Calculation Parameters
| Chain Sequence(s) |
QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPDILLTQSPVILSVSPGERVSFSCRASQSIGTNIHWYQQRTNGSPRLLIKYASESISGIPSRFSGSGSGTDFTLSINSVESEDIADYYCQQNNNWPTTFGAGTKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
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 | -1.4075 | Soluble |
| 2 | V | B | -0.7528 | Soluble |
| 3 | Q | B | -1.6211 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | K | B | -2.3473 | Soluble |
| 6 | Q | B | 0.0000 | Buried |
| 7 | S | B | -0.8461 | Soluble |
| 8 | G | B | -1.1198 | Soluble |
| 9 | P | B | -0.4432 | Soluble |
| 11 | G | B | -0.4843 | Soluble |
| 12 | L | B | 0.0634 | Aggregation-prone |
| 13 | V | B | 0.0000 | Buried |
| 14 | Q | B | -0.9630 | Soluble |
| 15 | P | B | -1.0826 | Soluble |
| 16 | S | B | -1.2107 | Soluble |
| 17 | Q | B | -1.7564 | Soluble |
| 18 | S | B | -1.5767 | Soluble |
| 19 | L | B | 0.0000 | Buried |
| 20 | S | B | -0.6757 | Soluble |
| 21 | I | B | 0.0000 | Buried |
| 22 | T | B | -0.4930 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | T | B | -1.1597 | Soluble |
| 25 | V | B | 0.0000 | Buried |
| 26 | S | B | -1.2412 | Soluble |
| 27 | G | B | -0.9469 | Soluble |
| 28 | F | B | -0.5255 | Soluble |
| 29 | S | B | -0.8607 | Soluble |
| 30 | L | B | 0.0000 | Buried |
| 35 | T | B | -0.9283 | Soluble |
| 36 | N | B | -0.9416 | Soluble |
| 37 | Y | B | 0.2522 | Aggregation-prone |
| 38 | G | B | 0.0000 | Buried |
| 39 | V | 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 | -0.4782 | Soluble |
| 45 | S | B | -1.0423 | Soluble |
| 46 | P | B | -1.2035 | Soluble |
| 47 | G | B | -1.7611 | Soluble |
| 48 | K | B | -2.2182 | Soluble |
| 49 | G | B | -1.1230 | Soluble |
| 50 | L | B | 0.0000 | Buried |
| 51 | E | B | 0.0000 | Buried |
| 52 | W | B | 0.0000 | Buried |
| 53 | L | B | 0.0000 | Buried |
| 54 | G | B | 0.0000 | Buried |
| 55 | V | B | 0.0000 | Buried |
| 56 | I | B | 0.0000 | Buried |
| 57 | W | B | -0.6019 | Soluble |
| 58 | S | B | -0.6859 | Soluble |
| 59 | G | B | -1.2074 | Soluble |
| 63 | G | B | -1.5315 | Soluble |
| 64 | N | B | -1.8541 | Soluble |
| 65 | T | B | -1.3194 | Soluble |
| 66 | D | B | -1.0479 | Soluble |
| 67 | Y | B | -0.4411 | Soluble |
| 68 | N | B | -0.2198 | Soluble |
| 69 | T | B | -0.2529 | Soluble |
| 70 | P | B | -0.4052 | Soluble |
| 71 | F | B | 0.0000 | Buried |
| 72 | T | B | -0.5013 | Soluble |
| 74 | S | B | -0.6671 | Soluble |
| 75 | R | B | -1.1590 | Soluble |
| 76 | L | B | 0.0000 | Buried |
| 77 | S | B | -1.1061 | Soluble |
| 78 | I | B | 0.0000 | Buried |
| 79 | N | B | -1.7269 | Soluble |
| 80 | K | B | -1.4589 | Soluble |
| 81 | D | B | -1.8107 | Soluble |
| 82 | N | B | -2.2120 | Soluble |
| 83 | S | B | -1.6809 | Soluble |
| 84 | K | B | -2.3783 | Soluble |
| 85 | S | B | -1.5736 | Soluble |
| 86 | Q | B | -1.5163 | Soluble |
| 87 | V | B | 0.0000 | Buried |
| 88 | F | B | -0.2207 | Soluble |
| 89 | F | B | 0.0000 | Buried |
| 90 | K | B | -1.5318 | Soluble |
| 91 | M | B | 0.0000 | Buried |
| 92 | N | B | -2.0238 | Soluble |
| 93 | S | B | -1.3899 | Soluble |
| 94 | L | B | -1.0911 | Soluble |
| 97 | N | B | -1.6470 | Soluble |
| 98 | D | B | -0.8026 | Soluble |
| 99 | T | B | -0.3508 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | I | B | 0.4691 | 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 | A | B | 0.0000 | Buried |
| 108 | L | B | 0.8913 | Aggregation-prone |
| 109 | T | B | 0.8803 | Aggregation-prone |
| 110 | Y | B | 1.4091 | Aggregation-prone |
| 111 | Y | B | 1.6623 | Aggregation-prone |
| 112 | D | B | 0.8060 | Aggregation-prone |
| 113 | Y | B | 0.0000 | Buried |
| 114 | E | B | 0.0000 | Buried |
| 115 | F | B | 0.0000 | Buried |
| 116 | A | B | 0.2603 | Aggregation-prone |
| 117 | Y | B | 0.2049 | Aggregation-prone |
| 118 | W | B | -0.4844 | Soluble |
| 119 | G | B | 0.0000 | Buried |
| 120 | Q | B | -1.8314 | Soluble |
| 121 | G | B | -0.8995 | Soluble |
| 122 | T | B | 0.0000 | Buried |
| 123 | L | B | 0.3248 | Aggregation-prone |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | -0.0286 | Soluble |
| 126 | V | B | -0.3197 | Soluble |
| 127 | S | B | -0.2734 | Soluble |
| 128 | A | B | -0.2937 | Soluble |
| 129 | A | B | -0.2174 | Soluble |
| 130 | S | B | -0.4791 | Soluble |
| 131 | T | B | -0.7396 | Soluble |
| 132 | K | B | -1.2343 | Soluble |
| 133 | G | B | -1.2624 | Soluble |
| 134 | P | B | 0.0000 | Buried |
| 135 | S | B | -0.3570 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | -0.6515 | Soluble |
| 138 | P | B | -1.0836 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | -1.0514 | Soluble |
| 141 | P | B | 0.0000 | Buried |
| 142 | S | B | -1.1054 | Soluble |
| 144 | K | B | -1.9424 | Soluble |
| 145 | S | B | 0.0000 | Buried |
| 146 | T | B | -1.0047 | Soluble |
| 147 | S | B | -0.9585 | Soluble |
| 148 | G | B | -0.8561 | Soluble |
| 149 | G | B | -0.9187 | Soluble |
| 150 | T | B | -0.6488 | Soluble |
| 151 | A | B | 0.0000 | Buried |
| 152 | A | B | 0.0000 | Buried |
| 153 | L | B | 0.0000 | Buried |
| 154 | G | B | 0.0000 | Buried |
| 155 | C | B | 0.0000 | Buried |
| 156 | L | B | 0.0000 | Buried |
| 157 | V | B | 0.0000 | Buried |
| 158 | K | B | 0.0000 | Buried |
| 159 | D | B | -0.4518 | Soluble |
| 160 | Y | B | 0.0000 | Buried |
| 161 | F | B | 0.0000 | Buried |
| 162 | P | B | 0.0000 | Buried |
| 163 | E | B | -0.2692 | Soluble |
| 164 | P | B | -0.4674 | Soluble |
| 165 | V | B | -0.4966 | Soluble |
| 166 | T | B | -0.4737 | Soluble |
| 167 | V | B | -0.2750 | Soluble |
| 168 | S | B | -0.3416 | Soluble |
| 169 | W | B | 0.0000 | Buried |
| 170 | N | B | -0.8703 | Soluble |
| 171 | S | B | -0.6485 | Soluble |
| 172 | G | B | -0.5405 | Soluble |
| 173 | A | B | -0.2499 | Soluble |
| 174 | L | B | -0.0232 | Soluble |
| 175 | T | B | -0.1797 | Soluble |
| 176 | S | B | -0.1873 | Soluble |
| 177 | G | B | -0.2332 | Soluble |
| 178 | V | B | 0.1596 | Aggregation-prone |
| 179 | H | B | -0.3097 | Soluble |
| 180 | T | B | -0.1532 | Soluble |
| 181 | F | B | 0.0000 | Buried |
| 182 | P | B | -0.2761 | Soluble |
| 183 | A | B | 0.2753 | Aggregation-prone |
| 184 | V | B | 0.5014 | Aggregation-prone |
| 185 | L | B | 0.9495 | Aggregation-prone |
| 186 | Q | B | 0.1936 | Aggregation-prone |
| 187 | S | B | -0.1150 | Soluble |
| 188 | S | B | -0.2482 | Soluble |
| 189 | G | B | 0.0092 | Aggregation-prone |
| 190 | L | B | 0.0982 | Aggregation-prone |
| 191 | Y | B | 0.4093 | Aggregation-prone |
| 192 | S | B | 0.0000 | Buried |
| 193 | L | B | 0.0000 | Buried |
| 194 | S | B | 0.0000 | Buried |
| 195 | S | B | 0.0000 | Buried |
| 196 | V | B | 0.0000 | Buried |
| 197 | V | B | 0.0000 | Buried |
| 198 | T | B | -0.1277 | Soluble |
| 199 | V | B | 0.0000 | Buried |
| 200 | P | B | -0.5462 | Soluble |
| 201 | S | B | -0.6078 | Soluble |
| 202 | S | B | -0.6064 | Soluble |
| 203 | S | B | -0.6577 | Soluble |
| 204 | L | B | -0.8599 | Soluble |
| 205 | G | B | -0.9907 | Soluble |
| 206 | T | B | -0.7714 | Soluble |
| 207 | Q | B | -1.3077 | Soluble |
| 208 | T | B | -1.1906 | Soluble |
| 209 | Y | B | 0.0000 | Buried |
| 210 | I | B | -1.3306 | Soluble |
| 211 | C | B | 0.0000 | Buried |
| 212 | N | B | -1.3421 | Soluble |
| 213 | V | B | 0.0000 | Buried |
| 214 | N | B | -1.6578 | Soluble |
| 215 | H | B | 0.0000 | Buried |
| 216 | K | B | -2.3890 | Soluble |
| 217 | P | B | -1.4131 | Soluble |
| 218 | S | B | -1.6681 | Soluble |
| 219 | N | B | -2.4333 | Soluble |
| 220 | T | B | -1.9156 | Soluble |
| 221 | K | B | -2.4722 | Soluble |
| 222 | V | B | -1.3792 | Soluble |
| 223 | D | B | -2.1981 | Soluble |
| 224 | K | B | -2.0518 | Soluble |
| 225 | R | B | -2.5889 | Soluble |
| 226 | V | B | 0.0000 | Buried |
| 227 | E | B | -2.5180 | Soluble |
| 228 | P | B | -1.2169 | Soluble |
| 1 | D | A | -1.4057 | Soluble |
| 2 | I | A | 0.0000 | Buried |
| 3 | L | A | 0.5985 | Aggregation-prone |
| 4 | L | A | 0.0000 | Buried |
| 5 | T | A | -0.3400 | Soluble |
| 6 | Q | A | 0.0000 | Buried |
| 7 | S | A | 0.0544 | Aggregation-prone |
| 8 | P | A | 0.7723 | Aggregation-prone |
| 9 | V | A | 1.7363 | Aggregation-prone |
| 10 | I | A | 1.2752 | Aggregation-prone |
| 11 | L | A | 0.5487 | Aggregation-prone |
| 12 | S | A | -0.2352 | Soluble |
| 13 | V | A | -1.0516 | Soluble |
| 14 | S | A | -1.6797 | Soluble |
| 15 | P | A | -1.8161 | Soluble |
| 16 | G | A | -2.1656 | Soluble |
| 17 | E | A | -3.0380 | Soluble |
| 18 | R | A | -3.3844 | Soluble |
| 19 | V | A | 0.0000 | Buried |
| 20 | S | A | -0.6821 | Soluble |
| 21 | F | A | 0.0000 | Buried |
| 22 | S | A | -0.7313 | Soluble |
| 23 | C | A | 0.0000 | Buried |
| 24 | R | A | -2.4228 | Soluble |
| 25 | A | A | -1.3121 | Soluble |
| 26 | S | A | -0.9994 | Soluble |
| 27 | Q | A | -1.5930 | Soluble |
| 28 | S | A | -1.4995 | Soluble |
| 29 | I | A | 0.0000 | Buried |
| 36 | G | A | -0.9762 | Soluble |
| 37 | T | A | -0.7336 | Soluble |
| 38 | N | A | -0.8046 | Soluble |
| 39 | I | A | 0.0000 | Buried |
| 40 | H | 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 | -1.3453 | Soluble |
| 45 | R | A | -1.8814 | Soluble |
| 46 | T | A | -1.7153 | Soluble |
| 47 | N | A | -1.9853 | Soluble |
| 48 | G | A | -1.4897 | Soluble |
| 49 | S | A | -0.9601 | Soluble |
| 50 | P | A | 0.0000 | Buried |
| 51 | R | A | -0.6648 | Soluble |
| 52 | L | A | 0.0000 | Buried |
| 53 | L | A | 0.0000 | Buried |
| 54 | I | A | 0.0000 | Buried |
| 55 | K | A | -0.6619 | Soluble |
| 56 | Y | A | -0.4961 | Soluble |
| 57 | A | A | 0.0000 | Buried |
| 65 | S | A | -1.2602 | Soluble |
| 66 | E | A | -1.9723 | Soluble |
| 67 | S | A | -1.1762 | Soluble |
| 68 | I | A | -0.5205 | Soluble |
| 69 | S | A | -0.3411 | Soluble |
| 70 | G | A | -0.4692 | Soluble |
| 71 | I | A | -0.2386 | Soluble |
| 72 | P | A | -0.3027 | Soluble |
| 74 | S | A | -0.6043 | Soluble |
| 75 | R | A | -1.1384 | Soluble |
| 76 | F | A | 0.0000 | Buried |
| 77 | S | A | -0.9452 | Soluble |
| 78 | G | A | -0.7213 | Soluble |
| 79 | S | A | -0.8238 | Soluble |
| 80 | G | A | -1.0738 | Soluble |
| 83 | S | A | -1.0780 | Soluble |
| 84 | G | A | -1.2788 | Soluble |
| 85 | T | A | -1.8223 | Soluble |
| 86 | D | A | -2.3542 | Soluble |
| 87 | F | A | 0.0000 | Buried |
| 88 | T | A | -0.7893 | Soluble |
| 89 | L | A | 0.0000 | Buried |
| 90 | S | A | -0.9348 | Soluble |
| 91 | I | A | 0.0000 | Buried |
| 92 | N | A | -2.7479 | Soluble |
| 93 | S | A | -2.4361 | Soluble |
| 94 | V | A | 0.0000 | Buried |
| 95 | E | A | -1.9859 | Soluble |
| 96 | S | A | -1.8759 | Soluble |
| 97 | E | A | -1.7718 | Soluble |
| 98 | D | A | 0.0000 | Buried |
| 99 | I | A | -1.3673 | Soluble |
| 100 | A | A | 0.0000 | Buried |
| 101 | D | A | -1.1312 | Soluble |
| 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 | N | A | -0.7516 | Soluble |
| 108 | N | A | -1.2914 | Soluble |
| 109 | N | A | -1.0421 | Soluble |
| 114 | W | A | 0.1005 | Aggregation-prone |
| 115 | P | A | 0.0000 | Buried |
| 116 | T | A | 0.0000 | Buried |
| 117 | T | A | -0.0376 | Soluble |
| 118 | F | A | 0.2009 | Aggregation-prone |
| 119 | G | A | 0.0000 | Buried |
| 120 | A | A | -0.0479 | Soluble |
| 121 | G | A | -0.0338 | Soluble |
| 122 | T | A | 0.0000 | Buried |
| 123 | K | A | -0.8173 | Soluble |
| 124 | L | A | 0.0000 | Buried |
| 125 | E | A | -0.7945 | Soluble |
| 126 | L | A | 0.0000 | Buried |
| 127 | K | A | -1.5387 | Soluble |
| 128 | R | A | -1.1893 | Soluble |
| 129 | T | A | -0.1344 | Soluble |
| 130 | V | A | 0.3430 | Aggregation-prone |
| 131 | A | A | 0.1568 | Aggregation-prone |
| 132 | A | A | -0.0939 | Soluble |
| 133 | P | A | 0.0000 | Buried |
| 134 | S | A | -0.2260 | Soluble |
| 135 | V | A | 0.0000 | Buried |
| 136 | F | A | 0.0000 | Buried |
| 137 | I | A | 0.0000 | Buried |
| 138 | F | A | 0.0000 | Buried |
| 139 | P | A | -0.8469 | Soluble |
| 140 | P | A | -0.8116 | Soluble |
| 141 | S | A | -1.5533 | Soluble |
| 142 | D | A | -2.8740 | Soluble |
| 143 | E | A | -2.7542 | Soluble |
| 144 | Q | A | 0.0000 | Buried |
| 145 | L | A | -2.2400 | Soluble |
| 146 | K | A | -2.8020 | Soluble |
| 147 | S | A | -1.7472 | Soluble |
| 148 | G | A | -1.4562 | Soluble |
| 149 | T | A | -1.1842 | 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 | -0.9487 | Soluble |
| 159 | F | A | 0.0000 | Buried |
| 160 | Y | A | -1.1564 | Soluble |
| 161 | P | A | -1.7288 | Soluble |
| 162 | R | A | -2.9247 | Soluble |
| 163 | E | A | -3.2490 | Soluble |
| 164 | A | A | -2.3232 | Soluble |
| 165 | K | A | -2.2627 | Soluble |
| 166 | V | A | -1.0618 | Soluble |
| 167 | Q | A | -0.7284 | Soluble |
| 168 | W | A | 0.0000 | Buried |
| 169 | K | A | -0.6243 | Soluble |
| 170 | V | A | 0.0000 | Buried |
| 171 | D | A | -1.9964 | Soluble |
| 172 | N | A | -1.3472 | Soluble |
| 173 | A | A | -0.2743 | Soluble |
| 174 | L | A | 0.6944 | Aggregation-prone |
| 175 | Q | A | -0.2212 | Soluble |
| 176 | S | A | -0.4276 | Soluble |
| 177 | G | A | -0.9247 | Soluble |
| 178 | N | A | -0.8785 | Soluble |
| 179 | S | A | -1.0391 | Soluble |
| 180 | Q | A | -1.2244 | Soluble |
| 181 | E | A | -1.5328 | Soluble |
| 182 | S | A | -0.8287 | Soluble |
| 183 | V | A | -0.8043 | Soluble |
| 184 | T | A | -1.1570 | Soluble |
| 185 | E | A | -2.3453 | Soluble |
| 186 | Q | A | 0.0000 | Buried |
| 187 | D | A | -1.8992 | Soluble |
| 188 | S | A | -2.0913 | Soluble |
| 189 | K | A | -2.5300 | Soluble |
| 190 | D | A | -1.9632 | 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 | -0.6048 | Soluble |
| 199 | L | A | 0.0000 | Buried |
| 200 | T | A | -0.3173 | Soluble |
| 201 | L | A | -0.6103 | Soluble |
| 202 | S | A | -0.9736 | Soluble |
| 203 | K | A | -1.9696 | Soluble |
| 204 | A | A | -1.7925 | Soluble |
| 205 | D | A | -2.3630 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | E | A | -3.1219 | Soluble |
| 208 | K | A | -3.4558 | Soluble |
| 209 | H | A | -2.9802 | Soluble |
| 210 | K | A | -3.0732 | Soluble |
| 211 | V | A | -1.6280 | Soluble |
| 212 | Y | A | 0.0000 | Buried |
| 213 | A | A | -0.8853 | Soluble |
| 214 | C | A | 0.0000 | Buried |
| 215 | E | A | -0.9751 | Soluble |
| 216 | V | A | 0.0000 | Buried |
| 217 | T | A | -1.2704 | Soluble |
| 218 | H | A | 0.0000 | Buried |
| 219 | Q | A | -1.7348 | Soluble |
| 220 | G | A | -0.4089 | Soluble |
| 221 | L | A | -0.2294 | Soluble |
| 222 | S | A | -0.4480 | Soluble |
| 223 | S | A | -0.4276 | Soluble |
| 224 | P | A | -0.6351 | Soluble |
| 225 | V | A | -0.0373 | Soluble |
| 226 | T | A | -0.4258 | Soluble |
| 227 | K | A | -0.9489 | Soluble |
| 228 | S | A | -0.9074 | Soluble |
| 229 | F | A | 0.0000 | Buried |
| 230 | N | A | -2.1158 | Soluble |
| 231 | R | A | -2.3133 | Soluble |
| 232 | G | A | -1.3162 | 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 | -0.6726 | 2.5754 | CSV PDB |
| 4.5 | -0.7086 | 2.5085 | CSV PDB |
| 5.0 | -0.7514 | 2.4284 | CSV PDB |
| 5.5 | -0.7926 | 2.3429 | CSV PDB |
| 6.0 | -0.822 | 2.2556 | CSV PDB |
| 6.5 | -0.831 | 2.1678 | CSV PDB |
| 7.0 | -0.8191 | 2.08 | CSV PDB |
| 7.5 | -0.7933 | 1.9931 | CSV PDB |
| 8.0 | -0.7601 | 2.0621 | CSV PDB |
| 8.5 | -0.7218 | 2.1593 | CSV PDB |
| 9.0 | -0.6784 | 2.261 | CSV PDB |