Calculation Parameters
| Chain Sequence(s) |
VQLQQSGPELEKPGASVKISCKASGYSFTGYTMNWVKQSHGKSLEWIGLITPYNGASSYNQKFRGKATLTVDKSSSTAYMDLLSLTSEDSAVYFCARGGYDGRGFDYWGSGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIELTQSPAIMSASPGEKVTMTCSASSSVSYMHWYQQKSGTSPKRWIYDTSKLASGVPGRFSGSGSGNSYSLTISSVEAEDDATYYCQQWSKHPLTFGSGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
input.pdb
|
| Selected Chain(s) | F (Heavy), E (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 | F | 0.5784 | Aggregation-prone |
| 3 | Q | F | -1.0093 | Soluble |
| 4 | L | F | 0.0000 | Buried |
| 5 | Q | F | -1.7620 | Soluble |
| 6 | Q | F | 0.0000 | Buried |
| 7 | S | F | -0.8290 | Soluble |
| 8 | G | F | -0.7989 | Soluble |
| 9 | P | F | -0.7098 | Soluble |
| 11 | E | F | -0.9574 | Soluble |
| 12 | L | F | -0.6305 | Soluble |
| 13 | E | F | -1.4150 | Soluble |
| 14 | K | F | -2.2061 | Soluble |
| 15 | P | F | -1.5689 | Soluble |
| 16 | G | F | -1.1007 | Soluble |
| 17 | A | F | -0.8400 | Soluble |
| 18 | S | F | -0.7826 | Soluble |
| 19 | V | F | -0.9856 | Soluble |
| 20 | K | F | -1.6818 | Soluble |
| 21 | I | F | 0.0000 | Buried |
| 22 | S | F | -0.8142 | Soluble |
| 23 | C | F | 0.0000 | Buried |
| 24 | K | F | -1.8143 | Soluble |
| 25 | A | F | 0.0000 | Buried |
| 26 | S | F | -0.7430 | Soluble |
| 27 | G | F | -0.2137 | Soluble |
| 28 | Y | F | 0.0054 | Aggregation-prone |
| 29 | S | F | -0.1398 | Soluble |
| 30 | F | F | 0.0000 | Buried |
| 35 | T | F | -0.0785 | Soluble |
| 36 | G | F | 0.1830 | Aggregation-prone |
| 37 | Y | F | 0.3374 | Aggregation-prone |
| 38 | T | F | 0.0000 | Buried |
| 39 | M | F | 0.0000 | Buried |
| 40 | N | F | 0.0000 | Buried |
| 41 | W | F | 0.0000 | Buried |
| 42 | V | F | 0.0000 | Buried |
| 43 | K | F | -0.6183 | Soluble |
| 44 | Q | F | 0.0000 | Buried |
| 45 | S | F | -1.5171 | Soluble |
| 46 | H | F | -1.7924 | Soluble |
| 47 | G | F | -1.8741 | Soluble |
| 48 | K | F | -2.5085 | Soluble |
| 49 | S | F | -1.5674 | Soluble |
| 50 | L | F | 0.0000 | Buried |
| 51 | E | F | -0.9210 | Soluble |
| 52 | W | F | 0.0000 | Buried |
| 53 | I | F | 0.0000 | Buried |
| 54 | G | F | 0.0000 | Buried |
| 55 | L | F | 0.2201 | Aggregation-prone |
| 56 | I | F | 0.0000 | Buried |
| 57 | T | F | 0.1948 | Aggregation-prone |
| 58 | P | F | 0.0000 | Buried |
| 59 | Y | F | 0.4267 | Aggregation-prone |
| 62 | N | F | -0.8566 | Soluble |
| 63 | G | F | -0.6674 | Soluble |
| 64 | A | F | -0.2550 | Soluble |
| 65 | S | F | -0.2268 | Soluble |
| 66 | S | F | -0.4893 | Soluble |
| 67 | Y | F | -1.1670 | Soluble |
| 68 | N | F | 0.0000 | Buried |
| 69 | Q | F | -2.8328 | Soluble |
| 70 | K | F | -2.9332 | Soluble |
| 71 | F | F | 0.0000 | Buried |
| 72 | R | F | -3.0308 | Soluble |
| 74 | G | F | -1.8344 | Soluble |
| 75 | K | F | -1.4127 | Soluble |
| 76 | A | F | 0.0000 | Buried |
| 77 | T | F | -0.6982 | Soluble |
| 78 | L | F | 0.0000 | Buried |
| 79 | T | F | -0.2247 | Soluble |
| 80 | V | F | -0.6718 | Soluble |
| 81 | D | F | -1.5648 | Soluble |
| 82 | K | F | -1.7495 | Soluble |
| 83 | S | F | -1.1558 | Soluble |
| 84 | S | F | -1.1302 | Soluble |
| 85 | S | F | -1.2120 | Soluble |
| 86 | T | F | -1.2109 | Soluble |
| 87 | A | F | 0.0000 | Buried |
| 88 | Y | F | -0.4625 | Soluble |
| 89 | M | F | 0.0000 | Buried |
| 90 | D | F | -0.8887 | Soluble |
| 91 | L | F | 0.0000 | Buried |
| 92 | L | F | -0.1036 | Soluble |
| 93 | S | F | -0.4833 | Soluble |
| 94 | L | F | 0.0000 | Buried |
| 95 | T | F | -1.2470 | Soluble |
| 96 | S | F | -1.5107 | Soluble |
| 97 | E | F | -1.9775 | Soluble |
| 98 | D | F | 0.0000 | Buried |
| 99 | S | F | -0.8552 | Soluble |
| 100 | A | F | -0.6889 | Soluble |
| 101 | V | F | 0.1099 | Aggregation-prone |
| 102 | Y | F | 0.0000 | Buried |
| 103 | F | F | 0.0000 | Buried |
| 104 | C | F | 0.0000 | Buried |
| 105 | A | F | 0.0000 | Buried |
| 106 | R | F | 0.0000 | Buried |
| 107 | G | F | 0.0000 | Buried |
| 108 | G | F | -0.1738 | Soluble |
| 109 | Y | F | 0.3137 | Aggregation-prone |
| 110 | D | F | -1.3082 | Soluble |
| 112 | G | F | -0.4966 | Soluble |
| 113 | R | F | -0.7466 | Soluble |
| 114 | G | F | -0.1168 | Soluble |
| 115 | F | F | 0.0000 | Buried |
| 116 | D | F | -0.0458 | Soluble |
| 117 | Y | F | 0.4378 | Aggregation-prone |
| 118 | W | F | -0.0627 | Soluble |
| 119 | G | F | 0.0000 | Buried |
| 120 | S | F | -0.6084 | Soluble |
| 121 | G | F | -0.3016 | Soluble |
| 122 | T | F | 0.0000 | Buried |
| 123 | P | F | -0.1189 | Soluble |
| 124 | V | F | 0.0000 | Buried |
| 125 | T | F | -0.7509 | Soluble |
| 126 | V | F | 0.0000 | Buried |
| 127 | S | F | -0.9699 | Soluble |
| 128 | S | F | -1.0403 | Soluble |
| 129 | A | F | -0.6114 | Soluble |
| 130 | S | F | -0.7174 | Soluble |
| 131 | T | F | -0.8341 | Soluble |
| 132 | K | F | -1.1962 | Soluble |
| 133 | G | F | -1.4746 | Soluble |
| 134 | P | F | -0.6961 | Soluble |
| 135 | S | F | -0.2597 | Soluble |
| 136 | V | F | 0.0000 | Buried |
| 137 | F | F | 0.0000 | Buried |
| 138 | P | F | -1.2676 | Soluble |
| 139 | L | F | 0.0000 | Buried |
| 140 | A | F | -1.3366 | Soluble |
| 141 | P | F | 0.0000 | Buried |
| 142 | S | F | -1.2565 | Soluble |
| 143 | S | F | -0.9934 | Soluble |
| 144 | K | F | -1.2465 | Soluble |
| 145 | S | F | 0.0000 | Buried |
| 146 | T | F | -0.7878 | Soluble |
| 147 | S | F | -0.8624 | Soluble |
| 148 | G | F | -0.8539 | Soluble |
| 149 | G | F | -0.9208 | Soluble |
| 150 | T | F | -0.6411 | Soluble |
| 151 | A | F | 0.0000 | Buried |
| 152 | A | F | 0.0000 | Buried |
| 153 | L | F | 0.0000 | Buried |
| 154 | G | F | 0.0000 | Buried |
| 156 | L | F | 0.0000 | Buried |
| 157 | V | F | 0.0000 | Buried |
| 158 | K | F | 0.0000 | Buried |
| 159 | D | F | -0.3613 | Soluble |
| 160 | Y | F | 0.0000 | Buried |
| 161 | F | F | 0.0000 | Buried |
| 162 | P | F | 0.0000 | Buried |
| 163 | E | F | -0.5909 | Soluble |
| 164 | P | F | -0.8726 | Soluble |
| 165 | V | F | -0.9157 | Soluble |
| 166 | T | F | -0.8337 | Soluble |
| 167 | V | F | -0.5669 | Soluble |
| 168 | S | F | -0.4984 | Soluble |
| 169 | W | F | 0.0000 | Buried |
| 170 | N | F | -0.7100 | Soluble |
| 171 | S | F | -0.6416 | Soluble |
| 172 | G | F | -0.5876 | Soluble |
| 173 | A | F | -0.2612 | Soluble |
| 174 | L | F | -0.0218 | Soluble |
| 175 | T | F | -0.1995 | Soluble |
| 176 | S | F | -0.2063 | Soluble |
| 177 | G | F | -0.2450 | Soluble |
| 178 | V | F | 0.1309 | Aggregation-prone |
| 179 | H | F | -0.3265 | Soluble |
| 180 | T | F | -0.0223 | Soluble |
| 181 | F | F | 0.0000 | Buried |
| 182 | P | F | -0.2844 | Soluble |
| 183 | A | F | 0.2964 | Aggregation-prone |
| 184 | V | F | 0.6952 | Aggregation-prone |
| 185 | L | F | 1.2908 | Aggregation-prone |
| 186 | Q | F | 0.3681 | Aggregation-prone |
| 187 | S | F | -0.0781 | Soluble |
| 188 | S | F | -0.2022 | Soluble |
| 189 | G | F | 0.0447 | Aggregation-prone |
| 190 | L | F | 0.2239 | Aggregation-prone |
| 191 | Y | F | 0.5032 | Aggregation-prone |
| 192 | S | F | 0.0000 | Buried |
| 193 | L | F | 0.0000 | Buried |
| 194 | S | F | 0.0000 | Buried |
| 195 | S | F | 0.0000 | Buried |
| 196 | V | F | 0.0000 | Buried |
| 197 | V | F | 0.0000 | Buried |
| 198 | T | F | -0.1350 | Soluble |
| 199 | V | F | 0.0000 | Buried |
| 200 | P | F | -0.6333 | Soluble |
| 201 | S | F | -0.6106 | Soluble |
| 202 | S | F | -0.5866 | Soluble |
| 203 | S | F | -0.6157 | Soluble |
| 204 | L | F | -0.7772 | Soluble |
| 205 | G | F | -0.9469 | Soluble |
| 206 | T | F | -0.6985 | Soluble |
| 207 | Q | F | -1.1742 | Soluble |
| 208 | T | F | -1.0436 | Soluble |
| 209 | Y | F | 0.0000 | Buried |
| 210 | I | F | -1.0518 | Soluble |
| 211 | C | F | 0.0000 | Buried |
| 212 | N | F | -1.5849 | Soluble |
| 213 | V | F | 0.0000 | Buried |
| 214 | N | F | -2.6822 | Soluble |
| 215 | H | F | 0.0000 | Buried |
| 216 | K | F | -3.0361 | Soluble |
| 217 | P | F | -1.7663 | Soluble |
| 218 | S | F | -1.9419 | Soluble |
| 219 | N | F | -2.6524 | Soluble |
| 220 | T | F | -2.3066 | Soluble |
| 221 | K | F | -2.9717 | Soluble |
| 222 | V | F | -1.5842 | Soluble |
| 223 | D | F | -2.3954 | Soluble |
| 224 | K | F | -1.7852 | Soluble |
| 225 | K | F | -2.2941 | Soluble |
| 226 | V | F | 0.0000 | Buried |
| 227 | E | F | -2.7737 | Soluble |
| 228 | P | F | -1.9256 | Soluble |
| 229 | K | F | -2.2713 | Soluble |
| 1 | D | E | -2.8263 | Soluble |
| 2 | I | E | 0.0000 | Buried |
| 3 | E | E | -2.4453 | Soluble |
| 4 | L | E | 0.0000 | Buried |
| 5 | T | E | -0.6934 | Soluble |
| 6 | Q | E | 0.0000 | Buried |
| 7 | S | E | -0.0610 | Soluble |
| 8 | P | E | 0.2366 | Aggregation-prone |
| 9 | A | E | 0.5241 | Aggregation-prone |
| 10 | I | E | 1.3234 | Aggregation-prone |
| 11 | M | E | 0.4768 | Aggregation-prone |
| 12 | S | E | -0.2644 | Soluble |
| 13 | A | E | 0.0000 | Buried |
| 14 | S | E | -1.6404 | Soluble |
| 15 | P | E | -2.0047 | Soluble |
| 16 | G | E | -1.8288 | Soluble |
| 17 | E | E | -2.3013 | Soluble |
| 18 | K | E | -2.3566 | Soluble |
| 19 | V | E | -0.9963 | Soluble |
| 20 | T | E | -0.3928 | Soluble |
| 21 | M | E | 0.0000 | Buried |
| 22 | T | E | -0.2404 | Soluble |
| 23 | C | E | 0.0000 | Buried |
| 24 | S | E | -0.8231 | Soluble |
| 25 | A | E | 0.0000 | Buried |
| 26 | S | E | -1.3918 | Soluble |
| 27 | S | E | -1.3764 | Soluble |
| 28 | S | E | -1.0276 | Soluble |
| 29 | V | E | 0.0000 | Buried |
| 37 | S | E | 0.1812 | Aggregation-prone |
| 38 | Y | E | 0.9246 | Aggregation-prone |
| 39 | M | E | 0.0000 | Buried |
| 40 | H | E | 0.0000 | Buried |
| 41 | W | E | 0.0000 | Buried |
| 42 | Y | E | 0.0000 | Buried |
| 43 | Q | E | 0.0000 | Buried |
| 44 | Q | E | -0.9650 | Soluble |
| 45 | K | E | -1.1737 | Soluble |
| 46 | S | E | -1.2117 | Soluble |
| 47 | G | E | -0.9843 | Soluble |
| 48 | T | E | -0.6457 | Soluble |
| 49 | S | E | -0.4894 | Soluble |
| 50 | P | E | 0.0000 | Buried |
| 51 | K | E | -0.9654 | Soluble |
| 52 | R | E | -0.5430 | Soluble |
| 53 | W | E | 0.0000 | Buried |
| 54 | I | E | 0.0000 | Buried |
| 55 | Y | E | -0.1010 | Soluble |
| 56 | D | E | 0.0000 | Buried |
| 57 | T | E | -0.0239 | Soluble |
| 65 | S | E | -0.6155 | Soluble |
| 66 | K | E | -1.0405 | Soluble |
| 67 | L | E | -0.3291 | Soluble |
| 68 | A | E | -0.4561 | Soluble |
| 69 | S | E | -0.4573 | Soluble |
| 70 | G | E | -0.4722 | Soluble |
| 71 | V | E | -0.4381 | Soluble |
| 72 | P | E | -0.3898 | Soluble |
| 74 | G | E | -0.6470 | Soluble |
| 75 | R | E | -1.0542 | Soluble |
| 76 | F | E | 0.0000 | Buried |
| 77 | S | E | -0.6182 | Soluble |
| 78 | G | E | -0.4165 | Soluble |
| 79 | S | E | -0.5314 | Soluble |
| 80 | G | E | -0.5794 | Soluble |
| 83 | S | E | -0.6370 | Soluble |
| 84 | G | E | -0.9581 | Soluble |
| 85 | N | E | -1.1758 | Soluble |
| 86 | S | E | -0.8369 | Soluble |
| 87 | Y | E | 0.0000 | Buried |
| 88 | S | E | -0.3547 | Soluble |
| 89 | L | E | 0.0000 | Buried |
| 90 | T | E | -0.5383 | Soluble |
| 91 | I | E | 0.0000 | Buried |
| 92 | S | E | -1.5295 | Soluble |
| 93 | S | E | -1.8738 | Soluble |
| 94 | V | E | 0.0000 | Buried |
| 95 | E | E | -2.6237 | Soluble |
| 96 | A | E | -2.4164 | Soluble |
| 97 | E | E | -2.5100 | Soluble |
| 98 | D | E | 0.0000 | Buried |
| 99 | D | E | 0.0000 | Buried |
| 100 | A | E | 0.0000 | Buried |
| 101 | T | E | -0.5765 | Soluble |
| 102 | Y | E | 0.0000 | Buried |
| 103 | Y | E | 0.0000 | Buried |
| 104 | C | E | 0.0000 | Buried |
| 105 | Q | E | 0.0000 | Buried |
| 106 | Q | E | 0.0000 | Buried |
| 107 | W | E | -0.0826 | Soluble |
| 108 | S | E | -0.7514 | Soluble |
| 109 | K | E | -2.4075 | Soluble |
| 114 | H | E | -2.1708 | Soluble |
| 115 | P | E | 0.0000 | Buried |
| 116 | L | E | -0.9436 | Soluble |
| 117 | T | E | -1.0950 | Soluble |
| 118 | F | E | 0.0000 | Buried |
| 119 | G | E | 0.0000 | Buried |
| 120 | S | E | -0.9168 | Soluble |
| 121 | G | E | 0.0000 | Buried |
| 122 | T | E | 0.0000 | Buried |
| 123 | K | E | -0.3467 | Soluble |
| 124 | V | E | 0.0000 | Buried |
| 125 | E | E | -0.7802 | Soluble |
| 126 | I | E | 0.0000 | Buried |
| 127 | K | E | -1.4376 | Soluble |
| 128 | R | E | -1.0585 | Soluble |
| 129 | T | E | -0.0252 | Soluble |
| 130 | V | E | 0.6111 | Aggregation-prone |
| 131 | A | E | 0.1013 | Aggregation-prone |
| 132 | A | E | -0.0484 | Soluble |
| 133 | P | E | 0.0000 | Buried |
| 134 | S | E | -0.2314 | Soluble |
| 135 | V | E | 0.0000 | Buried |
| 136 | F | E | 0.0000 | Buried |
| 137 | I | E | 0.0000 | Buried |
| 138 | F | E | 0.0000 | Buried |
| 139 | P | E | -0.8065 | Soluble |
| 140 | P | E | -0.9190 | Soluble |
| 141 | S | E | -1.9158 | Soluble |
| 142 | D | E | -3.0723 | Soluble |
| 143 | E | E | -3.1882 | Soluble |
| 144 | Q | E | 0.0000 | Buried |
| 145 | L | E | -2.4049 | Soluble |
| 146 | K | E | -2.9590 | Soluble |
| 147 | S | E | -1.8047 | Soluble |
| 148 | G | E | -1.4011 | Soluble |
| 149 | T | E | -1.0671 | Soluble |
| 150 | A | E | 0.0000 | Buried |
| 151 | S | E | 0.0000 | Buried |
| 152 | V | E | 0.0000 | Buried |
| 153 | V | E | 0.0000 | Buried |
| 154 | C | E | 0.0000 | Buried |
| 155 | L | E | 0.0000 | Buried |
| 156 | L | E | 0.0000 | Buried |
| 157 | N | E | 0.0000 | Buried |
| 158 | N | E | -0.8382 | Soluble |
| 159 | F | E | 0.0000 | Buried |
| 160 | Y | E | 0.0000 | Buried |
| 161 | P | E | -1.2968 | Soluble |
| 162 | R | E | -2.2242 | Soluble |
| 163 | E | E | -2.8058 | Soluble |
| 164 | A | E | -2.1181 | Soluble |
| 165 | K | E | -2.5306 | Soluble |
| 166 | V | E | 0.0000 | Buried |
| 167 | Q | E | -1.0666 | Soluble |
| 168 | W | E | 0.0000 | Buried |
| 169 | K | E | -0.7850 | Soluble |
| 170 | V | E | 0.0000 | Buried |
| 171 | D | E | -2.1275 | Soluble |
| 172 | N | E | -1.6587 | Soluble |
| 173 | A | E | -0.4818 | Soluble |
| 174 | L | E | 0.2210 | Aggregation-prone |
| 175 | Q | E | -0.3435 | Soluble |
| 176 | S | E | -0.5343 | Soluble |
| 177 | G | E | -0.8578 | Soluble |
| 178 | N | E | -0.7727 | Soluble |
| 179 | S | E | -1.0050 | Soluble |
| 180 | Q | E | -1.0096 | Soluble |
| 181 | E | E | -1.5447 | Soluble |
| 182 | S | E | -0.7037 | Soluble |
| 183 | V | E | -0.7449 | Soluble |
| 184 | T | E | -0.9718 | Soluble |
| 185 | E | E | -1.9190 | Soluble |
| 186 | Q | E | 0.0000 | Buried |
| 187 | D | E | -2.0882 | Soluble |
| 188 | S | E | -2.3264 | Soluble |
| 189 | K | E | -2.7032 | Soluble |
| 190 | D | E | -1.8976 | Soluble |
| 191 | S | E | 0.0000 | Buried |
| 192 | T | E | 0.0000 | Buried |
| 193 | Y | E | 0.0000 | Buried |
| 194 | S | E | 0.0000 | Buried |
| 195 | L | E | 0.0000 | Buried |
| 196 | S | E | 0.0000 | Buried |
| 197 | S | E | 0.0000 | Buried |
| 198 | T | E | -0.4925 | Soluble |
| 199 | L | E | 0.0000 | Buried |
| 200 | T | E | -0.4148 | Soluble |
| 201 | L | E | -0.6511 | Soluble |
| 202 | S | E | -1.2677 | Soluble |
| 203 | K | E | -2.2211 | Soluble |
| 204 | A | E | -1.8804 | Soluble |
| 205 | D | E | -2.5286 | Soluble |
| 206 | Y | E | 0.0000 | Buried |
| 207 | E | E | -3.4172 | Soluble |
| 208 | K | E | -3.5648 | Soluble |
| 209 | H | E | -2.9735 | Soluble |
| 210 | K | E | -3.3239 | Soluble |
| 211 | V | E | -1.8014 | Soluble |
| 212 | Y | E | 0.0000 | Buried |
| 213 | A | E | 0.0000 | Buried |
| 214 | C | E | 0.0000 | Buried |
| 215 | E | E | -1.0376 | Soluble |
| 216 | V | E | 0.0000 | Buried |
| 217 | T | E | -1.2218 | Soluble |
| 218 | H | E | 0.0000 | Buried |
| 219 | Q | E | -1.6912 | Soluble |
| 220 | G | E | -0.4962 | Soluble |
| 221 | L | E | -0.2627 | Soluble |
| 222 | S | E | -0.4810 | Soluble |
| 223 | S | E | -0.4322 | Soluble |
| 224 | P | E | -0.4836 | Soluble |
| 225 | V | E | -0.0329 | Soluble |
| 226 | T | E | -0.4870 | Soluble |
| 227 | K | E | -0.8063 | Soluble |
| 228 | S | E | -0.8168 | Soluble |
| 229 | F | E | 0.0000 | Buried |
| 230 | N | E | -2.2987 | Soluble |
| 231 | R | E | -2.5074 | Soluble |
| 232 | G | E | -1.5585 | 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 | -0.8378 | 2.1593 | CSV PDB |
| 4.5 | -0.8761 | 2.1515 | CSV PDB |
| 5.0 | -0.9204 | 2.1434 | CSV PDB |
| 5.5 | -0.9593 | 2.1404 | CSV PDB |
| 6.0 | -0.9795 | 2.1523 | CSV PDB |
| 6.5 | -0.9714 | 2.1916 | CSV PDB |
| 7.0 | -0.9364 | 2.2606 | CSV PDB |
| 7.5 | -0.8843 | 2.3485 | CSV PDB |
| 8.0 | -0.8237 | 2.4446 | CSV PDB |
| 8.5 | -0.7577 | 2.5434 | CSV PDB |
| 9.0 | -0.6873 | 2.6427 | CSV PDB |