Calculation Parameters
| Chain Sequence(s) |
QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARDHGSRHFWSYWGFDYWGQGTLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPDIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
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 | -1.4563 | Soluble |
| 2 | V | B | -0.8659 | Soluble |
| 3 | Q | B | -1.2286 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | V | B | -0.2040 | Soluble |
| 6 | Q | B | 0.0000 | Buried |
| 7 | S | B | -0.6547 | Soluble |
| 8 | G | B | -0.5920 | Soluble |
| 9 | A | B | -0.1229 | Soluble |
| 11 | E | B | -0.3344 | Soluble |
| 12 | V | B | 0.1915 | Aggregation-prone |
| 13 | K | B | -1.2438 | Soluble |
| 14 | K | B | -2.2954 | Soluble |
| 15 | P | B | -2.5782 | Soluble |
| 16 | G | B | -2.2224 | Soluble |
| 17 | A | B | -1.5487 | Soluble |
| 18 | S | B | -1.7278 | Soluble |
| 19 | V | B | 0.0000 | Buried |
| 20 | K | B | -2.1306 | Soluble |
| 21 | V | B | 0.0000 | Buried |
| 22 | S | B | -0.7880 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | K | B | -0.6230 | Soluble |
| 25 | A | B | 0.0000 | Buried |
| 26 | S | B | -0.6310 | Soluble |
| 27 | G | B | -0.9907 | Soluble |
| 28 | Y | B | -0.3583 | Soluble |
| 29 | T | B | -0.0784 | Soluble |
| 30 | F | B | 0.0000 | Buried |
| 35 | T | B | -0.6566 | Soluble |
| 36 | G | B | -0.6370 | Soluble |
| 37 | Y | B | -0.3849 | Soluble |
| 38 | Y | B | -0.2855 | Soluble |
| 39 | M | 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 | -0.5121 | Soluble |
| 45 | A | B | -0.9314 | Soluble |
| 46 | P | B | -0.8319 | Soluble |
| 47 | G | B | -1.2864 | Soluble |
| 48 | Q | B | -1.8254 | Soluble |
| 49 | G | B | -1.2902 | Soluble |
| 50 | L | B | -0.6640 | Soluble |
| 51 | E | B | -0.5489 | Soluble |
| 52 | W | B | 0.0000 | Buried |
| 53 | M | B | 0.0000 | Buried |
| 54 | G | B | 0.0000 | Buried |
| 55 | W | B | 0.0165 | Aggregation-prone |
| 56 | I | B | 0.0000 | Buried |
| 57 | N | B | -0.8728 | Soluble |
| 58 | P | B | 0.0000 | Buried |
| 59 | N | B | -1.6594 | Soluble |
| 62 | S | B | -1.1605 | Soluble |
| 63 | G | B | -1.0749 | Soluble |
| 64 | G | B | -0.8189 | Soluble |
| 65 | T | B | -0.3252 | Soluble |
| 66 | N | B | -0.5497 | Soluble |
| 67 | Y | B | -0.9510 | Soluble |
| 68 | A | B | 0.0000 | Buried |
| 69 | Q | B | -2.5161 | Soluble |
| 70 | K | B | -2.6990 | Soluble |
| 71 | F | B | 0.0000 | Buried |
| 72 | Q | B | -2.4138 | Soluble |
| 74 | G | B | -1.8074 | Soluble |
| 75 | R | B | -1.7001 | Soluble |
| 76 | V | B | 0.0000 | Buried |
| 77 | T | B | -0.8518 | Soluble |
| 78 | M | B | 0.0000 | Buried |
| 79 | T | B | -0.6488 | Soluble |
| 80 | R | B | -1.0117 | Soluble |
| 81 | D | B | -0.7380 | Soluble |
| 82 | T | B | -0.3297 | Soluble |
| 83 | S | B | 0.2425 | Aggregation-prone |
| 84 | I | B | 0.9727 | Aggregation-prone |
| 85 | S | B | 0.0668 | Aggregation-prone |
| 86 | T | B | 0.0000 | Buried |
| 87 | A | B | 0.0000 | Buried |
| 88 | Y | B | -0.8423 | Soluble |
| 89 | M | B | 0.0000 | Buried |
| 90 | E | B | -1.9327 | Soluble |
| 91 | L | B | 0.0000 | Buried |
| 92 | S | B | -1.9677 | Soluble |
| 93 | R | B | -2.7177 | Soluble |
| 94 | L | B | 0.0000 | Buried |
| 95 | R | B | -3.4605 | Soluble |
| 96 | S | B | -2.3970 | Soluble |
| 97 | D | B | -2.5050 | Soluble |
| 98 | D | B | 0.0000 | Buried |
| 99 | T | B | -0.8198 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | V | B | 0.2976 | 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 | D | B | 0.0000 | Buried |
| 108 | H | B | -0.3307 | Soluble |
| 109 | G | B | -0.2833 | Soluble |
| 110 | S | B | -0.7419 | Soluble |
| 111 | R | B | -1.1168 | Soluble |
| 111A | H | B | 0.2656 | Aggregation-prone |
| 111B | F | B | 1.9124 | Aggregation-prone |
| 112B | W | B | 1.5933 | Aggregation-prone |
| 112A | S | B | 0.0000 | Buried |
| 112 | Y | B | 1.0895 | Aggregation-prone |
| 113 | W | B | 0.7195 | Aggregation-prone |
| 114 | G | B | 0.0000 | Buried |
| 115 | F | B | 0.0000 | Buried |
| 116 | D | B | -0.3712 | Soluble |
| 117 | Y | B | -0.0208 | Soluble |
| 118 | W | B | -0.3781 | Soluble |
| 119 | G | B | 0.0000 | Buried |
| 120 | Q | B | -1.3909 | Soluble |
| 121 | G | B | -0.7234 | Soluble |
| 122 | T | B | 0.0000 | Buried |
| 123 | L | B | 0.2142 | Aggregation-prone |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | 0.0000 | Buried |
| 126 | V | B | 0.0000 | Buried |
| 127 | S | B | -1.3276 | Soluble |
| 128 | S | B | -1.2482 | Soluble |
| 129 | A | B | -0.7354 | Soluble |
| 130 | S | B | -0.6854 | Soluble |
| 131 | T | B | -0.5713 | Soluble |
| 132 | K | B | -1.2088 | Soluble |
| 133 | G | B | -1.3452 | Soluble |
| 134 | P | B | 0.0000 | Buried |
| 135 | S | B | -0.4065 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | 0.0000 | Buried |
| 138 | P | B | -1.2233 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | -0.8764 | Soluble |
| 141 | P | B | -0.4847 | Soluble |
| 142 | T | B | -0.2509 | Soluble |
| 143 | A | B | 0.0000 | Buried |
| 144 | A | B | 0.0000 | Buried |
| 145 | L | B | 0.0000 | Buried |
| 146 | G | B | 0.0000 | Buried |
| 147 | C | B | 0.0000 | Buried |
| 148 | L | B | 0.0000 | Buried |
| 149 | V | B | 0.0000 | Buried |
| 150 | K | B | 0.0000 | Buried |
| 151 | D | B | -0.6463 | Soluble |
| 152 | Y | B | 0.0000 | Buried |
| 153 | F | B | 0.0000 | Buried |
| 154 | P | B | 0.0000 | Buried |
| 155 | E | B | -0.8776 | Soluble |
| 156 | P | B | -0.9739 | Soluble |
| 157 | V | B | -0.8146 | Soluble |
| 158 | T | B | -0.6380 | Soluble |
| 159 | V | B | -0.2243 | Soluble |
| 160 | S | B | -0.3776 | Soluble |
| 161 | W | B | 0.0000 | Buried |
| 162 | N | B | -0.7586 | Soluble |
| 163 | S | B | -0.6296 | Soluble |
| 164 | G | B | -0.4066 | Soluble |
| 165 | A | B | -0.1780 | Soluble |
| 166 | L | B | -0.0116 | Soluble |
| 167 | T | B | -0.1803 | Soluble |
| 168 | S | B | -0.2430 | Soluble |
| 169 | G | B | -0.3428 | Soluble |
| 170 | V | B | 0.0871 | Aggregation-prone |
| 171 | H | B | -0.2324 | Soluble |
| 172 | T | B | -0.0301 | Soluble |
| 173 | F | B | 0.0000 | Buried |
| 174 | P | B | -0.3089 | Soluble |
| 175 | A | B | 0.0888 | Aggregation-prone |
| 176 | V | B | 0.3390 | Aggregation-prone |
| 177 | L | B | 0.9312 | Aggregation-prone |
| 178 | Q | B | 0.0953 | Aggregation-prone |
| 179 | S | B | -0.1107 | Soluble |
| 180 | S | B | -0.2759 | Soluble |
| 181 | G | B | -0.0853 | Soluble |
| 182 | L | B | -0.1146 | Soluble |
| 183 | Y | B | 0.0000 | Buried |
| 184 | S | B | 0.0000 | Buried |
| 185 | L | B | 0.0000 | Buried |
| 186 | S | B | 0.0000 | Buried |
| 187 | S | B | 0.0000 | Buried |
| 188 | V | B | 0.0000 | Buried |
| 189 | V | B | 0.0000 | Buried |
| 190 | T | B | -0.1790 | Soluble |
| 191 | V | B | 0.0000 | Buried |
| 192 | P | B | -0.3853 | Soluble |
| 193 | S | B | -0.4483 | Soluble |
| 194 | S | B | -0.5499 | Soluble |
| 195 | S | B | -0.6469 | Soluble |
| 196 | L | B | -0.7841 | Soluble |
| 197 | G | B | -1.1695 | Soluble |
| 198 | T | B | -0.8512 | Soluble |
| 199 | Q | B | -1.4774 | Soluble |
| 200 | T | B | -1.3486 | Soluble |
| 201 | Y | B | 0.0000 | Buried |
| 202 | I | B | -1.5162 | Soluble |
| 203 | C | B | 0.0000 | Buried |
| 204 | N | B | -1.4988 | Soluble |
| 205 | V | B | 0.0000 | Buried |
| 206 | N | B | -1.9703 | Soluble |
| 207 | H | B | 0.0000 | Buried |
| 208 | K | B | -2.7682 | Soluble |
| 209 | P | B | -1.5503 | Soluble |
| 210 | S | B | -1.7915 | Soluble |
| 211 | N | B | -2.5182 | Soluble |
| 212 | T | B | -2.0224 | Soluble |
| 213 | K | B | -2.6464 | Soluble |
| 214 | V | B | -1.5181 | Soluble |
| 215 | D | B | -2.5447 | Soluble |
| 216 | K | B | -2.0467 | Soluble |
| 217 | R | B | -2.8146 | Soluble |
| 218 | V | B | 0.0000 | Buried |
| 219 | E | B | -2.6199 | Soluble |
| 220 | P | B | -1.4114 | Soluble |
| 1 | D | A | -2.2971 | Soluble |
| 2 | I | A | 0.0000 | Buried |
| 3 | Q | A | -2.2839 | Soluble |
| 4 | M | A | 0.0000 | Buried |
| 5 | T | A | -1.4159 | Soluble |
| 6 | Q | A | 0.0000 | Buried |
| 7 | S | A | -0.7293 | Soluble |
| 8 | P | A | -0.7066 | Soluble |
| 9 | S | A | -1.0104 | Soluble |
| 10 | S | A | -1.0033 | Soluble |
| 11 | L | A | -0.8103 | Soluble |
| 12 | S | A | -1.0686 | Soluble |
| 13 | A | A | 0.0000 | Buried |
| 14 | S | A | -0.5428 | Soluble |
| 15 | V | A | 0.3549 | Aggregation-prone |
| 16 | G | A | -0.6785 | Soluble |
| 17 | D | A | -1.5070 | Soluble |
| 18 | R | A | -2.2581 | Soluble |
| 19 | V | A | 0.0000 | Buried |
| 20 | T | A | -0.5643 | Soluble |
| 21 | I | A | 0.0000 | Buried |
| 22 | T | A | -0.7892 | Soluble |
| 23 | C | A | 0.0000 | Buried |
| 24 | R | A | -2.3803 | Soluble |
| 25 | A | A | 0.0000 | Buried |
| 26 | S | A | -1.8391 | Soluble |
| 27 | Q | A | -1.8034 | Soluble |
| 28 | S | A | -0.9894 | Soluble |
| 29 | I | A | 0.0000 | Buried |
| 36 | S | A | -0.1915 | Soluble |
| 37 | S | A | 0.0229 | Aggregation-prone |
| 38 | Y | A | 0.6068 | Aggregation-prone |
| 39 | L | A | 0.0000 | Buried |
| 40 | N | 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 | -1.6709 | Soluble |
| 46 | P | A | -1.4861 | Soluble |
| 47 | G | A | -1.7367 | Soluble |
| 48 | K | A | -2.5563 | Soluble |
| 49 | A | A | -1.5481 | Soluble |
| 50 | P | A | 0.0000 | Buried |
| 51 | K | A | -1.6593 | Soluble |
| 52 | L | A | 0.0000 | Buried |
| 53 | L | A | 0.0000 | Buried |
| 54 | I | A | 0.0000 | Buried |
| 55 | Y | A | 0.3225 | Aggregation-prone |
| 56 | A | A | 0.2038 | Aggregation-prone |
| 57 | A | A | 0.0000 | Buried |
| 65 | S | A | -0.2350 | Soluble |
| 66 | S | A | 0.0546 | Aggregation-prone |
| 67 | L | A | 0.2567 | Aggregation-prone |
| 68 | Q | A | -0.3196 | Soluble |
| 69 | S | A | -0.4232 | Soluble |
| 70 | G | A | -0.5035 | Soluble |
| 71 | V | A | -0.3947 | Soluble |
| 72 | P | A | -0.3712 | Soluble |
| 74 | S | A | -0.4831 | Soluble |
| 75 | R | A | -0.8526 | Soluble |
| 76 | F | A | 0.0000 | Buried |
| 77 | S | A | -0.2993 | Soluble |
| 78 | G | A | -0.2869 | Soluble |
| 79 | S | A | -0.6933 | Soluble |
| 80 | G | A | -0.9037 | Soluble |
| 83 | S | A | -0.8091 | Soluble |
| 84 | G | A | -1.0435 | Soluble |
| 85 | T | A | -1.5694 | Soluble |
| 86 | D | A | -2.0251 | Soluble |
| 87 | F | A | 0.0000 | Buried |
| 88 | T | A | -0.7345 | Soluble |
| 89 | L | A | 0.0000 | Buried |
| 90 | T | A | -0.5913 | Soluble |
| 91 | I | A | 0.0000 | Buried |
| 92 | S | A | -1.3651 | Soluble |
| 93 | S | A | -1.1157 | Soluble |
| 94 | L | A | 0.0000 | Buried |
| 95 | Q | A | -0.9068 | Soluble |
| 96 | P | A | -0.9266 | Soluble |
| 97 | E | A | -1.9128 | Soluble |
| 98 | D | A | 0.0000 | Buried |
| 99 | F | A | -0.7267 | Soluble |
| 100 | A | A | 0.0000 | Buried |
| 101 | T | A | 0.0000 | Buried |
| 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 | S | A | 0.0000 | Buried |
| 108 | Y | A | 0.9489 | Aggregation-prone |
| 109 | S | A | 0.0697 | Aggregation-prone |
| 114 | T | A | -0.1608 | Soluble |
| 115 | P | A | -0.5640 | Soluble |
| 116 | P | A | 0.0000 | Buried |
| 117 | T | A | -0.7597 | Soluble |
| 118 | F | A | 0.0000 | Buried |
| 119 | G | A | 0.0000 | Buried |
| 120 | Q | A | -1.8221 | Soluble |
| 121 | G | A | 0.0000 | Buried |
| 122 | T | A | 0.0000 | Buried |
| 123 | K | A | -1.9673 | Soluble |
| 124 | V | A | 0.0000 | Buried |
| 125 | E | A | -1.3661 | Soluble |
| 126 | I | A | -0.7237 | Soluble |
| 127 | K | A | -1.4979 | Soluble |
| 128 | R | A | -1.3155 | Soluble |
| 129 | T | A | -0.1219 | Soluble |
| 130 | V | A | 0.3696 | Aggregation-prone |
| 131 | A | A | 0.1346 | Aggregation-prone |
| 132 | A | A | -0.1233 | Soluble |
| 133 | P | A | 0.0000 | Buried |
| 134 | S | A | -0.1480 | Soluble |
| 135 | V | A | 0.0000 | Buried |
| 136 | F | A | 0.1869 | Aggregation-prone |
| 137 | I | A | 0.1662 | Aggregation-prone |
| 138 | F | A | 0.0000 | Buried |
| 139 | P | A | -0.5032 | Soluble |
| 140 | P | A | 0.0000 | Buried |
| 141 | S | A | -1.5809 | Soluble |
| 142 | D | A | -2.9173 | Soluble |
| 143 | E | A | -2.9450 | Soluble |
| 144 | Q | A | 0.0000 | Buried |
| 145 | L | A | -2.1774 | Soluble |
| 146 | K | A | -2.8021 | Soluble |
| 147 | S | A | -1.7355 | Soluble |
| 148 | G | A | -1.2081 | Soluble |
| 149 | T | A | -0.9660 | 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 | -1.2587 | Soluble |
| 159 | F | A | 0.0000 | Buried |
| 160 | Y | A | 0.0000 | Buried |
| 161 | P | A | -1.7047 | Soluble |
| 162 | R | A | -2.6870 | Soluble |
| 163 | E | A | -2.9936 | Soluble |
| 164 | A | A | -1.9970 | Soluble |
| 165 | K | A | -1.7792 | Soluble |
| 166 | V | A | -0.9406 | Soluble |
| 167 | Q | A | -0.7966 | Soluble |
| 168 | W | A | 0.0000 | Buried |
| 169 | K | A | -0.6825 | Soluble |
| 170 | V | A | 0.0000 | Buried |
| 171 | D | A | -1.5326 | Soluble |
| 172 | N | A | -1.1865 | Soluble |
| 173 | A | A | -0.2859 | Soluble |
| 174 | L | A | 0.6939 | Aggregation-prone |
| 175 | Q | A | -0.4753 | Soluble |
| 176 | S | A | -0.8769 | Soluble |
| 177 | G | A | -1.3065 | Soluble |
| 178 | N | A | -1.5814 | Soluble |
| 179 | S | A | -1.6495 | Soluble |
| 180 | Q | A | -1.9243 | Soluble |
| 181 | E | A | -2.1078 | Soluble |
| 182 | S | A | -0.9272 | Soluble |
| 183 | V | A | -0.8771 | Soluble |
| 184 | T | A | -1.2478 | Soluble |
| 185 | E | A | -2.3400 | Soluble |
| 186 | Q | A | -2.2444 | Soluble |
| 187 | D | A | -2.4958 | Soluble |
| 188 | S | A | -2.1335 | Soluble |
| 189 | K | A | -2.9348 | Soluble |
| 190 | D | A | -3.0193 | 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 | -0.8395 | Soluble |
| 199 | L | A | 0.0000 | Buried |
| 200 | T | A | -0.4619 | Soluble |
| 201 | L | A | -0.7254 | Soluble |
| 202 | S | A | -0.9644 | Soluble |
| 203 | K | A | -1.9079 | Soluble |
| 204 | A | A | -1.6562 | Soluble |
| 205 | D | A | -2.4337 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | E | A | -3.2371 | Soluble |
| 208 | K | A | -3.4830 | Soluble |
| 209 | H | A | -2.9107 | Soluble |
| 210 | K | A | -2.9959 | Soluble |
| 211 | V | A | -1.3347 | Soluble |
| 212 | Y | A | 0.0000 | Buried |
| 213 | A | A | 0.0000 | Buried |
| 214 | C | A | 0.0000 | Buried |
| 215 | E | A | -1.0148 | Soluble |
| 216 | V | A | 0.0000 | Buried |
| 217 | T | A | -1.0572 | Soluble |
| 218 | H | A | 0.0000 | Buried |
| 219 | Q | A | -1.6077 | Soluble |
| 220 | G | A | -0.3702 | Soluble |
| 221 | L | A | -0.2133 | Soluble |
| 222 | S | A | -0.4365 | Soluble |
| 223 | S | A | -0.4068 | Soluble |
| 224 | P | A | -0.4921 | Soluble |
| 225 | V | A | -0.0939 | Soluble |
| 226 | T | A | -0.5532 | Soluble |
| 227 | K | A | -0.7351 | Soluble |
| 228 | S | A | -0.4782 | Soluble |
| 229 | F | A | -0.8878 | Soluble |
| 230 | N | A | -1.8911 | Soluble |
| 231 | R | A | -2.5144 | Soluble |
| 232 | G | A | -2.1190 | Soluble |
| 233 | E | A | -2.5289 | 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 | -0.7184 | 4.3877 | CSV PDB |
| 4.5 | -0.7571 | 4.3895 | CSV PDB |
| 5.0 | -0.8015 | 4.3943 | CSV PDB |
| 5.5 | -0.8427 | 4.4056 | CSV PDB |
| 6.0 | -0.8714 | 4.4243 | CSV PDB |
| 6.5 | -0.8796 | 4.4442 | CSV PDB |
| 7.0 | -0.8672 | 4.4576 | CSV PDB |
| 7.5 | -0.8412 | 4.4638 | CSV PDB |
| 8.0 | -0.8075 | 4.4661 | CSV PDB |
| 8.5 | -0.7679 | 4.4668 | CSV PDB |
| 9.0 | -0.7224 | 4.4669 | CSV PDB |