Calculation Parameters
| Chain Sequence(s) |
VQLQQWGAGLLKPSETLSLTCAVYGFSDYYWNWIRQPPGKGLEWIGEINHNGNTNSNPSLKSRVTLSLDTSKNQFSLKLRSVTAADTAVYYCAFGYSDYEYNWFDPWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSEIVLTQSPATLSLSPGERATLSCRASQSISSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPLTFGQGTNLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
input.pdb
|
| Selected Chain(s) | H (Heavy), L (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 | H | 1.1969 | Aggregation-prone |
| 3 | Q | H | -0.3036 | Soluble |
| 4 | L | H | -0.4670 | Soluble |
| 5 | Q | H | -1.1528 | Soluble |
| 6 | Q | H | -0.6003 | Soluble |
| 7 | W | H | 0.0130 | Aggregation-prone |
| 8 | G | H | 0.1619 | Aggregation-prone |
| 9 | A | H | 0.2937 | Aggregation-prone |
| 11 | G | H | 0.5171 | Aggregation-prone |
| 12 | L | H | 0.5045 | Aggregation-prone |
| 13 | L | H | 0.0000 | Buried |
| 14 | K | H | -1.5513 | Soluble |
| 15 | P | H | -1.3097 | Soluble |
| 16 | S | H | -1.3756 | Soluble |
| 17 | E | H | -1.7981 | Soluble |
| 18 | T | H | -1.4322 | Soluble |
| 19 | L | H | 0.0000 | Buried |
| 20 | S | H | -0.6732 | Soluble |
| 21 | L | H | 0.0000 | Buried |
| 22 | T | H | -0.2731 | Soluble |
| 23 | C | H | 0.0000 | Buried |
| 24 | A | H | 0.0000 | Buried |
| 25 | V | H | -0.1612 | Soluble |
| 26 | Y | H | 0.3256 | Aggregation-prone |
| 27 | G | H | 0.6365 | Aggregation-prone |
| 28 | F | H | 1.7564 | Aggregation-prone |
| 29 | S | H | 0.4613 | Aggregation-prone |
| 36 | D | H | -0.2832 | Soluble |
| 37 | Y | H | 0.1782 | Aggregation-prone |
| 38 | Y | H | -0.1533 | Soluble |
| 39 | W | H | 0.0000 | Buried |
| 40 | N | H | 0.0000 | Buried |
| 41 | W | H | 0.0000 | Buried |
| 42 | I | H | 0.0000 | Buried |
| 43 | R | H | 0.0000 | Buried |
| 44 | Q | H | -0.7566 | Soluble |
| 45 | P | H | -0.8579 | Soluble |
| 46 | P | H | -0.9693 | Soluble |
| 47 | G | H | -1.5264 | Soluble |
| 48 | K | H | -2.3762 | Soluble |
| 49 | G | H | -1.5730 | Soluble |
| 50 | L | H | 0.0000 | Buried |
| 51 | E | H | -0.9225 | Soluble |
| 52 | W | H | 0.0000 | Buried |
| 53 | I | H | 0.0000 | Buried |
| 54 | G | H | 0.0000 | Buried |
| 55 | E | H | 0.0000 | Buried |
| 56 | I | H | 0.0000 | Buried |
| 57 | N | H | 0.0000 | Buried |
| 58 | H | H | -1.1528 | Soluble |
| 59 | N | H | -1.9535 | Soluble |
| 63 | G | H | -1.5554 | Soluble |
| 64 | N | H | -1.4993 | Soluble |
| 65 | T | H | -0.9343 | Soluble |
| 66 | N | H | -0.6420 | Soluble |
| 67 | S | H | -0.6184 | Soluble |
| 68 | N | H | 0.0000 | Buried |
| 69 | P | H | -1.3049 | Soluble |
| 70 | S | H | -1.0501 | Soluble |
| 71 | L | H | 0.0000 | Buried |
| 72 | K | H | -2.0215 | Soluble |
| 74 | S | H | -1.3436 | Soluble |
| 75 | R | H | -1.3735 | Soluble |
| 76 | V | H | -0.8970 | Soluble |
| 77 | T | H | -0.5144 | Soluble |
| 78 | L | H | -0.1456 | Soluble |
| 79 | S | H | -0.3323 | Soluble |
| 80 | L | H | -0.6378 | Soluble |
| 81 | D | H | -1.3856 | Soluble |
| 82 | T | H | -1.2436 | Soluble |
| 83 | S | H | -1.4700 | Soluble |
| 84 | K | H | -2.2588 | Soluble |
| 85 | N | H | -1.6476 | Soluble |
| 86 | Q | H | -1.3733 | Soluble |
| 87 | F | H | 0.0000 | Buried |
| 88 | S | H | -0.4175 | Soluble |
| 89 | L | H | 0.0000 | Buried |
| 90 | K | H | -1.1869 | Soluble |
| 91 | L | H | 0.0000 | Buried |
| 92 | R | H | -1.6019 | Soluble |
| 93 | S | H | -1.3769 | Soluble |
| 94 | V | H | 0.0000 | Buried |
| 95 | T | H | -0.6570 | Soluble |
| 96 | A | H | -0.2042 | Soluble |
| 97 | A | H | 0.0400 | Aggregation-prone |
| 98 | D | H | 0.0000 | Buried |
| 99 | T | H | 0.1703 | Aggregation-prone |
| 100 | A | H | 0.0000 | Buried |
| 101 | V | H | 0.2387 | Aggregation-prone |
| 102 | Y | H | 0.0000 | Buried |
| 103 | Y | H | 0.0000 | Buried |
| 104 | C | H | 0.0000 | Buried |
| 105 | A | H | 0.0000 | Buried |
| 106 | F | H | 0.0000 | Buried |
| 107 | G | H | 0.0000 | Buried |
| 108 | Y | H | 0.0000 | Buried |
| 109 | S | H | 0.4643 | Aggregation-prone |
| 110 | D | H | 0.3767 | Aggregation-prone |
| 111 | Y | H | 0.8045 | Aggregation-prone |
| 112A | E | H | -0.7982 | Soluble |
| 112 | Y | H | 0.5390 | Aggregation-prone |
| 113 | N | H | -0.3173 | Soluble |
| 114 | W | H | -0.0682 | Soluble |
| 115 | F | H | 0.4668 | Aggregation-prone |
| 116 | D | H | 0.0000 | Buried |
| 117 | P | H | -0.3338 | Soluble |
| 118 | W | H | -0.8707 | Soluble |
| 119 | G | H | 0.0000 | Buried |
| 120 | Q | H | -1.5251 | Soluble |
| 121 | G | H | -0.7035 | Soluble |
| 122 | T | H | 0.0640 | Aggregation-prone |
| 123 | L | H | 0.4131 | Aggregation-prone |
| 124 | V | H | 0.0000 | Buried |
| 125 | T | H | 0.0000 | Buried |
| 126 | V | H | 0.0000 | Buried |
| 127 | S | H | -0.4712 | Soluble |
| 128 | S | H | -0.7438 | Soluble |
| 129 | A | H | -0.5753 | Soluble |
| 130 | S | H | -0.5782 | Soluble |
| 131 | T | H | -0.6938 | Soluble |
| 132 | K | H | -1.2083 | Soluble |
| 133 | G | H | -1.4075 | Soluble |
| 134 | P | H | -0.6398 | Soluble |
| 135 | S | H | -0.2243 | Soluble |
| 136 | V | H | 0.0000 | Buried |
| 137 | F | H | -0.7464 | Soluble |
| 138 | P | H | -1.3095 | Soluble |
| 139 | L | H | 0.0000 | Buried |
| 140 | A | H | -1.2186 | Soluble |
| 141 | P | H | 0.0000 | Buried |
| 142 | S | H | -0.9058 | Soluble |
| 143 | S | H | -0.5810 | Soluble |
| 144 | G | H | -0.6644 | Soluble |
| 145 | T | H | -0.4966 | Soluble |
| 146 | A | H | 0.0000 | Buried |
| 147 | A | H | 0.0000 | Buried |
| 148 | L | H | 0.0000 | Buried |
| 149 | G | H | 0.0000 | Buried |
| 150 | C | H | 0.0000 | Buried |
| 151 | L | H | 0.0000 | Buried |
| 152 | V | H | 0.0000 | Buried |
| 153 | K | H | 0.0000 | Buried |
| 154 | D | H | -0.4573 | Soluble |
| 155 | Y | H | 0.0000 | Buried |
| 156 | F | H | 0.0000 | Buried |
| 157 | P | H | 0.0000 | Buried |
| 158 | E | H | -0.4496 | Soluble |
| 159 | P | H | -0.7782 | Soluble |
| 160 | V | H | -0.7779 | Soluble |
| 161 | T | H | -0.6478 | Soluble |
| 162 | V | H | -0.1839 | Soluble |
| 163 | S | H | -0.3732 | Soluble |
| 164 | W | H | 0.0000 | Buried |
| 165 | N | H | -0.7243 | Soluble |
| 166 | S | H | -0.6229 | Soluble |
| 167 | G | H | -0.5002 | Soluble |
| 168 | A | H | -0.2297 | Soluble |
| 169 | L | H | 0.0313 | Aggregation-prone |
| 170 | T | H | -0.1459 | Soluble |
| 171 | S | H | -0.1631 | Soluble |
| 172 | G | H | -0.2182 | Soluble |
| 173 | V | H | 0.2297 | Aggregation-prone |
| 174 | H | H | 0.0000 | Buried |
| 175 | T | H | -0.1346 | Soluble |
| 176 | F | H | 0.0000 | Buried |
| 177 | P | H | -0.5413 | Soluble |
| 178 | A | H | -0.0871 | Soluble |
| 179 | V | H | 0.1520 | Aggregation-prone |
| 180 | L | H | 0.7670 | Aggregation-prone |
| 181 | Q | H | -0.0251 | Soluble |
| 182 | S | H | -0.2502 | Soluble |
| 183 | S | H | -0.2500 | Soluble |
| 184 | G | H | -0.0694 | Soluble |
| 185 | L | H | -0.0527 | Soluble |
| 186 | Y | H | 0.0000 | Buried |
| 187 | S | H | 0.0000 | Buried |
| 188 | L | H | 0.0000 | Buried |
| 189 | S | H | 0.0000 | Buried |
| 190 | S | H | 0.0000 | Buried |
| 191 | V | H | 0.0000 | Buried |
| 192 | V | H | 0.0000 | Buried |
| 193 | T | H | -0.1203 | Soluble |
| 194 | V | H | 0.0000 | Buried |
| 195 | P | H | -0.6012 | Soluble |
| 196 | S | H | -0.6009 | Soluble |
| 197 | S | H | -0.6545 | Soluble |
| 198 | S | H | -0.6953 | Soluble |
| 199 | L | H | -0.9309 | Soluble |
| 200 | G | H | -1.0298 | Soluble |
| 201 | T | H | -0.8153 | Soluble |
| 202 | Q | H | -1.3590 | Soluble |
| 203 | T | H | -1.1616 | Soluble |
| 204 | Y | H | 0.0000 | Buried |
| 205 | I | H | -1.2903 | Soluble |
| 206 | C | H | 0.0000 | Buried |
| 207 | N | H | -1.5514 | Soluble |
| 208 | V | H | 0.0000 | Buried |
| 209 | N | H | -2.1992 | Soluble |
| 210 | H | H | 0.0000 | Buried |
| 211 | K | H | -2.7885 | Soluble |
| 212 | P | H | -1.5267 | Soluble |
| 213 | S | H | -1.8531 | Soluble |
| 214 | N | H | -2.6374 | Soluble |
| 215 | T | H | -2.1593 | Soluble |
| 216 | K | H | -2.8654 | Soluble |
| 217 | V | H | -1.7831 | Soluble |
| 218 | D | H | -2.5284 | Soluble |
| 219 | K | H | -2.2941 | Soluble |
| 220 | R | H | -2.6628 | Soluble |
| 221 | V | H | 0.0000 | Buried |
| 222 | E | H | -2.9522 | Soluble |
| 223 | P | H | -2.0378 | Soluble |
| 224 | K | H | -2.7837 | Soluble |
| 225 | S | H | -1.6082 | Soluble |
| 1 | E | L | -1.7554 | Soluble |
| 2 | I | L | 0.0000 | Buried |
| 3 | V | L | 0.3098 | Aggregation-prone |
| 4 | L | L | 0.0000 | Buried |
| 5 | T | L | -0.8199 | Soluble |
| 6 | Q | L | 0.0000 | Buried |
| 7 | S | L | -0.7046 | Soluble |
| 8 | P | L | -0.2877 | Soluble |
| 9 | A | L | -0.4145 | Soluble |
| 10 | T | L | -0.2727 | Soluble |
| 11 | L | L | -0.1426 | Soluble |
| 12 | S | L | -0.5148 | Soluble |
| 13 | L | L | -1.0019 | Soluble |
| 14 | S | L | -1.3937 | Soluble |
| 15 | P | L | -1.7314 | Soluble |
| 16 | G | L | -1.8416 | Soluble |
| 17 | E | L | -2.4928 | Soluble |
| 18 | R | L | -2.6470 | Soluble |
| 19 | A | L | 0.0000 | Buried |
| 20 | T | L | -0.6618 | Soluble |
| 21 | L | L | 0.0000 | Buried |
| 22 | S | L | -0.9358 | Soluble |
| 23 | C | L | 0.0000 | Buried |
| 24 | R | L | -2.5395 | Soluble |
| 25 | A | L | 0.0000 | Buried |
| 26 | S | L | -1.2434 | Soluble |
| 27 | Q | L | -1.8755 | Soluble |
| 28 | S | L | -1.3221 | Soluble |
| 29 | I | L | 0.0000 | Buried |
| 36 | S | L | -0.6209 | Soluble |
| 37 | S | L | -0.3943 | Soluble |
| 38 | Y | L | 0.2689 | Aggregation-prone |
| 39 | L | L | 0.0000 | Buried |
| 40 | A | L | 0.0000 | Buried |
| 41 | W | L | 0.0000 | Buried |
| 42 | Y | L | 0.0000 | Buried |
| 43 | Q | L | 0.0000 | Buried |
| 44 | Q | L | 0.0000 | Buried |
| 45 | K | L | -1.6415 | Soluble |
| 46 | P | L | -1.4212 | Soluble |
| 47 | G | L | -1.4324 | Soluble |
| 48 | Q | L | -2.1566 | Soluble |
| 49 | A | L | -1.5721 | Soluble |
| 50 | P | L | 0.0000 | Buried |
| 51 | R | L | -2.0368 | Soluble |
| 52 | L | L | 0.0000 | Buried |
| 53 | L | L | 0.0000 | Buried |
| 54 | I | L | 0.0000 | Buried |
| 55 | Y | L | -0.6451 | Soluble |
| 56 | D | L | -1.0207 | Soluble |
| 57 | A | L | 0.0000 | Buried |
| 65 | S | L | -1.0814 | Soluble |
| 66 | N | L | -1.5434 | Soluble |
| 67 | R | L | -1.5571 | Soluble |
| 68 | A | L | -0.9128 | Soluble |
| 69 | T | L | -0.5885 | Soluble |
| 70 | G | L | -0.5944 | Soluble |
| 71 | I | L | -0.4989 | Soluble |
| 72 | P | L | -0.3891 | Soluble |
| 74 | A | L | -0.3695 | Soluble |
| 75 | R | L | -0.6767 | Soluble |
| 76 | F | L | 0.0000 | Buried |
| 77 | S | L | -0.6897 | Soluble |
| 78 | G | L | 0.0000 | Buried |
| 79 | S | L | -0.8994 | Soluble |
| 80 | G | L | -1.1713 | Soluble |
| 83 | S | L | -0.8909 | Soluble |
| 84 | G | L | -1.2295 | Soluble |
| 85 | T | L | -2.0775 | Soluble |
| 86 | D | L | -2.8514 | Soluble |
| 87 | F | L | 0.0000 | Buried |
| 88 | T | L | -0.8791 | Soluble |
| 89 | L | L | 0.0000 | Buried |
| 90 | T | L | -0.6148 | Soluble |
| 91 | I | L | 0.0000 | Buried |
| 92 | S | L | -1.3901 | Soluble |
| 93 | S | L | -1.7494 | Soluble |
| 94 | L | L | 0.0000 | Buried |
| 95 | E | L | -1.9488 | Soluble |
| 96 | P | L | -1.5813 | Soluble |
| 97 | E | L | -2.2432 | Soluble |
| 98 | D | L | 0.0000 | Buried |
| 99 | F | L | -0.6121 | Soluble |
| 100 | A | L | 0.0000 | Buried |
| 101 | V | L | -0.2903 | Soluble |
| 102 | Y | L | 0.0000 | Buried |
| 103 | Y | L | 0.0000 | Buried |
| 104 | C | L | 0.0000 | Buried |
| 105 | Q | L | 0.0000 | Buried |
| 106 | Q | L | 0.0000 | Buried |
| 107 | R | L | -0.3502 | Soluble |
| 108 | S | L | -0.6567 | Soluble |
| 109 | N | L | -1.3805 | Soluble |
| 114 | W | L | -0.8654 | Soluble |
| 115 | P | L | -0.8908 | Soluble |
| 116 | L | L | 0.0000 | Buried |
| 117 | T | L | -0.3261 | Soluble |
| 118 | F | L | -0.0271 | Soluble |
| 119 | G | L | 0.0000 | Buried |
| 120 | Q | L | -1.4389 | Soluble |
| 121 | G | L | -1.0052 | Soluble |
| 122 | T | L | 0.0000 | Buried |
| 123 | N | L | -0.7638 | Soluble |
| 124 | L | L | 0.0000 | Buried |
| 125 | E | L | 0.0000 | Buried |
| 126 | I | L | -0.7022 | Soluble |
| 127 | K | L | -1.4585 | Soluble |
| 128 | R | L | -1.0604 | Soluble |
| 129 | T | L | -0.1384 | Soluble |
| 130 | V | L | 0.3049 | Aggregation-prone |
| 131 | A | L | 0.1060 | Aggregation-prone |
| 132 | A | L | -0.0723 | Soluble |
| 133 | P | L | 0.0000 | Buried |
| 134 | S | L | -0.0012 | Soluble |
| 135 | V | L | 0.1573 | Aggregation-prone |
| 136 | F | L | 0.3118 | Aggregation-prone |
| 137 | I | L | 0.1923 | Aggregation-prone |
| 138 | F | L | 0.0000 | Buried |
| 139 | P | L | -0.5504 | Soluble |
| 140 | P | L | 0.0000 | Buried |
| 141 | S | L | 0.0000 | Buried |
| 142 | D | L | -3.0350 | Soluble |
| 143 | E | L | -3.1164 | Soluble |
| 144 | Q | L | 0.0000 | Buried |
| 145 | L | L | -2.1552 | Soluble |
| 146 | K | L | -2.8617 | Soluble |
| 147 | S | L | -1.7908 | Soluble |
| 148 | G | L | -1.4062 | Soluble |
| 149 | T | L | -1.0844 | Soluble |
| 150 | A | L | 0.0000 | Buried |
| 151 | S | L | 0.0000 | Buried |
| 152 | V | L | 0.0000 | Buried |
| 153 | V | L | 0.0000 | Buried |
| 154 | C | L | 0.0000 | Buried |
| 155 | L | L | 0.0000 | Buried |
| 156 | L | L | 0.0000 | Buried |
| 157 | N | L | 0.0000 | Buried |
| 158 | N | L | -0.6729 | Soluble |
| 159 | F | L | 0.0000 | Buried |
| 160 | Y | L | 0.0000 | Buried |
| 161 | P | L | -1.6316 | Soluble |
| 162 | R | L | -2.7664 | Soluble |
| 163 | E | L | -3.0648 | Soluble |
| 164 | A | L | -2.2035 | Soluble |
| 165 | K | L | -2.1833 | Soluble |
| 166 | V | L | -1.1415 | Soluble |
| 167 | Q | L | -0.7140 | Soluble |
| 168 | W | L | 0.0000 | Buried |
| 169 | K | L | -0.8052 | Soluble |
| 170 | V | L | 0.0000 | Buried |
| 171 | D | L | -2.1529 | Soluble |
| 172 | N | L | -1.6733 | Soluble |
| 173 | A | L | -0.4591 | Soluble |
| 174 | L | L | 0.3462 | Aggregation-prone |
| 175 | Q | L | -0.4779 | Soluble |
| 176 | S | L | -0.8386 | Soluble |
| 177 | G | L | -1.2986 | Soluble |
| 178 | N | L | -1.6659 | Soluble |
| 179 | S | L | -1.5810 | Soluble |
| 180 | Q | L | -1.6200 | Soluble |
| 181 | E | L | -2.0028 | Soluble |
| 182 | S | L | -0.9236 | Soluble |
| 183 | V | L | -0.8946 | Soluble |
| 184 | T | L | -1.1676 | Soluble |
| 185 | E | L | -2.3051 | Soluble |
| 186 | Q | L | -1.7972 | Soluble |
| 187 | D | L | -1.8307 | Soluble |
| 188 | S | L | -1.6690 | Soluble |
| 189 | K | L | -2.1817 | Soluble |
| 190 | D | L | -1.5719 | Soluble |
| 191 | S | L | -1.6156 | Soluble |
| 192 | T | L | 0.0000 | Buried |
| 193 | Y | L | 0.0000 | Buried |
| 194 | S | L | 0.0000 | Buried |
| 195 | L | L | 0.0000 | Buried |
| 196 | S | L | 0.0000 | Buried |
| 197 | S | L | 0.0000 | Buried |
| 198 | T | L | -0.7521 | Soluble |
| 199 | L | L | 0.0000 | Buried |
| 200 | T | L | -0.7149 | Soluble |
| 201 | L | L | -0.9671 | Soluble |
| 202 | S | L | -1.1712 | Soluble |
| 203 | K | L | -2.0872 | Soluble |
| 204 | A | L | -1.9371 | Soluble |
| 205 | D | L | -2.8596 | Soluble |
| 206 | Y | L | 0.0000 | Buried |
| 207 | E | L | -3.5251 | Soluble |
| 208 | K | L | -3.7138 | Soluble |
| 209 | H | L | -3.2692 | Soluble |
| 210 | K | L | -3.3758 | Soluble |
| 211 | V | L | -1.8657 | Soluble |
| 212 | Y | L | 0.0000 | Buried |
| 213 | A | L | -1.0494 | Soluble |
| 214 | C | L | 0.0000 | Buried |
| 215 | E | L | -0.8102 | Soluble |
| 216 | V | L | 0.0000 | Buried |
| 217 | T | L | -1.1473 | Soluble |
| 218 | H | L | 0.0000 | Buried |
| 219 | Q | L | -1.5288 | Soluble |
| 220 | G | L | -0.4123 | Soluble |
| 221 | L | L | -0.2375 | Soluble |
| 222 | S | L | -0.4445 | Soluble |
| 223 | S | L | -0.4337 | Soluble |
| 224 | P | L | -0.5575 | Soluble |
| 225 | V | L | -0.1091 | Soluble |
| 226 | T | L | -0.5454 | Soluble |
| 227 | K | L | -0.7612 | Soluble |
| 228 | S | L | -0.7984 | Soluble |
| 229 | F | L | 0.0000 | Buried |
| 230 | N | L | -2.5308 | Soluble |
| 231 | R | L | -2.8093 | Soluble |
| 232 | G | L | -2.3201 | Soluble |
| 233 | E | L | -2.6530 | 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 | -0.6871 | 3.7373 | CSV PDB |
| 4.5 | -0.7298 | 3.6891 | CSV PDB |
| 5.0 | -0.7799 | 3.6398 | CSV PDB |
| 5.5 | -0.8275 | 3.592 | CSV PDB |
| 6.0 | -0.8611 | 3.5482 | CSV PDB |
| 6.5 | -0.8715 | 3.5079 | CSV PDB |
| 7.0 | -0.8582 | 3.4679 | CSV PDB |
| 7.5 | -0.8294 | 3.4268 | CSV PDB |
| 8.0 | -0.7922 | 3.3895 | CSV PDB |
| 8.5 | -0.7491 | 3.3622 | CSV PDB |
| 9.0 | -0.7004 | 3.3465 | CSV PDB |