Calculation Parameters
| Chain Sequence(s) |
QVQLQESGPGLVKPSDTLSLTCAVSGYPIRFGYSWHWIRQPPGKGLEWMGYIHYSGYTDFNPSLKTRITISRDTSKNQFSLKLSSVTAVDTAVYYCARKDSGNYFPYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPEIVLTQSPDFQSVTPKEKVTITCRASQSISDHLHWYQQKPDQSPKLLIKYASHAISGVPSRFSGSGSGTDFTLTINSLEAEDAATYYCQQGYDFPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR
input.pdb
|
| Selected Chain(s) | M (Heavy), N (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 | M | -1.5139 | Soluble |
| 2 | V | M | 0.0000 | Buried |
| 3 | Q | M | -1.8337 | Soluble |
| 4 | L | M | 0.0000 | Buried |
| 5 | Q | M | -1.5873 | Soluble |
| 6 | E | M | 0.0000 | Buried |
| 7 | S | M | -0.8094 | Soluble |
| 8 | G | M | -0.8004 | Soluble |
| 9 | P | M | -0.6091 | Soluble |
| 11 | G | M | -0.5367 | Soluble |
| 12 | L | M | -0.2946 | Soluble |
| 13 | V | M | 0.0000 | Buried |
| 14 | K | M | -2.0964 | Soluble |
| 15 | P | M | -1.3754 | Soluble |
| 16 | S | M | -1.1944 | Soluble |
| 17 | D | M | -1.5480 | Soluble |
| 18 | T | M | -1.1883 | Soluble |
| 19 | L | M | 0.0000 | Buried |
| 20 | S | M | -0.8431 | Soluble |
| 21 | L | M | 0.0000 | Buried |
| 22 | T | M | -0.8305 | Soluble |
| 23 | C | M | 0.0000 | Buried |
| 24 | A | M | -1.1960 | Soluble |
| 25 | V | M | 0.0000 | Buried |
| 26 | S | M | -1.2623 | Soluble |
| 27 | G | M | -0.9942 | Soluble |
| 28 | Y | M | -0.2038 | Soluble |
| 29 | P | M | -0.2805 | Soluble |
| 30 | I | M | 0.0000 | Buried |
| 31 | R | M | -0.9822 | Soluble |
| 35 | F | M | 1.2028 | Aggregation-prone |
| 36 | G | M | 0.6278 | Aggregation-prone |
| 37 | Y | M | 0.4827 | Aggregation-prone |
| 38 | S | M | 0.0000 | Buried |
| 39 | W | M | 0.0000 | Buried |
| 40 | H | M | 0.0000 | Buried |
| 41 | W | M | 0.0000 | Buried |
| 42 | I | M | 0.0000 | Buried |
| 43 | R | M | 0.0000 | Buried |
| 44 | Q | M | -0.8386 | Soluble |
| 45 | P | M | -0.6525 | Soluble |
| 46 | P | M | -1.0288 | Soluble |
| 47 | G | M | -1.5121 | Soluble |
| 48 | K | M | -2.2937 | Soluble |
| 49 | G | M | -1.4234 | Soluble |
| 50 | L | M | 0.0000 | Buried |
| 51 | E | M | -0.7780 | Soluble |
| 52 | W | M | 0.0000 | Buried |
| 53 | M | M | 0.0000 | Buried |
| 54 | G | M | 0.0000 | Buried |
| 55 | Y | M | 0.0000 | Buried |
| 56 | I | M | 0.0000 | Buried |
| 57 | H | M | 0.3347 | Aggregation-prone |
| 58 | Y | M | 0.5433 | Aggregation-prone |
| 59 | S | M | 0.2844 | Aggregation-prone |
| 63 | G | M | 0.0255 | Aggregation-prone |
| 64 | Y | M | 1.0164 | Aggregation-prone |
| 65 | T | M | 0.2886 | Aggregation-prone |
| 66 | D | M | -0.2739 | Soluble |
| 67 | F | M | -0.2517 | Soluble |
| 68 | N | M | 0.0000 | Buried |
| 69 | P | M | -0.8430 | Soluble |
| 70 | S | M | -0.6965 | Soluble |
| 71 | L | M | 0.0000 | Buried |
| 72 | K | M | -1.5937 | Soluble |
| 74 | T | M | -0.9445 | Soluble |
| 75 | R | M | -1.1713 | Soluble |
| 76 | I | M | 0.0000 | Buried |
| 77 | T | M | -0.8683 | Soluble |
| 78 | I | M | 0.0000 | Buried |
| 79 | S | M | -0.8579 | Soluble |
| 80 | R | M | -1.6964 | Soluble |
| 81 | D | M | -2.4237 | Soluble |
| 82 | T | M | -1.9452 | Soluble |
| 83 | S | M | -1.8375 | Soluble |
| 84 | K | M | -2.4577 | Soluble |
| 85 | N | M | -2.0198 | Soluble |
| 86 | Q | M | -1.9002 | Soluble |
| 87 | F | M | 0.0000 | Buried |
| 88 | S | M | -0.9021 | Soluble |
| 89 | L | M | 0.0000 | Buried |
| 90 | K | M | -1.3877 | Soluble |
| 91 | L | M | 0.0000 | Buried |
| 92 | S | M | -1.0558 | Soluble |
| 93 | S | M | -0.9029 | Soluble |
| 94 | V | M | 0.0000 | Buried |
| 95 | T | M | 0.0485 | Aggregation-prone |
| 96 | A | M | 0.6236 | Aggregation-prone |
| 97 | V | M | 1.7739 | Aggregation-prone |
| 98 | D | M | 0.0000 | Buried |
| 99 | T | M | 0.6328 | Aggregation-prone |
| 100 | A | M | 0.0000 | Buried |
| 101 | V | M | 0.0219 | Aggregation-prone |
| 102 | Y | M | 0.0000 | Buried |
| 103 | Y | M | 0.0000 | Buried |
| 104 | C | M | 0.0000 | Buried |
| 105 | A | M | 0.0000 | Buried |
| 106 | R | M | 0.0000 | Buried |
| 107 | K | M | -0.2736 | Soluble |
| 108 | D | M | -0.2757 | Soluble |
| 109 | S | M | -0.3758 | Soluble |
| 110 | G | M | -0.3221 | Soluble |
| 113 | N | M | -0.3058 | Soluble |
| 114 | Y | M | -0.1127 | Soluble |
| 115 | F | M | 0.0000 | Buried |
| 116 | P | M | -0.1026 | Soluble |
| 117 | Y | M | -0.3408 | Soluble |
| 118 | W | M | -0.6501 | Soluble |
| 119 | G | M | 0.0000 | Buried |
| 120 | Q | M | -1.9747 | Soluble |
| 121 | G | M | -1.1417 | Soluble |
| 122 | T | M | -0.3734 | Soluble |
| 123 | L | M | -0.0017 | Soluble |
| 124 | V | M | 0.0000 | Buried |
| 125 | T | M | 0.0406 | Aggregation-prone |
| 126 | V | M | 0.0000 | Buried |
| 127 | S | M | -0.6868 | Soluble |
| 128 | S | M | -0.8910 | Soluble |
| 129 | A | M | -0.6304 | Soluble |
| 130 | S | M | -0.7909 | Soluble |
| 131 | T | M | -0.9456 | Soluble |
| 132 | K | M | -1.9035 | Soluble |
| 133 | G | M | -1.8212 | Soluble |
| 134 | P | M | 0.0000 | Buried |
| 135 | S | M | -0.5783 | Soluble |
| 136 | V | M | 0.0000 | Buried |
| 137 | F | M | -0.6735 | Soluble |
| 138 | P | M | -1.1642 | Soluble |
| 139 | L | M | 0.0000 | Buried |
| 140 | A | M | -0.5849 | Soluble |
| 141 | P | M | 0.0000 | Buried |
| 142 | S | M | -0.7190 | Soluble |
| 143 | S | M | -1.1276 | Soluble |
| 144 | K | M | -2.1389 | Soluble |
| 145 | S | M | -1.4454 | Soluble |
| 146 | T | M | -1.0802 | Soluble |
| 147 | S | M | -1.1691 | Soluble |
| 148 | G | M | -1.1630 | Soluble |
| 149 | G | M | -0.9858 | Soluble |
| 150 | T | M | -0.7352 | Soluble |
| 151 | A | M | 0.0000 | Buried |
| 152 | A | M | 0.0000 | Buried |
| 153 | L | M | 0.0000 | Buried |
| 154 | G | M | 0.0000 | Buried |
| 155 | C | M | 0.0000 | Buried |
| 156 | L | M | 0.0000 | Buried |
| 157 | V | M | 0.0000 | Buried |
| 158 | K | M | -0.3707 | Soluble |
| 159 | D | M | -0.8260 | Soluble |
| 160 | Y | M | 0.0000 | Buried |
| 161 | F | M | 0.0000 | Buried |
| 162 | P | M | 0.0000 | Buried |
| 163 | E | M | -0.2436 | Soluble |
| 164 | P | M | -0.5007 | Soluble |
| 165 | V | M | -0.5351 | Soluble |
| 166 | T | M | -0.5005 | Soluble |
| 167 | V | M | -0.2111 | Soluble |
| 168 | S | M | -0.2777 | Soluble |
| 169 | W | M | 0.0000 | Buried |
| 170 | N | M | -0.6664 | Soluble |
| 171 | S | M | -0.5455 | Soluble |
| 172 | G | M | -0.5986 | Soluble |
| 173 | A | M | -0.2871 | Soluble |
| 174 | L | M | -0.0658 | Soluble |
| 175 | T | M | -0.2120 | Soluble |
| 176 | S | M | -0.1935 | Soluble |
| 177 | G | M | -0.1831 | Soluble |
| 178 | V | M | 0.1292 | Aggregation-prone |
| 179 | H | M | -0.1577 | Soluble |
| 180 | T | M | 0.0141 | Aggregation-prone |
| 181 | F | M | 0.0000 | Buried |
| 182 | P | M | -0.3021 | Soluble |
| 183 | A | M | 0.2475 | Aggregation-prone |
| 184 | V | M | 0.4773 | Aggregation-prone |
| 185 | L | M | 1.2510 | Aggregation-prone |
| 186 | Q | M | 0.1969 | Aggregation-prone |
| 187 | S | M | -0.0616 | Soluble |
| 188 | S | M | -0.2406 | Soluble |
| 189 | G | M | 0.0406 | Aggregation-prone |
| 190 | L | M | -0.0706 | Soluble |
| 191 | Y | M | 0.3915 | Aggregation-prone |
| 192 | S | M | 0.0000 | Buried |
| 193 | L | M | 0.0000 | Buried |
| 194 | S | M | 0.0000 | Buried |
| 195 | S | M | 0.0000 | Buried |
| 196 | V | M | 0.0000 | Buried |
| 197 | V | M | 0.0000 | Buried |
| 198 | T | M | -0.1575 | Soluble |
| 199 | V | M | 0.0000 | Buried |
| 200 | P | M | -0.5131 | Soluble |
| 201 | S | M | -0.8659 | Soluble |
| 202 | S | M | -0.6793 | Soluble |
| 203 | S | M | -0.5771 | Soluble |
| 204 | L | M | -0.7947 | Soluble |
| 205 | G | M | -0.9729 | Soluble |
| 206 | T | M | -0.7300 | Soluble |
| 207 | Q | M | -1.0730 | Soluble |
| 208 | T | M | -1.1150 | Soluble |
| 209 | Y | M | 0.0000 | Buried |
| 210 | I | M | -1.2871 | Soluble |
| 211 | C | M | 0.0000 | Buried |
| 212 | N | M | -1.5620 | Soluble |
| 213 | V | M | 0.0000 | Buried |
| 214 | N | M | -1.6991 | Soluble |
| 215 | H | M | 0.0000 | Buried |
| 216 | K | M | -2.5332 | Soluble |
| 217 | P | M | -1.6425 | Soluble |
| 218 | S | M | -2.0046 | Soluble |
| 219 | N | M | -2.5217 | Soluble |
| 220 | T | M | -2.0062 | Soluble |
| 221 | K | M | -2.5806 | Soluble |
| 222 | V | M | -1.5603 | Soluble |
| 223 | D | M | -2.7028 | Soluble |
| 224 | K | M | -2.3218 | Soluble |
| 225 | R | M | -2.7945 | Soluble |
| 226 | V | M | 0.0000 | Buried |
| 227 | E | M | -2.3951 | Soluble |
| 228 | P | M | -1.1925 | Soluble |
| 1 | E | N | -1.6220 | Soluble |
| 2 | I | N | 0.0000 | Buried |
| 3 | V | N | 0.6835 | Aggregation-prone |
| 4 | L | N | 0.0000 | Buried |
| 5 | T | N | -0.7997 | Soluble |
| 6 | Q | N | 0.0000 | Buried |
| 7 | S | N | -1.0078 | Soluble |
| 8 | P | N | -0.7286 | Soluble |
| 9 | D | N | -1.3588 | Soluble |
| 10 | F | N | 0.3912 | Aggregation-prone |
| 11 | Q | N | -0.1288 | Soluble |
| 12 | S | N | -0.2684 | Soluble |
| 13 | V | N | -1.3230 | Soluble |
| 14 | T | N | -1.7981 | Soluble |
| 15 | P | N | -2.3363 | Soluble |
| 16 | K | N | -3.3993 | Soluble |
| 17 | E | N | -3.8751 | Soluble |
| 18 | K | N | -3.4743 | Soluble |
| 19 | V | N | 0.0000 | Buried |
| 20 | T | N | -0.8689 | Soluble |
| 21 | I | N | 0.0000 | Buried |
| 22 | T | N | -0.8080 | Soluble |
| 23 | C | N | 0.0000 | Buried |
| 24 | R | N | -2.1754 | Soluble |
| 25 | A | N | 0.0000 | Buried |
| 26 | S | N | -0.7234 | Soluble |
| 27 | Q | N | -0.9850 | Soluble |
| 28 | S | N | -1.1080 | Soluble |
| 29 | I | N | 0.0000 | Buried |
| 36 | S | N | -1.2162 | Soluble |
| 37 | D | N | -1.8248 | Soluble |
| 38 | H | N | -1.0048 | Soluble |
| 39 | L | N | 0.0000 | Buried |
| 40 | H | N | 0.0000 | Buried |
| 41 | W | N | 0.0000 | Buried |
| 42 | Y | N | 0.0000 | Buried |
| 43 | Q | N | 0.0000 | Buried |
| 44 | Q | N | 0.0000 | Buried |
| 45 | K | N | -1.9474 | Soluble |
| 46 | P | N | -1.8513 | Soluble |
| 47 | D | N | -2.6719 | Soluble |
| 48 | Q | N | -2.4181 | Soluble |
| 49 | S | N | -1.4571 | Soluble |
| 50 | P | N | 0.0000 | Buried |
| 51 | K | N | -1.0948 | Soluble |
| 52 | L | N | 0.0000 | Buried |
| 53 | L | N | 0.0000 | Buried |
| 54 | I | N | 0.0000 | Buried |
| 55 | K | N | -0.6241 | Soluble |
| 56 | Y | N | -0.6148 | Soluble |
| 57 | A | N | 0.0000 | Buried |
| 65 | S | N | -1.0109 | Soluble |
| 66 | H | N | -0.9955 | Soluble |
| 67 | A | N | -0.4580 | Soluble |
| 68 | I | N | -0.1366 | Soluble |
| 69 | S | N | -0.3291 | Soluble |
| 70 | G | N | -0.4188 | Soluble |
| 71 | V | N | -0.2628 | Soluble |
| 72 | P | N | -0.3580 | Soluble |
| 74 | S | N | -0.6272 | Soluble |
| 75 | R | N | -1.1889 | Soluble |
| 76 | F | N | 0.0000 | Buried |
| 77 | S | N | -0.7575 | Soluble |
| 78 | G | N | -0.6665 | Soluble |
| 79 | S | N | -0.7320 | Soluble |
| 80 | G | N | -1.2287 | Soluble |
| 83 | S | N | -1.2263 | Soluble |
| 84 | G | N | -1.3966 | Soluble |
| 85 | T | N | -1.4308 | Soluble |
| 86 | D | N | -1.8756 | Soluble |
| 87 | F | N | 0.0000 | Buried |
| 88 | T | N | -0.7344 | Soluble |
| 89 | L | N | 0.0000 | Buried |
| 90 | T | N | -0.8982 | Soluble |
| 91 | I | N | 0.0000 | Buried |
| 92 | N | N | -2.9502 | Soluble |
| 93 | S | N | -2.9689 | Soluble |
| 94 | L | N | 0.0000 | Buried |
| 95 | E | N | -2.4712 | Soluble |
| 96 | A | N | -2.5056 | Soluble |
| 97 | E | N | -2.7806 | Soluble |
| 98 | D | N | 0.0000 | Buried |
| 99 | A | N | -1.4594 | Soluble |
| 100 | A | N | 0.0000 | Buried |
| 101 | T | N | -0.5403 | Soluble |
| 102 | Y | N | 0.0000 | Buried |
| 103 | Y | N | 0.0000 | Buried |
| 104 | C | N | 0.0000 | Buried |
| 105 | Q | N | 0.0000 | Buried |
| 106 | Q | N | 0.0000 | Buried |
| 107 | G | N | 0.0000 | Buried |
| 108 | Y | N | -0.1435 | Soluble |
| 109 | D | N | -1.1047 | Soluble |
| 114 | F | N | -0.2401 | Soluble |
| 115 | P | N | -0.4261 | Soluble |
| 116 | L | N | 0.0000 | Buried |
| 117 | T | N | -0.0764 | Soluble |
| 118 | F | N | 0.1860 | Aggregation-prone |
| 119 | G | N | 0.0000 | Buried |
| 120 | G | N | -1.0341 | Soluble |
| 121 | G | N | -0.9261 | Soluble |
| 122 | T | N | 0.0000 | Buried |
| 123 | K | N | -0.6845 | Soluble |
| 124 | V | N | 0.0000 | Buried |
| 125 | E | N | -0.5948 | Soluble |
| 126 | I | N | 0.0000 | Buried |
| 127 | K | N | -1.1979 | Soluble |
| 128 | R | N | -0.8606 | Soluble |
| 129 | T | N | 0.1195 | Aggregation-prone |
| 130 | V | N | 0.9335 | Aggregation-prone |
| 131 | A | N | 0.3712 | Aggregation-prone |
| 132 | A | N | 0.0251 | Aggregation-prone |
| 133 | P | N | 0.0000 | Buried |
| 134 | S | N | -0.1428 | Soluble |
| 135 | V | N | 0.0000 | Buried |
| 136 | F | N | 0.1197 | Aggregation-prone |
| 137 | I | N | 0.1564 | Aggregation-prone |
| 138 | F | N | 0.0000 | Buried |
| 139 | P | N | -0.6139 | Soluble |
| 140 | P | N | 0.0000 | Buried |
| 141 | S | N | -1.3065 | Soluble |
| 142 | D | N | -2.5147 | Soluble |
| 143 | E | N | -2.1389 | Soluble |
| 144 | Q | N | 0.0000 | Buried |
| 145 | L | N | -2.0459 | Soluble |
| 146 | K | N | -2.5456 | Soluble |
| 147 | S | N | -1.5960 | Soluble |
| 148 | G | N | -1.3295 | Soluble |
| 149 | T | N | -0.8730 | Soluble |
| 150 | A | N | 0.0000 | Buried |
| 151 | S | N | 0.0000 | Buried |
| 152 | V | N | 0.0000 | Buried |
| 153 | V | N | 0.0000 | Buried |
| 154 | C | N | 0.0000 | Buried |
| 155 | L | N | 0.0000 | Buried |
| 156 | L | N | 0.0000 | Buried |
| 157 | N | N | 0.0000 | Buried |
| 158 | N | N | -0.7706 | Soluble |
| 159 | F | N | 0.0000 | Buried |
| 160 | Y | N | 0.0000 | Buried |
| 161 | P | N | -1.5712 | Soluble |
| 162 | R | N | -2.8353 | Soluble |
| 163 | E | N | -3.1321 | Soluble |
| 164 | A | N | -2.2974 | Soluble |
| 165 | K | N | -2.2823 | Soluble |
| 166 | V | N | -1.1809 | Soluble |
| 167 | Q | N | -0.5690 | Soluble |
| 168 | W | N | 0.0000 | Buried |
| 169 | K | N | -0.5325 | Soluble |
| 170 | V | N | 0.0000 | Buried |
| 171 | D | N | -1.8414 | Soluble |
| 172 | N | N | -1.4357 | Soluble |
| 173 | A | N | -0.1981 | Soluble |
| 174 | L | N | 0.8101 | Aggregation-prone |
| 175 | Q | N | -0.0529 | Soluble |
| 176 | S | N | -0.4837 | Soluble |
| 177 | G | N | -0.9198 | Soluble |
| 178 | N | N | -0.7893 | Soluble |
| 179 | S | N | -1.2857 | Soluble |
| 180 | Q | N | -1.8419 | Soluble |
| 181 | E | N | -2.1315 | Soluble |
| 182 | S | N | -0.8533 | Soluble |
| 183 | V | N | -0.3801 | Soluble |
| 184 | T | N | -0.5601 | Soluble |
| 185 | E | N | -1.4636 | Soluble |
| 186 | Q | N | 0.0000 | Buried |
| 187 | D | N | -1.9590 | Soluble |
| 188 | S | N | -2.4260 | Soluble |
| 189 | K | N | -2.8957 | Soluble |
| 190 | D | N | -2.2627 | Soluble |
| 191 | S | N | 0.0000 | Buried |
| 192 | T | N | 0.0000 | Buried |
| 193 | Y | N | 0.0000 | Buried |
| 194 | S | N | 0.0000 | Buried |
| 195 | L | N | 0.0000 | Buried |
| 196 | S | N | 0.0000 | Buried |
| 197 | S | N | 0.0000 | Buried |
| 198 | T | N | -0.8514 | Soluble |
| 199 | L | N | 0.0000 | Buried |
| 200 | T | N | -0.3158 | Soluble |
| 201 | L | N | -0.6648 | Soluble |
| 202 | S | N | -1.1679 | Soluble |
| 203 | K | N | -2.3176 | Soluble |
| 204 | A | N | -1.9873 | Soluble |
| 205 | D | N | -2.9490 | Soluble |
| 206 | Y | N | 0.0000 | Buried |
| 207 | E | N | -4.0917 | Soluble |
| 208 | K | N | -4.0352 | Soluble |
| 209 | H | N | -3.5955 | Soluble |
| 210 | K | N | -3.8718 | Soluble |
| 211 | V | N | -1.9881 | Soluble |
| 212 | Y | N | 0.0000 | Buried |
| 213 | A | N | -0.6885 | Soluble |
| 214 | C | N | 0.0000 | Buried |
| 215 | E | N | -0.9746 | Soluble |
| 216 | V | N | 0.0000 | Buried |
| 217 | T | N | -1.1733 | Soluble |
| 218 | H | N | 0.0000 | Buried |
| 219 | Q | N | -1.5228 | Soluble |
| 220 | G | N | -0.3561 | Soluble |
| 221 | L | N | -0.2023 | Soluble |
| 222 | S | N | -0.4693 | Soluble |
| 223 | S | N | -0.4334 | Soluble |
| 224 | P | N | -0.5962 | Soluble |
| 225 | V | N | -0.1089 | Soluble |
| 226 | T | N | -0.4712 | Soluble |
| 227 | K | N | -0.5594 | Soluble |
| 228 | S | N | -0.5808 | Soluble |
| 229 | F | N | -1.0733 | Soluble |
| 230 | N | N | -2.6012 | Soluble |
| 231 | R | N | -3.5706 | 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 | -0.7444 | 3.1313 | CSV PDB |
| 4.5 | -0.7869 | 2.9471 | CSV PDB |
| 5.0 | -0.8368 | 2.7377 | CSV PDB |
| 5.5 | -0.8829 | 2.5986 | CSV PDB |
| 6.0 | -0.9128 | 2.6061 | CSV PDB |
| 6.5 | -0.9182 | 2.6105 | CSV PDB |
| 7.0 | -0.901 | 2.6124 | CSV PDB |
| 7.5 | -0.8694 | 2.613 | CSV PDB |
| 8.0 | -0.8294 | 2.6131 | CSV PDB |
| 8.5 | -0.7832 | 2.6127 | CSV PDB |
| 9.0 | -0.7304 | 2.6114 | CSV PDB |