Calculation Parameters
| Chain Sequence(s) |
QVQLQESGPGLVKPSQTLSLTCTVSGYSISSDSAWSWIRQPPGKGLEWIGYIQYSGSTNYNPSLKSRVTISRDTSKNQFSLKLSSVTAADTAVYYCARSVNYYGNSFAVGYWGQGTLVTVSSASTKGPSVFPLAPCSRSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVEIVLTQSPATLSLSPGERATLSCRASQGISDYLHWYQQKPGEAPRLLIKYTSQPATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQNGHSFPLTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
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 | -1.4448 | Soluble |
| 2 | V | B | -0.9072 | Soluble |
| 3 | Q | B | -1.7407 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | Q | B | -1.9112 | Soluble |
| 6 | E | B | 0.0000 | Buried |
| 7 | S | B | -0.8300 | Soluble |
| 8 | G | B | -0.4344 | Soluble |
| 9 | P | B | -0.5285 | Soluble |
| 11 | G | B | 0.0000 | Buried |
| 12 | L | B | -0.2290 | Soluble |
| 13 | V | B | -0.9195 | Soluble |
| 14 | K | B | -2.0675 | Soluble |
| 15 | P | B | -1.4170 | Soluble |
| 16 | S | B | -1.3198 | Soluble |
| 17 | Q | B | -1.8254 | Soluble |
| 18 | T | B | -1.3589 | Soluble |
| 19 | L | B | 0.0000 | Buried |
| 20 | S | B | -0.7919 | Soluble |
| 21 | L | B | 0.0000 | Buried |
| 22 | T | B | -0.6949 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | T | B | -1.2153 | Soluble |
| 25 | V | B | 0.0000 | Buried |
| 26 | S | B | -1.0363 | Soluble |
| 27 | G | B | -0.9402 | Soluble |
| 28 | Y | B | -0.6147 | Soluble |
| 29 | S | B | -0.5390 | Soluble |
| 30 | I | B | 0.0000 | Buried |
| 31 | S | B | -0.6437 | Soluble |
| 35 | S | B | -1.0049 | Soluble |
| 36 | D | B | -1.5763 | Soluble |
| 37 | S | B | 0.0000 | Buried |
| 38 | A | B | 0.0000 | Buried |
| 39 | W | B | 0.0000 | Buried |
| 40 | S | B | 0.0000 | Buried |
| 41 | W | B | 0.0000 | Buried |
| 42 | I | B | 0.0000 | Buried |
| 43 | R | B | 0.0000 | Buried |
| 44 | Q | B | 0.0000 | Buried |
| 45 | P | B | -0.7581 | Soluble |
| 46 | P | B | -0.8376 | Soluble |
| 47 | G | B | -1.3249 | Soluble |
| 48 | K | B | -1.7448 | Soluble |
| 49 | G | B | -1.4454 | Soluble |
| 50 | L | B | 0.0000 | Buried |
| 51 | E | B | -1.0925 | Soluble |
| 52 | W | B | 0.0000 | Buried |
| 53 | I | B | 0.0000 | Buried |
| 54 | G | B | 0.0000 | Buried |
| 55 | Y | B | 0.0000 | Buried |
| 56 | I | B | 0.0000 | Buried |
| 57 | Q | B | -0.6199 | Soluble |
| 58 | Y | B | -0.3304 | Soluble |
| 59 | S | B | -0.4672 | Soluble |
| 63 | G | B | -0.5931 | Soluble |
| 64 | S | B | -0.5191 | Soluble |
| 65 | T | B | -0.5943 | Soluble |
| 66 | N | B | -1.0333 | Soluble |
| 67 | Y | B | -0.7983 | Soluble |
| 68 | N | B | 0.0000 | Buried |
| 69 | P | B | -1.2173 | Soluble |
| 70 | S | B | -1.0401 | Soluble |
| 71 | L | B | 0.0000 | Buried |
| 72 | K | B | -1.9849 | Soluble |
| 74 | S | B | -1.2314 | Soluble |
| 75 | R | B | -1.2870 | Soluble |
| 76 | V | B | 0.0000 | Buried |
| 77 | T | B | -1.0334 | Soluble |
| 78 | I | B | 0.0000 | Buried |
| 79 | S | B | -0.9950 | Soluble |
| 80 | R | B | -1.4833 | Soluble |
| 81 | D | B | -2.0037 | Soluble |
| 82 | T | B | -1.5290 | Soluble |
| 83 | S | B | -1.5838 | Soluble |
| 84 | K | B | -2.4330 | Soluble |
| 85 | N | B | -1.8185 | Soluble |
| 86 | Q | B | -1.6970 | Soluble |
| 87 | F | B | 0.0000 | Buried |
| 88 | S | B | -0.8218 | Soluble |
| 89 | L | B | 0.0000 | Buried |
| 90 | K | B | -1.5231 | Soluble |
| 91 | L | B | 0.0000 | Buried |
| 92 | S | B | -1.1040 | Soluble |
| 93 | S | B | -1.0150 | Soluble |
| 94 | V | B | 0.0000 | Buried |
| 95 | T | B | -0.5440 | Soluble |
| 96 | A | B | -0.2172 | Soluble |
| 97 | A | B | 0.0474 | Aggregation-prone |
| 98 | D | B | 0.0000 | Buried |
| 99 | T | B | 0.0930 | Aggregation-prone |
| 100 | A | B | 0.0000 | Buried |
| 101 | V | B | 0.0280 | 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 | 0.0175 | Aggregation-prone |
| 107 | S | B | 0.0000 | Buried |
| 108 | V | B | 0.0966 | Aggregation-prone |
| 109 | N | B | -0.1344 | Soluble |
| 110 | Y | B | 0.0202 | Aggregation-prone |
| 111 | Y | B | 0.5831 | Aggregation-prone |
| 111A | G | B | -0.4251 | Soluble |
| 112A | N | B | -1.1016 | Soluble |
| 112 | S | B | -0.3430 | Soluble |
| 113 | F | B | 0.0000 | Buried |
| 114 | A | B | 0.0000 | Buried |
| 115 | V | B | 0.0000 | Buried |
| 116 | G | B | -0.0061 | Soluble |
| 117 | Y | B | 0.3233 | Aggregation-prone |
| 118 | W | B | -0.6543 | Soluble |
| 119 | G | B | 0.0000 | Buried |
| 120 | Q | B | -2.0861 | Soluble |
| 121 | G | B | -1.1363 | Soluble |
| 122 | T | B | -0.4044 | Soluble |
| 123 | L | B | 0.0151 | Aggregation-prone |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | 0.0000 | Buried |
| 126 | V | B | 0.0000 | Buried |
| 127 | S | B | -0.6752 | Soluble |
| 128 | S | B | -0.7473 | Soluble |
| 129 | A | B | -0.6263 | Soluble |
| 130 | S | B | -0.8471 | Soluble |
| 131 | T | B | -1.0651 | Soluble |
| 132 | K | B | -2.0493 | Soluble |
| 133 | G | B | -1.9022 | Soluble |
| 134 | P | B | 0.0000 | Buried |
| 135 | S | B | -0.8409 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | 0.0000 | Buried |
| 138 | P | B | -0.6814 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | 0.1057 | Aggregation-prone |
| 141 | P | B | -0.1379 | Soluble |
| 142 | C | B | -0.4884 | Soluble |
| 143 | S | B | -1.0562 | Soluble |
| 144 | R | B | -1.9098 | Soluble |
| 145 | S | B | -1.2038 | Soluble |
| 146 | S | B | -0.4070 | Soluble |
| 147 | T | B | -0.3710 | Soluble |
| 148 | A | B | -0.4138 | Soluble |
| 149 | A | B | 0.0000 | Buried |
| 150 | L | B | 0.0000 | Buried |
| 151 | G | B | 0.0000 | Buried |
| 152 | C | B | 0.0000 | Buried |
| 153 | L | B | 0.0000 | Buried |
| 154 | V | B | 0.0000 | Buried |
| 155 | K | B | -0.5240 | Soluble |
| 156 | D | B | -1.4780 | Soluble |
| 157 | Y | B | 0.0000 | Buried |
| 158 | F | B | 0.0000 | Buried |
| 159 | P | B | 0.0000 | Buried |
| 160 | E | B | -0.7626 | Soluble |
| 161 | P | B | -0.6699 | Soluble |
| 162 | V | B | -0.6006 | Soluble |
| 163 | T | B | -0.5125 | Soluble |
| 164 | V | B | 0.0000 | Buried |
| 165 | S | B | -0.5660 | Soluble |
| 166 | W | B | 0.0000 | Buried |
| 167 | N | B | -0.8960 | Soluble |
| 168 | S | B | -0.7072 | Soluble |
| 169 | G | B | -0.5231 | Soluble |
| 170 | A | B | -0.2113 | Soluble |
| 171 | L | B | -0.0392 | Soluble |
| 172 | T | B | -0.1681 | Soluble |
| 173 | S | B | -0.1661 | Soluble |
| 174 | G | B | -0.1859 | Soluble |
| 175 | V | B | 0.1365 | Aggregation-prone |
| 176 | H | B | -0.3255 | Soluble |
| 177 | T | B | -0.0431 | Soluble |
| 178 | F | B | 0.0000 | Buried |
| 179 | P | B | -0.3264 | Soluble |
| 180 | A | B | 0.2403 | Aggregation-prone |
| 181 | V | B | 0.6965 | Aggregation-prone |
| 182 | L | B | 1.3123 | Aggregation-prone |
| 183 | Q | B | 0.2214 | Aggregation-prone |
| 184 | S | B | -0.1981 | Soluble |
| 185 | S | B | -0.2189 | Soluble |
| 186 | G | B | 0.0048 | Aggregation-prone |
| 187 | L | B | -0.0209 | Soluble |
| 188 | Y | B | 0.3541 | Aggregation-prone |
| 189 | S | B | 0.0765 | Aggregation-prone |
| 190 | L | B | 0.0000 | Buried |
| 191 | S | B | 0.0000 | Buried |
| 192 | S | B | 0.0000 | Buried |
| 193 | V | B | 0.0000 | Buried |
| 194 | V | B | 0.0000 | Buried |
| 195 | T | B | -0.1399 | Soluble |
| 196 | V | B | 0.0000 | Buried |
| 197 | P | B | -0.3928 | Soluble |
| 198 | S | B | -0.6613 | Soluble |
| 199 | S | B | -0.5616 | Soluble |
| 200 | S | B | -0.6290 | Soluble |
| 201 | L | B | -0.5478 | Soluble |
| 202 | G | B | -0.7442 | Soluble |
| 203 | T | B | -0.8704 | Soluble |
| 204 | K | B | -1.3777 | Soluble |
| 205 | T | B | -0.9964 | Soluble |
| 206 | Y | B | 0.0000 | Buried |
| 207 | T | B | -1.5462 | Soluble |
| 208 | C | B | 0.0000 | Buried |
| 209 | N | B | -1.7044 | Soluble |
| 210 | V | B | 0.0000 | Buried |
| 211 | D | B | -2.0134 | Soluble |
| 212 | H | B | 0.0000 | Buried |
| 213 | K | B | -2.7337 | Soluble |
| 214 | P | B | -1.7135 | Soluble |
| 215 | S | B | -1.9776 | Soluble |
| 216 | N | B | -2.4929 | Soluble |
| 217 | T | B | -2.1062 | Soluble |
| 218 | K | B | -2.7468 | Soluble |
| 219 | V | B | -1.6668 | Soluble |
| 220 | D | B | -2.7666 | Soluble |
| 221 | K | B | -2.1277 | Soluble |
| 222 | R | B | -2.0762 | Soluble |
| 223 | V | B | -0.1442 | Soluble |
| 1 | E | A | -1.3821 | Soluble |
| 2 | I | A | 0.0000 | Buried |
| 3 | V | A | 0.8290 | Aggregation-prone |
| 4 | L | A | 0.0000 | Buried |
| 5 | T | A | -0.5517 | Soluble |
| 6 | Q | A | -0.9856 | Soluble |
| 7 | S | A | -0.8031 | Soluble |
| 8 | P | A | -0.3384 | Soluble |
| 9 | A | A | -0.4376 | Soluble |
| 10 | T | A | -0.3571 | Soluble |
| 11 | L | A | -0.1811 | Soluble |
| 12 | S | A | -0.4481 | Soluble |
| 13 | L | A | -0.9917 | Soluble |
| 14 | S | A | -1.5843 | Soluble |
| 15 | P | A | -1.9946 | Soluble |
| 16 | G | A | -1.9040 | Soluble |
| 17 | E | A | -2.7041 | Soluble |
| 18 | R | A | -2.8735 | Soluble |
| 19 | A | A | 0.0000 | Buried |
| 20 | T | A | -0.5538 | Soluble |
| 21 | L | A | 0.0000 | Buried |
| 22 | S | A | -1.0337 | Soluble |
| 23 | C | A | 0.0000 | Buried |
| 24 | R | A | -2.3380 | Soluble |
| 25 | A | A | 0.0000 | Buried |
| 26 | S | A | -0.8654 | Soluble |
| 27 | Q | A | -1.2918 | Soluble |
| 28 | G | A | -1.4274 | Soluble |
| 29 | I | A | 0.0000 | Buried |
| 36 | S | A | -0.9720 | Soluble |
| 37 | D | A | -0.9360 | Soluble |
| 38 | Y | A | -0.0294 | Soluble |
| 39 | L | 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 | 0.0000 | Buried |
| 45 | K | A | -1.5915 | Soluble |
| 46 | P | A | -1.4234 | Soluble |
| 47 | G | A | -1.8492 | Soluble |
| 48 | E | A | -2.5788 | Soluble |
| 49 | A | A | -1.5151 | Soluble |
| 50 | P | A | 0.0000 | Buried |
| 51 | R | A | -1.0929 | Soluble |
| 52 | L | A | -0.2949 | Soluble |
| 53 | L | A | 0.0000 | Buried |
| 54 | I | A | 0.0000 | Buried |
| 55 | K | A | -0.6976 | Soluble |
| 56 | Y | A | -0.5083 | Soluble |
| 57 | T | A | 0.0000 | Buried |
| 65 | S | A | -1.0863 | Soluble |
| 66 | Q | A | -1.4493 | Soluble |
| 67 | P | A | -0.8105 | Soluble |
| 68 | A | A | -0.5930 | Soluble |
| 69 | T | A | -0.3537 | Soluble |
| 70 | G | A | -0.3938 | Soluble |
| 71 | I | A | -0.1802 | Soluble |
| 72 | P | A | -0.1684 | Soluble |
| 74 | A | A | -0.2095 | Soluble |
| 75 | R | A | -0.7171 | Soluble |
| 76 | F | A | 0.0000 | Buried |
| 77 | S | A | -0.5539 | Soluble |
| 78 | G | A | -0.6209 | Soluble |
| 79 | S | A | -0.9818 | Soluble |
| 80 | G | A | -1.3909 | Soluble |
| 83 | S | A | -1.2382 | Soluble |
| 84 | G | A | -1.4892 | Soluble |
| 85 | T | A | -2.0129 | Soluble |
| 86 | D | A | -2.8066 | Soluble |
| 87 | F | A | 0.0000 | Buried |
| 88 | T | A | -0.9281 | Soluble |
| 89 | L | A | 0.0000 | Buried |
| 90 | T | A | -0.6249 | Soluble |
| 91 | I | A | 0.0000 | Buried |
| 92 | S | A | -1.4567 | Soluble |
| 93 | S | A | -1.5558 | Soluble |
| 94 | L | A | 0.0000 | Buried |
| 95 | E | A | -2.0975 | Soluble |
| 96 | P | A | -2.2786 | Soluble |
| 97 | E | A | -2.7382 | Soluble |
| 98 | D | A | 0.0000 | Buried |
| 99 | F | A | 0.0000 | Buried |
| 100 | A | A | 0.0000 | Buried |
| 101 | V | A | -0.3884 | 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 | N | A | 0.0000 | Buried |
| 107 | G | A | 0.0000 | Buried |
| 108 | H | A | -0.4492 | Soluble |
| 109 | S | A | -0.3413 | Soluble |
| 114 | F | A | -0.1486 | Soluble |
| 115 | P | A | 0.0000 | Buried |
| 116 | L | A | 0.0000 | Buried |
| 117 | T | A | -0.1921 | Soluble |
| 118 | F | A | 0.0000 | Buried |
| 119 | G | A | 0.0000 | Buried |
| 120 | Q | A | -1.5354 | Soluble |
| 121 | G | A | -1.0504 | Soluble |
| 122 | T | A | 0.0000 | Buried |
| 123 | K | A | -0.9177 | Soluble |
| 124 | L | A | 0.0000 | Buried |
| 125 | E | A | -0.8201 | Soluble |
| 126 | I | A | 0.0000 | Buried |
| 127 | K | A | -1.1380 | Soluble |
| 128 | R | A | -0.7724 | Soluble |
| 129 | T | A | 0.2367 | Aggregation-prone |
| 130 | V | A | 1.2846 | Aggregation-prone |
| 131 | A | A | 0.5075 | Aggregation-prone |
| 132 | A | A | 0.1228 | Aggregation-prone |
| 133 | P | A | 0.0000 | Buried |
| 134 | S | A | -0.0448 | Soluble |
| 135 | V | A | 0.0000 | Buried |
| 136 | F | A | 0.0760 | Aggregation-prone |
| 137 | I | A | 0.0000 | Buried |
| 138 | F | A | 0.0000 | Buried |
| 139 | P | A | -0.5447 | Soluble |
| 140 | P | A | 0.0000 | Buried |
| 141 | S | A | -1.5909 | Soluble |
| 142 | D | A | -2.8923 | Soluble |
| 143 | E | A | -3.0346 | Soluble |
| 144 | Q | A | 0.0000 | Buried |
| 145 | L | A | -2.1208 | Soluble |
| 146 | K | A | -2.7932 | Soluble |
| 147 | S | A | -1.7531 | Soluble |
| 148 | G | A | -1.3896 | Soluble |
| 149 | T | A | -1.0072 | 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 | -0.3714 | Soluble |
| 158 | N | A | -0.7288 | Soluble |
| 159 | F | A | 0.0000 | Buried |
| 160 | Y | A | 0.0000 | Buried |
| 161 | P | A | 0.0000 | Buried |
| 162 | R | A | -3.0051 | Soluble |
| 163 | E | A | -3.2189 | Soluble |
| 164 | A | A | 0.0000 | Buried |
| 165 | K | A | -2.7151 | Soluble |
| 166 | V | A | -1.6766 | Soluble |
| 167 | Q | A | -1.9369 | Soluble |
| 168 | W | A | 0.0000 | Buried |
| 169 | K | A | -1.9125 | Soluble |
| 170 | V | A | 0.0000 | Buried |
| 171 | D | A | -2.4456 | Soluble |
| 172 | N | A | -1.9049 | Soluble |
| 173 | A | A | -1.0670 | Soluble |
| 174 | L | A | -0.5326 | Soluble |
| 175 | Q | A | -0.9513 | Soluble |
| 176 | S | A | -0.9347 | Soluble |
| 177 | G | A | -0.8583 | Soluble |
| 178 | N | A | -0.8004 | Soluble |
| 179 | S | A | -1.0596 | Soluble |
| 180 | Q | A | -0.8547 | Soluble |
| 181 | E | A | -1.5323 | Soluble |
| 182 | S | A | -0.5422 | Soluble |
| 183 | V | A | -0.7242 | Soluble |
| 184 | T | A | -1.0714 | Soluble |
| 185 | E | A | -2.1559 | Soluble |
| 186 | Q | A | 0.0000 | Buried |
| 187 | D | A | -1.9954 | Soluble |
| 188 | S | A | -2.2976 | Soluble |
| 189 | K | A | -2.6057 | Soluble |
| 190 | D | A | -2.0118 | 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 | -0.4023 | Soluble |
| 199 | L | A | 0.0000 | Buried |
| 200 | T | A | -0.2376 | Soluble |
| 201 | L | A | -0.6074 | Soluble |
| 202 | S | A | -1.3314 | Soluble |
| 203 | K | A | -2.1702 | Soluble |
| 204 | A | A | -2.1957 | Soluble |
| 205 | D | A | -3.2494 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | E | A | -3.9801 | Soluble |
| 208 | K | A | -3.9055 | Soluble |
| 209 | H | A | -3.4254 | Soluble |
| 210 | K | A | -3.3841 | Soluble |
| 211 | V | A | -2.0768 | Soluble |
| 212 | Y | A | 0.0000 | Buried |
| 213 | A | A | -1.3378 | Soluble |
| 214 | C | A | 0.0000 | Buried |
| 215 | E | A | -1.6427 | Soluble |
| 216 | V | A | 0.0000 | Buried |
| 217 | T | A | -1.2105 | Soluble |
| 218 | H | A | 0.0000 | Buried |
| 219 | Q | A | -1.2709 | Soluble |
| 220 | G | A | -0.2553 | Soluble |
| 221 | L | A | -0.1163 | Soluble |
| 222 | S | A | -0.4133 | Soluble |
| 223 | S | A | -0.2925 | Soluble |
| 224 | P | A | -0.3120 | Soluble |
| 225 | V | A | 0.3505 | Aggregation-prone |
| 226 | T | A | -0.6568 | Soluble |
| 227 | K | A | -0.8572 | Soluble |
| 228 | S | A | -0.7993 | Soluble |
| 229 | F | A | 0.0000 | Buried |
| 230 | N | A | -2.3218 | Soluble |
| 231 | R | A | -2.8109 | Soluble |
| 232 | G | A | -1.5894 | 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 | -0.7828 | 1.5312 | CSV PDB |
| 4.5 | -0.8232 | 1.5312 | CSV PDB |
| 5.0 | -0.8697 | 1.5314 | CSV PDB |
| 5.5 | -0.9134 | 1.532 | CSV PDB |
| 6.0 | -0.9437 | 1.5335 | CSV PDB |
| 6.5 | -0.9527 | 1.5366 | CSV PDB |
| 7.0 | -0.941 | 1.5414 | CSV PDB |
| 7.5 | -0.9154 | 1.6313 | CSV PDB |
| 8.0 | -0.8819 | 1.7395 | CSV PDB |
| 8.5 | -0.8423 | 1.8484 | CSV PDB |
| 9.0 | -0.7965 | 1.9563 | CSV PDB |