Calculation Parameters
| Chain Sequence(s) |
QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYWLHWVRQAPGQGLEWIGYINPRNDYTEYNQNFKDKATITADESTNTAYMELSSLRSEDTAFYFCARRDITTFYWGQGTTVTVSSASTKGPSVFPLAPSSKGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKDIQLTQSPSSLSASVGDRVTMSCKSSQSVLYSANHKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTLTISSLQPEDIATYYCHQYLSSWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKS
input.pdb
|
| Selected Chain(s) | A (Heavy), B (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 | A | -1.2722 | Soluble |
| 2 | V | A | -0.5009 | Soluble |
| 3 | Q | A | -0.7131 | Soluble |
| 4 | L | A | 0.0000 | Buried |
| 5 | V | A | 0.7556 | Aggregation-prone |
| 6 | Q | A | 0.0000 | Buried |
| 7 | S | A | -0.4054 | Soluble |
| 8 | G | A | -0.4374 | Soluble |
| 9 | A | A | -0.1548 | Soluble |
| 11 | E | A | -0.4510 | Soluble |
| 12 | V | A | 0.0286 | Aggregation-prone |
| 13 | K | A | -1.3288 | Soluble |
| 14 | K | A | -2.3102 | Soluble |
| 15 | P | A | -1.8470 | Soluble |
| 16 | G | A | -1.5174 | Soluble |
| 17 | S | A | -1.2994 | Soluble |
| 18 | S | A | -1.3556 | Soluble |
| 19 | V | A | 0.0000 | Buried |
| 20 | K | A | -1.8316 | Soluble |
| 21 | V | A | 0.0000 | Buried |
| 22 | S | A | -0.4038 | Soluble |
| 23 | C | A | 0.0000 | Buried |
| 24 | K | A | -0.5007 | Soluble |
| 25 | A | A | 0.0000 | Buried |
| 26 | S | A | -0.5740 | Soluble |
| 27 | G | A | -0.7084 | Soluble |
| 28 | Y | A | -0.2163 | Soluble |
| 29 | T | A | -0.2665 | Soluble |
| 30 | F | A | 0.0000 | Buried |
| 35 | T | A | 0.0000 | Buried |
| 36 | S | A | -0.3491 | Soluble |
| 37 | Y | A | 0.2841 | Aggregation-prone |
| 38 | W | A | 0.0582 | Aggregation-prone |
| 39 | L | A | 0.0000 | Buried |
| 40 | H | A | 0.0000 | Buried |
| 41 | W | A | 0.0000 | Buried |
| 42 | V | A | 0.0000 | Buried |
| 43 | R | A | -0.6288 | Soluble |
| 44 | Q | A | -0.7721 | Soluble |
| 45 | A | A | -1.1264 | Soluble |
| 46 | P | A | -1.0393 | Soluble |
| 47 | G | A | -1.2442 | Soluble |
| 48 | Q | A | -1.8238 | Soluble |
| 49 | G | A | -1.2518 | Soluble |
| 50 | L | A | 0.0000 | Buried |
| 51 | E | A | -1.3172 | Soluble |
| 52 | W | A | 0.0000 | Buried |
| 53 | I | A | 0.0000 | Buried |
| 54 | G | A | 0.0000 | Buried |
| 55 | Y | A | 0.0000 | Buried |
| 56 | I | A | 0.0000 | Buried |
| 57 | N | A | -1.2787 | Soluble |
| 58 | P | A | 0.0000 | Buried |
| 59 | R | A | -3.1284 | Soluble |
| 62 | N | A | -2.7079 | Soluble |
| 63 | D | A | -2.7602 | Soluble |
| 64 | Y | A | -0.6207 | Soluble |
| 65 | T | A | -0.4564 | Soluble |
| 66 | E | A | -1.1240 | Soluble |
| 67 | Y | A | -1.4960 | Soluble |
| 68 | N | A | -2.0058 | Soluble |
| 69 | Q | A | -2.9386 | Soluble |
| 70 | N | A | -2.7490 | Soluble |
| 71 | F | A | 0.0000 | Buried |
| 72 | K | A | -3.4883 | Soluble |
| 74 | D | A | -3.2094 | Soluble |
| 75 | K | A | -2.1551 | Soluble |
| 76 | A | A | 0.0000 | Buried |
| 77 | T | A | -1.2112 | Soluble |
| 78 | I | A | 0.0000 | Buried |
| 79 | T | A | -0.6408 | Soluble |
| 80 | A | A | -1.6254 | Soluble |
| 81 | D | A | -2.2691 | Soluble |
| 82 | E | A | -2.9711 | Soluble |
| 83 | S | A | -1.4804 | Soluble |
| 84 | T | A | -1.3104 | Soluble |
| 85 | N | A | -1.6772 | Soluble |
| 86 | T | A | -1.0223 | Soluble |
| 87 | A | A | 0.0000 | Buried |
| 88 | Y | A | -0.5504 | Soluble |
| 89 | M | A | 0.0000 | Buried |
| 90 | E | A | -1.5054 | Soluble |
| 91 | L | A | 0.0000 | Buried |
| 92 | S | A | -1.3662 | Soluble |
| 93 | S | A | -1.3487 | Soluble |
| 94 | L | A | 0.0000 | Buried |
| 95 | R | A | -2.8200 | Soluble |
| 96 | S | A | -2.0911 | Soluble |
| 97 | E | A | -2.4736 | Soluble |
| 98 | D | A | 0.0000 | Buried |
| 99 | T | A | -0.8466 | Soluble |
| 100 | A | A | 0.0000 | Buried |
| 101 | F | A | 0.2376 | Aggregation-prone |
| 102 | Y | A | 0.0000 | Buried |
| 103 | F | A | 0.0000 | Buried |
| 104 | C | A | 0.0000 | Buried |
| 105 | A | A | 0.0000 | Buried |
| 106 | R | A | 0.0000 | Buried |
| 107 | R | A | 0.2028 | Aggregation-prone |
| 108 | D | A | 0.6049 | Aggregation-prone |
| 109 | I | A | 1.7524 | Aggregation-prone |
| 114 | T | A | 0.6696 | Aggregation-prone |
| 115 | T | A | 0.3547 | Aggregation-prone |
| 116 | F | A | 0.0000 | Buried |
| 117 | Y | A | -0.1651 | Soluble |
| 118 | W | A | -0.0984 | Soluble |
| 119 | G | A | 0.0000 | Buried |
| 120 | Q | A | -0.8785 | Soluble |
| 121 | G | A | -0.4351 | Soluble |
| 122 | T | A | 0.0000 | Buried |
| 123 | T | A | 0.1475 | Aggregation-prone |
| 124 | V | A | 0.0000 | Buried |
| 125 | T | A | 0.0000 | Buried |
| 126 | V | A | 0.0000 | Buried |
| 127 | S | A | 0.0000 | Buried |
| 128 | S | A | -1.0354 | Soluble |
| 129 | A | A | -0.6078 | Soluble |
| 130 | S | A | -0.5473 | Soluble |
| 131 | T | A | -0.6868 | Soluble |
| 132 | K | A | -1.1590 | Soluble |
| 133 | G | A | -1.4358 | Soluble |
| 134 | P | A | -0.7005 | Soluble |
| 135 | S | A | -0.3397 | Soluble |
| 136 | V | A | 0.0000 | Buried |
| 137 | F | A | -0.6283 | Soluble |
| 138 | P | A | -1.1013 | Soluble |
| 139 | L | A | 0.0000 | Buried |
| 140 | A | A | -1.1814 | Soluble |
| 141 | P | A | 0.0000 | Buried |
| 142 | S | A | -1.3707 | Soluble |
| 143 | S | A | -1.1807 | Soluble |
| 144 | K | A | -1.9609 | Soluble |
| 145 | G | A | -0.8130 | Soluble |
| 146 | G | A | -0.8846 | Soluble |
| 147 | T | A | -0.5955 | Soluble |
| 148 | A | A | 0.0000 | Buried |
| 149 | A | A | 0.0000 | Buried |
| 150 | L | A | 0.0000 | Buried |
| 151 | G | A | 0.0000 | Buried |
| 152 | C | A | 0.0000 | Buried |
| 153 | L | A | 0.0000 | Buried |
| 154 | V | A | 0.0000 | Buried |
| 155 | K | A | 0.0000 | Buried |
| 156 | D | A | -0.5399 | Soluble |
| 157 | Y | A | 0.0000 | Buried |
| 158 | F | A | 0.0000 | Buried |
| 159 | P | A | -0.7668 | Soluble |
| 160 | E | A | -1.1243 | Soluble |
| 161 | P | A | -1.1959 | Soluble |
| 162 | V | A | 0.0000 | Buried |
| 163 | T | A | -0.9461 | Soluble |
| 164 | V | A | -0.5102 | Soluble |
| 165 | S | A | -0.4353 | Soluble |
| 166 | W | A | 0.0000 | Buried |
| 167 | N | A | -0.9719 | Soluble |
| 168 | S | A | -0.5921 | Soluble |
| 169 | G | A | -0.4558 | Soluble |
| 170 | A | A | -0.2077 | Soluble |
| 171 | L | A | 0.0024 | Aggregation-prone |
| 172 | T | A | -0.1351 | Soluble |
| 173 | S | A | -0.1300 | Soluble |
| 174 | G | A | -0.1535 | Soluble |
| 175 | V | A | 0.1963 | Aggregation-prone |
| 176 | H | A | -0.2386 | Soluble |
| 177 | T | A | 0.0403 | Aggregation-prone |
| 178 | F | A | 0.0000 | Buried |
| 179 | P | A | -0.4342 | Soluble |
| 180 | A | A | -0.2566 | Soluble |
| 181 | V | A | -0.1280 | Soluble |
| 182 | L | A | 0.1388 | Aggregation-prone |
| 183 | Q | A | -0.3537 | Soluble |
| 184 | S | A | -0.4519 | Soluble |
| 185 | S | A | -0.3369 | Soluble |
| 186 | G | A | 0.0000 | Buried |
| 187 | L | A | -0.2653 | Soluble |
| 188 | Y | A | 0.0000 | Buried |
| 189 | S | A | 0.0000 | Buried |
| 190 | L | A | 0.0000 | Buried |
| 191 | S | A | 0.0000 | Buried |
| 192 | S | A | 0.0000 | Buried |
| 193 | V | A | 0.0000 | Buried |
| 194 | V | A | 0.0000 | Buried |
| 195 | T | A | -0.1250 | Soluble |
| 196 | V | A | 0.0000 | Buried |
| 197 | P | A | -0.5535 | Soluble |
| 198 | S | A | -0.6119 | Soluble |
| 199 | S | A | -0.4994 | Soluble |
| 200 | S | A | -0.5716 | Soluble |
| 201 | L | A | -0.6491 | Soluble |
| 202 | G | A | -1.3003 | Soluble |
| 203 | T | A | -1.0534 | Soluble |
| 204 | Q | A | -1.3017 | Soluble |
| 205 | T | A | -1.5356 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | I | A | -1.4802 | Soluble |
| 208 | C | A | 0.0000 | Buried |
| 209 | N | A | -1.4987 | Soluble |
| 210 | V | A | 0.0000 | Buried |
| 211 | N | A | -2.6018 | Soluble |
| 212 | H | A | 0.0000 | Buried |
| 213 | K | A | -3.0154 | Soluble |
| 214 | P | A | -1.8079 | Soluble |
| 215 | S | A | -1.9161 | Soluble |
| 216 | N | A | -2.7235 | Soluble |
| 217 | T | A | -2.2853 | Soluble |
| 218 | K | A | -2.8141 | Soluble |
| 219 | V | A | -1.5403 | Soluble |
| 220 | D | A | -2.1818 | Soluble |
| 221 | K | A | -2.1035 | Soluble |
| 222 | R | A | -2.8052 | Soluble |
| 223 | V | A | 0.0000 | Buried |
| 224 | E | A | -3.0021 | Soluble |
| 225 | P | A | -2.1420 | Soluble |
| 226 | K | A | -2.3772 | Soluble |
| 1 | D | B | -2.2487 | Soluble |
| 2 | I | B | -1.3382 | Soluble |
| 3 | Q | B | -1.9218 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | T | B | -1.1330 | Soluble |
| 6 | Q | B | 0.0000 | Buried |
| 7 | S | B | -0.6879 | Soluble |
| 8 | P | B | -0.5011 | Soluble |
| 9 | S | B | -0.6861 | Soluble |
| 10 | S | B | -0.5941 | Soluble |
| 11 | L | B | -0.3826 | Soluble |
| 12 | S | B | -0.5093 | Soluble |
| 13 | A | B | -0.8327 | Soluble |
| 14 | S | B | -0.7055 | Soluble |
| 15 | V | B | -0.0473 | Soluble |
| 16 | G | B | -0.8500 | Soluble |
| 17 | D | B | -1.7739 | Soluble |
| 18 | R | B | -2.4122 | Soluble |
| 19 | V | B | 0.0000 | Buried |
| 20 | T | B | -0.6063 | Soluble |
| 21 | M | B | 0.0000 | Buried |
| 22 | S | B | -0.8035 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | K | B | -2.3406 | Soluble |
| 25 | S | B | 0.0000 | Buried |
| 26 | S | B | -1.5231 | Soluble |
| 27 | Q | B | -1.3844 | Soluble |
| 28 | S | B | -0.5434 | Soluble |
| 29 | V | B | 0.0000 | Buried |
| 30 | L | B | 0.1264 | Aggregation-prone |
| 31 | Y | B | 0.3804 | Aggregation-prone |
| 32 | S | B | -0.2517 | Soluble |
| 33 | A | B | -0.4910 | Soluble |
| 34 | N | B | -1.2020 | Soluble |
| 35 | H | B | -1.3444 | Soluble |
| 36 | K | B | -1.0995 | Soluble |
| 37 | N | B | 0.0000 | Buried |
| 38 | Y | B | 0.0000 | Buried |
| 39 | L | B | 0.0000 | Buried |
| 40 | A | B | 0.0000 | Buried |
| 41 | W | B | 0.0000 | Buried |
| 42 | Y | B | 0.0000 | Buried |
| 43 | Q | B | 0.0000 | Buried |
| 44 | Q | B | 0.0000 | Buried |
| 45 | K | B | -1.3229 | Soluble |
| 46 | P | B | -1.3396 | Soluble |
| 47 | G | B | -1.2819 | Soluble |
| 48 | K | B | -1.8957 | Soluble |
| 49 | A | B | -1.2413 | Soluble |
| 50 | P | B | 0.0000 | Buried |
| 51 | K | B | -1.2976 | Soluble |
| 52 | L | B | -0.5341 | Soluble |
| 53 | L | B | 0.0000 | Buried |
| 54 | I | B | 0.0000 | Buried |
| 55 | Y | B | 0.0299 | Aggregation-prone |
| 56 | W | B | -0.1325 | Soluble |
| 57 | A | B | 0.0000 | Buried |
| 65 | S | B | -0.6524 | Soluble |
| 66 | T | B | -0.5965 | Soluble |
| 67 | R | B | -1.0986 | Soluble |
| 68 | E | B | -0.8654 | Soluble |
| 69 | S | B | -0.7240 | Soluble |
| 70 | G | B | -0.7318 | Soluble |
| 71 | V | B | -0.6500 | Soluble |
| 72 | P | B | -0.5809 | Soluble |
| 74 | S | B | -0.6339 | Soluble |
| 75 | R | B | -0.8049 | Soluble |
| 76 | F | B | 0.0000 | Buried |
| 77 | S | B | -0.5687 | Soluble |
| 78 | G | B | 0.0000 | Buried |
| 79 | S | B | -0.6493 | Soluble |
| 80 | G | B | -1.0317 | Soluble |
| 83 | S | B | -0.9419 | Soluble |
| 84 | G | B | -0.8701 | Soluble |
| 85 | T | B | -1.4040 | Soluble |
| 86 | D | B | -2.1447 | Soluble |
| 87 | F | B | 0.0000 | Buried |
| 88 | T | B | -0.7410 | Soluble |
| 89 | L | B | 0.0000 | Buried |
| 90 | T | B | -0.6141 | Soluble |
| 91 | I | B | 0.0000 | Buried |
| 92 | S | B | -1.4826 | Soluble |
| 93 | S | B | -1.2778 | Soluble |
| 94 | L | B | 0.0000 | Buried |
| 95 | Q | B | -1.0357 | Soluble |
| 96 | P | B | -0.8749 | Soluble |
| 97 | E | B | -1.7833 | Soluble |
| 98 | D | B | 0.0000 | Buried |
| 99 | I | B | -0.3216 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | T | B | -0.5850 | Soluble |
| 102 | Y | B | 0.0000 | Buried |
| 103 | Y | B | 0.0000 | Buried |
| 104 | C | B | 0.0000 | Buried |
| 105 | H | B | 0.0000 | Buried |
| 106 | Q | B | 0.0000 | Buried |
| 107 | Y | B | 0.0000 | Buried |
| 108 | L | B | 0.5274 | Aggregation-prone |
| 114 | S | B | -0.0319 | Soluble |
| 115 | S | B | -0.2938 | Soluble |
| 116 | W | B | 0.0000 | Buried |
| 117 | T | B | -0.6612 | Soluble |
| 118 | F | B | -0.3769 | Soluble |
| 119 | G | B | 0.0000 | Buried |
| 120 | G | B | -1.1082 | Soluble |
| 121 | G | B | 0.0000 | Buried |
| 122 | T | B | 0.0000 | Buried |
| 123 | K | B | -1.0777 | Soluble |
| 124 | L | B | 0.0000 | Buried |
| 125 | E | B | 0.0000 | Buried |
| 126 | I | B | -0.4331 | Soluble |
| 127 | K | B | -1.2165 | Soluble |
| 128 | R | B | -1.0331 | Soluble |
| 129 | T | B | -0.2540 | Soluble |
| 130 | V | B | 0.2552 | Aggregation-prone |
| 131 | A | B | 0.0522 | Aggregation-prone |
| 132 | A | B | -0.1734 | Soluble |
| 133 | P | B | 0.0000 | Buried |
| 134 | S | B | -0.1131 | Soluble |
| 135 | V | B | 0.0000 | Buried |
| 136 | F | B | -0.2704 | Soluble |
| 137 | I | B | 0.0000 | Buried |
| 138 | F | B | 0.0000 | Buried |
| 139 | P | B | -0.5005 | Soluble |
| 140 | P | B | -0.6504 | Soluble |
| 141 | S | B | -1.6502 | Soluble |
| 142 | D | B | -2.7111 | Soluble |
| 143 | E | B | -2.4927 | Soluble |
| 144 | Q | B | 0.0000 | Buried |
| 145 | L | B | -1.8838 | Soluble |
| 146 | K | B | -2.6500 | Soluble |
| 147 | S | B | -1.6490 | Soluble |
| 148 | G | B | -1.1372 | Soluble |
| 149 | T | B | -0.8631 | Soluble |
| 150 | A | B | 0.0000 | Buried |
| 151 | S | B | 0.0000 | Buried |
| 152 | V | B | 0.0000 | Buried |
| 153 | V | B | 0.0000 | Buried |
| 154 | C | B | 0.0000 | Buried |
| 155 | L | B | 0.0000 | Buried |
| 156 | L | B | 0.0000 | Buried |
| 157 | N | B | 0.0000 | Buried |
| 158 | N | B | -0.7798 | Soluble |
| 159 | F | B | 0.0000 | Buried |
| 160 | Y | B | 0.0000 | Buried |
| 161 | P | B | -1.1791 | Soluble |
| 162 | R | B | -1.7524 | Soluble |
| 163 | E | B | -2.6035 | Soluble |
| 164 | A | B | -2.0219 | Soluble |
| 165 | K | B | -2.1846 | Soluble |
| 166 | V | B | -1.1887 | Soluble |
| 167 | Q | B | -0.4265 | Soluble |
| 168 | W | B | 0.0000 | Buried |
| 169 | K | B | -0.1256 | Soluble |
| 170 | V | B | 0.0000 | Buried |
| 171 | D | B | -1.2632 | Soluble |
| 172 | N | B | -1.1924 | Soluble |
| 173 | A | B | -0.0207 | Soluble |
| 174 | L | B | 0.8081 | Aggregation-prone |
| 175 | Q | B | -0.2415 | Soluble |
| 176 | S | B | -0.6949 | Soluble |
| 177 | G | B | -1.3626 | Soluble |
| 178 | N | B | -1.8022 | Soluble |
| 179 | S | B | -1.6383 | Soluble |
| 180 | Q | B | -1.8765 | Soluble |
| 181 | E | B | -1.9902 | Soluble |
| 182 | S | B | -0.7618 | Soluble |
| 183 | V | B | -0.3625 | Soluble |
| 184 | T | B | -0.8711 | Soluble |
| 185 | E | B | -2.0724 | Soluble |
| 186 | Q | B | -1.6994 | Soluble |
| 187 | D | B | -2.1199 | Soluble |
| 188 | S | B | -1.8689 | Soluble |
| 189 | K | B | -2.4378 | Soluble |
| 190 | D | B | -2.0758 | Soluble |
| 191 | S | B | -1.9335 | Soluble |
| 192 | T | B | 0.0000 | Buried |
| 193 | Y | B | 0.0000 | Buried |
| 194 | S | B | 0.0000 | Buried |
| 195 | L | B | 0.0000 | Buried |
| 196 | S | B | 0.0000 | Buried |
| 197 | S | B | 0.0000 | Buried |
| 198 | T | B | -0.8710 | Soluble |
| 199 | L | B | 0.0000 | Buried |
| 200 | T | B | -0.6622 | Soluble |
| 201 | L | B | -0.7683 | Soluble |
| 202 | S | B | -1.1448 | Soluble |
| 203 | K | B | -1.9471 | Soluble |
| 204 | A | B | -1.8871 | Soluble |
| 205 | D | B | -2.3313 | Soluble |
| 206 | Y | B | -2.1670 | Soluble |
| 207 | E | B | -3.4648 | Soluble |
| 208 | K | B | -3.5571 | Soluble |
| 209 | H | B | -2.6985 | Soluble |
| 210 | K | B | -2.2439 | Soluble |
| 211 | V | B | -0.1874 | Soluble |
| 212 | Y | B | -0.3589 | Soluble |
| 213 | A | B | 0.0000 | Buried |
| 214 | C | B | 0.0000 | Buried |
| 215 | E | B | -0.8186 | Soluble |
| 216 | V | B | 0.0000 | Buried |
| 217 | T | B | -1.2211 | Soluble |
| 218 | H | B | 0.0000 | Buried |
| 219 | Q | B | -1.5070 | Soluble |
| 220 | G | B | -0.5119 | Soluble |
| 221 | L | B | -0.2829 | Soluble |
| 222 | S | B | -0.4654 | Soluble |
| 223 | S | B | -0.4121 | Soluble |
| 224 | P | B | -0.5700 | Soluble |
| 225 | V | B | -0.0689 | Soluble |
| 226 | T | B | -0.5269 | Soluble |
| 227 | K | B | -1.1080 | Soluble |
| 228 | S | B | -0.6082 | 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 | -0.7741 | 2.6553 | CSV PDB |
| 4.5 | -0.817 | 2.6204 | CSV PDB |
| 5.0 | -0.8686 | 2.585 | CSV PDB |
| 5.5 | -0.9175 | 2.5494 | CSV PDB |
| 6.0 | -0.9513 | 2.514 | CSV PDB |
| 6.5 | -0.9612 | 2.479 | CSV PDB |
| 7.0 | -0.9467 | 2.4456 | CSV PDB |
| 7.5 | -0.9151 | 2.4163 | CSV PDB |
| 8.0 | -0.8739 | 2.3949 | CSV PDB |
| 8.5 | -0.8261 | 2.3831 | CSV PDB |
| 9.0 | -0.7726 | 2.3782 | CSV PDB |