Calculation Parameters
| Chain Sequence(s) |
QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYTMHWVRQAPGKGLEWVTFISYDGNNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARTGWLGPFDYWGQGTLVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPEIVLTQSPGTLSLSPGERATLSCRASQSVGSSYLAWYQQKPGQAPRLLIYGAFSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
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 |
|---|---|---|---|---|
| 1 | Q | h | -1.3989 | Soluble |
| 2 | V | h | -0.6687 | Soluble |
| 3 | Q | h | -0.9887 | Soluble |
| 4 | L | h | 0.0000 | Buried |
| 5 | V | h | 0.3956 | Aggregation-prone |
| 6 | E | h | 0.0000 | Buried |
| 7 | S | h | -0.4546 | Soluble |
| 8 | G | h | -0.8639 | Soluble |
| 9 | G | h | -0.2491 | Soluble |
| 11 | G | h | 0.1447 | Aggregation-prone |
| 12 | V | h | 0.6983 | Aggregation-prone |
| 13 | V | h | -0.4661 | Soluble |
| 14 | Q | h | -1.2630 | Soluble |
| 15 | P | h | -2.0510 | Soluble |
| 16 | G | h | -2.1267 | Soluble |
| 17 | R | h | -2.6094 | Soluble |
| 18 | S | h | -2.0556 | Soluble |
| 19 | L | h | -1.4461 | Soluble |
| 20 | R | h | -2.1833 | Soluble |
| 21 | L | h | 0.0000 | Buried |
| 22 | S | h | -0.5005 | Soluble |
| 23 | C | h | 0.0000 | Buried |
| 24 | A | h | -0.2582 | Soluble |
| 25 | A | h | 0.0000 | Buried |
| 26 | S | h | -0.8526 | Soluble |
| 27 | G | h | -0.9861 | Soluble |
| 28 | F | h | -0.3770 | Soluble |
| 29 | T | h | -0.1824 | Soluble |
| 30 | F | h | 0.0000 | Buried |
| 35 | S | h | -0.5121 | Soluble |
| 36 | S | h | 0.0572 | Aggregation-prone |
| 37 | Y | h | 0.0000 | Buried |
| 38 | T | h | 0.2613 | Aggregation-prone |
| 39 | M | h | 0.0000 | Buried |
| 40 | H | h | 0.0000 | Buried |
| 41 | W | h | 0.0000 | Buried |
| 42 | V | h | 0.0000 | Buried |
| 43 | R | h | 0.0000 | Buried |
| 44 | Q | h | -0.6456 | Soluble |
| 45 | A | h | -1.0282 | Soluble |
| 46 | P | h | -0.8706 | Soluble |
| 47 | G | h | -1.4822 | Soluble |
| 48 | K | h | -2.3809 | Soluble |
| 49 | G | h | -1.5703 | Soluble |
| 50 | L | h | 0.0000 | Buried |
| 51 | E | h | -1.0006 | Soluble |
| 52 | W | h | 0.0000 | Buried |
| 53 | V | h | 0.0000 | Buried |
| 54 | T | h | 0.0000 | Buried |
| 55 | F | h | 0.2337 | Aggregation-prone |
| 56 | I | h | 0.0000 | Buried |
| 57 | S | h | -0.6249 | Soluble |
| 58 | Y | h | -0.1785 | Soluble |
| 59 | D | h | -1.9260 | Soluble |
| 62 | G | h | -1.6801 | Soluble |
| 63 | N | h | -2.0195 | Soluble |
| 64 | N | h | -1.3652 | Soluble |
| 65 | K | h | -0.6774 | Soluble |
| 66 | Y | h | 0.0633 | Aggregation-prone |
| 67 | Y | h | -0.6187 | Soluble |
| 68 | A | h | -1.2487 | Soluble |
| 69 | D | h | -2.4030 | Soluble |
| 70 | S | h | -1.7894 | Soluble |
| 71 | V | h | 0.0000 | Buried |
| 72 | K | h | -2.5456 | Soluble |
| 74 | G | h | -1.7929 | Soluble |
| 75 | R | h | -1.3613 | Soluble |
| 76 | F | h | 0.0000 | Buried |
| 77 | T | h | -0.8151 | Soluble |
| 78 | I | h | 0.0000 | Buried |
| 79 | S | h | -0.7901 | Soluble |
| 80 | R | h | -0.9972 | Soluble |
| 81 | D | h | -1.6769 | Soluble |
| 82 | N | h | -1.6582 | Soluble |
| 83 | S | h | -1.5128 | Soluble |
| 84 | K | h | -2.3052 | Soluble |
| 85 | N | h | -1.6962 | Soluble |
| 86 | T | h | 0.0000 | Buried |
| 87 | L | h | 0.0000 | Buried |
| 88 | Y | h | -0.5020 | Soluble |
| 89 | L | h | 0.0000 | Buried |
| 90 | Q | h | -1.3927 | Soluble |
| 91 | M | h | 0.0000 | Buried |
| 92 | N | h | -1.9030 | Soluble |
| 93 | S | h | -1.8077 | Soluble |
| 94 | L | h | 0.0000 | Buried |
| 95 | R | h | -3.0349 | Soluble |
| 96 | A | h | -1.9018 | Soluble |
| 97 | E | h | -2.4616 | Soluble |
| 98 | D | h | 0.0000 | Buried |
| 99 | T | h | -0.6191 | Soluble |
| 100 | A | h | 0.0000 | Buried |
| 101 | I | h | 0.5144 | 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 | R | h | 0.0000 | Buried |
| 107 | T | h | 0.5667 | Aggregation-prone |
| 108 | G | h | 1.0612 | Aggregation-prone |
| 109 | W | h | 1.8306 | Aggregation-prone |
| 110 | L | h | 2.1475 | Aggregation-prone |
| 113 | G | h | 1.1187 | Aggregation-prone |
| 114 | P | h | 0.0000 | Buried |
| 115 | F | h | 0.0000 | Buried |
| 116 | D | h | 0.0110 | Aggregation-prone |
| 117 | Y | h | 0.0135 | Aggregation-prone |
| 118 | W | h | -0.2586 | Soluble |
| 119 | G | h | 0.0000 | Buried |
| 120 | Q | h | -1.3161 | Soluble |
| 121 | G | h | -0.3963 | Soluble |
| 122 | T | h | 0.2055 | Aggregation-prone |
| 123 | L | h | 0.9736 | Aggregation-prone |
| 124 | V | h | 0.0000 | Buried |
| 125 | T | h | -0.0647 | Soluble |
| 126 | V | h | 0.0000 | Buried |
| 127 | S | h | -0.7057 | Soluble |
| 128 | S | h | -0.5877 | Soluble |
| 129 | A | h | -0.3249 | Soluble |
| 130 | S | h | -0.4396 | Soluble |
| 131 | T | h | -0.7213 | Soluble |
| 132 | K | h | -1.1788 | Soluble |
| 133 | G | h | -1.3525 | Soluble |
| 134 | P | h | 0.0000 | Buried |
| 135 | S | h | -0.4234 | Soluble |
| 136 | V | h | 0.0000 | Buried |
| 137 | F | h | 0.0000 | Buried |
| 138 | P | h | -1.2196 | Soluble |
| 139 | L | h | 0.0000 | Buried |
| 140 | A | h | -0.8230 | Soluble |
| 141 | P | h | 0.0000 | Buried |
| 142 | S | h | -0.3902 | Soluble |
| 143 | T | h | -0.3096 | Soluble |
| 144 | A | h | 0.0000 | Buried |
| 145 | A | h | 0.0000 | Buried |
| 146 | L | h | 0.0000 | Buried |
| 147 | G | h | 0.0000 | Buried |
| 148 | C | h | 0.0000 | Buried |
| 149 | L | h | 0.0000 | Buried |
| 150 | V | h | 0.0000 | Buried |
| 151 | K | h | 0.0000 | Buried |
| 152 | D | h | -0.3431 | Soluble |
| 153 | Y | h | 0.0000 | Buried |
| 154 | F | h | 0.0000 | Buried |
| 155 | P | h | 0.0000 | Buried |
| 156 | E | h | -0.7484 | Soluble |
| 157 | P | h | -0.9579 | Soluble |
| 158 | V | h | -0.7706 | Soluble |
| 159 | T | h | -0.6231 | Soluble |
| 160 | V | h | -0.2950 | Soluble |
| 161 | S | h | -0.3129 | Soluble |
| 162 | W | h | 0.0000 | Buried |
| 163 | N | h | -0.7693 | Soluble |
| 164 | S | h | -0.5355 | Soluble |
| 165 | G | h | -0.3311 | Soluble |
| 166 | A | h | -0.1447 | Soluble |
| 167 | L | h | 0.0548 | Aggregation-prone |
| 168 | T | h | -0.1198 | Soluble |
| 169 | S | h | -0.1866 | Soluble |
| 170 | G | h | -0.2402 | Soluble |
| 171 | V | h | 0.1680 | Aggregation-prone |
| 172 | H | h | -0.2886 | Soluble |
| 173 | T | h | -0.1276 | Soluble |
| 174 | F | h | 0.0000 | Buried |
| 175 | P | h | -0.2532 | Soluble |
| 176 | A | h | 0.2548 | Aggregation-prone |
| 177 | V | h | 0.5332 | Aggregation-prone |
| 178 | L | h | 1.2788 | Aggregation-prone |
| 179 | Q | h | 0.2877 | Aggregation-prone |
| 180 | S | h | -0.0064 | Soluble |
| 181 | S | h | -0.1483 | Soluble |
| 182 | G | h | 0.1045 | Aggregation-prone |
| 183 | L | h | 0.1379 | Aggregation-prone |
| 184 | Y | h | 0.4241 | Aggregation-prone |
| 185 | S | h | 0.0000 | Buried |
| 186 | L | h | 0.0000 | Buried |
| 187 | S | h | 0.0000 | Buried |
| 188 | S | h | 0.0000 | Buried |
| 189 | V | h | 0.0000 | Buried |
| 190 | V | h | 0.0000 | Buried |
| 191 | T | h | -0.1766 | Soluble |
| 192 | V | h | 0.0000 | Buried |
| 193 | P | h | -0.5181 | Soluble |
| 194 | S | h | -0.4419 | Soluble |
| 195 | S | h | -0.5438 | Soluble |
| 196 | S | h | -0.6479 | Soluble |
| 197 | L | h | -0.8625 | Soluble |
| 198 | G | h | -1.1271 | Soluble |
| 199 | T | h | -0.8184 | Soluble |
| 200 | Q | h | -1.4928 | Soluble |
| 201 | T | h | -1.2613 | Soluble |
| 202 | Y | h | 0.0000 | Buried |
| 203 | I | h | -1.3022 | Soluble |
| 204 | C | h | 0.0000 | Buried |
| 205 | N | h | -1.3049 | Soluble |
| 206 | V | h | 0.0000 | Buried |
| 207 | N | h | -2.0599 | Soluble |
| 208 | H | h | 0.0000 | Buried |
| 209 | K | h | -2.8852 | Soluble |
| 210 | P | h | -1.6248 | Soluble |
| 211 | S | h | -1.8892 | Soluble |
| 212 | N | h | -2.6393 | Soluble |
| 213 | T | h | -2.1055 | Soluble |
| 214 | K | h | -2.6233 | Soluble |
| 215 | V | h | -1.3310 | Soluble |
| 216 | D | h | -2.1754 | Soluble |
| 217 | K | h | -1.8315 | Soluble |
| 218 | R | h | -2.6230 | Soluble |
| 219 | V | h | 0.0000 | Buried |
| 220 | E | h | -2.5523 | Soluble |
| 221 | P | h | -1.2120 | Soluble |
| 1 | E | l | -1.4663 | Soluble |
| 2 | I | l | -0.2312 | Soluble |
| 3 | V | l | 0.7792 | Aggregation-prone |
| 4 | L | l | 0.0000 | Buried |
| 5 | T | l | -0.7807 | Soluble |
| 6 | Q | l | 0.0000 | Buried |
| 7 | S | l | -0.8331 | Soluble |
| 8 | P | l | -0.4596 | Soluble |
| 9 | G | l | -0.7681 | Soluble |
| 10 | T | l | -0.2696 | Soluble |
| 11 | L | l | -0.0907 | Soluble |
| 12 | S | l | -0.3475 | Soluble |
| 13 | L | l | -0.8816 | Soluble |
| 14 | S | l | -1.4405 | Soluble |
| 15 | P | l | -1.8763 | Soluble |
| 16 | G | l | -2.1170 | Soluble |
| 17 | E | l | -2.7859 | Soluble |
| 18 | R | l | -3.1959 | Soluble |
| 19 | A | l | 0.0000 | Buried |
| 20 | T | l | -0.5580 | Soluble |
| 21 | L | l | 0.0000 | Buried |
| 22 | S | l | -1.0277 | Soluble |
| 23 | C | l | 0.0000 | Buried |
| 24 | R | l | -2.3779 | Soluble |
| 25 | A | l | 0.0000 | Buried |
| 26 | S | l | -1.0155 | Soluble |
| 27 | Q | l | -1.7365 | Soluble |
| 28 | S | l | -1.4289 | Soluble |
| 29 | V | l | 0.0000 | Buried |
| 30 | G | l | -0.4767 | Soluble |
| 36 | S | l | 0.1076 | Aggregation-prone |
| 37 | S | l | 0.5677 | Aggregation-prone |
| 38 | Y | l | 0.8292 | 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 | -1.6285 | Soluble |
| 46 | P | l | -1.3969 | Soluble |
| 47 | G | l | -1.4829 | Soluble |
| 48 | Q | l | -2.2354 | Soluble |
| 49 | A | l | -1.5584 | Soluble |
| 50 | P | l | 0.0000 | Buried |
| 51 | R | l | -1.9585 | Soluble |
| 52 | L | l | 0.0000 | Buried |
| 53 | L | l | 0.0000 | Buried |
| 54 | I | l | 0.0000 | Buried |
| 55 | Y | l | 0.7362 | Aggregation-prone |
| 56 | G | l | 0.7787 | Aggregation-prone |
| 57 | A | l | 0.0000 | Buried |
| 65 | F | l | 1.2341 | Aggregation-prone |
| 66 | S | l | 0.2094 | Aggregation-prone |
| 67 | R | l | -0.9267 | Soluble |
| 68 | A | l | -0.6275 | Soluble |
| 69 | T | l | -0.5332 | Soluble |
| 70 | G | l | -0.7692 | Soluble |
| 71 | I | l | -0.9846 | Soluble |
| 72 | P | l | -1.2382 | Soluble |
| 74 | D | l | -2.3530 | Soluble |
| 75 | R | l | -1.9890 | Soluble |
| 76 | F | l | 0.0000 | Buried |
| 77 | S | l | -0.4695 | Soluble |
| 78 | G | l | 0.2379 | Aggregation-prone |
| 79 | S | l | -0.1141 | Soluble |
| 80 | G | l | -0.8463 | Soluble |
| 83 | S | l | -1.0211 | Soluble |
| 84 | G | l | -1.4090 | Soluble |
| 85 | T | l | -2.0326 | Soluble |
| 86 | D | l | -2.7815 | Soluble |
| 87 | F | l | 0.0000 | Buried |
| 88 | T | l | -0.6636 | Soluble |
| 89 | L | l | 0.0000 | Buried |
| 90 | T | l | -0.8235 | Soluble |
| 91 | I | l | 0.0000 | Buried |
| 92 | S | l | -2.3867 | Soluble |
| 93 | R | l | -3.4659 | Soluble |
| 94 | L | l | 0.0000 | Buried |
| 95 | E | l | -2.4888 | Soluble |
| 96 | P | l | -1.7566 | Soluble |
| 97 | E | l | -2.2748 | Soluble |
| 98 | D | l | 0.0000 | Buried |
| 99 | F | l | -0.6031 | Soluble |
| 100 | A | l | 0.0000 | Buried |
| 101 | V | l | -0.0338 | 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 | Y | l | 0.0000 | Buried |
| 108 | G | l | 0.0118 | Aggregation-prone |
| 109 | S | l | -0.4923 | Soluble |
| 114 | S | l | -0.4318 | Soluble |
| 115 | P | l | -0.4819 | Soluble |
| 116 | W | l | -0.0975 | Soluble |
| 117 | T | l | -0.0489 | Soluble |
| 118 | F | l | 0.1029 | Aggregation-prone |
| 119 | G | l | 0.0000 | Buried |
| 120 | Q | l | -1.4814 | Soluble |
| 121 | G | l | -0.9838 | Soluble |
| 122 | T | l | 0.0000 | Buried |
| 123 | K | l | -0.3667 | Soluble |
| 124 | V | l | 0.0000 | Buried |
| 125 | E | l | 0.0000 | Buried |
| 126 | I | l | -0.6087 | Soluble |
| 127 | K | l | -1.1857 | Soluble |
| 128 | R | l | -0.9077 | Soluble |
| 129 | T | l | -0.0951 | Soluble |
| 130 | V | l | 0.4386 | Aggregation-prone |
| 131 | A | l | 0.0866 | Aggregation-prone |
| 132 | A | l | -0.1706 | Soluble |
| 133 | P | l | 0.0000 | Buried |
| 134 | S | l | -0.2810 | Soluble |
| 135 | V | l | 0.0000 | Buried |
| 136 | F | l | 0.0740 | Aggregation-prone |
| 137 | I | l | 0.1069 | Aggregation-prone |
| 138 | F | l | 0.0000 | Buried |
| 139 | P | l | -0.7112 | Soluble |
| 140 | P | l | -0.9824 | Soluble |
| 141 | S | l | -1.7165 | Soluble |
| 142 | D | l | -3.0293 | Soluble |
| 143 | E | l | -3.0996 | Soluble |
| 144 | Q | l | 0.0000 | Buried |
| 145 | L | l | -2.3775 | Soluble |
| 146 | K | l | -2.8599 | Soluble |
| 147 | S | l | -1.7541 | Soluble |
| 148 | G | l | -1.2429 | Soluble |
| 149 | T | l | -0.9523 | 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 | -0.3984 | Soluble |
| 158 | N | l | -0.8144 | Soluble |
| 159 | F | l | 0.0000 | Buried |
| 160 | Y | l | 0.0000 | Buried |
| 161 | P | l | -1.2111 | Soluble |
| 162 | R | l | -1.9711 | Soluble |
| 163 | E | l | -2.6768 | Soluble |
| 164 | A | l | -2.0569 | Soluble |
| 165 | K | l | -2.3742 | Soluble |
| 166 | V | l | -1.1716 | Soluble |
| 167 | Q | l | -0.8202 | Soluble |
| 168 | W | l | 0.0000 | Buried |
| 169 | K | l | -0.7168 | Soluble |
| 170 | V | l | 0.0000 | Buried |
| 171 | D | l | -2.0527 | Soluble |
| 172 | N | l | -1.6510 | Soluble |
| 173 | A | l | -0.4144 | Soluble |
| 174 | L | l | 0.3564 | Aggregation-prone |
| 175 | Q | l | -0.4609 | Soluble |
| 176 | S | l | -0.7502 | Soluble |
| 177 | G | l | -1.3528 | Soluble |
| 178 | N | l | -1.6760 | Soluble |
| 179 | S | l | -1.6642 | Soluble |
| 180 | Q | l | -1.9049 | Soluble |
| 181 | E | l | -1.7758 | Soluble |
| 182 | S | l | -0.7430 | Soluble |
| 183 | V | l | -0.2890 | Soluble |
| 184 | T | l | -0.9077 | Soluble |
| 185 | E | l | -2.0382 | Soluble |
| 186 | Q | l | -1.6219 | Soluble |
| 187 | D | l | -1.8187 | Soluble |
| 188 | S | l | -1.7078 | Soluble |
| 189 | K | l | -2.2776 | Soluble |
| 190 | D | l | -1.8097 | Soluble |
| 191 | S | l | -1.6930 | 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 | -0.8534 | Soluble |
| 199 | L | l | 0.0000 | Buried |
| 200 | T | l | -0.7015 | Soluble |
| 201 | L | l | -0.9678 | Soluble |
| 202 | S | l | -1.2924 | Soluble |
| 203 | K | l | -2.2901 | Soluble |
| 204 | A | l | -2.1233 | Soluble |
| 205 | D | l | -3.1019 | Soluble |
| 206 | Y | l | 0.0000 | Buried |
| 207 | E | l | -3.9895 | Soluble |
| 208 | K | l | -3.7825 | Soluble |
| 209 | H | l | -3.4423 | Soluble |
| 210 | K | l | -3.5828 | Soluble |
| 211 | V | l | -1.8724 | Soluble |
| 212 | Y | l | 0.0000 | Buried |
| 213 | A | l | 0.0000 | Buried |
| 214 | C | l | 0.0000 | Buried |
| 215 | E | l | -0.7372 | Soluble |
| 216 | V | l | 0.0000 | Buried |
| 217 | T | l | -1.1639 | Soluble |
| 218 | H | l | 0.0000 | Buried |
| 219 | Q | l | -1.4756 | Soluble |
| 220 | G | l | -0.5038 | Soluble |
| 221 | L | l | -0.2489 | Soluble |
| 222 | S | l | -0.4632 | Soluble |
| 223 | S | l | -0.4079 | Soluble |
| 224 | P | l | -0.4844 | Soluble |
| 225 | V | l | -0.0731 | Soluble |
| 226 | T | l | -0.5005 | Soluble |
| 227 | K | l | -0.6830 | Soluble |
| 228 | S | l | -0.5295 | Soluble |
| 229 | F | l | -1.1498 | Soluble |
| 230 | N | l | -2.6279 | Soluble |
| 231 | R | l | -3.1460 | 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 | -0.6883 | 4.2962 | CSV PDB |
| 4.5 | -0.734 | 4.2859 | CSV PDB |
| 5.0 | -0.7874 | 4.2755 | CSV PDB |
| 5.5 | -0.8393 | 4.265 | CSV PDB |
| 6.0 | -0.8794 | 4.2546 | CSV PDB |
| 6.5 | -0.8995 | 4.2443 | CSV PDB |
| 7.0 | -0.8993 | 4.2344 | CSV PDB |
| 7.5 | -0.8852 | 4.2258 | CSV PDB |
| 8.0 | -0.8632 | 4.2195 | CSV PDB |
| 8.5 | -0.8348 | 4.216 | CSV PDB |
| 9.0 | -0.7995 | 4.2146 | CSV PDB |