Calculation Parameters
| Chain Sequence(s) |
EVQLVESGGGLQPGGSLRLSCAASGFNIKDTYIHWVREAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSGTAILGCLVKDYFPEPVTVSWNSGALTSGVHTSPAVLQSSGLYMLASAVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQKKPGKAPKLLIYSASFLESGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVAIFPPSDEQLKSGTASVVCVLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYALFSVLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
input.pdb
|
| Selected Chain(s) | D (Heavy), C (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 | E | D | -2.1913 | Soluble |
| 2 | V | D | -1.5437 | Soluble |
| 3 | Q | D | -1.3366 | Soluble |
| 4 | L | D | 0.0000 | Buried |
| 5 | V | D | 1.1568 | Aggregation-prone |
| 6 | E | D | 0.0000 | Buried |
| 7 | S | D | -0.2908 | Soluble |
| 8 | G | D | -0.8756 | Soluble |
| 9 | G | D | -0.3348 | Soluble |
| 11 | G | D | 0.1887 | Aggregation-prone |
| 12 | L | D | 0.4572 | Aggregation-prone |
| 14 | Q | D | -1.4933 | Soluble |
| 15 | P | D | -1.5683 | Soluble |
| 16 | G | D | -1.3733 | Soluble |
| 17 | G | D | -1.0738 | Soluble |
| 18 | S | D | -1.1006 | Soluble |
| 19 | L | D | -1.0492 | Soluble |
| 20 | R | D | -2.1510 | Soluble |
| 21 | L | D | 0.0000 | Buried |
| 22 | S | D | -0.3830 | Soluble |
| 23 | C | D | 0.0000 | Buried |
| 24 | A | D | 0.0570 | Aggregation-prone |
| 25 | A | D | 0.0000 | Buried |
| 26 | S | D | -1.0891 | Soluble |
| 27 | G | D | -1.5752 | Soluble |
| 28 | F | D | -1.6453 | Soluble |
| 29 | N | D | -2.5773 | Soluble |
| 30 | I | D | 0.0000 | Buried |
| 35 | K | D | -2.9575 | Soluble |
| 36 | D | D | -3.1203 | Soluble |
| 37 | T | D | 0.0000 | Buried |
| 38 | Y | D | -0.6346 | Soluble |
| 39 | I | D | 0.0000 | Buried |
| 40 | H | D | 0.0000 | Buried |
| 41 | W | D | 0.0000 | Buried |
| 42 | V | D | 0.0000 | Buried |
| 43 | R | D | 0.0000 | Buried |
| 44 | E | D | -0.8793 | Soluble |
| 45 | A | D | 0.0000 | Buried |
| 46 | P | D | -1.2565 | Soluble |
| 47 | G | D | -1.6249 | Soluble |
| 48 | K | D | -2.6434 | Soluble |
| 49 | G | D | -1.6639 | Soluble |
| 50 | L | D | 0.0000 | Buried |
| 51 | E | D | -1.2734 | Soluble |
| 52 | W | D | 0.0000 | Buried |
| 53 | V | D | 0.0000 | Buried |
| 54 | A | D | 0.0000 | Buried |
| 55 | R | D | -0.6216 | Soluble |
| 56 | I | D | 0.0000 | Buried |
| 57 | Y | D | -0.4054 | Soluble |
| 58 | P | D | -1.1082 | Soluble |
| 59 | T | D | -1.2457 | Soluble |
| 62 | N | D | -0.9678 | Soluble |
| 63 | G | D | -0.3351 | Soluble |
| 64 | Y | D | 0.5172 | Aggregation-prone |
| 65 | T | D | -0.4403 | Soluble |
| 66 | R | D | -2.0275 | Soluble |
| 67 | Y | D | -1.9051 | Soluble |
| 68 | A | D | -1.8663 | Soluble |
| 69 | D | D | -2.6480 | Soluble |
| 70 | S | D | -1.7120 | Soluble |
| 71 | V | D | 0.0000 | Buried |
| 72 | K | D | -2.8265 | Soluble |
| 74 | G | D | -1.6853 | Soluble |
| 75 | R | D | -1.2526 | Soluble |
| 76 | F | D | 0.0000 | Buried |
| 77 | T | D | -1.1847 | Soluble |
| 78 | I | D | 0.0000 | Buried |
| 79 | S | D | -0.1371 | Soluble |
| 80 | A | D | -0.7237 | Soluble |
| 81 | D | D | -1.3667 | Soluble |
| 82 | T | D | -1.9086 | Soluble |
| 83 | S | D | -1.6068 | Soluble |
| 84 | K | D | -2.2116 | Soluble |
| 85 | N | D | -1.9080 | Soluble |
| 86 | T | D | -0.9900 | Soluble |
| 87 | A | D | 0.0000 | Buried |
| 88 | Y | D | -0.6067 | Soluble |
| 89 | L | D | 0.0000 | Buried |
| 90 | Q | D | -1.4853 | Soluble |
| 91 | M | D | 0.0000 | Buried |
| 92 | N | D | -1.2557 | Soluble |
| 93 | S | D | -1.1213 | Soluble |
| 94 | L | D | 0.0000 | Buried |
| 95 | R | D | -2.1173 | Soluble |
| 96 | A | D | -1.5999 | Soluble |
| 97 | E | D | -2.3159 | Soluble |
| 98 | D | D | 0.0000 | Buried |
| 99 | T | D | -0.6109 | Soluble |
| 100 | A | D | 0.0000 | Buried |
| 101 | V | D | 0.2660 | Aggregation-prone |
| 102 | Y | D | 0.0000 | Buried |
| 103 | Y | D | 0.0000 | Buried |
| 104 | C | D | 0.0000 | Buried |
| 105 | S | D | 0.0000 | Buried |
| 106 | R | D | -0.5186 | Soluble |
| 107 | W | D | 0.0000 | Buried |
| 108 | G | D | 0.0000 | Buried |
| 109 | G | D | -0.9844 | Soluble |
| 110 | D | D | -1.8186 | Soluble |
| 111 | G | D | 0.0000 | Buried |
| 112 | F | D | 0.8023 | Aggregation-prone |
| 113 | Y | D | 0.6699 | Aggregation-prone |
| 114 | A | D | 0.0000 | Buried |
| 115 | M | D | 0.0000 | Buried |
| 116 | D | D | -0.0806 | Soluble |
| 117 | Y | D | -0.2144 | Soluble |
| 118 | W | D | -0.3746 | Soluble |
| 119 | G | D | 0.0000 | Buried |
| 120 | Q | D | -1.2226 | Soluble |
| 121 | G | D | 0.0000 | Buried |
| 122 | T | D | 0.1594 | Aggregation-prone |
| 123 | L | D | 0.4359 | Aggregation-prone |
| 124 | V | D | 0.0000 | Buried |
| 125 | T | D | -0.1947 | Soluble |
| 126 | V | D | 0.0000 | Buried |
| 127 | S | D | -0.6613 | Soluble |
| 128 | S | D | -0.6560 | Soluble |
| 129 | A | D | -0.4404 | Soluble |
| 130 | S | D | -0.5961 | Soluble |
| 131 | T | D | -0.7908 | Soluble |
| 132 | K | D | -1.4430 | Soluble |
| 133 | G | D | -1.5413 | Soluble |
| 134 | P | D | 0.0000 | Buried |
| 135 | S | D | -0.4079 | Soluble |
| 136 | V | D | 0.0000 | Buried |
| 137 | F | D | -0.5374 | Soluble |
| 138 | P | D | -0.9459 | Soluble |
| 139 | L | D | 0.0000 | Buried |
| 140 | A | D | -0.7535 | Soluble |
| 141 | P | D | 0.0000 | Buried |
| 142 | S | D | -0.2950 | Soluble |
| 143 | G | D | -0.6443 | Soluble |
| 144 | T | D | -0.3978 | Soluble |
| 145 | A | D | -0.1495 | Soluble |
| 146 | I | D | 0.1754 | Aggregation-prone |
| 147 | L | D | 0.0000 | Buried |
| 148 | G | D | 0.0000 | Buried |
| 149 | C | D | 0.0000 | Buried |
| 150 | L | D | 0.0000 | Buried |
| 151 | V | D | 0.0000 | Buried |
| 152 | K | D | 0.0000 | Buried |
| 153 | D | D | -0.4981 | Soluble |
| 154 | Y | D | 0.0000 | Buried |
| 155 | F | D | 0.0000 | Buried |
| 156 | P | D | 0.0000 | Buried |
| 157 | E | D | -0.5021 | Soluble |
| 158 | P | D | -0.7800 | Soluble |
| 159 | V | D | -0.7460 | Soluble |
| 160 | T | D | -0.6143 | Soluble |
| 161 | V | D | -0.1690 | Soluble |
| 162 | S | D | -0.4007 | Soluble |
| 163 | W | D | 0.0000 | Buried |
| 164 | N | D | -0.7447 | Soluble |
| 165 | S | D | -0.6836 | Soluble |
| 166 | G | D | -0.5210 | Soluble |
| 167 | A | D | -0.2336 | Soluble |
| 168 | L | D | 0.0204 | Aggregation-prone |
| 169 | T | D | -0.1612 | Soluble |
| 170 | S | D | -0.1634 | Soluble |
| 171 | G | D | -0.2193 | Soluble |
| 172 | V | D | 0.2012 | Aggregation-prone |
| 173 | H | D | -0.4464 | Soluble |
| 174 | T | D | -0.1937 | Soluble |
| 175 | S | D | 0.0000 | Buried |
| 176 | P | D | -0.2048 | Soluble |
| 177 | A | D | 0.3134 | Aggregation-prone |
| 178 | V | D | 0.7327 | Aggregation-prone |
| 179 | L | D | 1.3273 | Aggregation-prone |
| 180 | Q | D | 0.3845 | Aggregation-prone |
| 181 | S | D | -0.0997 | Soluble |
| 182 | S | D | -0.1783 | Soluble |
| 183 | G | D | 0.1144 | Aggregation-prone |
| 184 | L | D | 0.1274 | Aggregation-prone |
| 185 | Y | D | 0.4471 | Aggregation-prone |
| 186 | M | D | 0.0000 | Buried |
| 187 | L | D | 0.0000 | Buried |
| 188 | A | D | 0.0000 | Buried |
| 189 | S | D | 0.0000 | Buried |
| 190 | A | D | 0.0000 | Buried |
| 191 | V | D | 0.0000 | Buried |
| 192 | T | D | -0.0445 | Soluble |
| 193 | V | D | 0.0000 | Buried |
| 194 | P | D | -0.5464 | Soluble |
| 195 | S | D | -0.4735 | Soluble |
| 196 | S | D | -0.5571 | Soluble |
| 197 | S | D | -0.5338 | Soluble |
| 198 | L | D | -0.7193 | Soluble |
| 199 | G | D | -1.0809 | Soluble |
| 200 | T | D | -0.8772 | Soluble |
| 201 | Q | D | -1.2135 | Soluble |
| 202 | T | D | -1.1014 | Soluble |
| 203 | Y | D | 0.0000 | Buried |
| 204 | I | D | -1.2985 | Soluble |
| 205 | C | D | 0.0000 | Buried |
| 206 | N | D | -1.5072 | Soluble |
| 207 | V | D | 0.0000 | Buried |
| 208 | N | D | -2.0371 | Soluble |
| 209 | H | D | 0.0000 | Buried |
| 210 | K | D | -2.7911 | Soluble |
| 211 | P | D | -1.5824 | Soluble |
| 212 | S | D | -1.9251 | Soluble |
| 213 | N | D | -2.6314 | Soluble |
| 214 | T | D | -2.1687 | Soluble |
| 215 | K | D | -2.7794 | Soluble |
| 216 | V | D | -1.6552 | Soluble |
| 217 | D | D | -2.5331 | Soluble |
| 218 | K | D | -2.0537 | Soluble |
| 219 | K | D | -2.3417 | Soluble |
| 220 | V | D | 0.0000 | Buried |
| 221 | E | D | -2.4782 | Soluble |
| 222 | P | D | -1.2211 | Soluble |
| 2 | I | C | -0.5243 | Soluble |
| 3 | Q | C | -1.6073 | Soluble |
| 4 | M | C | 0.0000 | Buried |
| 5 | T | C | -1.4066 | Soluble |
| 6 | Q | C | 0.0000 | Buried |
| 7 | S | C | -0.9337 | Soluble |
| 8 | P | C | -0.6997 | Soluble |
| 9 | S | C | -1.0029 | Soluble |
| 10 | S | C | -0.9903 | Soluble |
| 11 | L | C | -0.6576 | Soluble |
| 12 | S | C | -0.7980 | Soluble |
| 13 | A | C | -0.8512 | Soluble |
| 14 | S | C | -0.6770 | Soluble |
| 15 | V | C | 0.1995 | Aggregation-prone |
| 16 | G | C | -0.6469 | Soluble |
| 17 | D | C | -1.6818 | Soluble |
| 18 | R | C | -2.2302 | Soluble |
| 19 | V | C | 0.0000 | Buried |
| 20 | T | C | -0.6051 | Soluble |
| 21 | I | C | 0.0000 | Buried |
| 22 | T | C | -0.7879 | Soluble |
| 23 | C | C | 0.0000 | Buried |
| 24 | R | C | -2.8025 | Soluble |
| 25 | A | C | 0.0000 | Buried |
| 26 | S | C | -1.8092 | Soluble |
| 27 | Q | C | -2.3476 | Soluble |
| 28 | D | C | -2.7295 | Soluble |
| 29 | V | C | 0.0000 | Buried |
| 36 | N | C | -1.8593 | Soluble |
| 37 | T | C | -0.8198 | Soluble |
| 38 | A | C | 0.0640 | Aggregation-prone |
| 39 | V | C | 0.0000 | Buried |
| 40 | A | C | 0.0000 | Buried |
| 41 | W | C | 0.0000 | Buried |
| 42 | Y | C | 0.0000 | Buried |
| 43 | Q | C | 0.0000 | Buried |
| 44 | K | C | 0.0000 | Buried |
| 45 | K | C | -1.4961 | Soluble |
| 46 | P | C | -1.3237 | Soluble |
| 47 | G | C | -1.6221 | Soluble |
| 48 | K | C | -2.5428 | Soluble |
| 49 | A | C | -1.5921 | Soluble |
| 50 | P | C | 0.0000 | Buried |
| 51 | K | C | -1.4062 | Soluble |
| 52 | L | C | 0.0000 | Buried |
| 53 | L | C | 0.0000 | Buried |
| 54 | I | C | 0.0000 | Buried |
| 55 | Y | C | 0.0000 | Buried |
| 56 | S | C | 0.4507 | Aggregation-prone |
| 57 | A | C | 0.0000 | Buried |
| 65 | S | C | 0.2701 | Aggregation-prone |
| 66 | F | C | 1.3420 | Aggregation-prone |
| 67 | L | C | 0.8221 | Aggregation-prone |
| 68 | E | C | 0.0593 | Aggregation-prone |
| 69 | S | C | -0.2203 | Soluble |
| 70 | G | C | -0.5049 | Soluble |
| 71 | V | C | -0.3445 | Soluble |
| 72 | P | C | -0.3300 | Soluble |
| 74 | S | C | -0.4088 | Soluble |
| 75 | R | C | -0.6720 | Soluble |
| 76 | F | C | 0.0000 | Buried |
| 77 | S | C | -0.0292 | Soluble |
| 78 | G | C | -0.0899 | Soluble |
| 79 | S | C | -0.6710 | Soluble |
| 80 | R | C | -1.5855 | Soluble |
| 83 | S | C | -1.1921 | Soluble |
| 84 | G | C | -1.7996 | Soluble |
| 85 | T | C | -2.1931 | Soluble |
| 86 | D | C | -2.0296 | Soluble |
| 87 | F | C | 0.0000 | Buried |
| 88 | T | C | -0.7705 | Soluble |
| 89 | L | C | 0.0000 | Buried |
| 90 | T | C | -0.6019 | Soluble |
| 91 | I | C | 0.0000 | Buried |
| 92 | S | C | -1.2875 | Soluble |
| 93 | S | C | -1.0383 | Soluble |
| 94 | L | C | 0.0000 | Buried |
| 95 | Q | C | -0.5402 | Soluble |
| 96 | P | C | -1.2654 | Soluble |
| 97 | E | C | -1.6036 | Soluble |
| 98 | D | C | 0.0000 | Buried |
| 99 | F | C | -0.9660 | Soluble |
| 100 | A | C | 0.0000 | Buried |
| 101 | T | C | -0.9577 | Soluble |
| 102 | Y | C | 0.0000 | Buried |
| 103 | Y | C | 0.0000 | Buried |
| 104 | C | C | 0.0000 | Buried |
| 105 | Q | C | 0.0000 | Buried |
| 106 | Q | C | 0.0000 | Buried |
| 107 | H | C | 0.5582 | Aggregation-prone |
| 108 | Y | C | 0.6262 | Aggregation-prone |
| 109 | T | C | 0.5837 | Aggregation-prone |
| 114 | T | C | -0.1395 | Soluble |
| 115 | P | C | -0.5331 | Soluble |
| 116 | P | C | 0.0000 | Buried |
| 117 | T | C | -0.3144 | Soluble |
| 118 | F | C | -0.4805 | Soluble |
| 119 | G | C | 0.0000 | Buried |
| 120 | Q | C | -1.9729 | Soluble |
| 121 | G | C | 0.0000 | Buried |
| 122 | T | C | 0.0000 | Buried |
| 123 | K | C | -1.8672 | Soluble |
| 124 | V | C | 0.0000 | Buried |
| 125 | E | C | -1.2733 | Soluble |
| 126 | I | C | 0.0000 | Buried |
| 127 | K | C | -1.1387 | Soluble |
| 128 | R | C | -0.7538 | Soluble |
| 129 | T | C | -0.1397 | Soluble |
| 130 | V | C | 0.2243 | Aggregation-prone |
| 131 | A | C | -0.1313 | Soluble |
| 132 | A | C | -0.3197 | Soluble |
| 133 | P | C | 0.0000 | Buried |
| 134 | S | C | -0.2620 | Soluble |
| 135 | V | C | -0.0634 | Soluble |
| 136 | A | C | -0.0103 | Soluble |
| 137 | I | C | 0.0495 | Aggregation-prone |
| 138 | F | C | 0.0000 | Buried |
| 139 | P | C | -0.5188 | Soluble |
| 140 | P | C | -0.7051 | Soluble |
| 141 | S | C | -1.4144 | Soluble |
| 142 | D | C | -2.6741 | Soluble |
| 143 | E | C | -2.3516 | Soluble |
| 144 | Q | C | 0.0000 | Buried |
| 145 | L | C | -2.0561 | Soluble |
| 146 | K | C | -2.6475 | Soluble |
| 147 | S | C | -1.6394 | Soluble |
| 148 | G | C | -1.3542 | Soluble |
| 149 | T | C | -1.1852 | Soluble |
| 150 | A | C | 0.0000 | Buried |
| 151 | S | C | 0.0000 | Buried |
| 152 | V | C | 0.0000 | Buried |
| 153 | V | C | 0.0000 | Buried |
| 154 | C | C | 0.0000 | Buried |
| 155 | V | C | 0.0000 | Buried |
| 156 | L | C | 0.0000 | Buried |
| 157 | N | C | 0.0000 | Buried |
| 158 | N | C | -1.3650 | Soluble |
| 159 | F | C | 0.0000 | Buried |
| 160 | Y | C | 0.0000 | Buried |
| 161 | P | C | -1.3701 | Soluble |
| 162 | R | C | -1.9628 | Soluble |
| 163 | E | C | -2.7379 | Soluble |
| 164 | A | C | -2.1754 | Soluble |
| 165 | K | C | -2.4824 | Soluble |
| 166 | V | C | 0.0000 | Buried |
| 167 | Q | C | -0.9199 | Soluble |
| 168 | W | C | 0.0000 | Buried |
| 169 | K | C | -0.7835 | Soluble |
| 170 | V | C | 0.0000 | Buried |
| 171 | D | C | -1.9193 | Soluble |
| 172 | N | C | -1.6347 | Soluble |
| 173 | A | C | -0.4801 | Soluble |
| 174 | L | C | 0.2788 | Aggregation-prone |
| 175 | Q | C | -0.4061 | Soluble |
| 176 | S | C | -0.5642 | Soluble |
| 177 | G | C | -0.9033 | Soluble |
| 178 | N | C | -0.8650 | Soluble |
| 179 | S | C | -0.9336 | Soluble |
| 180 | Q | C | -0.9145 | Soluble |
| 181 | E | C | -1.0982 | Soluble |
| 182 | S | C | 0.0000 | Buried |
| 183 | V | C | -0.3919 | Soluble |
| 184 | T | C | 0.0000 | Buried |
| 185 | E | C | -1.8523 | Soluble |
| 186 | Q | C | 0.0000 | Buried |
| 187 | D | C | -2.1940 | Soluble |
| 188 | S | C | -2.1321 | Soluble |
| 189 | K | C | -2.5202 | Soluble |
| 190 | D | C | -1.9966 | Soluble |
| 191 | S | C | 0.0000 | Buried |
| 192 | T | C | 0.0000 | Buried |
| 193 | Y | C | 0.0000 | Buried |
| 194 | A | C | 0.0000 | Buried |
| 195 | L | C | 0.0000 | Buried |
| 196 | F | C | 0.0000 | Buried |
| 197 | S | C | 0.0000 | Buried |
| 198 | V | C | 0.0000 | Buried |
| 199 | L | C | 0.0000 | Buried |
| 200 | T | C | -0.4468 | Soluble |
| 201 | L | C | -0.7926 | Soluble |
| 202 | S | C | -1.1559 | Soluble |
| 203 | K | C | -2.1749 | Soluble |
| 204 | A | C | -2.0194 | Soluble |
| 205 | D | C | -2.8047 | Soluble |
| 206 | Y | C | 0.0000 | Buried |
| 207 | E | C | -3.6453 | Soluble |
| 208 | K | C | -3.6455 | Soluble |
| 209 | H | C | -2.8855 | Soluble |
| 210 | K | C | -2.5617 | Soluble |
| 211 | V | C | -1.1135 | Soluble |
| 212 | Y | C | 0.0000 | Buried |
| 213 | A | C | 0.0000 | Buried |
| 214 | C | C | 0.0000 | Buried |
| 215 | E | C | -0.9259 | Soluble |
| 216 | V | C | 0.0000 | Buried |
| 217 | T | C | -1.3070 | Soluble |
| 218 | H | C | 0.0000 | Buried |
| 219 | Q | C | -1.6899 | Soluble |
| 220 | G | C | -0.5337 | Soluble |
| 221 | L | C | -0.3018 | Soluble |
| 222 | S | C | -0.4736 | Soluble |
| 223 | S | C | -0.4291 | Soluble |
| 224 | P | C | -0.5694 | Soluble |
| 225 | V | C | 0.0187 | Aggregation-prone |
| 226 | T | C | -0.5458 | Soluble |
| 227 | K | C | -0.8093 | Soluble |
| 228 | S | C | -0.6372 | Soluble |
| 229 | F | C | -0.7178 | Soluble |
| 230 | N | C | -1.5828 | Soluble |
| 231 | R | C | -2.1226 | Soluble |
| 232 | G | C | -1.8146 | Soluble |
| 233 | E | C | -2.0590 | Soluble |
| 234 | C | C | -0.4254 | 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 | -0.6809 | 3.0555 | CSV PDB |
| 4.5 | -0.7259 | 2.9636 | CSV PDB |
| 5.0 | -0.7778 | 2.8495 | CSV PDB |
| 5.5 | -0.8273 | 2.7263 | CSV PDB |
| 6.0 | -0.8635 | 2.6001 | CSV PDB |
| 6.5 | -0.8771 | 2.4721 | CSV PDB |
| 7.0 | -0.8677 | 2.3428 | CSV PDB |
| 7.5 | -0.8432 | 2.2141 | CSV PDB |
| 8.0 | -0.8105 | 2.1623 | CSV PDB |
| 8.5 | -0.7713 | 2.1618 | CSV PDB |
| 9.0 | -0.7249 | 2.1614 | CSV PDB |