Calculation Parameters
| Chain Sequence(s) |
QVQLVQSGAEVKKPGSSVKVSCKASGYAFSSYWMNWVRQAPGQGLEWIGQIYPGDDDTNYNAKFQGRVTITVDKSTTTAYMELSSLRSEDTAVYFCAGSLMVTTGAPFDYWGQGTTVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPDIQMTQSPSSLSASVGDRVTITCKASQDVGIAVAWYQQKPGKAPKFLIYYASHRGWGVPDRFSGSGSGTDFTLTISSLQPEDFATYFCQQYRSYPLTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
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 | -0.9744 | Soluble |
| 2 | V | B | 0.1712 | Aggregation-prone |
| 3 | Q | B | -0.3996 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | V | B | 0.1213 | Aggregation-prone |
| 6 | Q | B | 0.0000 | Buried |
| 7 | S | B | -0.7391 | Soluble |
| 8 | G | B | -0.6169 | Soluble |
| 9 | A | B | -0.4144 | Soluble |
| 11 | E | B | -0.8350 | Soluble |
| 12 | V | B | -0.2261 | Soluble |
| 13 | K | B | -1.4289 | Soluble |
| 14 | K | B | -2.3960 | Soluble |
| 15 | P | B | -2.3386 | Soluble |
| 16 | G | B | -1.6662 | Soluble |
| 17 | S | B | -1.2987 | Soluble |
| 18 | S | B | -1.4438 | Soluble |
| 19 | V | B | 0.0000 | Buried |
| 20 | K | B | -2.0625 | Soluble |
| 21 | V | B | 0.0000 | Buried |
| 22 | S | B | -0.5839 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | K | B | -0.7004 | Soluble |
| 25 | A | B | 0.0000 | Buried |
| 26 | S | B | -0.3779 | Soluble |
| 27 | G | B | -0.4521 | Soluble |
| 28 | Y | B | 0.1042 | Aggregation-prone |
| 29 | A | B | 0.3210 | Aggregation-prone |
| 30 | F | B | 0.0000 | Buried |
| 35 | S | B | -0.8242 | Soluble |
| 36 | S | B | 0.2244 | Aggregation-prone |
| 37 | Y | B | 0.8285 | Aggregation-prone |
| 38 | W | B | 0.1640 | Aggregation-prone |
| 39 | M | B | 0.0000 | Buried |
| 40 | N | 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 | -0.5637 | Soluble |
| 45 | A | B | -1.0412 | Soluble |
| 46 | P | B | -0.9831 | Soluble |
| 47 | G | B | -1.3352 | Soluble |
| 48 | Q | B | -2.0008 | Soluble |
| 49 | G | B | -1.3032 | Soluble |
| 50 | L | B | 0.0000 | Buried |
| 51 | E | B | -0.8756 | Soluble |
| 52 | W | B | 0.0000 | Buried |
| 53 | I | B | 0.0000 | Buried |
| 54 | G | B | 0.0000 | Buried |
| 55 | Q | B | 0.0000 | Buried |
| 56 | I | B | 0.0000 | Buried |
| 57 | Y | B | -1.3778 | Soluble |
| 58 | P | B | 0.0000 | Buried |
| 59 | G | B | -2.0435 | Soluble |
| 62 | D | B | -3.2336 | Soluble |
| 63 | D | B | -3.5803 | Soluble |
| 64 | D | B | -3.2465 | Soluble |
| 65 | T | B | -1.7020 | Soluble |
| 66 | N | B | -0.8242 | Soluble |
| 67 | Y | B | -0.5766 | Soluble |
| 68 | N | B | 0.0000 | Buried |
| 69 | A | B | -1.3550 | Soluble |
| 70 | K | B | -2.1264 | Soluble |
| 71 | F | B | 0.0000 | Buried |
| 72 | Q | B | -2.0264 | Soluble |
| 74 | G | B | -1.4881 | Soluble |
| 75 | R | B | -1.4036 | Soluble |
| 76 | V | B | 0.0000 | Buried |
| 77 | T | B | -0.8262 | Soluble |
| 78 | I | B | 0.0000 | Buried |
| 79 | T | B | -0.8857 | Soluble |
| 80 | V | B | -1.1854 | Soluble |
| 81 | D | B | -2.0712 | Soluble |
| 82 | K | B | -2.3873 | Soluble |
| 83 | S | B | -1.3220 | Soluble |
| 84 | T | B | -1.1054 | Soluble |
| 85 | T | B | -1.2240 | Soluble |
| 86 | T | B | 0.0000 | Buried |
| 87 | A | B | 0.0000 | Buried |
| 88 | Y | B | -0.6433 | Soluble |
| 89 | M | B | 0.0000 | Buried |
| 90 | E | B | -1.3851 | Soluble |
| 91 | L | B | 0.0000 | Buried |
| 92 | S | B | -1.2194 | Soluble |
| 93 | S | B | -1.3195 | Soluble |
| 94 | L | B | 0.0000 | Buried |
| 95 | R | B | -3.1679 | Soluble |
| 96 | S | B | -2.4577 | Soluble |
| 97 | E | B | -2.7125 | Soluble |
| 98 | D | B | 0.0000 | Buried |
| 99 | T | B | -1.0001 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | V | B | 0.1230 | Aggregation-prone |
| 102 | Y | B | 0.0000 | Buried |
| 103 | F | B | 0.0000 | Buried |
| 104 | C | B | 0.0000 | Buried |
| 105 | A | B | 0.0000 | Buried |
| 106 | G | B | 0.0000 | Buried |
| 107 | S | B | 0.0000 | Buried |
| 108 | L | B | 0.5947 | Aggregation-prone |
| 109 | M | B | 0.7770 | Aggregation-prone |
| 110 | V | B | 1.3396 | Aggregation-prone |
| 111 | T | B | 0.6126 | Aggregation-prone |
| 112A | T | B | 0.4542 | Aggregation-prone |
| 112 | G | B | 0.0000 | Buried |
| 113 | A | B | 0.0000 | Buried |
| 114 | P | B | 0.0000 | Buried |
| 115 | F | B | 0.0000 | Buried |
| 116 | D | B | -0.2606 | Soluble |
| 117 | Y | B | -0.0142 | Soluble |
| 118 | W | B | 0.0000 | Buried |
| 119 | G | B | 0.0000 | Buried |
| 120 | Q | B | -1.4978 | Soluble |
| 121 | G | B | -0.8472 | Soluble |
| 122 | T | B | 0.0000 | Buried |
| 123 | T | B | -0.1995 | Soluble |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | 0.0000 | Buried |
| 126 | V | B | 0.0000 | Buried |
| 127 | S | B | -1.3894 | Soluble |
| 128 | S | B | -1.2094 | Soluble |
| 129 | A | B | -0.6729 | Soluble |
| 130 | S | B | -0.7508 | Soluble |
| 131 | T | B | -0.7048 | Soluble |
| 132 | K | B | -1.4314 | Soluble |
| 133 | G | B | -1.5665 | Soluble |
| 134 | P | B | 0.0000 | Buried |
| 135 | S | B | -0.4220 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | 0.0000 | Buried |
| 138 | P | B | -1.0385 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | -0.7694 | Soluble |
| 141 | P | B | 0.0000 | Buried |
| 142 | S | B | -0.4582 | Soluble |
| 143 | S | B | -0.3657 | Soluble |
| 144 | G | B | -0.6527 | Soluble |
| 145 | T | B | -0.5116 | Soluble |
| 146 | A | B | -0.3199 | Soluble |
| 147 | A | B | 0.0000 | Buried |
| 148 | L | B | 0.0000 | Buried |
| 149 | G | B | 0.0000 | Buried |
| 150 | C | B | 0.0000 | Buried |
| 151 | L | B | 0.0000 | Buried |
| 152 | V | B | 0.0000 | Buried |
| 153 | K | B | 0.0000 | Buried |
| 154 | D | B | -0.5264 | Soluble |
| 155 | Y | B | 0.0000 | Buried |
| 156 | F | B | 0.0000 | Buried |
| 157 | P | B | 0.0000 | Buried |
| 158 | E | B | -0.5028 | Soluble |
| 159 | P | B | -0.9120 | Soluble |
| 160 | V | B | 0.0000 | Buried |
| 161 | T | B | -0.9272 | Soluble |
| 162 | V | B | -0.4511 | Soluble |
| 163 | S | B | -0.5254 | Soluble |
| 164 | W | B | 0.0000 | Buried |
| 165 | N | B | -0.7621 | Soluble |
| 166 | S | B | -0.6691 | Soluble |
| 167 | G | B | -0.6384 | Soluble |
| 168 | A | B | -0.2943 | Soluble |
| 169 | L | B | -0.0628 | Soluble |
| 170 | T | B | -0.2112 | Soluble |
| 171 | S | B | -0.2304 | Soluble |
| 172 | G | B | -0.2864 | Soluble |
| 173 | V | B | 0.1636 | Aggregation-prone |
| 174 | H | B | -0.3566 | Soluble |
| 175 | T | B | -0.0252 | Soluble |
| 176 | F | B | 0.0000 | Buried |
| 177 | P | B | -0.4286 | Soluble |
| 178 | A | B | 0.0756 | Aggregation-prone |
| 179 | V | B | 0.2995 | Aggregation-prone |
| 180 | L | B | 0.9467 | Aggregation-prone |
| 181 | Q | B | 0.1192 | Aggregation-prone |
| 182 | S | B | -0.1169 | Soluble |
| 183 | S | B | -0.2353 | Soluble |
| 184 | G | B | -0.0223 | Soluble |
| 185 | L | B | -0.0400 | Soluble |
| 186 | Y | B | 0.2323 | Aggregation-prone |
| 187 | S | B | 0.0000 | Buried |
| 188 | L | B | 0.0000 | Buried |
| 189 | S | B | 0.0000 | Buried |
| 190 | S | B | 0.0000 | Buried |
| 191 | V | B | 0.0000 | Buried |
| 192 | V | B | 0.0000 | Buried |
| 193 | T | B | -0.1879 | Soluble |
| 194 | V | B | 0.0000 | Buried |
| 195 | P | B | -0.5848 | Soluble |
| 196 | S | B | -0.6476 | Soluble |
| 197 | S | B | -0.6950 | Soluble |
| 198 | S | B | -0.7222 | Soluble |
| 199 | L | B | -0.9457 | Soluble |
| 200 | G | B | -1.0595 | Soluble |
| 201 | T | B | -0.9002 | Soluble |
| 202 | Q | B | -1.4575 | Soluble |
| 203 | T | B | -1.2823 | Soluble |
| 204 | Y | B | 0.0000 | Buried |
| 205 | I | B | -1.2655 | Soluble |
| 206 | C | B | 0.0000 | Buried |
| 207 | N | B | -1.5966 | Soluble |
| 208 | V | B | 0.0000 | Buried |
| 209 | N | B | -2.6494 | Soluble |
| 210 | H | B | 0.0000 | Buried |
| 211 | K | B | -2.9698 | Soluble |
| 212 | P | B | -1.7616 | Soluble |
| 213 | S | B | -1.9799 | Soluble |
| 214 | N | B | -2.7565 | Soluble |
| 215 | T | B | -2.2810 | Soluble |
| 216 | K | B | -2.9488 | Soluble |
| 217 | V | B | -1.7041 | Soluble |
| 218 | D | B | -2.4734 | Soluble |
| 219 | K | B | -2.1512 | Soluble |
| 220 | R | B | -2.5543 | Soluble |
| 221 | V | B | 0.0000 | Buried |
| 222 | E | B | -2.1062 | Soluble |
| 223 | P | B | -1.0184 | Soluble |
| 1 | D | A | -2.0209 | Soluble |
| 2 | I | A | -2.0182 | Soluble |
| 3 | Q | A | -2.0922 | Soluble |
| 4 | M | A | 0.0000 | Buried |
| 5 | T | A | -1.1414 | Soluble |
| 6 | Q | A | 0.0000 | Buried |
| 7 | S | A | -0.6367 | Soluble |
| 8 | P | A | -0.6051 | Soluble |
| 9 | S | A | -0.8912 | Soluble |
| 10 | S | A | -0.8722 | Soluble |
| 11 | L | A | -0.5942 | Soluble |
| 12 | S | A | -0.9222 | Soluble |
| 13 | A | A | 0.0000 | Buried |
| 14 | S | A | -0.3790 | Soluble |
| 15 | V | A | 0.5104 | Aggregation-prone |
| 16 | G | A | -0.5420 | Soluble |
| 17 | D | A | -1.3388 | Soluble |
| 18 | R | A | -2.1063 | Soluble |
| 19 | V | A | 0.0000 | Buried |
| 20 | T | A | -0.5474 | Soluble |
| 21 | I | A | 0.0000 | Buried |
| 22 | T | A | -0.7030 | Soluble |
| 23 | C | A | 0.0000 | Buried |
| 24 | K | A | -2.2377 | Soluble |
| 25 | A | A | 0.0000 | Buried |
| 26 | S | A | -2.1400 | Soluble |
| 27 | Q | A | -3.1080 | Soluble |
| 28 | D | A | -2.9770 | Soluble |
| 29 | V | A | 0.0000 | Buried |
| 36 | G | A | -0.9221 | Soluble |
| 37 | I | A | 0.4303 | Aggregation-prone |
| 38 | A | A | -0.0640 | Soluble |
| 39 | V | A | 0.0000 | Buried |
| 40 | A | 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 | -2.9895 | Soluble |
| 46 | P | A | -2.0595 | Soluble |
| 47 | G | A | -1.9464 | Soluble |
| 48 | K | A | -3.0462 | Soluble |
| 49 | A | A | -2.0053 | Soluble |
| 50 | P | A | 0.0000 | Buried |
| 51 | K | A | -2.1114 | Soluble |
| 52 | F | A | 0.0000 | Buried |
| 53 | L | A | 0.0000 | Buried |
| 54 | I | A | 0.0000 | Buried |
| 55 | Y | A | 0.0720 | Aggregation-prone |
| 56 | Y | A | 0.3822 | Aggregation-prone |
| 57 | A | A | 0.0000 | Buried |
| 65 | S | A | -0.6307 | Soluble |
| 66 | H | A | -1.2363 | Soluble |
| 67 | R | A | -1.5342 | Soluble |
| 68 | G | A | -0.6730 | Soluble |
| 69 | W | A | 0.6423 | Aggregation-prone |
| 70 | G | A | -0.2431 | Soluble |
| 71 | V | A | -0.7994 | Soluble |
| 72 | P | A | -1.0959 | Soluble |
| 74 | D | A | -2.1822 | Soluble |
| 75 | R | A | -1.5544 | Soluble |
| 76 | F | A | 0.0000 | Buried |
| 77 | S | A | -1.0397 | Soluble |
| 78 | G | A | -0.6328 | Soluble |
| 79 | S | A | -0.6044 | Soluble |
| 80 | G | A | -0.8232 | Soluble |
| 83 | S | A | -0.8744 | Soluble |
| 84 | G | A | -1.5645 | Soluble |
| 85 | T | A | -2.1651 | Soluble |
| 86 | D | A | -2.6010 | Soluble |
| 87 | F | A | 0.0000 | Buried |
| 88 | T | A | -0.7559 | Soluble |
| 89 | L | A | 0.0000 | Buried |
| 90 | T | A | -0.5712 | Soluble |
| 91 | I | A | 0.0000 | Buried |
| 92 | S | A | -1.4490 | Soluble |
| 93 | S | A | -1.1276 | Soluble |
| 94 | L | A | 0.0000 | Buried |
| 95 | Q | A | -0.8640 | Soluble |
| 96 | P | A | -0.8384 | Soluble |
| 97 | E | A | -2.0225 | Soluble |
| 98 | D | A | 0.0000 | Buried |
| 99 | F | A | -0.7708 | Soluble |
| 100 | A | A | 0.0000 | Buried |
| 101 | T | A | -1.3328 | Soluble |
| 102 | Y | A | 0.0000 | Buried |
| 103 | F | A | 0.0000 | Buried |
| 104 | C | A | 0.0000 | Buried |
| 105 | Q | A | 0.0000 | Buried |
| 106 | Q | A | 0.0000 | Buried |
| 107 | Y | A | -0.3475 | Soluble |
| 108 | R | A | -1.7938 | Soluble |
| 109 | S | A | -0.9723 | Soluble |
| 114 | Y | A | 0.1039 | Aggregation-prone |
| 115 | P | A | -0.4096 | Soluble |
| 116 | L | A | 0.0000 | Buried |
| 117 | T | A | -0.7994 | Soluble |
| 118 | F | A | 0.0000 | Buried |
| 119 | G | A | 0.0000 | Buried |
| 120 | Q | A | -1.6726 | Soluble |
| 121 | G | A | 0.0000 | Buried |
| 122 | T | A | 0.0000 | Buried |
| 123 | K | A | -1.9575 | Soluble |
| 124 | L | A | 0.0000 | Buried |
| 125 | E | A | -1.2256 | Soluble |
| 126 | I | A | -0.4912 | Soluble |
| 127 | K | A | -1.3692 | Soluble |
| 128 | R | A | -1.0718 | Soluble |
| 129 | T | A | -0.2367 | Soluble |
| 130 | V | A | 0.4331 | Aggregation-prone |
| 131 | A | A | 0.1284 | Aggregation-prone |
| 132 | A | A | -0.1103 | Soluble |
| 133 | P | A | 0.0000 | Buried |
| 134 | S | A | -0.1005 | Soluble |
| 135 | V | A | 0.0000 | Buried |
| 136 | F | A | 0.0977 | Aggregation-prone |
| 137 | I | A | 0.0490 | Aggregation-prone |
| 138 | F | A | 0.0000 | Buried |
| 139 | P | A | -0.7714 | Soluble |
| 140 | P | A | 0.0000 | Buried |
| 141 | S | A | -1.3961 | Soluble |
| 142 | D | A | -2.6325 | Soluble |
| 143 | E | A | -2.3674 | Soluble |
| 144 | Q | A | 0.0000 | Buried |
| 145 | L | A | -1.8616 | Soluble |
| 146 | K | A | -2.6119 | Soluble |
| 147 | S | A | -1.6359 | Soluble |
| 148 | G | A | -1.1831 | Soluble |
| 149 | T | A | -1.0332 | 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 | -0.8715 | Soluble |
| 159 | F | A | 0.0000 | Buried |
| 160 | Y | A | 0.0000 | Buried |
| 161 | P | A | -1.6854 | Soluble |
| 162 | R | A | -2.8633 | Soluble |
| 163 | E | A | -3.1344 | Soluble |
| 164 | A | A | -2.3713 | Soluble |
| 165 | K | A | -2.9585 | Soluble |
| 166 | V | A | 0.0000 | Buried |
| 167 | Q | A | -1.3936 | Soluble |
| 168 | W | A | 0.0000 | Buried |
| 169 | K | A | -0.9512 | Soluble |
| 170 | V | A | 0.0000 | Buried |
| 171 | D | A | -1.5866 | Soluble |
| 172 | N | A | -1.3224 | Soluble |
| 173 | A | A | -0.4451 | Soluble |
| 174 | L | A | 0.0405 | Aggregation-prone |
| 175 | Q | A | -0.5683 | Soluble |
| 176 | S | A | -0.7221 | Soluble |
| 177 | G | A | -0.9358 | Soluble |
| 178 | N | A | -0.8440 | Soluble |
| 179 | S | A | -1.3933 | Soluble |
| 180 | Q | A | -1.8275 | Soluble |
| 181 | E | A | -2.3718 | Soluble |
| 182 | S | A | -0.9800 | Soluble |
| 183 | V | A | -0.8284 | Soluble |
| 184 | T | A | -1.2067 | Soluble |
| 185 | E | A | -2.3247 | Soluble |
| 186 | Q | A | -1.9579 | Soluble |
| 187 | D | A | -2.1840 | Soluble |
| 188 | S | A | -1.7918 | Soluble |
| 189 | K | A | -2.3430 | Soluble |
| 190 | D | A | -1.7909 | Soluble |
| 191 | S | A | -1.8439 | Soluble |
| 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 | -0.7829 | Soluble |
| 199 | L | A | 0.0000 | Buried |
| 200 | T | A | -0.5211 | Soluble |
| 201 | L | A | -0.8484 | Soluble |
| 202 | S | A | -1.3088 | Soluble |
| 203 | K | A | -2.3336 | Soluble |
| 204 | A | A | -2.1523 | Soluble |
| 205 | D | A | -3.1832 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | E | A | -3.9309 | Soluble |
| 208 | K | A | -3.8200 | Soluble |
| 209 | H | A | -2.9364 | Soluble |
| 210 | K | A | -3.0649 | Soluble |
| 211 | V | A | -1.3242 | Soluble |
| 212 | Y | A | 0.0000 | Buried |
| 213 | A | A | 0.0000 | Buried |
| 214 | C | A | 0.0000 | Buried |
| 215 | E | A | -1.0987 | Soluble |
| 216 | V | A | 0.0000 | Buried |
| 217 | T | A | -1.3736 | Soluble |
| 218 | H | A | 0.0000 | Buried |
| 219 | Q | A | -1.8032 | Soluble |
| 220 | G | A | -0.4683 | Soluble |
| 221 | L | A | -0.2127 | Soluble |
| 222 | S | A | -0.4202 | Soluble |
| 223 | S | A | -0.3780 | Soluble |
| 224 | P | A | -0.5939 | Soluble |
| 225 | V | A | 0.0762 | Aggregation-prone |
| 226 | T | A | -0.5796 | Soluble |
| 227 | K | A | -0.7874 | Soluble |
| 228 | S | A | -0.6809 | Soluble |
| 229 | F | A | -1.1010 | Soluble |
| 230 | N | A | -2.0854 | Soluble |
| 231 | R | A | -2.6699 | Soluble |
| 232 | G | A | -2.2290 | Soluble |
| 233 | E | A | -2.6068 | 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 | -0.7533 | 2.8708 | CSV PDB |
| 4.5 | -0.8049 | 2.8547 | CSV PDB |
| 5.0 | -0.8635 | 2.8387 | CSV PDB |
| 5.5 | -0.9187 | 2.8276 | CSV PDB |
| 6.0 | -0.9588 | 2.826 | CSV PDB |
| 6.5 | -0.9749 | 2.8326 | CSV PDB |
| 7.0 | -0.9672 | 2.8367 | CSV PDB |
| 7.5 | -0.9443 | 2.831 | CSV PDB |
| 8.0 | -0.9127 | 2.818 | CSV PDB |
| 8.5 | -0.8735 | 2.8035 | CSV PDB |
| 9.0 | -0.8251 | 2.7922 | CSV PDB |