Calculation Parameters
| Chain Sequence(s) |
QVQLVQSGAEVKKPGASVKVSCKASGYYTEAYYIHWVRQAPGQGLEWMGRIDPATGNTKYAPRLQDRVTMTRDTSTSTVYMELSSLRSEDTAVYYCASLYSLPVYWGQGTTVTVSSASTKGPSVFPLAPCSSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSQTYTCNVDHKPSNTKVDKTVERVVMTQSPLSLPVTLGQPASISCKSSQSLLYSDAKTYLNWFQQRPGQSPRRLIYQISRLDPGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCLQGTHYPVLFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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 | -0.9392 | Soluble |
| 2 | V | B | 0.0000 | Buried |
| 3 | Q | B | -1.3360 | Soluble |
| 4 | L | B | 0.0000 | Buried |
| 5 | V | B | 0.4597 | Aggregation-prone |
| 6 | Q | B | 0.0000 | Buried |
| 7 | S | B | -0.5996 | Soluble |
| 8 | G | B | -0.6822 | Soluble |
| 9 | A | B | -0.4176 | Soluble |
| 11 | E | B | -0.9664 | Soluble |
| 12 | V | B | -0.3161 | Soluble |
| 13 | K | B | -1.5602 | Soluble |
| 14 | K | B | -2.3890 | Soluble |
| 15 | P | B | -2.0206 | Soluble |
| 16 | G | B | -1.5746 | Soluble |
| 17 | A | B | -1.2586 | Soluble |
| 18 | S | B | -1.3260 | Soluble |
| 19 | V | B | 0.0000 | Buried |
| 20 | K | B | -1.9858 | Soluble |
| 21 | V | B | 0.0000 | Buried |
| 22 | S | B | -0.5328 | Soluble |
| 23 | C | B | 0.0000 | Buried |
| 24 | K | B | -0.8358 | Soluble |
| 25 | A | B | 0.0000 | Buried |
| 26 | S | B | -0.6210 | Soluble |
| 27 | G | B | -0.3649 | Soluble |
| 28 | Y | B | 1.0651 | Aggregation-prone |
| 29 | Y | B | 1.1603 | Aggregation-prone |
| 30 | T | B | -0.2130 | Soluble |
| 35 | E | B | -0.9603 | Soluble |
| 36 | A | B | 0.0223 | Aggregation-prone |
| 37 | Y | B | 0.3702 | Aggregation-prone |
| 38 | Y | B | 0.1788 | Aggregation-prone |
| 39 | I | 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 | -0.3520 | Soluble |
| 44 | Q | B | -0.7382 | Soluble |
| 45 | A | B | -1.1443 | Soluble |
| 46 | P | B | -1.1500 | Soluble |
| 47 | G | B | -1.2496 | Soluble |
| 48 | Q | B | -2.0375 | Soluble |
| 49 | G | B | -1.3042 | Soluble |
| 50 | L | B | 0.0000 | Buried |
| 51 | E | B | 0.0000 | Buried |
| 52 | W | B | 0.0000 | Buried |
| 53 | M | B | 0.0000 | Buried |
| 54 | G | B | 0.0000 | Buried |
| 55 | R | B | -0.8655 | Soluble |
| 56 | I | B | 0.0000 | Buried |
| 57 | D | B | -1.1154 | Soluble |
| 58 | P | B | -1.1771 | Soluble |
| 59 | A | B | -0.8605 | Soluble |
| 62 | T | B | -0.9201 | Soluble |
| 63 | G | B | -1.1664 | Soluble |
| 64 | N | B | -1.7819 | Soluble |
| 65 | T | B | -1.3324 | Soluble |
| 66 | K | B | -1.4559 | Soluble |
| 67 | Y | B | -1.2394 | Soluble |
| 68 | A | B | 0.0000 | Buried |
| 69 | P | B | -1.7134 | Soluble |
| 70 | R | B | -2.5625 | Soluble |
| 71 | L | B | 0.0000 | Buried |
| 72 | Q | B | -2.8533 | Soluble |
| 74 | D | B | -2.9063 | Soluble |
| 75 | R | B | -2.0073 | Soluble |
| 76 | V | B | 0.0000 | Buried |
| 77 | T | B | -1.0351 | Soluble |
| 78 | M | B | 0.0000 | Buried |
| 79 | T | B | -0.8203 | Soluble |
| 80 | R | B | -1.3753 | Soluble |
| 81 | D | B | -1.2214 | Soluble |
| 82 | T | B | -1.0145 | Soluble |
| 83 | S | B | -0.5652 | Soluble |
| 84 | T | B | -0.6846 | Soluble |
| 85 | S | B | -1.0069 | Soluble |
| 86 | T | B | 0.0000 | Buried |
| 87 | V | B | 0.0000 | Buried |
| 88 | Y | B | -0.6456 | Soluble |
| 89 | M | B | 0.0000 | Buried |
| 90 | E | B | -1.2524 | Soluble |
| 91 | L | B | 0.0000 | Buried |
| 92 | S | B | -1.2415 | Soluble |
| 93 | S | B | -1.3140 | Soluble |
| 94 | L | B | 0.0000 | Buried |
| 95 | R | B | -3.0041 | Soluble |
| 96 | S | B | -2.3645 | Soluble |
| 97 | E | B | -2.6416 | Soluble |
| 98 | D | B | 0.0000 | Buried |
| 99 | T | B | -1.0739 | Soluble |
| 100 | A | B | 0.0000 | Buried |
| 101 | V | B | 0.1043 | 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 | S | B | 0.0000 | Buried |
| 107 | L | B | 0.0000 | Buried |
| 108 | Y | B | 1.4655 | Aggregation-prone |
| 109 | S | B | 1.3154 | Aggregation-prone |
| 114 | L | B | 1.4596 | Aggregation-prone |
| 115 | P | B | 0.7090 | Aggregation-prone |
| 116 | V | B | 0.7723 | Aggregation-prone |
| 117 | Y | B | 0.0160 | Aggregation-prone |
| 118 | W | B | -0.1308 | Soluble |
| 119 | G | B | 0.0000 | Buried |
| 120 | Q | B | -1.0387 | Soluble |
| 121 | G | B | -0.4480 | Soluble |
| 122 | T | B | 0.0000 | Buried |
| 123 | T | B | -0.2038 | Soluble |
| 124 | V | B | 0.0000 | Buried |
| 125 | T | B | 0.0000 | Buried |
| 126 | V | B | 0.0000 | Buried |
| 127 | S | B | -1.1806 | Soluble |
| 128 | S | B | -0.9298 | Soluble |
| 129 | A | B | -0.6008 | Soluble |
| 130 | S | B | -0.6250 | Soluble |
| 131 | T | B | -0.6461 | Soluble |
| 132 | K | B | -1.2265 | Soluble |
| 133 | G | B | -1.4740 | Soluble |
| 134 | P | B | 0.0000 | Buried |
| 135 | S | B | -0.2666 | Soluble |
| 136 | V | B | 0.0000 | Buried |
| 137 | F | B | 0.0000 | Buried |
| 138 | P | B | -0.8542 | Soluble |
| 139 | L | B | 0.0000 | Buried |
| 140 | A | B | -0.7989 | Soluble |
| 141 | P | B | -0.4159 | Soluble |
| 142 | C | B | -0.3889 | Soluble |
| 143 | S | B | -0.4744 | Soluble |
| 144 | S | B | -1.1844 | Soluble |
| 145 | E | B | -2.1195 | Soluble |
| 146 | S | B | -1.3381 | Soluble |
| 147 | T | B | -0.9167 | Soluble |
| 148 | A | B | 0.0000 | Buried |
| 149 | A | B | 0.0000 | Buried |
| 150 | L | B | 0.0000 | Buried |
| 151 | G | B | 0.0000 | Buried |
| 152 | C | B | 0.0000 | Buried |
| 153 | L | B | 0.0000 | Buried |
| 154 | V | B | 0.0000 | Buried |
| 155 | K | B | 0.0000 | Buried |
| 156 | D | B | -0.6314 | Soluble |
| 157 | Y | B | 0.0000 | Buried |
| 158 | F | B | 0.0000 | Buried |
| 159 | P | B | -0.9089 | Soluble |
| 160 | E | B | -1.0547 | Soluble |
| 161 | P | B | -1.0371 | Soluble |
| 162 | V | B | -0.8286 | Soluble |
| 163 | T | B | -0.6239 | Soluble |
| 164 | V | B | -0.4188 | Soluble |
| 165 | S | B | -0.5361 | Soluble |
| 166 | W | B | 0.0000 | Buried |
| 167 | N | B | -0.9071 | Soluble |
| 168 | S | B | -0.8553 | Soluble |
| 169 | G | B | -0.6477 | Soluble |
| 170 | A | B | -0.2916 | Soluble |
| 171 | L | B | -0.0639 | Soluble |
| 172 | T | B | -0.1664 | Soluble |
| 173 | S | B | -0.1511 | Soluble |
| 174 | G | B | -0.1628 | Soluble |
| 175 | V | B | 0.1815 | Aggregation-prone |
| 176 | H | B | -0.3315 | Soluble |
| 177 | T | B | 0.0185 | Aggregation-prone |
| 178 | F | B | 0.0000 | Buried |
| 179 | P | B | -0.3987 | Soluble |
| 180 | A | B | -0.0012 | Soluble |
| 181 | V | B | 0.2131 | Aggregation-prone |
| 182 | L | B | 0.8283 | Aggregation-prone |
| 183 | Q | B | 0.0360 | Aggregation-prone |
| 184 | S | B | -0.1346 | Soluble |
| 185 | S | B | -0.2897 | Soluble |
| 186 | G | B | -0.0624 | Soluble |
| 187 | L | B | -0.1472 | Soluble |
| 188 | Y | B | 0.0000 | Buried |
| 189 | S | B | 0.0000 | Buried |
| 190 | L | B | 0.0000 | Buried |
| 191 | S | B | 0.0000 | Buried |
| 192 | S | B | 0.0000 | Buried |
| 193 | V | B | 0.0000 | Buried |
| 194 | V | B | 0.0000 | Buried |
| 195 | T | B | -0.1356 | Soluble |
| 196 | V | B | 0.0000 | Buried |
| 197 | P | B | -0.8947 | Soluble |
| 198 | S | B | -1.2910 | Soluble |
| 199 | S | B | -0.6146 | Soluble |
| 200 | Q | B | -1.8874 | Soluble |
| 201 | T | B | -1.3349 | Soluble |
| 202 | Y | B | -1.1015 | Soluble |
| 203 | T | B | -0.9322 | Soluble |
| 204 | C | B | 0.0000 | Buried |
| 205 | N | B | -1.4970 | Soluble |
| 206 | V | B | 0.0000 | Buried |
| 207 | D | B | -1.9306 | Soluble |
| 208 | H | B | 0.0000 | Buried |
| 209 | K | B | -2.8288 | Soluble |
| 210 | P | B | -1.7667 | Soluble |
| 211 | S | B | -1.8426 | Soluble |
| 212 | N | B | -2.6101 | Soluble |
| 213 | T | B | -2.0768 | Soluble |
| 214 | K | B | -2.6407 | Soluble |
| 215 | V | B | -1.4294 | Soluble |
| 216 | D | B | -2.1880 | Soluble |
| 217 | K | B | -1.4162 | Soluble |
| 218 | T | B | -1.0138 | Soluble |
| 219 | V | B | 0.0000 | Buried |
| 220 | E | B | -2.9680 | Soluble |
| 221 | R | B | -2.9801 | Soluble |
| 2 | V | A | 1.2245 | Aggregation-prone |
| 3 | V | A | 1.6222 | Aggregation-prone |
| 4 | M | A | 0.0000 | Buried |
| 5 | T | A | -0.4308 | Soluble |
| 6 | Q | A | 0.0000 | Buried |
| 7 | S | A | -0.2530 | Soluble |
| 8 | P | A | 0.1848 | Aggregation-prone |
| 9 | L | A | 0.8752 | Aggregation-prone |
| 10 | S | A | 0.1306 | Aggregation-prone |
| 11 | L | A | -0.0487 | Soluble |
| 12 | P | A | -0.4819 | Soluble |
| 13 | V | A | 0.0000 | Buried |
| 14 | T | A | -0.8475 | Soluble |
| 15 | L | A | -0.5149 | Soluble |
| 16 | G | A | -1.3785 | Soluble |
| 17 | Q | A | -1.8164 | Soluble |
| 18 | P | A | -1.8732 | Soluble |
| 19 | A | A | 0.0000 | Buried |
| 20 | S | A | -0.7304 | Soluble |
| 21 | I | A | 0.0000 | Buried |
| 22 | S | A | -0.9015 | Soluble |
| 23 | C | A | 0.0000 | Buried |
| 24 | K | A | -1.9771 | Soluble |
| 25 | S | A | 0.0000 | Buried |
| 26 | S | A | -0.3798 | Soluble |
| 27 | Q | A | -0.7399 | Soluble |
| 28 | S | A | -0.3446 | Soluble |
| 29 | L | A | 0.0000 | Buried |
| 30 | L | A | 1.3124 | Aggregation-prone |
| 31 | Y | A | 1.2096 | Aggregation-prone |
| 32 | S | A | -0.0041 | Soluble |
| 34 | D | A | -0.8754 | Soluble |
| 35 | A | A | -0.3961 | Soluble |
| 36 | K | A | -0.5510 | Soluble |
| 37 | T | A | 0.0000 | Buried |
| 38 | Y | A | 0.5858 | Aggregation-prone |
| 39 | L | A | 0.0000 | Buried |
| 40 | N | A | -0.2160 | Soluble |
| 41 | W | A | 0.0000 | Buried |
| 42 | F | A | 0.0000 | Buried |
| 43 | Q | A | 0.0000 | Buried |
| 44 | Q | A | -0.7685 | Soluble |
| 45 | R | A | -1.2381 | Soluble |
| 46 | P | A | -1.1451 | Soluble |
| 47 | G | A | -1.1786 | Soluble |
| 48 | Q | A | -1.2430 | Soluble |
| 49 | S | A | -0.9399 | Soluble |
| 50 | P | A | 0.0000 | Buried |
| 51 | R | A | -0.7547 | Soluble |
| 52 | R | A | 0.0000 | Buried |
| 53 | L | A | 0.0000 | Buried |
| 54 | I | A | 0.0000 | Buried |
| 55 | Y | A | -0.1098 | Soluble |
| 56 | Q | A | -0.7929 | Soluble |
| 57 | I | A | -0.8008 | Soluble |
| 65 | S | A | -1.0545 | Soluble |
| 66 | R | A | -1.6848 | Soluble |
| 67 | L | A | -0.6752 | Soluble |
| 68 | D | A | 0.0000 | Buried |
| 69 | P | A | -0.2688 | Soluble |
| 70 | G | A | -0.6371 | Soluble |
| 71 | V | A | -0.5632 | Soluble |
| 72 | P | A | -1.0441 | Soluble |
| 74 | D | A | -1.9468 | Soluble |
| 75 | R | A | -2.1133 | Soluble |
| 76 | F | A | 0.0000 | Buried |
| 77 | S | A | -1.2065 | Soluble |
| 78 | G | A | -0.8767 | Soluble |
| 79 | S | A | -1.1253 | Soluble |
| 80 | G | A | -1.1768 | Soluble |
| 83 | S | A | -0.8788 | Soluble |
| 84 | G | A | -0.4799 | Soluble |
| 85 | T | A | -1.5110 | Soluble |
| 86 | D | A | -2.6061 | Soluble |
| 87 | F | A | 0.0000 | Buried |
| 88 | T | A | -1.1260 | Soluble |
| 89 | L | A | 0.0000 | Buried |
| 90 | K | A | -1.6366 | Soluble |
| 91 | I | A | 0.0000 | Buried |
| 92 | S | A | -2.1704 | Soluble |
| 93 | R | A | -2.8076 | Soluble |
| 94 | V | A | 0.0000 | Buried |
| 95 | E | A | -2.3811 | Soluble |
| 96 | A | A | -1.6851 | Soluble |
| 97 | E | A | -2.2745 | Soluble |
| 98 | D | A | 0.0000 | Buried |
| 99 | V | A | -1.0798 | Soluble |
| 100 | G | A | 0.0000 | Buried |
| 101 | V | A | -0.2841 | Soluble |
| 102 | Y | A | 0.0000 | Buried |
| 103 | Y | A | 0.0000 | Buried |
| 104 | C | A | 0.0000 | Buried |
| 105 | L | A | 0.0000 | Buried |
| 106 | Q | A | 0.0000 | Buried |
| 107 | G | A | 0.4591 | Aggregation-prone |
| 108 | T | A | 0.7181 | Aggregation-prone |
| 109 | H | A | 0.7214 | Aggregation-prone |
| 114 | Y | A | 1.0673 | Aggregation-prone |
| 115 | P | A | 0.6352 | Aggregation-prone |
| 116 | V | A | 0.0000 | Buried |
| 117 | L | A | 0.6602 | Aggregation-prone |
| 118 | F | A | 0.0000 | Buried |
| 119 | G | A | 0.0000 | Buried |
| 120 | Q | A | -1.2329 | Soluble |
| 121 | G | A | 0.0000 | Buried |
| 122 | T | A | 0.0000 | Buried |
| 123 | R | A | -0.8518 | Soluble |
| 124 | L | A | 0.0000 | Buried |
| 125 | E | A | 0.0000 | Buried |
| 126 | I | A | 0.0000 | Buried |
| 127 | K | A | -0.8474 | Soluble |
| 128 | R | A | -0.8242 | Soluble |
| 129 | T | A | -0.1053 | Soluble |
| 130 | V | A | 0.3512 | Aggregation-prone |
| 131 | A | A | 0.0636 | Aggregation-prone |
| 132 | A | A | -0.0999 | Soluble |
| 133 | P | A | 0.0000 | Buried |
| 134 | S | A | -0.1625 | Soluble |
| 135 | V | A | 0.0000 | Buried |
| 136 | F | A | -0.0231 | Soluble |
| 137 | I | A | 0.0000 | Buried |
| 138 | F | A | 0.0000 | Buried |
| 139 | P | A | -0.2585 | Soluble |
| 140 | P | A | -0.8116 | Soluble |
| 141 | S | A | -1.6682 | Soluble |
| 142 | D | A | -2.9966 | Soluble |
| 143 | E | A | -3.0968 | Soluble |
| 144 | Q | A | 0.0000 | Buried |
| 145 | L | A | -2.4025 | Soluble |
| 146 | K | A | -2.9353 | Soluble |
| 147 | S | A | -1.8525 | Soluble |
| 148 | G | A | -1.3085 | Soluble |
| 149 | T | A | -1.0626 | 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 | -0.8952 | Soluble |
| 159 | F | A | 0.0000 | Buried |
| 160 | Y | A | 0.0000 | Buried |
| 161 | P | A | 0.0000 | Buried |
| 162 | R | A | -1.9685 | Soluble |
| 163 | E | A | -2.7458 | Soluble |
| 164 | A | A | -2.1209 | Soluble |
| 165 | K | A | -2.2530 | Soluble |
| 166 | V | A | -1.1116 | Soluble |
| 167 | Q | A | -0.5108 | Soluble |
| 168 | W | A | 0.0000 | Buried |
| 169 | K | A | -0.4757 | Soluble |
| 170 | V | A | 0.0000 | Buried |
| 171 | D | A | -1.8311 | Soluble |
| 172 | N | A | -1.4602 | Soluble |
| 173 | A | A | -0.3048 | Soluble |
| 174 | L | A | 0.7343 | Aggregation-prone |
| 175 | Q | A | -0.2389 | Soluble |
| 176 | S | A | -0.7377 | Soluble |
| 177 | G | A | -1.3349 | Soluble |
| 178 | N | A | -1.6844 | Soluble |
| 179 | S | A | -1.7343 | Soluble |
| 180 | Q | A | -2.0268 | Soluble |
| 181 | E | A | -2.1637 | Soluble |
| 182 | S | A | -0.9220 | Soluble |
| 183 | V | A | -0.8416 | Soluble |
| 184 | T | A | -1.1037 | Soluble |
| 185 | E | A | -2.2125 | Soluble |
| 186 | Q | A | -1.8748 | Soluble |
| 187 | D | A | -2.1539 | Soluble |
| 188 | S | A | -2.2167 | Soluble |
| 189 | K | A | -2.3673 | Soluble |
| 190 | D | A | -1.9564 | Soluble |
| 191 | S | A | -1.7337 | 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 | -0.9202 | Soluble |
| 199 | L | A | 0.0000 | Buried |
| 200 | T | A | -0.5715 | Soluble |
| 201 | L | A | -0.8165 | Soluble |
| 202 | S | A | -1.0965 | Soluble |
| 203 | K | A | -2.1090 | Soluble |
| 204 | A | A | -1.9339 | Soluble |
| 205 | D | A | -2.5884 | Soluble |
| 206 | Y | A | 0.0000 | Buried |
| 207 | E | A | -3.4601 | Soluble |
| 208 | K | A | -3.5476 | Soluble |
| 209 | H | A | -2.7619 | Soluble |
| 210 | K | A | -2.7092 | Soluble |
| 211 | V | A | -1.0035 | Soluble |
| 212 | Y | A | 0.0000 | Buried |
| 213 | A | A | -0.6301 | Soluble |
| 214 | C | A | 0.0000 | Buried |
| 215 | E | A | -0.6682 | Soluble |
| 216 | V | A | 0.0000 | Buried |
| 217 | T | A | -1.1546 | Soluble |
| 218 | H | A | 0.0000 | Buried |
| 219 | Q | A | -1.6565 | Soluble |
| 220 | G | A | -0.4475 | Soluble |
| 221 | L | A | -0.1932 | Soluble |
| 222 | S | A | -0.4132 | Soluble |
| 223 | S | A | -0.3959 | Soluble |
| 224 | P | A | -0.4547 | Soluble |
| 225 | V | A | 0.1122 | Aggregation-prone |
| 226 | T | A | -0.4395 | Soluble |
| 227 | K | A | -0.7782 | Soluble |
| 228 | S | A | -0.5930 | Soluble |
| 229 | F | A | 0.0000 | Buried |
| 230 | N | A | -1.5218 | Soluble |
| 231 | R | A | -1.9263 | Soluble |
| 232 | G | A | -1.7859 | Soluble |
| 233 | E | A | -2.0927 | Soluble |
| 234 | C | A | -0.4975 | 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 | -0.6371 | 2.4578 | CSV PDB |
| 4.5 | -0.6849 | 2.4578 | CSV PDB |
| 5.0 | -0.7432 | 2.4578 | CSV PDB |
| 5.5 | -0.8013 | 2.4578 | CSV PDB |
| 6.0 | -0.8476 | 2.4578 | CSV PDB |
| 6.5 | -0.8724 | 2.4578 | CSV PDB |
| 7.0 | -0.8735 | 2.4578 | CSV PDB |
| 7.5 | -0.857 | 2.4578 | CSV PDB |
| 8.0 | -0.8303 | 2.4578 | CSV PDB |
| 8.5 | -0.7964 | 2.4577 | CSV PDB |
| 9.0 | -0.7556 | 2.4573 | CSV PDB |