Calculation Parameters
| Chain Sequence(s) |
QVQLKQSGPGLVQPSQSLSITCTVSGFDLTDYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYADESIDGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
input.pdb
|
| Selected Chain(s) | D (Heavy), C (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 | D | -1.4409 | Soluble |
| 2 | V | D | -1.0350 | Soluble |
| 3 | Q | D | -1.4642 | Soluble |
| 4 | L | D | 0.0000 | Buried |
| 5 | K | D | -1.8750 | Soluble |
| 6 | Q | D | 0.0000 | Buried |
| 7 | S | D | -0.7769 | Soluble |
| 8 | G | D | -1.0791 | Soluble |
| 9 | P | D | -0.4758 | Soluble |
| 11 | G | D | -0.3552 | Soluble |
| 12 | L | D | 0.0434 | Aggregation-prone |
| 13 | V | D | -0.6552 | Soluble |
| 14 | Q | D | -1.2231 | Soluble |
| 15 | P | D | -1.4878 | Soluble |
| 16 | S | D | -1.5469 | Soluble |
| 17 | Q | D | -2.0231 | Soluble |
| 18 | S | D | -1.8401 | Soluble |
| 19 | L | D | 0.0000 | Buried |
| 20 | S | D | -0.8573 | Soluble |
| 21 | I | D | 0.0000 | Buried |
| 22 | T | D | -0.6023 | Soluble |
| 23 | C | D | 0.0000 | Buried |
| 24 | T | D | -1.0714 | Soluble |
| 25 | V | D | 0.0000 | Buried |
| 26 | S | D | -1.4272 | Soluble |
| 27 | G | D | -1.3031 | Soluble |
| 28 | F | D | -1.4622 | Soluble |
| 29 | D | D | -2.6545 | Soluble |
| 30 | L | D | 0.0000 | Buried |
| 35 | T | D | -1.7098 | Soluble |
| 36 | D | D | -1.8994 | Soluble |
| 37 | Y | D | -0.2128 | Soluble |
| 38 | G | D | 0.0000 | Buried |
| 39 | V | D | 0.0000 | Buried |
| 40 | H | D | 0.0000 | Buried |
| 41 | W | D | 0.0000 | Buried |
| 42 | V | D | 0.0000 | Buried |
| 43 | R | D | -0.4107 | Soluble |
| 44 | Q | D | 0.0000 | Buried |
| 45 | S | D | -1.0861 | Soluble |
| 46 | P | D | -1.0930 | Soluble |
| 47 | G | D | -1.4435 | Soluble |
| 48 | K | D | -2.1566 | Soluble |
| 49 | G | D | -1.1587 | Soluble |
| 50 | L | D | 0.0000 | Buried |
| 51 | E | D | -0.8735 | Soluble |
| 52 | W | D | 0.0000 | Buried |
| 53 | L | D | 0.0000 | Buried |
| 54 | G | D | 0.0000 | Buried |
| 55 | V | D | 0.0000 | Buried |
| 56 | I | D | 0.0000 | Buried |
| 57 | W | D | -0.6102 | Soluble |
| 58 | S | D | -0.9984 | Soluble |
| 59 | G | D | -1.3108 | Soluble |
| 63 | G | D | -1.5664 | Soluble |
| 64 | N | D | -1.8600 | Soluble |
| 65 | T | D | -1.3216 | Soluble |
| 66 | D | D | -1.0428 | Soluble |
| 67 | Y | D | -0.4541 | Soluble |
| 68 | N | D | -0.2943 | Soluble |
| 69 | T | D | -0.3587 | Soluble |
| 70 | P | D | -0.3977 | Soluble |
| 71 | F | D | 0.0000 | Buried |
| 72 | T | D | -0.4898 | Soluble |
| 74 | S | D | -0.5890 | Soluble |
| 75 | R | D | -1.0788 | Soluble |
| 76 | L | D | 0.0000 | Buried |
| 77 | S | D | -1.2050 | Soluble |
| 78 | I | D | 0.0000 | Buried |
| 79 | N | D | -1.9246 | Soluble |
| 80 | K | D | -1.6394 | Soluble |
| 81 | D | D | -2.0338 | Soluble |
| 82 | N | D | -2.5355 | Soluble |
| 83 | S | D | -1.8925 | Soluble |
| 84 | K | D | -2.5782 | Soluble |
| 85 | S | D | -1.9800 | Soluble |
| 86 | Q | D | -1.5957 | Soluble |
| 87 | V | D | 0.0000 | Buried |
| 88 | F | D | -0.6351 | Soluble |
| 89 | F | D | 0.0000 | Buried |
| 90 | K | D | -1.9213 | Soluble |
| 91 | M | D | 0.0000 | Buried |
| 92 | N | D | -2.0059 | Soluble |
| 93 | S | D | -1.5305 | Soluble |
| 94 | L | D | 0.0000 | Buried |
| 95 | Q | D | -2.0272 | Soluble |
| 96 | S | D | -1.4391 | Soluble |
| 97 | N | D | -1.7490 | Soluble |
| 98 | D | D | 0.0000 | Buried |
| 99 | T | D | -0.5456 | Soluble |
| 100 | A | D | 0.0000 | Buried |
| 101 | I | D | 0.4581 | Aggregation-prone |
| 102 | Y | D | 0.0000 | Buried |
| 103 | Y | D | 0.0000 | Buried |
| 104 | C | D | 0.0000 | Buried |
| 105 | A | D | 0.0000 | Buried |
| 106 | R | D | 0.0000 | Buried |
| 107 | A | D | 0.0000 | Buried |
| 108 | L | D | 1.0691 | Aggregation-prone |
| 109 | T | D | 1.1188 | Aggregation-prone |
| 110 | Y | D | 1.7228 | Aggregation-prone |
| 111 | Y | D | 1.9081 | Aggregation-prone |
| 112 | D | D | 0.0000 | Buried |
| 113 | Y | D | 0.6269 | Aggregation-prone |
| 114 | E | D | 0.0000 | Buried |
| 115 | F | D | 0.0000 | Buried |
| 116 | A | D | 0.0156 | Aggregation-prone |
| 117 | Y | D | 0.0519 | Aggregation-prone |
| 118 | W | D | -0.5039 | Soluble |
| 119 | G | D | 0.0000 | Buried |
| 120 | Q | D | -1.7236 | Soluble |
| 121 | G | D | -0.8470 | Soluble |
| 122 | T | D | 0.0000 | Buried |
| 123 | L | D | 0.1115 | Aggregation-prone |
| 124 | V | D | 0.0000 | Buried |
| 125 | T | D | -0.2577 | Soluble |
| 126 | V | D | 0.0000 | Buried |
| 127 | S | D | -0.4142 | Soluble |
| 128 | A | D | -0.2211 | Soluble |
| 129 | A | D | -0.2411 | Soluble |
| 130 | S | D | -0.4986 | Soluble |
| 131 | T | D | -0.7675 | Soluble |
| 132 | K | D | -1.3932 | Soluble |
| 133 | G | D | -1.4182 | Soluble |
| 134 | P | D | 0.0000 | Buried |
| 135 | S | D | -0.4621 | Soluble |
| 136 | V | D | 0.0000 | Buried |
| 137 | F | D | 0.0000 | Buried |
| 138 | P | D | -1.1636 | Soluble |
| 139 | L | D | 0.0000 | Buried |
| 140 | A | D | -1.1318 | Soluble |
| 141 | P | D | 0.0000 | Buried |
| 142 | S | D | -0.8557 | Soluble |
| 143 | S | D | -0.5284 | Soluble |
| 144 | G | D | -0.7653 | Soluble |
| 145 | G | D | -0.8825 | Soluble |
| 146 | T | D | -0.6257 | Soluble |
| 147 | A | D | 0.0000 | Buried |
| 148 | A | D | 0.0000 | Buried |
| 149 | L | D | 0.0000 | Buried |
| 150 | G | D | 0.0000 | Buried |
| 151 | C | D | 0.0000 | Buried |
| 152 | L | D | 0.0000 | Buried |
| 153 | V | D | 0.0000 | Buried |
| 154 | K | D | 0.0000 | Buried |
| 155 | D | D | -0.5592 | Soluble |
| 156 | Y | D | 0.0000 | Buried |
| 157 | F | D | -0.3327 | Soluble |
| 158 | P | D | 0.0000 | Buried |
| 159 | E | D | -0.4321 | Soluble |
| 160 | P | D | -0.6178 | Soluble |
| 161 | V | D | -0.6021 | Soluble |
| 162 | T | D | -0.5752 | Soluble |
| 163 | V | D | -0.3514 | Soluble |
| 164 | S | D | -0.4044 | Soluble |
| 165 | W | D | 0.0000 | Buried |
| 166 | N | D | -0.8703 | Soluble |
| 167 | S | D | -0.6725 | Soluble |
| 168 | G | D | -0.5666 | Soluble |
| 169 | A | D | -0.2775 | Soluble |
| 170 | L | D | -0.0631 | Soluble |
| 171 | T | D | -0.2012 | Soluble |
| 172 | S | D | -0.2152 | Soluble |
| 173 | G | D | -0.2734 | Soluble |
| 174 | V | D | 0.1329 | Aggregation-prone |
| 175 | H | D | -0.3227 | Soluble |
| 176 | T | D | -0.0161 | Soluble |
| 177 | F | D | 0.0000 | Buried |
| 178 | P | D | -0.3053 | Soluble |
| 179 | A | D | 0.2062 | Aggregation-prone |
| 180 | V | D | 0.5321 | Aggregation-prone |
| 181 | L | D | 1.1825 | Aggregation-prone |
| 182 | Q | D | 0.2651 | Aggregation-prone |
| 183 | S | D | -0.0606 | Soluble |
| 184 | S | D | -0.2390 | Soluble |
| 185 | G | D | 0.0440 | Aggregation-prone |
| 186 | L | D | 0.0816 | Aggregation-prone |
| 187 | Y | D | 0.3942 | Aggregation-prone |
| 188 | S | D | 0.0000 | Buried |
| 189 | L | D | 0.0000 | Buried |
| 190 | S | D | 0.0000 | Buried |
| 191 | S | D | 0.0000 | Buried |
| 192 | V | D | 0.0000 | Buried |
| 193 | V | D | 0.0000 | Buried |
| 194 | T | D | -0.1557 | Soluble |
| 195 | V | D | 0.0000 | Buried |
| 196 | P | D | -0.5692 | Soluble |
| 197 | S | D | -0.6511 | Soluble |
| 198 | S | D | -0.6661 | Soluble |
| 199 | S | D | -0.7004 | Soluble |
| 200 | L | D | -0.8952 | Soluble |
| 201 | G | D | -1.0223 | Soluble |
| 202 | T | D | -0.8649 | Soluble |
| 203 | Q | D | -1.5062 | Soluble |
| 204 | T | D | -1.1729 | Soluble |
| 205 | Y | D | 0.0000 | Buried |
| 206 | I | D | -1.0919 | Soluble |
| 207 | C | D | 0.0000 | Buried |
| 208 | N | D | -1.3105 | Soluble |
| 209 | V | D | 0.0000 | Buried |
| 210 | N | D | -1.9484 | Soluble |
| 211 | H | D | 0.0000 | Buried |
| 212 | K | D | -2.3867 | Soluble |
| 213 | P | D | -1.4255 | Soluble |
| 214 | S | D | -1.6938 | Soluble |
| 215 | N | D | -2.4513 | Soluble |
| 216 | T | D | -1.9968 | Soluble |
| 217 | K | D | -2.5467 | Soluble |
| 218 | V | D | -1.2833 | Soluble |
| 219 | D | D | -1.9762 | Soluble |
| 220 | K | D | -1.7118 | Soluble |
| 221 | K | D | -1.9233 | Soluble |
| 222 | V | D | 0.0000 | Buried |
| 223 | E | D | -2.5883 | Soluble |
| 224 | P | D | -1.8980 | Soluble |
| 225 | K | D | -2.5303 | Soluble |
| 226 | S | D | -1.2973 | Soluble |
| 1 | D | C | -1.4226 | Soluble |
| 2 | I | C | 0.0000 | Buried |
| 3 | L | C | 0.6014 | Aggregation-prone |
| 4 | L | C | 0.0000 | Buried |
| 5 | T | C | -0.4146 | Soluble |
| 6 | Q | C | -0.1900 | Soluble |
| 7 | S | C | 0.1154 | Aggregation-prone |
| 8 | P | C | 0.8971 | Aggregation-prone |
| 9 | V | C | 2.0554 | Aggregation-prone |
| 10 | I | C | 1.6321 | Aggregation-prone |
| 11 | L | C | 0.7143 | Aggregation-prone |
| 12 | S | C | -0.2982 | Soluble |
| 13 | V | C | -1.1289 | Soluble |
| 14 | S | C | -1.7352 | Soluble |
| 15 | P | C | -1.9686 | Soluble |
| 16 | G | C | -2.1749 | Soluble |
| 17 | E | C | -2.9597 | Soluble |
| 18 | R | C | -3.2570 | Soluble |
| 19 | V | C | 0.0000 | Buried |
| 20 | S | C | -0.8461 | Soluble |
| 21 | F | C | 0.0000 | Buried |
| 22 | S | C | -0.8627 | Soluble |
| 23 | C | C | 0.0000 | Buried |
| 24 | R | C | -2.4809 | Soluble |
| 25 | A | C | 0.0000 | Buried |
| 26 | S | C | -1.0203 | Soluble |
| 27 | Q | C | -1.5864 | Soluble |
| 28 | S | C | -1.5177 | Soluble |
| 29 | I | C | 0.0000 | Buried |
| 36 | G | C | -1.0063 | Soluble |
| 37 | T | C | -0.9954 | Soluble |
| 38 | N | C | -0.9522 | Soluble |
| 39 | I | C | 0.0000 | Buried |
| 40 | H | C | 0.0000 | Buried |
| 41 | W | C | 0.0000 | Buried |
| 42 | Y | C | 0.0000 | Buried |
| 43 | Q | C | 0.0000 | Buried |
| 44 | Q | C | -0.9933 | Soluble |
| 45 | R | C | -1.5800 | Soluble |
| 46 | T | C | -1.4416 | Soluble |
| 47 | N | C | -1.8806 | Soluble |
| 48 | G | C | -1.4077 | Soluble |
| 49 | S | C | -0.9711 | Soluble |
| 50 | P | C | 0.0000 | Buried |
| 51 | R | C | -0.8299 | Soluble |
| 52 | L | C | 0.0000 | Buried |
| 53 | L | C | 0.0000 | Buried |
| 54 | I | C | 0.0000 | Buried |
| 55 | K | C | -1.1216 | Soluble |
| 56 | Y | C | -1.0121 | Soluble |
| 57 | A | C | 0.0000 | Buried |
| 65 | D | C | -2.8621 | Soluble |
| 66 | E | C | -2.7752 | Soluble |
| 67 | S | C | -1.9422 | Soluble |
| 68 | I | C | -1.4590 | Soluble |
| 69 | D | C | -1.8983 | Soluble |
| 70 | G | C | -1.2356 | Soluble |
| 71 | I | C | -0.7379 | Soluble |
| 72 | P | C | -0.5359 | Soluble |
| 74 | S | C | -0.5933 | Soluble |
| 75 | R | C | -1.2122 | Soluble |
| 76 | F | C | 0.0000 | Buried |
| 77 | S | C | -1.3887 | Soluble |
| 78 | G | C | -1.4281 | Soluble |
| 79 | S | C | -1.3932 | Soluble |
| 80 | G | C | -1.3491 | Soluble |
| 83 | S | C | -1.0743 | Soluble |
| 84 | G | C | -1.2988 | Soluble |
| 85 | T | C | -1.8626 | Soluble |
| 86 | D | C | -2.4920 | Soluble |
| 87 | F | C | 0.0000 | Buried |
| 88 | T | C | -1.1008 | Soluble |
| 89 | L | C | 0.0000 | Buried |
| 90 | S | C | -1.0352 | Soluble |
| 91 | I | C | 0.0000 | Buried |
| 92 | N | C | -2.7839 | Soluble |
| 93 | S | C | -2.4545 | Soluble |
| 94 | V | C | 0.0000 | Buried |
| 95 | E | C | -2.2705 | Soluble |
| 96 | S | C | -2.2489 | Soluble |
| 97 | E | C | -2.1426 | Soluble |
| 98 | D | C | 0.0000 | Buried |
| 99 | I | C | -1.3410 | Soluble |
| 100 | A | C | 0.0000 | Buried |
| 101 | D | C | 0.0000 | Buried |
| 102 | Y | C | 0.0000 | Buried |
| 103 | Y | C | 0.0000 | Buried |
| 104 | C | C | 0.0000 | Buried |
| 105 | Q | C | 0.0000 | Buried |
| 106 | Q | C | 0.0000 | Buried |
| 107 | N | C | -0.6391 | Soluble |
| 108 | N | C | -1.2642 | Soluble |
| 109 | N | C | -1.0680 | Soluble |
| 114 | W | C | 0.1349 | Aggregation-prone |
| 115 | P | C | -0.2896 | Soluble |
| 116 | T | C | 0.0000 | Buried |
| 117 | T | C | -0.1478 | Soluble |
| 118 | F | C | 0.2521 | Aggregation-prone |
| 119 | G | C | 0.0000 | Buried |
| 120 | A | C | -0.2232 | Soluble |
| 121 | G | C | -0.1016 | Soluble |
| 122 | T | C | 0.0000 | Buried |
| 123 | K | C | -0.1271 | Soluble |
| 124 | L | C | 0.0000 | Buried |
| 125 | E | C | -1.0259 | Soluble |
| 126 | L | C | 0.0000 | Buried |
| 127 | K | C | -1.5549 | Soluble |
| 128 | R | C | -1.1974 | Soluble |
| 129 | T | C | -0.0958 | Soluble |
| 130 | V | C | 0.4153 | Aggregation-prone |
| 131 | A | C | -0.0091 | Soluble |
| 132 | A | C | -0.1105 | Soluble |
| 133 | P | C | 0.0000 | Buried |
| 134 | S | C | -0.1662 | Soluble |
| 135 | V | C | 0.0000 | Buried |
| 136 | F | C | 0.1540 | Aggregation-prone |
| 137 | I | C | 0.1407 | Aggregation-prone |
| 138 | F | C | 0.0000 | Buried |
| 139 | P | C | -0.4474 | Soluble |
| 140 | P | C | 0.0000 | Buried |
| 141 | S | C | 0.0000 | Buried |
| 142 | D | C | -2.9751 | Soluble |
| 143 | E | C | -2.7262 | Soluble |
| 144 | Q | C | 0.0000 | Buried |
| 145 | L | C | -2.2173 | Soluble |
| 146 | K | C | -2.7137 | Soluble |
| 147 | S | C | -1.6812 | Soluble |
| 148 | G | C | -1.3186 | Soluble |
| 149 | T | C | -0.9741 | Soluble |
| 150 | A | C | 0.0000 | Buried |
| 151 | S | C | 0.0000 | Buried |
| 152 | V | C | 0.0000 | Buried |
| 153 | V | C | 0.0000 | Buried |
| 154 | C | C | 0.0000 | Buried |
| 155 | L | C | 0.0000 | Buried |
| 156 | L | C | 0.0000 | Buried |
| 157 | N | C | 0.0000 | Buried |
| 158 | N | C | -0.9568 | Soluble |
| 159 | F | C | 0.0000 | Buried |
| 160 | Y | C | -1.0873 | Soluble |
| 161 | P | C | -1.6484 | Soluble |
| 162 | R | C | -2.9835 | Soluble |
| 163 | E | C | -3.2095 | Soluble |
| 164 | A | C | -2.3909 | Soluble |
| 165 | K | C | -2.6522 | Soluble |
| 166 | V | C | 0.0000 | Buried |
| 167 | Q | C | -1.0358 | Soluble |
| 168 | W | C | 0.0000 | Buried |
| 169 | K | C | -0.9122 | Soluble |
| 170 | V | C | 0.0000 | Buried |
| 171 | D | C | -2.0505 | Soluble |
| 172 | N | C | -1.6185 | Soluble |
| 173 | A | C | -0.3380 | Soluble |
| 174 | L | C | 0.6366 | Aggregation-prone |
| 175 | Q | C | -0.1965 | Soluble |
| 176 | S | C | -0.4444 | Soluble |
| 177 | G | C | -0.9714 | Soluble |
| 178 | N | C | -0.9614 | Soluble |
| 179 | S | C | -1.1682 | Soluble |
| 180 | Q | C | -1.2660 | Soluble |
| 181 | E | C | -1.5926 | Soluble |
| 182 | S | C | -0.8712 | Soluble |
| 183 | V | C | -0.8080 | Soluble |
| 184 | T | C | -1.1055 | Soluble |
| 185 | E | C | -2.1625 | Soluble |
| 186 | Q | C | 0.0000 | Buried |
| 187 | D | C | -1.9678 | Soluble |
| 188 | S | C | -2.2377 | Soluble |
| 189 | K | C | -2.6505 | Soluble |
| 190 | D | C | -1.9613 | Soluble |
| 191 | S | C | 0.0000 | Buried |
| 192 | T | C | 0.0000 | Buried |
| 193 | Y | C | 0.0000 | Buried |
| 194 | S | C | 0.0000 | Buried |
| 195 | L | C | 0.0000 | Buried |
| 196 | S | C | 0.0000 | Buried |
| 197 | S | C | 0.0000 | Buried |
| 198 | T | C | -0.5811 | Soluble |
| 199 | L | C | 0.0000 | Buried |
| 200 | T | C | -0.3404 | Soluble |
| 201 | L | C | -0.6972 | Soluble |
| 202 | S | C | -1.0817 | Soluble |
| 203 | K | C | -2.1134 | Soluble |
| 204 | A | C | -1.9784 | Soluble |
| 205 | D | C | -2.7261 | Soluble |
| 206 | Y | C | 0.0000 | Buried |
| 207 | E | C | -3.7346 | Soluble |
| 208 | K | C | -3.7821 | Soluble |
| 209 | H | C | -3.1227 | Soluble |
| 210 | K | C | -3.3054 | Soluble |
| 211 | V | C | -1.3898 | Soluble |
| 212 | Y | C | 0.0000 | Buried |
| 213 | A | C | -0.9662 | Soluble |
| 214 | C | C | 0.0000 | Buried |
| 215 | E | C | -1.4883 | Soluble |
| 216 | V | C | 0.0000 | Buried |
| 217 | T | C | -1.4115 | Soluble |
| 218 | H | C | 0.0000 | Buried |
| 219 | Q | C | -1.7231 | Soluble |
| 220 | G | C | -0.4031 | Soluble |
| 221 | L | C | -0.2330 | Soluble |
| 222 | S | C | -0.4623 | Soluble |
| 223 | S | C | -0.4178 | Soluble |
| 224 | P | C | -0.6754 | Soluble |
| 225 | V | C | -0.2093 | Soluble |
| 226 | T | C | -0.6491 | Soluble |
| 227 | K | C | -0.7237 | Soluble |
| 228 | S | C | -0.5511 | Soluble |
| 229 | F | C | -0.9224 | Soluble |
| 230 | N | C | -1.9378 | Soluble |
| 231 | R | C | -2.6577 | Soluble |
| 232 | G | C | -2.2436 | Soluble |
| 233 | E | C | -2.5312 | 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 | -0.679 | 2.8969 | CSV PDB |
| 4.5 | -0.7258 | 2.8451 | CSV PDB |
| 5.0 | -0.7827 | 2.7729 | CSV PDB |
| 5.5 | -0.8401 | 2.6902 | CSV PDB |
| 6.0 | -0.8866 | 2.6034 | CSV PDB |
| 6.5 | -0.9117 | 2.5153 | CSV PDB |
| 7.0 | -0.9135 | 2.4268 | CSV PDB |
| 7.5 | -0.8989 | 2.3386 | CSV PDB |
| 8.0 | -0.875 | 2.3016 | CSV PDB |
| 8.5 | -0.8438 | 2.3641 | CSV PDB |
| 9.0 | -0.8053 | 2.4268 | CSV PDB |