Calculation Parameters
| Chain Sequence(s) |
QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGA
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 | -1.3411 | Soluble |
| 2 | V | B | -0.6406 | Soluble |
| 3 | Q | B | -1.3752 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | K | B | -2.2874 | Soluble |
| 6 | Q | B | 0.0000 | Buried |
| 7 | S | B | -0.8970 | Soluble |
| 8 | G | B | -1.1666 | Soluble |
| 9 | P | B | -0.4871 | Soluble |
| 11 | G | B | -0.4321 | Soluble |
| 12 | L | B | 0.0147 | Aggregation-prone |
| 13 | V | B | 0.0000 | Buried |
| 14 | Q | B | -1.2257 | Soluble |
| 15 | P | B | -1.2565 | Soluble |
| 16 | S | B | -1.5434 | Soluble |
| 17 | Q | B | -1.9255 | Soluble |
| 18 | S | B | -1.7994 | Soluble |
| 19 | L | B | 0.0000 | Buried |
| 20 | S | B | -0.7883 | Soluble |
| 21 | I | B | 0.0000 | Buried |
| 22 | T | B | -0.5437 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | T | B | -1.1160 | Soluble |
| 25 | V | B | 0.0000 | Buried |
| 26 | S | B | -1.1487 | Soluble |
| 27 | G | B | -0.8883 | Soluble |
| 28 | F | B | -0.4700 | Soluble |
| 29 | S | B | -0.9066 | Soluble |
| 30 | L | B | 0.0000 | Buried |
| 35 | T | B | -0.9904 | Soluble |
| 36 | N | B | -0.8856 | Soluble |
| 37 | Y | B | 0.4584 | 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 | -0.4948 | Soluble |
| 45 | S | B | -1.0454 | Soluble |
| 46 | P | B | -1.1952 | Soluble |
| 47 | G | B | -1.7487 | Soluble |
| 48 | K | B | -2.2547 | Soluble |
| 49 | G | B | -1.1578 | 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 | -0.5366 | Soluble |
| 58 | S | B | -0.7247 | Soluble |
| 59 | G | B | -1.1289 | Soluble |
| 63 | G | B | -1.5533 | Soluble |
| 64 | N | B | -1.8399 | Soluble |
| 65 | T | B | -1.3016 | Soluble |
| 66 | D | B | -1.0050 | Soluble |
| 67 | Y | B | -0.3595 | Soluble |
| 68 | N | B | 0.0000 | Buried |
| 69 | T | B | -0.1861 | Soluble |
| 70 | P | B | -0.3628 | Soluble |
| 71 | F | B | 0.0000 | Buried |
| 72 | T | B | -0.4544 | Soluble |
| 74 | S | B | -0.6601 | Soluble |
| 75 | R | B | -1.2286 | Soluble |
| 76 | L | B | 0.0000 | Buried |
| 77 | S | B | -1.1640 | Soluble |
| 78 | I | B | 0.0000 | Buried |
| 79 | N | B | -1.7914 | Soluble |
| 80 | K | B | -1.5531 | Soluble |
| 81 | D | B | -1.9549 | Soluble |
| 82 | N | B | -2.5457 | Soluble |
| 83 | S | B | -1.8664 | Soluble |
| 84 | K | B | -2.4779 | Soluble |
| 85 | S | B | -1.7041 | Soluble |
| 86 | Q | B | -1.5430 | Soluble |
| 87 | V | B | 0.0000 | Buried |
| 88 | F | B | -0.2857 | Soluble |
| 89 | F | B | 0.0000 | Buried |
| 90 | K | B | -1.7482 | Soluble |
| 91 | M | B | 0.0000 | Buried |
| 92 | N | B | -2.2486 | Soluble |
| 93 | S | B | -1.6629 | Soluble |
| 94 | L | B | 0.0000 | Buried |
| 95 | Q | B | -2.1424 | Soluble |
| 96 | S | B | -1.5129 | Soluble |
| 97 | N | B | -2.0895 | Soluble |
| 98 | D | B | 0.0000 | Buried |
| 99 | T | B | -0.6341 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | I | B | 0.3917 | 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 | 1.0500 | Aggregation-prone |
| 109 | T | B | 1.1668 | Aggregation-prone |
| 110 | Y | B | 1.8696 | Aggregation-prone |
| 111 | Y | B | 1.9794 | Aggregation-prone |
| 112 | D | B | 0.0000 | Buried |
| 113 | Y | B | 0.6574 | Aggregation-prone |
| 114 | E | B | 0.0000 | Buried |
| 115 | F | B | 0.0000 | Buried |
| 116 | A | B | 0.2683 | Aggregation-prone |
| 117 | Y | B | 0.2621 | Aggregation-prone |
| 118 | W | B | -0.4138 | Soluble |
| 119 | G | B | 0.0000 | Buried |
| 120 | Q | B | -1.7436 | Soluble |
| 121 | G | B | -0.9026 | Soluble |
| 122 | T | B | 0.0000 | Buried |
| 123 | L | B | 0.2069 | Aggregation-prone |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | -0.2936 | Soluble |
| 126 | V | B | 0.0000 | Buried |
| 127 | S | B | -0.4531 | Soluble |
| 128 | A | B | -0.3651 | Soluble |
| 129 | A | B | -0.2442 | Soluble |
| 130 | S | B | -0.4559 | Soluble |
| 131 | T | B | -0.7232 | Soluble |
| 132 | K | B | -1.2017 | Soluble |
| 133 | G | B | -1.2925 | Soluble |
| 134 | P | B | 0.0000 | Buried |
| 135 | S | B | -0.4110 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | 0.0000 | Buried |
| 138 | P | B | -1.3377 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | -1.2007 | Soluble |
| 141 | P | B | 0.0000 | Buried |
| 142 | S | B | -0.7332 | Soluble |
| 143 | S | B | -0.6247 | Soluble |
| 144 | G | B | -0.8539 | Soluble |
| 145 | G | B | -0.9262 | Soluble |
| 146 | T | B | -0.6391 | Soluble |
| 147 | A | B | -0.3666 | Soluble |
| 148 | A | B | 0.0000 | Buried |
| 149 | L | B | 0.0000 | Buried |
| 150 | G | B | 0.0000 | Buried |
| 151 | C | B | 0.0000 | Buried |
| 152 | L | B | 0.0000 | Buried |
| 153 | V | B | 0.0000 | Buried |
| 154 | K | B | 0.0000 | Buried |
| 155 | D | B | -0.3542 | Soluble |
| 156 | Y | B | 0.0000 | Buried |
| 157 | F | B | 0.0000 | Buried |
| 158 | P | B | 0.0000 | Buried |
| 159 | E | B | -0.2333 | Soluble |
| 160 | P | B | -0.4989 | Soluble |
| 161 | V | B | -0.4935 | Soluble |
| 162 | T | B | -0.4947 | Soluble |
| 163 | V | B | -0.1742 | Soluble |
| 164 | S | B | -0.4049 | Soluble |
| 165 | W | B | 0.0000 | Buried |
| 166 | N | B | -0.9375 | Soluble |
| 167 | S | B | -0.7090 | Soluble |
| 168 | G | B | -0.5368 | Soluble |
| 169 | A | B | -0.2489 | Soluble |
| 170 | L | B | -0.0183 | Soluble |
| 171 | T | B | -0.1735 | Soluble |
| 172 | S | B | -0.1926 | Soluble |
| 173 | G | B | -0.2398 | Soluble |
| 174 | V | B | 0.1558 | Aggregation-prone |
| 175 | H | B | -0.3352 | Soluble |
| 176 | T | B | -0.0026 | Soluble |
| 177 | F | B | 0.0000 | Buried |
| 178 | P | B | -0.3378 | Soluble |
| 179 | A | B | 0.2627 | Aggregation-prone |
| 180 | V | B | 0.4315 | Aggregation-prone |
| 181 | L | B | 1.2463 | Aggregation-prone |
| 182 | Q | B | 0.2117 | Aggregation-prone |
| 183 | S | B | -0.0653 | Soluble |
| 184 | S | B | -0.2087 | Soluble |
| 185 | G | B | 0.0696 | Aggregation-prone |
| 186 | L | B | 0.2098 | Aggregation-prone |
| 187 | Y | B | 0.5521 | Aggregation-prone |
| 188 | S | B | 0.0000 | Buried |
| 189 | L | B | 0.0000 | Buried |
| 190 | S | B | 0.0000 | Buried |
| 191 | S | B | 0.0000 | Buried |
| 192 | V | B | 0.0000 | Buried |
| 193 | V | B | 0.0000 | Buried |
| 194 | T | B | -0.1284 | Soluble |
| 195 | V | B | 0.0000 | Buried |
| 196 | P | B | -0.5310 | Soluble |
| 197 | S | B | -0.5896 | Soluble |
| 198 | S | B | -0.6091 | Soluble |
| 200 | L | B | -0.7634 | Soluble |
| 201 | G | B | -0.9597 | Soluble |
| 202 | T | B | -0.8405 | Soluble |
| 203 | Q | B | -1.4704 | Soluble |
| 204 | T | B | -1.2721 | Soluble |
| 205 | Y | B | 0.0000 | Buried |
| 206 | I | B | -1.3866 | Soluble |
| 207 | C | B | 0.0000 | Buried |
| 208 | N | B | -1.5454 | Soluble |
| 209 | V | B | 0.0000 | Buried |
| 210 | N | B | -1.8313 | Soluble |
| 211 | H | B | 0.0000 | Buried |
| 212 | K | B | -2.5329 | Soluble |
| 213 | P | B | -1.4606 | Soluble |
| 214 | S | B | -1.7497 | Soluble |
| 215 | N | B | -2.4443 | Soluble |
| 216 | T | B | -1.9644 | Soluble |
| 217 | K | B | -2.6333 | Soluble |
| 218 | V | B | -1.6729 | Soluble |
| 219 | D | B | -2.5278 | Soluble |
| 220 | K | B | -2.1721 | Soluble |
| 221 | R | B | -2.6380 | Soluble |
| 222 | V | B | 0.0000 | Buried |
| 223 | E | B | -2.7952 | Soluble |
| 224 | P | B | -1.8616 | Soluble |
| 225 | K | B | -2.2650 | Soluble |
| 1 | D | A | -1.2278 | Soluble |
| 2 | I | A | -0.3023 | Soluble |
| 3 | L | A | 0.6782 | Aggregation-prone |
| 4 | L | A | 0.0000 | Buried |
| 5 | T | A | -0.3649 | Soluble |
| 6 | Q | A | -0.3021 | Soluble |
| 7 | S | A | 0.0069 | Aggregation-prone |
| 8 | P | A | 0.7720 | Aggregation-prone |
| 9 | V | A | 1.7464 | Aggregation-prone |
| 10 | I | A | 1.1422 | Aggregation-prone |
| 11 | L | A | 0.4361 | Aggregation-prone |
| 12 | S | A | -0.4634 | Soluble |
| 13 | V | A | -1.3987 | Soluble |
| 14 | S | A | -1.9567 | Soluble |
| 15 | P | A | -2.1191 | Soluble |
| 16 | G | A | -2.3001 | Soluble |
| 17 | E | A | -3.1004 | Soluble |
| 18 | R | A | -3.1085 | Soluble |
| 19 | V | A | 0.0000 | Buried |
| 20 | S | A | -0.7361 | Soluble |
| 21 | F | A | 0.0000 | Buried |
| 22 | S | A | -0.7743 | Soluble |
| 23 | C | A | 0.0000 | Buried |
| 24 | R | A | -2.4173 | Soluble |
| 25 | A | A | -1.2079 | Soluble |
| 26 | S | A | -0.9486 | Soluble |
| 27 | Q | A | -1.3674 | Soluble |
| 28 | S | A | -1.4461 | Soluble |
| 29 | I | A | 0.0000 | Buried |
| 36 | G | A | -0.9128 | Soluble |
| 37 | T | A | -0.7223 | Soluble |
| 38 | N | A | -0.7869 | 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 | -1.2950 | Soluble |
| 45 | R | A | -1.8927 | Soluble |
| 46 | T | A | -1.7167 | Soluble |
| 47 | N | A | -1.9733 | Soluble |
| 48 | G | A | -1.4848 | Soluble |
| 49 | S | A | -0.9403 | Soluble |
| 50 | P | A | 0.0000 | Buried |
| 51 | R | A | -0.6843 | Soluble |
| 52 | L | A | 0.0000 | Buried |
| 53 | L | A | 0.0000 | Buried |
| 54 | I | A | 0.0000 | Buried |
| 55 | K | A | -0.8356 | Soluble |
| 56 | Y | A | -0.6749 | Soluble |
| 57 | A | A | 0.0000 | Buried |
| 65 | S | A | -1.3373 | Soluble |
| 66 | E | A | -2.0627 | Soluble |
| 67 | S | A | -1.2357 | Soluble |
| 68 | I | A | -0.5600 | Soluble |
| 69 | S | A | -0.3265 | Soluble |
| 70 | G | A | -0.4757 | Soluble |
| 71 | I | A | -0.2478 | Soluble |
| 72 | P | A | -0.3141 | Soluble |
| 74 | S | A | -0.5206 | Soluble |
| 75 | R | A | -1.0400 | Soluble |
| 76 | F | A | 0.0000 | Buried |
| 77 | S | A | -0.9039 | Soluble |
| 78 | G | A | -0.7839 | Soluble |
| 79 | S | A | -0.8620 | Soluble |
| 80 | G | A | -1.0209 | Soluble |
| 83 | S | A | -1.0499 | Soluble |
| 84 | G | A | -1.2254 | Soluble |
| 85 | T | A | -1.7796 | Soluble |
| 86 | D | A | -2.2913 | Soluble |
| 87 | F | A | 0.0000 | Buried |
| 88 | T | A | -0.8421 | Soluble |
| 89 | L | A | 0.0000 | Buried |
| 90 | S | A | -0.8661 | Soluble |
| 91 | I | A | 0.0000 | Buried |
| 92 | N | A | -2.2742 | Soluble |
| 93 | S | A | -2.3530 | Soluble |
| 94 | V | A | 0.0000 | Buried |
| 95 | E | A | -2.6387 | Soluble |
| 96 | S | A | -2.4555 | Soluble |
| 97 | E | A | -2.2394 | Soluble |
| 98 | D | A | 0.0000 | Buried |
| 99 | I | A | -1.6194 | Soluble |
| 100 | A | A | 0.0000 | Buried |
| 101 | D | A | -0.9736 | 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 | -0.5522 | Soluble |
| 108 | N | A | -1.1346 | Soluble |
| 109 | N | A | -0.8790 | Soluble |
| 114 | W | A | 0.1522 | Aggregation-prone |
| 115 | P | A | 0.0000 | Buried |
| 116 | T | A | 0.0000 | Buried |
| 117 | T | A | 0.0259 | Aggregation-prone |
| 118 | F | A | 0.2214 | Aggregation-prone |
| 119 | G | A | 0.0000 | Buried |
| 120 | A | A | -0.0159 | Soluble |
| 121 | G | A | -0.0002 | Soluble |
| 122 | T | A | 0.0000 | Buried |
| 123 | K | A | -0.6364 | Soluble |
| 124 | L | A | 0.0000 | Buried |
| 125 | E | A | -1.2694 | Soluble |
| 126 | L | A | 0.0000 | Buried |
| 127 | K | A | -1.8073 | Soluble |
| 128 | R | A | -1.2730 | Soluble |
| 129 | T | A | -0.0682 | Soluble |
| 130 | V | A | 0.5306 | Aggregation-prone |
| 131 | A | A | 0.2520 | Aggregation-prone |
| 132 | A | A | -0.0257 | Soluble |
| 133 | P | A | 0.0000 | Buried |
| 134 | S | A | -0.1180 | Soluble |
| 135 | V | A | 0.0206 | Aggregation-prone |
| 136 | F | A | 0.1028 | Aggregation-prone |
| 137 | I | A | 0.0812 | Aggregation-prone |
| 138 | F | A | 0.0000 | Buried |
| 139 | P | A | -0.5397 | Soluble |
| 140 | P | A | 0.0000 | Buried |
| 141 | S | A | -1.9071 | Soluble |
| 142 | D | A | -3.0005 | Soluble |
| 143 | E | A | -3.0763 | Soluble |
| 144 | Q | A | 0.0000 | Buried |
| 145 | L | A | -2.2769 | Soluble |
| 146 | K | A | -2.8008 | Soluble |
| 147 | S | A | -1.6873 | Soluble |
| 148 | G | A | -1.3122 | Soluble |
| 149 | T | A | -0.9873 | 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 | -0.9768 | Soluble |
| 159 | F | A | 0.0000 | Buried |
| 160 | Y | A | -1.0598 | Soluble |
| 161 | P | A | -1.6785 | Soluble |
| 162 | R | A | -2.9215 | Soluble |
| 163 | E | A | -3.2119 | Soluble |
| 164 | A | A | -2.2622 | Soluble |
| 165 | K | A | -2.0984 | Soluble |
| 166 | V | A | -1.0161 | Soluble |
| 167 | Q | A | -0.6312 | Soluble |
| 168 | W | A | 0.0000 | Buried |
| 169 | K | A | -0.4840 | Soluble |
| 170 | V | A | 0.0000 | Buried |
| 171 | D | A | -1.8696 | Soluble |
| 172 | N | A | -1.4848 | Soluble |
| 173 | A | A | -0.2480 | Soluble |
| 174 | L | A | 0.7265 | Aggregation-prone |
| 175 | Q | A | -0.1213 | Soluble |
| 176 | S | A | -0.4120 | Soluble |
| 177 | G | A | -1.0401 | Soluble |
| 178 | N | A | -1.0323 | Soluble |
| 179 | S | A | -1.4772 | Soluble |
| 180 | Q | A | -2.1041 | Soluble |
| 181 | E | A | -2.3011 | Soluble |
| 182 | S | A | -1.2160 | Soluble |
| 183 | V | A | -0.9459 | Soluble |
| 184 | T | A | -1.2167 | Soluble |
| 185 | E | A | -2.4414 | Soluble |
| 186 | Q | A | 0.0000 | Buried |
| 187 | D | A | -2.0555 | Soluble |
| 188 | S | A | -2.3859 | Soluble |
| 189 | K | A | -2.7451 | Soluble |
| 190 | D | A | -2.0334 | 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 | -0.8536 | Soluble |
| 199 | L | A | 0.0000 | Buried |
| 200 | T | A | -0.5590 | Soluble |
| 201 | L | A | -0.7023 | Soluble |
| 202 | S | A | -1.0581 | Soluble |
| 203 | K | A | -2.0062 | Soluble |
| 204 | A | A | -1.9155 | Soluble |
| 205 | D | A | -2.6763 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | E | A | -3.4596 | Soluble |
| 208 | K | A | -3.6270 | Soluble |
| 209 | H | A | -3.0254 | Soluble |
| 210 | K | A | -3.0567 | Soluble |
| 211 | V | A | -1.3836 | Soluble |
| 212 | Y | A | 0.0000 | Buried |
| 213 | A | A | -0.8388 | Soluble |
| 214 | C | A | 0.0000 | Buried |
| 215 | E | A | -0.8547 | Soluble |
| 216 | V | A | 0.0000 | Buried |
| 217 | T | A | -1.1506 | Soluble |
| 218 | H | A | 0.0000 | Buried |
| 219 | Q | A | -1.6660 | Soluble |
| 220 | G | A | -0.3193 | Soluble |
| 221 | L | A | -0.1445 | Soluble |
| 222 | S | A | -0.4223 | Soluble |
| 223 | S | A | -0.3931 | Soluble |
| 224 | P | A | -0.5398 | Soluble |
| 225 | V | A | 0.0120 | Aggregation-prone |
| 226 | T | A | -0.4889 | Soluble |
| 227 | K | A | -0.8597 | Soluble |
| 228 | S | A | -0.7021 | Soluble |
| 229 | F | A | -0.7673 | Soluble |
| 230 | N | A | -1.6370 | Soluble |
| 231 | R | A | -2.1535 | Soluble |
| 232 | G | A | -1.3110 | Soluble |
| 233 | A | A | -0.7522 | 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 | -0.711 | 2.5959 | CSV PDB |
| 4.5 | -0.7485 | 2.5243 | CSV PDB |
| 5.0 | -0.7937 | 2.4421 | CSV PDB |
| 5.5 | -0.8379 | 2.3556 | CSV PDB |
| 6.0 | -0.8705 | 2.2678 | CSV PDB |
| 6.5 | -0.8823 | 2.1908 | CSV PDB |
| 7.0 | -0.8722 | 2.1908 | CSV PDB |
| 7.5 | -0.8468 | 2.1905 | CSV PDB |
| 8.0 | -0.8131 | 2.1898 | CSV PDB |
| 8.5 | -0.7737 | 2.1874 | CSV PDB |
| 9.0 | -0.729 | 2.1963 | CSV PDB |