Calculation Parameters
| Chain Sequence(s) |
QVQLQQSGAEVKKPGSSVRVSCKASGGTFNNNAINWVRQAPGQGLEWMGGIIPMFGTAKYSQNFQGRVAITADESTGTASMELSSLRSEDTAVYYCARSRDLLLFPHHALSPWGRGTMVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEELTQDPAVSVALGQTVRVTCQGDSLRSYYASWYQQKPGQAPVLVIYGKNNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCSSRDSSGNHWVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT
input.pdb
|
| Selected Chain(s) | D (Heavy), E (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 | D | -0.4813 | Soluble |
| 2 | V | D | 0.9116 | Aggregation-prone |
| 3 | Q | D | -1.1955 | Soluble |
| 4 | L | D | 0.0000 | Buried |
| 5 | Q | D | -2.3663 | Soluble |
| 6 | Q | D | -1.6775 | Soluble |
| 7 | S | D | -1.3702 | Soluble |
| 8 | G | D | -1.0315 | Soluble |
| 9 | A | D | -0.7770 | Soluble |
| 11 | E | D | -1.1413 | Soluble |
| 12 | V | D | -0.6765 | Soluble |
| 13 | K | D | -1.5009 | Soluble |
| 14 | K | D | -2.3165 | Soluble |
| 15 | P | D | -2.0536 | Soluble |
| 16 | G | D | -1.4382 | Soluble |
| 17 | S | D | -1.1850 | Soluble |
| 18 | S | D | -1.3210 | Soluble |
| 19 | V | D | 0.0000 | Buried |
| 20 | R | D | -2.2590 | Soluble |
| 21 | V | D | 0.0000 | Buried |
| 22 | S | D | -1.1821 | Soluble |
| 23 | C | D | 0.0000 | Buried |
| 24 | K | D | -2.0325 | Soluble |
| 25 | A | D | 0.0000 | Buried |
| 26 | S | D | -1.0228 | Soluble |
| 27 | G | D | -0.9026 | Soluble |
| 28 | G | D | -1.3835 | Soluble |
| 29 | T | D | -1.5085 | Soluble |
| 30 | F | D | 0.0000 | Buried |
| 35 | N | D | -1.6783 | Soluble |
| 36 | N | D | -0.1859 | Soluble |
| 37 | N | D | 0.0000 | Buried |
| 38 | A | D | 0.0000 | Buried |
| 39 | I | D | 0.0000 | Buried |
| 40 | N | D | 0.0000 | Buried |
| 41 | W | D | 0.0000 | Buried |
| 42 | V | D | 0.0000 | Buried |
| 43 | R | D | -0.6431 | Soluble |
| 44 | Q | D | -0.8173 | Soluble |
| 45 | A | D | -1.0877 | Soluble |
| 46 | P | D | -1.1141 | Soluble |
| 47 | G | D | -1.3168 | Soluble |
| 48 | Q | D | -1.8393 | Soluble |
| 49 | G | D | -1.4172 | Soluble |
| 50 | L | D | 0.0000 | Buried |
| 51 | E | D | -1.1707 | Soluble |
| 52 | W | D | 0.0000 | Buried |
| 53 | M | D | 0.0000 | Buried |
| 54 | G | D | 0.0000 | Buried |
| 55 | G | D | 0.0000 | Buried |
| 56 | I | D | 0.2952 | Aggregation-prone |
| 57 | I | D | 0.3092 | Aggregation-prone |
| 58 | P | D | -0.2000 | Soluble |
| 59 | M | D | 0.7051 | Aggregation-prone |
| 62 | F | D | 1.4331 | Aggregation-prone |
| 63 | G | D | 0.2847 | Aggregation-prone |
| 64 | T | D | -0.1003 | Soluble |
| 65 | A | D | -0.3493 | Soluble |
| 66 | K | D | -1.2614 | Soluble |
| 67 | Y | D | -0.6210 | Soluble |
| 68 | S | D | -1.3145 | Soluble |
| 69 | Q | D | -2.1704 | Soluble |
| 70 | N | D | -2.2840 | Soluble |
| 71 | F | D | 0.0000 | Buried |
| 72 | Q | D | -2.0973 | Soluble |
| 74 | G | D | -1.4912 | Soluble |
| 75 | R | D | -1.1332 | Soluble |
| 76 | V | D | -0.6787 | Soluble |
| 77 | A | D | -0.5610 | Soluble |
| 78 | I | D | 0.0000 | Buried |
| 79 | T | D | -0.5513 | Soluble |
| 80 | A | D | -0.9343 | Soluble |
| 81 | D | D | -2.1136 | Soluble |
| 82 | E | D | -2.3942 | Soluble |
| 83 | S | D | -1.4549 | Soluble |
| 84 | T | D | -1.3840 | Soluble |
| 85 | G | D | 0.0000 | Buried |
| 86 | T | D | -1.5897 | Soluble |
| 87 | A | D | 0.0000 | Buried |
| 88 | S | D | 0.0000 | Buried |
| 89 | M | D | 0.0000 | Buried |
| 90 | E | D | -1.4877 | Soluble |
| 91 | L | D | 0.0000 | Buried |
| 92 | S | D | -1.0364 | Soluble |
| 93 | S | D | -1.0812 | Soluble |
| 94 | L | D | 0.0000 | Buried |
| 95 | R | D | -2.6478 | Soluble |
| 96 | S | D | -2.1543 | Soluble |
| 97 | E | D | -2.4249 | Soluble |
| 98 | D | D | 0.0000 | Buried |
| 99 | T | D | -0.9969 | Soluble |
| 100 | A | D | 0.0000 | Buried |
| 101 | V | D | -0.0073 | Soluble |
| 102 | Y | D | 0.0000 | Buried |
| 103 | Y | D | 0.0000 | Buried |
| 104 | C | D | 0.0000 | Buried |
| 105 | A | D | 0.0000 | Buried |
| 106 | R | D | -0.2368 | Soluble |
| 107 | S | D | 0.0000 | Buried |
| 108 | R | D | 0.2024 | Aggregation-prone |
| 109 | D | D | 0.0000 | Buried |
| 110 | L | D | 2.5181 | Aggregation-prone |
| 111 | L | D | 3.0144 | Aggregation-prone |
| 111A | L | D | 2.7812 | Aggregation-prone |
| 112B | F | D | 1.8442 | Aggregation-prone |
| 112A | P | D | 1.2474 | Aggregation-prone |
| 112 | H | D | 0.0588 | Aggregation-prone |
| 113 | H | D | 0.0046 | Aggregation-prone |
| 114 | A | D | 0.0000 | Buried |
| 115 | L | D | 0.0000 | Buried |
| 116 | S | D | 0.0682 | Aggregation-prone |
| 117 | P | D | -0.0240 | Soluble |
| 118 | W | D | -0.3707 | Soluble |
| 119 | G | D | 0.0000 | Buried |
| 120 | R | D | -2.3729 | Soluble |
| 121 | G | D | 0.0000 | Buried |
| 122 | T | D | 0.0000 | Buried |
| 123 | M | D | -0.2356 | Soluble |
| 124 | V | D | 0.0000 | Buried |
| 125 | T | D | 0.0000 | Buried |
| 126 | V | D | 0.0000 | Buried |
| 127 | S | D | -1.2506 | Soluble |
| 128 | S | D | -1.0000 | Soluble |
| 129 | A | D | -0.5824 | Soluble |
| 130 | S | D | -0.7116 | Soluble |
| 131 | T | D | -0.6807 | Soluble |
| 132 | K | D | -1.3737 | Soluble |
| 133 | G | D | -1.4731 | Soluble |
| 134 | P | D | -0.7031 | Soluble |
| 135 | S | D | -0.4504 | Soluble |
| 136 | V | D | 0.0000 | Buried |
| 137 | F | D | 0.0000 | Buried |
| 138 | P | D | -1.1339 | Soluble |
| 139 | L | D | 0.0000 | Buried |
| 140 | A | D | -0.7431 | Soluble |
| 141 | P | D | -0.4244 | Soluble |
| 142 | S | D | -0.2456 | Soluble |
| 143 | T | D | -0.2448 | Soluble |
| 144 | A | D | -0.1839 | Soluble |
| 145 | A | D | -0.0718 | Soluble |
| 146 | L | D | 0.0000 | Buried |
| 147 | G | D | 0.0000 | Buried |
| 148 | C | D | 0.0000 | Buried |
| 149 | L | D | 0.0000 | Buried |
| 150 | V | D | 0.0000 | Buried |
| 151 | K | D | -0.3740 | Soluble |
| 152 | D | D | -0.5323 | Soluble |
| 153 | Y | D | 0.0000 | Buried |
| 154 | F | D | -0.2310 | Soluble |
| 155 | P | D | 0.0000 | Buried |
| 156 | E | D | -0.6589 | Soluble |
| 157 | P | D | -0.7316 | Soluble |
| 158 | V | D | -0.6026 | Soluble |
| 159 | T | D | -0.5075 | Soluble |
| 160 | V | D | -0.3069 | Soluble |
| 161 | S | D | -0.3742 | Soluble |
| 162 | W | D | 0.0000 | Buried |
| 163 | N | D | -0.6978 | Soluble |
| 164 | S | D | -0.6260 | Soluble |
| 165 | G | D | -0.4420 | Soluble |
| 166 | A | D | -0.1775 | Soluble |
| 167 | L | D | 0.0534 | Aggregation-prone |
| 168 | T | D | -0.1507 | Soluble |
| 169 | S | D | -0.2511 | Soluble |
| 170 | G | D | -0.2943 | Soluble |
| 171 | V | D | 0.1403 | Aggregation-prone |
| 172 | H | D | -0.1300 | Soluble |
| 173 | T | D | 0.0001 | Aggregation-prone |
| 174 | F | D | 0.0000 | Buried |
| 175 | P | D | -0.0988 | Soluble |
| 176 | A | D | 0.2295 | Aggregation-prone |
| 177 | V | D | 0.0000 | Buried |
| 178 | L | D | 1.1517 | Aggregation-prone |
| 179 | Q | D | 0.1766 | Aggregation-prone |
| 180 | S | D | -0.1983 | Soluble |
| 181 | S | D | -0.2181 | Soluble |
| 182 | G | D | 0.0714 | Aggregation-prone |
| 183 | L | D | 0.0880 | Aggregation-prone |
| 184 | Y | D | 0.3342 | Aggregation-prone |
| 185 | S | D | 0.0000 | Buried |
| 186 | L | D | 0.0000 | Buried |
| 187 | S | D | 0.0000 | Buried |
| 188 | S | D | 0.0000 | Buried |
| 189 | V | D | 0.1584 | Aggregation-prone |
| 190 | V | D | 0.0000 | Buried |
| 191 | T | D | -0.1904 | Soluble |
| 192 | V | D | 0.0000 | Buried |
| 193 | P | D | -0.4208 | Soluble |
| 194 | S | D | -0.3956 | Soluble |
| 195 | S | D | -0.4633 | Soluble |
| 196 | S | D | -0.4864 | Soluble |
| 197 | L | D | -0.6451 | Soluble |
| 198 | G | D | -0.9434 | Soluble |
| 199 | T | D | -0.6078 | Soluble |
| 200 | Q | D | -1.1106 | Soluble |
| 201 | T | D | -1.1540 | Soluble |
| 202 | Y | D | 0.0000 | Buried |
| 203 | I | D | -1.2880 | Soluble |
| 204 | C | D | 0.0000 | Buried |
| 205 | N | D | -1.3942 | Soluble |
| 206 | V | D | 0.0000 | Buried |
| 207 | N | D | -1.6670 | Soluble |
| 208 | H | D | 0.0000 | Buried |
| 209 | K | D | -2.7511 | Soluble |
| 210 | P | D | -1.6990 | Soluble |
| 211 | S | D | -1.7717 | Soluble |
| 212 | N | D | -2.5694 | Soluble |
| 213 | T | D | -2.0321 | Soluble |
| 214 | K | D | -2.5539 | Soluble |
| 215 | V | D | -1.4483 | Soluble |
| 216 | D | D | -2.5708 | Soluble |
| 217 | K | D | -2.1425 | Soluble |
| 218 | K | D | -2.6890 | Soluble |
| 219 | V | D | 0.0000 | Buried |
| 220 | E | D | -2.3956 | Soluble |
| 3 | E | E | -2.2549 | Soluble |
| 4 | L | E | 0.0000 | Buried |
| 5 | T | E | -1.2985 | Soluble |
| 6 | Q | E | -1.3508 | Soluble |
| 7 | D | E | -2.3167 | Soluble |
| 8 | P | E | -1.7637 | Soluble |
| 9 | A | E | -1.3861 | Soluble |
| 11 | V | E | -1.0374 | Soluble |
| 12 | S | E | -0.2639 | Soluble |
| 13 | V | E | 0.0000 | Buried |
| 14 | A | E | -0.0824 | Soluble |
| 15 | L | E | 0.0106 | Aggregation-prone |
| 16 | G | E | -0.8888 | Soluble |
| 17 | Q | E | -1.3920 | Soluble |
| 18 | T | E | -1.1354 | Soluble |
| 19 | V | E | 0.0000 | Buried |
| 20 | R | E | -1.8893 | Soluble |
| 21 | V | E | 0.0000 | Buried |
| 22 | T | E | -1.0586 | Soluble |
| 23 | C | E | 0.0000 | Buried |
| 24 | Q | E | -1.9108 | Soluble |
| 25 | G | E | -2.1568 | Soluble |
| 26 | D | E | -2.7517 | Soluble |
| 27 | S | E | 0.0000 | Buried |
| 28 | L | E | 0.0000 | Buried |
| 29 | R | E | -2.6671 | Soluble |
| 36 | S | E | -1.3722 | Soluble |
| 37 | Y | E | -0.6036 | Soluble |
| 38 | Y | E | -0.0555 | Soluble |
| 39 | A | E | 0.0000 | Buried |
| 40 | S | E | 0.0000 | Buried |
| 41 | W | E | 0.0000 | Buried |
| 42 | Y | E | 0.0000 | Buried |
| 43 | Q | E | -0.4446 | Soluble |
| 44 | Q | E | 0.0000 | Buried |
| 45 | K | E | -1.5014 | Soluble |
| 46 | P | E | -1.2933 | Soluble |
| 47 | G | E | -1.3493 | Soluble |
| 48 | Q | E | -1.5660 | Soluble |
| 49 | A | E | -0.8858 | Soluble |
| 50 | P | E | 0.0000 | Buried |
| 51 | V | E | 0.9492 | Aggregation-prone |
| 52 | L | E | 0.0000 | Buried |
| 53 | V | E | 0.0000 | Buried |
| 54 | I | E | 0.0000 | Buried |
| 55 | Y | E | -0.9414 | Soluble |
| 56 | G | E | -1.3211 | Soluble |
| 57 | K | E | -2.4239 | Soluble |
| 65 | N | E | -2.4101 | Soluble |
| 66 | N | E | -2.0289 | Soluble |
| 67 | R | E | -2.2416 | Soluble |
| 68 | P | E | -0.7375 | Soluble |
| 69 | S | E | -0.7224 | Soluble |
| 70 | G | E | -0.8848 | Soluble |
| 71 | I | E | -0.7443 | Soluble |
| 72 | P | E | -1.3103 | Soluble |
| 74 | D | E | -2.2277 | Soluble |
| 75 | R | E | -1.3439 | Soluble |
| 76 | F | E | 0.0000 | Buried |
| 77 | S | E | -1.6229 | Soluble |
| 78 | G | E | -1.4136 | Soluble |
| 79 | S | E | -1.1406 | Soluble |
| 80 | S | E | -1.2000 | Soluble |
| 83 | S | E | -1.0768 | Soluble |
| 84 | G | E | -1.7201 | Soluble |
| 85 | N | E | -2.0860 | Soluble |
| 86 | T | E | -1.3298 | Soluble |
| 87 | A | E | 0.0000 | Buried |
| 88 | S | E | 0.0000 | Buried |
| 89 | L | E | 0.0000 | Buried |
| 90 | T | E | -0.9058 | Soluble |
| 91 | I | E | 0.0000 | Buried |
| 92 | T | E | -1.2686 | Soluble |
| 93 | G | E | -1.0567 | Soluble |
| 94 | A | E | 0.0000 | Buried |
| 95 | Q | E | -1.5547 | Soluble |
| 96 | A | E | -1.3791 | Soluble |
| 97 | E | E | -2.4015 | Soluble |
| 98 | D | E | 0.0000 | Buried |
| 99 | E | E | -1.4888 | Soluble |
| 100 | A | E | 0.0000 | Buried |
| 101 | D | E | -2.0115 | Soluble |
| 102 | Y | E | 0.0000 | Buried |
| 103 | Y | E | 0.0000 | Buried |
| 104 | C | E | 0.0000 | Buried |
| 105 | S | E | 0.0000 | Buried |
| 106 | S | E | 0.0000 | Buried |
| 107 | R | E | -0.7960 | Soluble |
| 108 | D | E | -1.4743 | Soluble |
| 109 | S | E | -1.5692 | Soluble |
| 110 | S | E | -0.7696 | Soluble |
| 113 | G | E | -0.7320 | Soluble |
| 114 | N | E | -0.9254 | Soluble |
| 115 | H | E | -0.8558 | Soluble |
| 116 | W | E | 0.0000 | Buried |
| 117 | V | E | -0.5018 | Soluble |
| 118 | F | E | -0.4558 | Soluble |
| 119 | G | E | 0.0000 | Buried |
| 120 | G | E | -1.7143 | Soluble |
| 121 | G | E | -1.6291 | Soluble |
| 122 | T | E | 0.0000 | Buried |
| 123 | E | E | -2.6057 | Soluble |
| 124 | L | E | 0.0000 | Buried |
| 125 | T | E | -0.3217 | Soluble |
| 126 | V | E | 0.0000 | Buried |
| 127 | L | E | 0.8250 | Aggregation-prone |
| 128 | G | E | -0.1447 | Soluble |
| 129 | Q | E | -0.5110 | Soluble |
| 130 | P | E | -1.0615 | Soluble |
| 131 | K | E | -2.1169 | Soluble |
| 132 | A | E | -1.2778 | Soluble |
| 133 | A | E | -0.8046 | Soluble |
| 134 | P | E | 0.0000 | Buried |
| 135 | S | E | -0.5749 | Soluble |
| 136 | V | E | 0.0000 | Buried |
| 137 | T | E | -0.4231 | Soluble |
| 138 | L | E | 0.0000 | Buried |
| 139 | F | E | 0.0000 | Buried |
| 140 | P | E | -0.0823 | Soluble |
| 141 | P | E | -0.5086 | Soluble |
| 142 | S | E | -0.8717 | Soluble |
| 143 | S | E | -1.2439 | Soluble |
| 144 | E | E | -2.1565 | Soluble |
| 145 | E | E | 0.0000 | Buried |
| 146 | L | E | -1.9283 | Soluble |
| 147 | Q | E | -2.2660 | Soluble |
| 148 | A | E | -1.8838 | Soluble |
| 149 | N | E | -2.7329 | Soluble |
| 150 | K | E | -2.7300 | Soluble |
| 151 | A | E | 0.0000 | Buried |
| 152 | T | E | 0.0000 | Buried |
| 153 | L | E | 0.0000 | Buried |
| 154 | V | E | 0.0000 | Buried |
| 155 | C | E | 0.0000 | Buried |
| 156 | L | E | 0.0000 | Buried |
| 157 | I | E | 0.0000 | Buried |
| 158 | S | E | -0.6121 | Soluble |
| 159 | D | E | -1.2142 | Soluble |
| 160 | F | E | 0.0000 | Buried |
| 161 | Y | E | -1.0571 | Soluble |
| 162 | P | E | -0.7903 | Soluble |
| 163 | G | E | -0.4897 | Soluble |
| 164 | A | E | -0.2182 | Soluble |
| 165 | V | E | -0.1229 | Soluble |
| 166 | T | E | -0.1153 | Soluble |
| 167 | V | E | 0.0497 | Aggregation-prone |
| 168 | A | E | -0.3772 | Soluble |
| 169 | W | E | 0.0000 | Buried |
| 170 | K | E | -0.9353 | Soluble |
| 171 | A | E | 0.0000 | Buried |
| 172 | D | E | -1.3210 | Soluble |
| 173 | S | E | -0.8627 | Soluble |
| 174 | S | E | -0.7995 | Soluble |
| 175 | P | E | -0.8917 | Soluble |
| 176 | V | E | -0.8053 | Soluble |
| 177 | K | E | -1.6035 | Soluble |
| 178 | A | E | -0.7961 | Soluble |
| 179 | G | E | -0.5572 | Soluble |
| 180 | V | E | -0.2271 | Soluble |
| 181 | E | E | -0.3048 | Soluble |
| 182 | T | E | -0.0239 | Soluble |
| 183 | T | E | 0.0000 | Buried |
| 184 | T | E | 0.0320 | Aggregation-prone |
| 185 | P | E | -0.2808 | Soluble |
| 186 | S | E | -0.5513 | Soluble |
| 187 | K | E | -1.1474 | Soluble |
| 188 | Q | E | -1.2462 | Soluble |
| 189 | S | E | -1.3801 | Soluble |
| 190 | N | E | -1.9910 | Soluble |
| 191 | N | E | -1.6476 | Soluble |
| 192 | K | E | -1.5324 | Soluble |
| 193 | Y | E | -0.8034 | Soluble |
| 194 | A | E | 0.0000 | Buried |
| 195 | A | E | 0.0000 | Buried |
| 196 | S | E | 0.0000 | Buried |
| 197 | S | E | 0.0000 | Buried |
| 198 | Y | E | 0.0000 | Buried |
| 199 | L | E | 0.0000 | Buried |
| 200 | S | E | -0.5555 | Soluble |
| 201 | L | E | 0.0000 | Buried |
| 202 | T | E | -1.9088 | Soluble |
| 203 | P | E | -2.4568 | Soluble |
| 204 | E | E | -3.1277 | Soluble |
| 205 | Q | E | -2.3707 | Soluble |
| 206 | W | E | 0.0000 | Buried |
| 207 | K | E | -3.0661 | Soluble |
| 208 | S | E | -2.3826 | Soluble |
| 209 | H | E | -2.3746 | Soluble |
| 210 | R | E | -2.5195 | Soluble |
| 211 | S | E | -1.4927 | Soluble |
| 212 | Y | E | 0.0000 | Buried |
| 213 | S | E | -1.0023 | Soluble |
| 214 | C | E | 0.0000 | Buried |
| 215 | Q | E | -1.0870 | Soluble |
| 216 | V | E | 0.0000 | Buried |
| 217 | T | E | -0.7331 | Soluble |
| 218 | H | E | 0.0000 | Buried |
| 219 | E | E | -2.2526 | Soluble |
| 220 | G | E | -1.3840 | Soluble |
| 221 | S | E | -0.8540 | Soluble |
| 222 | T | E | -0.7988 | Soluble |
| 223 | V | E | -0.8687 | Soluble |
| 224 | E | E | -2.1433 | Soluble |
| 225 | K | E | -1.6650 | Soluble |
| 226 | T | E | -0.9351 | Soluble |
| 227 | V | E | -0.2887 | Soluble |
| 228 | A | E | -0.8111 | Soluble |
| 229 | P | E | -0.9619 | Soluble |
| 230 | T | E | -0.4772 | 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 | -0.6236 | 4.2175 | CSV PDB |
| 4.5 | -0.6634 | 4.2184 | CSV PDB |
| 5.0 | -0.7109 | 4.2208 | CSV PDB |
| 5.5 | -0.7565 | 4.2265 | CSV PDB |
| 6.0 | -0.7895 | 4.2365 | CSV PDB |
| 6.5 | -0.802 | 4.2478 | CSV PDB |
| 7.0 | -0.7936 | 4.2558 | CSV PDB |
| 7.5 | -0.7702 | 4.2596 | CSV PDB |
| 8.0 | -0.7381 | 4.261 | CSV PDB |
| 8.5 | -0.6998 | 4.2615 | CSV PDB |
| 9.0 | -0.6562 | 4.2617 | CSV PDB |