -0.6963 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | V | B | 0.1520 | 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 | S | B | 0.0000 | Buried |
| 107 | M | B | 0.0894 | Aggregation-prone |
| 116 | D | B | -0.3734 | Soluble |
| 117 | Y | B | -0.1203 | Soluble |
| 118 | W | B | 0.0000 | Buried |
| 119 | G | B | 0.0000 | Buried |
| 120 | Q | B | -1.1541 | Soluble |
| 121 | G | B | 0.0000 | Buried |
| 122 | T | B | -0.1864 | Soluble |
| 123 | T | B | -0.0337 | Soluble |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | -0.3514 | Soluble |
| 126 | V | B | 0.0000 | Buried |
| 127 | S | B | -0.8785 | Soluble |
| 128 | S | B | -0.7344 | Soluble |
| 129 | A | B | -0.4146 | Soluble |
| 130 | S | B | -0.5204 | Soluble |
| 131 | T | B | -0.5755 | Soluble |
| 132 | K | B | -1.1535 | Soluble |
| 133 | G | B | -1.4353 | Soluble |
| 134 | P | B | -0.6710 | Soluble |
| 135 | S | B | -0.2747 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | -0.6893 | Soluble |
| 138 | P | B | -1.0398 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | -1.0713 | Soluble |
| 141 | P | B | 0.0000 | Buried |
| 142 | S | B | -1.3564 | Soluble |
| 143 | S | B | -1.1774 | Soluble |
| 144 | K | B | -1.8356 | Soluble |
| 145 | S | B | -1.2872 | Soluble |
| 146 | T | B | -0.8656 | Soluble |
| 147 | S | B | -0.9782 | Soluble |
| 148 | G | B | -0.9052 | Soluble |
| 149 | G | B | -0.9192 | Soluble |
| 150 | T | B | -0.6473 | Soluble |
| 151 | A | B | 0.0000 | Buried |
| 152 | A | B | 0.0000 | Buried |
| 153 | L | B | 0.0000 | Buried |
| 154 | G | B | 0.0000 | Buried |
| 155 | C | B | 0.0000 | Buried |
| 156 | L | B | 0.0000 | Buried |
| 157 | V | B | 0.0000 | Buried |
| 158 | K | B | -0.2714 | Soluble |
| 159 | D | B | -0.4622 | Soluble |
| 160 | Y | B | 0.0000 | Buried |
| 161 | F | B | 0.0000 | Buried |
| 162 | P | B | 0.0000 | Buried |
| 163 | E | B | -1.1343 | Soluble |
| 164 | P | B | -1.2226 | Soluble |
| 165 | V | B | -1.0020 | Soluble |
| 166 | T | B | -0.7632 | Soluble |
| 167 | V | B | -0.4416 | Soluble |
| 168 | S | B | -0.4260 | Soluble |
| 169 | W | B | 0.0000 | Buried |
| 170 | N | B | -0.7520 | Soluble |
| 171 | S | B | -0.6534 | Soluble |
| 172 | G | B | -0.5301 | Soluble |
| 173 | A | B | -0.2636 | Soluble |
| 174 | L | B | 0.0144 | Aggregation-prone |
| 175 | T | B | -0.1620 | Soluble |
| 176 | S | B | -0.3331 | Soluble |
| 177 | G | B | -0.3798 | Soluble |
| 178 | V | B | 0.1949 | Aggregation-prone |
| 179 | H | B | 0.0000 | Buried |
| 180 | T | B | 0.1147 | Aggregation-prone |
| 181 | F | B | 0.0000 | Buried |
| 182 | P | B | -0.5171 | Soluble |
| 183 | A | B | 0.3055 | Aggregation-prone |
| 184 | V | B | 0.6303 | Aggregation-prone |
| 185 | L | B | 1.3150 | Aggregation-prone |
| 186 | Q | B | 0.4063 | Aggregation-prone |
| 187 | S | B | 0.0051 | Aggregation-prone |
| 188 | S | B | -0.1595 | Soluble |
| 189 | G | B | 0.0929 | Aggregation-prone |
| 190 | L | B | 0.0228 | Aggregation-prone |
| 191 | Y | B | 0.0000 | Buried |
| 192 | S | B | 0.0000 | Buried |
| 193 | L | B | 0.2948 | Aggregation-prone |
| 194 | S | B | 0.0000 | Buried |
| 195 | S | B | 0.0000 | Buried |
| 196 | V | B | 0.0000 | Buried |
| 197 | V | B | 0.0000 | Buried |
| 198 | T | B | -0.0985 | Soluble |
| 199 | V | B | 0.0000 | Buried |
| 200 | P | B | -0.4504 | Soluble |
| 201 | S | B | -0.4131 | Soluble |
| 202 | S | B | -0.2700 | Soluble |
| 203 | S | B | 0.0136 | Aggregation-prone |
| 204 | L | B | 0.1417 | Aggregation-prone |
| 205 | T | B | -0.4073 | Soluble |
| 206 | Y | B | -0.5039 | Soluble |
| 207 | I | B | -1.1762 | Soluble |
| 208 | C | B | 0.0000 | Buried |
| 209 | N | B | 0.0000 | Buried |
| 210 | V | B | 0.0000 | Buried |
| 211 | N | B | -2.2541 | Soluble |
| 212 | H | B | 0.0000 | Buried |
| 213 | K | B | -2.9117 | Soluble |
| 214 | P | B | -1.7589 | Soluble |
| 215 | S | B | -1.8646 | Soluble |
| 216 | N | B | -2.6247 | Soluble |
| 217 | T | B | -2.1359 | Soluble |
| 218 | K | B | -2.7309 | Soluble |
| 219 | V | B | -1.6007 | Soluble |
| 220 | D | B | -2.5266 | Soluble |
| 221 | K | B | -1.9678 | Soluble |
| 222 | K | B | -2.5011 | Soluble |
| 223 | V | B | 0.0000 | Buried |
| 224 | E | B | -2.5946 | Soluble |
| 225 | P | B | -1.7844 | Soluble |
| 226 | K | B | -2.2085 | Soluble |
| 227 | S | B | -1.1490 | Soluble |
| 228 | C | B | -0.2804 | Soluble |
| 1 | D | A | -2.1840 | Soluble |
| 2 | I | A | -1.8852 | Soluble |
| 3 | Q | A | -2.1604 | Soluble |
| 4 | M | A | 0.0000 | Buried |
| 5 | T | A | -1.3840 | Soluble |
| 6 | Q | A | -0.9056 | Soluble |
| 7 | S | A | -0.7942 | Soluble |
| 8 | P | A | -0.4693 | Soluble |
| 9 | S | A | -0.5776 | Soluble |
| 10 | S | A | -0.4273 | Soluble |
| 11 | L | A | -0.2597 | Soluble |
| 12 | S | A | -0.6971 | Soluble |
| 13 | A | A | 0.0000 | Buried |
| 14 | S | A | -0.2024 | Soluble |
| 15 | V | A | 0.7040 | Aggregation-prone |
| 16 | G | A | -0.2832 | Soluble |
| 17 | D | A | -1.2845 | Soluble |
| 18 | R | A | -2.1329 | Soluble |
| 19 | V | A | 0.0000 | Buried |
| 20 | T | A | -0.6188 | Soluble |
| 21 | I | A | 0.0000 | Buried |
| 22 | T | A | -0.9823 | Soluble |
| 23 | C | A | 0.0000 | Buried |
| 24 | R | A | -2.9927 | Soluble |
| 25 | A | A | 0.0000 | Buried |
| 26 | S | A | -2.0510 | Soluble |
| 27 | Q | A | -2.3421 | Soluble |
| 28 | S | A | -2.1442 | Soluble |
| 29 | I | A | 0.0000 | Buried |
| 36 | R | A | -3.1652 | Soluble |
| 37 | R | A | -2.7061 | Soluble |
| 38 | Y | A | -0.9542 | Soluble |
| 39 | L | A | 0.0000 | Buried |
| 40 | N | A | 0.0000 | Buried |
| 41 | W | A | 0.0000 | Buried |
| 42 | Y | A | 0.0000 | Buried |
| 43 | H | A | -0.9699 | Soluble |
| 44 | Q | A | 0.0000 | Buried |
| 45 | K | A | -1.7331 | Soluble |
| 46 | P | A | -1.3883 | Soluble |
| 47 | G | A | -1.6259 | Soluble |
| 48 | K | A | -2.6755 | Soluble |
| 49 | A | A | -1.7897 | Soluble |
| 50 | P | A | 0.0000 | Buried |
| 51 | K | A | -1.9659 | Soluble |
| 52 | L | A | 0.0000 | Buried |
| 53 | L | A | 0.0000 | Buried |
| 54 | I | A | 0.0000 | Buried |
| 55 | Y | A | 0.3714 | Aggregation-prone |
| 56 | G | A | -0.5933 | Soluble |
| 57 | A | A | 0.0000 | Buried |
| 65 | S | A | -0.4327 | Soluble |
| 66 | T | A | 0.1398 | Aggregation-prone |
| 67 | L | A | 0.2728 | Aggregation-prone |
| 68 | Q | A | -0.3550 | Soluble |
| 69 | S | A | -0.4913 | Soluble |
| 70 | G | A | -0.5809 | Soluble |
| 71 | V | A | 0.0000 | Buried |
| 72 | P | A | -0.4319 | Soluble |
| 74 | S | A | -0.4994 | Soluble |
| 75 | R | A | -0.8066 | Soluble |
| 76 | F | A | 0.0000 | Buried |
| 77 | S | A | -0.3898 | Soluble |
| 78 | G | A | -0.2825 | Soluble |
| 79 | S | A | -1.0092 | Soluble |
| 80 | G | A | -1.8644 | Soluble |
| 83 | S | A | -2.1168 | Soluble |
| 84 | G | A | -2.4329 | Soluble |
| 85 | T | A | -2.6086 | Soluble |
| 86 | D | A | -3.0056 | Soluble |
| 87 | F | A | 0.0000 | Buried |
| 88 | T | A | -0.9283 | Soluble |
| 89 | L | A | 0.0000 | Buried |
| 90 | T | A | -0.6485 | Soluble |
| 91 | I | A | 0.0000 | Buried |
| 92 | S | A | -1.3232 | Soluble |
| 93 | S | A | -0.9308 | Soluble |
| 94 | L | A | 0.0000 | Buried |
| 95 | Q | A | -0.7679 | Soluble |
| 96 | P | A | -0.8441 | Soluble |
| 97 | E | A | -1.9564 | Soluble |
| 98 | D | A | 0.0000 | Buried |
| 99 | F | A | 0.0000 | Buried |
| 100 | A | A | 0.0000 | Buried |
| 101 | V | A | -0.2566 | 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 | S | A | -0.3298 | Soluble |
| 108 | H | A | -1.0646 | Soluble |
| 109 | S | A | -0.4318 | Soluble |
| 114 | A | A | -0.2125 | Soluble |
| 115 | P | A | -0.5653 | Soluble |
| 116 | L | A | -0.1921 | Soluble |
| 117 | T | A | -0.5549 | Soluble |
| 118 | F | A | -0.2040 | Soluble |
| 119 | G | A | 0.0000 | Buried |
| 120 | G | A | -1.0511 | Soluble |
| 121 | G | A | -0.7231 | Soluble |
| 122 | T | A | 0.0000 | Buried |
| 123 | K | A | -0.6385 | Soluble |
| 124 | V | A | 0.0000 | Buried |
| 125 | E | A | 0.0000 | Buried |
| 126 | I | A | -0.2078 | Soluble |
| 127 | K | A | -1.1454 | Soluble |
| 128 | R | A | -1.0316 | Soluble |
| 129 | T | A | 0.0326 | Aggregation-prone |
| 130 | V | A | 0.7817 | Aggregation-prone |
| 131 | A | A | 0.1842 | Aggregation-prone |
| 132 | A | A | 0.0285 | Aggregation-prone |
| 133 | P | A | 0.0000 | Buried |
| 134 | S | A | -0.1766 | Soluble |
| 135 | V | A | 0.0000 | Buried |
| 136 | F | A | -0.0320 | Soluble |
| 137 | I | A | 0.0000 | Buried |
| 138 | F | A | 0.0000 | Buried |
| 139 | P | A | -0.4457 | Soluble |
| 140 | P | A | -0.8183 | Soluble |
| 141 | S | A | -1.5832 | Soluble |
| 142 | D | A | -2.9285 | Soluble |
| 143 | E | A | -2.9559 | Soluble |
| 144 | Q | A | 0.0000 | Buried |
| 145 | L | A | -2.2772 | Soluble |
| 146 | K | A | -2.8470 | Soluble |
| 147 | S | A | -1.7950 | Soluble |
| 148 | G | A | -1.4320 | Soluble |
| 149 | T | A | -1.0630 | 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 | -0.8616 | Soluble |
| 159 | F | A | 0.0000 | Buried |
| 160 | Y | A | 0.0000 | Buried |
| 161 | P | A | -1.6133 | Soluble |
| 162 | R | A | -2.9566 | Soluble |
| 163 | E | A | -3.2238 | Soluble |
| 164 | A | A | -2.3042 | Soluble |
| 165 | K | A | -2.4119 | Soluble |
| 166 | V | A | -1.0767 | Soluble |
| 167 | Q | A | -0.7670 | Soluble |
| 168 | W | A | 0.0000 | Buried |
| 169 | K | A | -0.9471 | Soluble |
| 170 | V | A | 0.0000 | Buried |
| 171 | D | A | -1.8510 | Soluble |
| 172 | N | A | -1.6576 | Soluble |
| 173 | A | A | -0.5545 | Soluble |
| 174 | L | A | 0.1735 | Aggregation-prone |
| 175 | Q | A | -0.5973 | Soluble |
| 176 | S | A | -0.8178 | Soluble |
| 177 | G | A | -1.3351 | Soluble |
| 178 | N | A | -1.7191 | Soluble |
| 179 | S | A | -1.4912 | Soluble |
| 180 | Q | A | -1.3569 | Soluble |
| 181 | E | A | -1.5827 | Soluble |
| 182 | S | A | -0.5797 | Soluble |
| 183 | V | A | -0.5667 | Soluble |
| 184 | T | A | -0.8821 | Soluble |
| 185 | E | A | -2.1597 | Soluble |
| 186 | Q | A | -1.7892 | Soluble |
| 187 | D | A | -1.8873 | Soluble |
| 188 | S | A | -1.7292 | Soluble |
| 189 | K | A | -2.3340 | Soluble |
| 190 | D | A | -1.8243 | Soluble |
| 191 | S | A | -1.6954 | Soluble |
| 192 | T | A | 0.0000 | Buried |
| 193 | Y | A | 0.0000 | Buried |
| 194 | S | A | 0.0000 | Buried |
| 195 | L | A | -0.4319 | Soluble |
| 196 | S | A | 0.0000 | Buried |
| 197 | S | A | 0.0000 | Buried |
| 198 | T | A | -0.7210 | Soluble |
| 199 | L | A | 0.0000 | Buried |
| 200 | T | A | -0.6828 | Soluble |
| 201 | L | A | -0.8359 | Soluble |
| 202 | S | A | -1.0672 | Soluble |
| 203 | K | A | -2.1328 | Soluble |
| 204 | A | A | -1.7241 | Soluble |
| 205 | D | A | -2.3125 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | E | A | -2.8140 | Soluble |
| 208 | K | A | -3.0497 | Soluble |
| 209 | H | A | -2.3986 | Soluble |
| 210 | K | A | -2.1603 | Soluble |
| 211 | V | A | -0.9339 | Soluble |
| 212 | Y | A | 0.0000 | Buried |
| 213 | A | A | -0.8126 | Soluble |
| 214 | C | A | 0.0000 | Buried |
| 215 | E | A | -1.0032 | Soluble |
| 216 | V | A | 0.0000 | Buried |
| 217 | T | A | -1.2124 | Soluble |
| 218 | H | A | 0.0000 | Buried |
| 219 | Q | A | -1.7675 | Soluble |
| 220 | G | A | -0.3661 | Soluble |
| 221 | L | A | -0.2128 | Soluble |
| 222 | S | A | -0.4619 | Soluble |
| 223 | S | A | -0.4383 | Soluble |
| 224 | P | A | -0.5659 | Soluble |
| 225 | V | A | -0.0827 | Soluble |
| 226 | T | A | -0.5551 | Soluble |
| 227 | K | A | -0.7607 | Soluble |
| 228 | S | A | -0.5267 | Soluble |
| 229 | F | A | -0.7860 | Soluble |
| 230 | N | A | -1.3235 | Soluble |
| 231 | R | A | -1.7632 | Soluble |
| 232 | G | A | -1.7179 | Soluble |
| 233 | E | A | -1.9225 | Soluble |
| 234 | C | A | -0.8207 | 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 | -0.8047 | 2.2512 | CSV PDB |
| 4.5 | -0.8491 | 2.2011 | CSV PDB |
| 5.0 | -0.8994 | 2.1244 | CSV PDB |
| 5.5 | -0.9458 | 2.0334 | CSV PDB |
| 6.0 | -0.9772 | 1.9835 | CSV PDB |
| 6.5 | -0.9849 | 1.9522 | CSV PDB |
| 7.0 | -0.9694 | 1.9342 | CSV PDB |
| 7.5 | -0.9384 | 1.9287 | CSV PDB |
| 8.0 | -0.8984 | 1.9303 | CSV PDB |
| 8.5 | -0.851 | 1.9347 | CSV PDB |
| 9.0 | -0.7965 | 2.0594 | CSV PDB |