Calculation Parameters
| Chain Sequence(s) |
EVQLVESGGCLVQPGRSLRLSCAASGFTFDDYAMHWVRQAPGKGLEWVSAITWNSGHIDYADSVEGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAKVSYLSTASSLDYWGQGTLVTVSSASTKGPSVFPLAPSSKGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKCSNTKVDKKVEIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKCGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTCQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
input.pdb
|
| Selected Chain(s) | F (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 | E | F | -1.9301 | Soluble |
| 2 | V | F | -0.8747 | Soluble |
| 3 | Q | F | -0.6549 | Soluble |
| 4 | L | F | 0.0000 | Buried |
| 5 | V | F | 1.2101 | Aggregation-prone |
| 6 | E | F | 0.0000 | Buried |
| 7 | S | F | -0.1706 | Soluble |
| 8 | G | F | -0.8323 | Soluble |
| 9 | G | F | -0.2172 | Soluble |
| 11 | C | F | -0.0083 | Soluble |
| 12 | L | F | 0.1640 | Aggregation-prone |
| 13 | V | F | 0.0000 | Buried |
| 14 | Q | F | -1.4526 | Soluble |
| 15 | P | F | -1.9635 | Soluble |
| 16 | G | F | -2.0758 | Soluble |
| 17 | R | F | -2.6639 | Soluble |
| 18 | S | F | -2.0487 | Soluble |
| 19 | L | F | -1.4514 | Soluble |
| 20 | R | F | -2.0325 | Soluble |
| 21 | L | F | 0.0000 | Buried |
| 22 | S | F | -0.3772 | Soluble |
| 23 | C | F | 0.0000 | Buried |
| 24 | A | F | 0.0337 | Aggregation-prone |
| 25 | A | F | 0.0000 | Buried |
| 26 | S | F | -0.6235 | Soluble |
| 27 | G | F | -1.1859 | Soluble |
| 28 | F | F | -0.7820 | Soluble |
| 29 | T | F | -0.7332 | Soluble |
| 30 | F | F | 0.0000 | Buried |
| 35 | D | F | -2.1855 | Soluble |
| 36 | D | F | -1.0672 | Soluble |
| 37 | Y | F | 0.0729 | Aggregation-prone |
| 38 | A | F | 0.0000 | Buried |
| 39 | M | F | 0.0000 | Buried |
| 40 | H | F | 0.0000 | Buried |
| 41 | W | F | 0.0000 | Buried |
| 42 | V | F | 0.0000 | Buried |
| 43 | R | F | 0.0000 | Buried |
| 44 | Q | F | -0.8483 | Soluble |
| 45 | A | F | -1.2905 | Soluble |
| 46 | P | F | -1.1469 | Soluble |
| 47 | G | F | -1.4773 | Soluble |
| 48 | K | F | -2.3841 | Soluble |
| 49 | G | F | -1.6737 | Soluble |
| 50 | L | F | 0.0000 | Buried |
| 51 | E | F | -1.3036 | Soluble |
| 52 | W | F | 0.0000 | Buried |
| 53 | V | F | 0.0000 | Buried |
| 54 | S | F | 0.0000 | Buried |
| 55 | A | F | 0.0000 | Buried |
| 56 | I | F | 0.0000 | Buried |
| 57 | T | F | 0.0000 | Buried |
| 58 | W | F | -0.8789 | Soluble |
| 59 | N | F | -1.9542 | Soluble |
| 62 | S | F | -1.1233 | Soluble |
| 63 | G | F | -1.1923 | Soluble |
| 64 | H | F | -1.2107 | Soluble |
| 65 | I | F | -0.1379 | Soluble |
| 66 | D | F | -1.1619 | Soluble |
| 67 | Y | F | -1.0254 | Soluble |
| 68 | A | F | 0.0000 | Buried |
| 69 | D | F | -2.5700 | Soluble |
| 70 | S | F | -1.7823 | Soluble |
| 71 | V | F | 0.0000 | Buried |
| 72 | E | F | -2.9211 | Soluble |
| 74 | G | F | -1.8664 | Soluble |
| 75 | R | F | -1.5472 | Soluble |
| 76 | F | F | 0.0000 | Buried |
| 77 | T | F | -0.8874 | Soluble |
| 78 | I | F | 0.0000 | Buried |
| 79 | S | F | -0.3585 | Soluble |
| 80 | R | F | -1.0469 | Soluble |
| 81 | D | F | -1.4901 | Soluble |
| 82 | N | F | -1.8809 | Soluble |
| 83 | A | F | -1.3800 | Soluble |
| 84 | K | F | -2.1920 | Soluble |
| 85 | N | F | -1.6802 | Soluble |
| 86 | S | F | 0.0000 | Buried |
| 87 | L | F | 0.0000 | Buried |
| 88 | Y | F | -0.5798 | Soluble |
| 89 | L | F | 0.0000 | Buried |
| 90 | Q | F | -1.2727 | Soluble |
| 91 | M | F | 0.0000 | Buried |
| 92 | N | F | -2.2269 | Soluble |
| 93 | S | F | -1.7283 | Soluble |
| 94 | L | F | 0.0000 | Buried |
| 95 | R | F | -2.6571 | Soluble |
| 96 | A | F | -1.7632 | Soluble |
| 97 | E | F | -2.3172 | Soluble |
| 98 | D | F | 0.0000 | Buried |
| 99 | T | F | -0.8387 | Soluble |
| 100 | A | F | 0.0000 | Buried |
| 101 | V | F | 0.3108 | Aggregation-prone |
| 102 | Y | F | 0.0000 | Buried |
| 103 | Y | F | 0.0000 | Buried |
| 104 | C | F | 0.0000 | Buried |
| 105 | A | F | 0.0000 | Buried |
| 106 | K | F | 0.0000 | Buried |
| 107 | V | F | 0.0000 | Buried |
| 108 | S | F | 0.7955 | Aggregation-prone |
| 109 | Y | F | 1.6819 | Aggregation-prone |
| 110 | L | F | 1.9281 | Aggregation-prone |
| 111 | S | F | 0.9682 | Aggregation-prone |
| 112A | T | F | 0.0991 | Aggregation-prone |
| 112 | A | F | -0.1086 | Soluble |
| 113 | S | F | 0.0000 | Buried |
| 114 | S | F | 0.0000 | Buried |
| 115 | L | F | 0.0000 | Buried |
| 116 | D | F | -0.3397 | Soluble |
| 117 | Y | F | -0.1621 | Soluble |
| 118 | W | F | 0.0000 | Buried |
| 119 | G | F | 0.0000 | Buried |
| 120 | Q | F | -1.2229 | Soluble |
| 121 | G | F | 0.0000 | Buried |
| 122 | T | F | 0.1515 | Aggregation-prone |
| 123 | L | F | 0.3206 | Aggregation-prone |
| 124 | V | F | 0.0000 | Buried |
| 125 | T | F | -0.3591 | Soluble |
| 126 | V | F | 0.0000 | Buried |
| 127 | S | F | -0.9202 | Soluble |
| 128 | S | F | -0.6545 | Soluble |
| 129 | A | F | -0.4470 | Soluble |
| 130 | S | F | -0.6365 | Soluble |
| 131 | T | F | -0.9096 | Soluble |
| 132 | K | F | -1.8118 | Soluble |
| 133 | G | F | -1.6406 | Soluble |
| 134 | P | F | 0.0000 | Buried |
| 135 | S | F | -0.5188 | Soluble |
| 136 | V | F | 0.0000 | Buried |
| 137 | F | F | 0.0000 | Buried |
| 138 | P | F | -1.1484 | Soluble |
| 139 | L | F | 0.0000 | Buried |
| 140 | A | F | -0.8708 | Soluble |
| 141 | P | F | 0.0000 | Buried |
| 142 | S | F | -0.6001 | Soluble |
| 143 | S | F | -0.4824 | Soluble |
| 144 | K | F | -0.3770 | Soluble |
| 145 | G | F | -0.5784 | Soluble |
| 146 | T | F | -0.4475 | Soluble |
| 147 | A | F | -0.3376 | Soluble |
| 148 | A | F | 0.0000 | Buried |
| 149 | L | F | 0.0000 | Buried |
| 150 | G | F | 0.0000 | Buried |
| 151 | C | F | 0.0000 | Buried |
| 152 | L | F | 0.0000 | Buried |
| 153 | V | F | 0.0000 | Buried |
| 154 | K | F | 0.0000 | Buried |
| 155 | D | F | -0.4695 | Soluble |
| 156 | Y | F | 0.0000 | Buried |
| 157 | F | F | 0.0000 | Buried |
| 158 | P | F | 0.0000 | Buried |
| 159 | E | F | -0.3526 | Soluble |
| 160 | P | F | -0.5899 | Soluble |
| 161 | V | F | -0.5994 | Soluble |
| 162 | T | F | -0.4710 | Soluble |
| 163 | V | F | -0.2363 | Soluble |
| 164 | S | F | -0.3104 | Soluble |
| 165 | W | F | 0.0000 | Buried |
| 166 | N | F | -0.6182 | Soluble |
| 167 | S | F | -0.6345 | Soluble |
| 168 | G | F | -0.5750 | Soluble |
| 169 | A | F | -0.2592 | Soluble |
| 170 | L | F | -0.0465 | Soluble |
| 171 | T | F | -0.2479 | Soluble |
| 172 | S | F | -0.2716 | Soluble |
| 173 | G | F | -0.3047 | Soluble |
| 174 | V | F | 0.0053 | Aggregation-prone |
| 175 | H | F | -0.2512 | Soluble |
| 176 | T | F | -0.0269 | Soluble |
| 177 | F | F | 0.0000 | Buried |
| 178 | P | F | -0.0072 | Soluble |
| 179 | A | F | 0.2781 | Aggregation-prone |
| 180 | V | F | 0.5543 | Aggregation-prone |
| 181 | L | F | 1.3689 | Aggregation-prone |
| 182 | Q | F | 0.2557 | Aggregation-prone |
| 183 | S | F | -0.0279 | Soluble |
| 184 | S | F | -0.2473 | Soluble |
| 185 | G | F | -0.0703 | Soluble |
| 186 | L | F | 0.0472 | Aggregation-prone |
| 187 | Y | F | 0.4252 | Aggregation-prone |
| 188 | S | F | 0.0000 | Buried |
| 189 | L | F | 0.0000 | Buried |
| 190 | S | F | 0.0000 | Buried |
| 191 | S | F | 0.0000 | Buried |
| 192 | V | F | 0.0000 | Buried |
| 193 | V | F | 0.0000 | Buried |
| 194 | T | F | -0.2065 | Soluble |
| 195 | V | F | 0.0000 | Buried |
| 196 | P | F | -0.4392 | Soluble |
| 197 | S | F | -0.4947 | Soluble |
| 198 | S | F | -0.5309 | Soluble |
| 199 | S | F | -0.4881 | Soluble |
| 200 | L | F | -0.5860 | Soluble |
| 201 | G | F | -0.8768 | Soluble |
| 202 | T | F | -0.6270 | Soluble |
| 203 | Q | F | -0.9938 | Soluble |
| 204 | T | F | -0.9305 | Soluble |
| 205 | Y | F | 0.0000 | Buried |
| 206 | I | F | -1.0412 | Soluble |
| 207 | C | F | 0.0000 | Buried |
| 208 | N | F | -1.2218 | Soluble |
| 209 | V | F | 0.0000 | Buried |
| 210 | N | F | -1.6846 | Soluble |
| 211 | H | F | 0.0000 | Buried |
| 212 | K | F | -2.4228 | Soluble |
| 213 | C | F | -1.3167 | Soluble |
| 214 | S | F | -1.8253 | Soluble |
| 215 | N | F | -2.2835 | Soluble |
| 216 | T | F | -1.9842 | Soluble |
| 217 | K | F | -2.5296 | Soluble |
| 218 | V | F | -1.5322 | Soluble |
| 219 | D | F | -2.4062 | Soluble |
| 220 | K | F | -1.7164 | Soluble |
| 221 | K | F | -2.2150 | Soluble |
| 222 | V | F | 0.0000 | Buried |
| 223 | E | F | -2.1599 | Soluble |
| 2 | I | E | 0.9602 | Aggregation-prone |
| 3 | Q | E | -0.7544 | Soluble |
| 4 | M | E | -1.1461 | Soluble |
| 5 | T | E | -1.4673 | Soluble |
| 6 | Q | E | 0.0000 | Buried |
| 7 | S | E | -0.8085 | Soluble |
| 8 | P | E | -0.8383 | Soluble |
| 9 | S | E | -1.1064 | Soluble |
| 10 | S | E | -1.0489 | Soluble |
| 11 | L | E | -0.6868 | Soluble |
| 12 | S | E | -0.7541 | Soluble |
| 13 | A | E | -0.8387 | Soluble |
| 14 | S | E | -0.6336 | Soluble |
| 15 | V | E | 0.1691 | Aggregation-prone |
| 16 | G | E | -0.7496 | Soluble |
| 17 | D | E | -1.9078 | Soluble |
| 18 | R | E | -2.4537 | Soluble |
| 19 | V | E | 0.0000 | Buried |
| 20 | T | E | -0.6884 | Soluble |
| 21 | I | E | 0.0000 | Buried |
| 22 | T | E | -0.7819 | Soluble |
| 23 | C | E | 0.0000 | Buried |
| 24 | R | E | -2.6777 | Soluble |
| 25 | A | E | 0.0000 | Buried |
| 26 | S | E | -0.7657 | Soluble |
| 27 | Q | E | -1.1829 | Soluble |
| 28 | G | E | -1.6283 | Soluble |
| 29 | I | E | 0.0000 | Buried |
| 36 | R | E | -2.6623 | Soluble |
| 37 | N | E | -1.9550 | Soluble |
| 38 | Y | E | -0.9140 | Soluble |
| 39 | L | E | 0.0000 | Buried |
| 40 | A | E | 0.0000 | Buried |
| 41 | W | E | 0.0000 | Buried |
| 42 | Y | E | 0.0000 | Buried |
| 43 | Q | E | 0.0000 | Buried |
| 44 | Q | E | 0.0000 | Buried |
| 45 | K | E | -1.3930 | Soluble |
| 46 | C | E | -0.4227 | Soluble |
| 47 | G | E | -1.2570 | Soluble |
| 48 | K | E | -2.3773 | Soluble |
| 49 | A | E | -1.5471 | Soluble |
| 50 | P | E | 0.0000 | Buried |
| 51 | K | E | -1.5589 | Soluble |
| 52 | L | E | 0.0000 | Buried |
| 53 | L | E | 0.0000 | Buried |
| 54 | I | E | 0.0000 | Buried |
| 55 | Y | E | 0.1091 | Aggregation-prone |
| 56 | A | E | -0.4227 | Soluble |
| 57 | A | E | 0.0000 | Buried |
| 65 | S | E | -0.3617 | Soluble |
| 66 | T | E | -0.0537 | Soluble |
| 67 | L | E | 0.1063 | Aggregation-prone |
| 68 | Q | E | -0.4705 | Soluble |
| 69 | S | E | -0.4891 | Soluble |
| 70 | G | E | -0.6265 | Soluble |
| 71 | V | E | 0.0000 | Buried |
| 72 | P | E | -0.4686 | Soluble |
| 74 | S | E | -0.5356 | Soluble |
| 75 | R | E | -0.7901 | Soluble |
| 76 | F | E | 0.0000 | Buried |
| 77 | S | E | -0.3521 | Soluble |
| 78 | G | E | -0.2346 | Soluble |
| 79 | S | E | -0.7028 | Soluble |
| 80 | G | E | -1.4144 | Soluble |
| 83 | S | E | -1.6312 | Soluble |
| 84 | G | E | -2.1036 | Soluble |
| 85 | T | E | -2.1128 | Soluble |
| 86 | D | E | -2.4480 | Soluble |
| 87 | F | E | 0.0000 | Buried |
| 88 | T | E | -0.7136 | Soluble |
| 89 | L | E | 0.0000 | Buried |
| 90 | T | E | -0.8177 | Soluble |
| 91 | I | E | 0.0000 | Buried |
| 92 | S | E | -1.6214 | Soluble |
| 93 | S | E | -1.2525 | Soluble |
| 94 | L | E | 0.0000 | Buried |
| 95 | Q | E | -0.9284 | Soluble |
| 96 | P | E | -1.9330 | Soluble |
| 97 | E | E | -2.6036 | Soluble |
| 98 | D | E | 0.0000 | Buried |
| 99 | V | E | -1.3435 | Soluble |
| 100 | A | E | 0.0000 | Buried |
| 101 | T | E | 0.0000 | Buried |
| 102 | Y | E | 0.0000 | Buried |
| 103 | Y | E | 0.0000 | Buried |
| 104 | C | E | 0.0000 | Buried |
| 105 | Q | E | 0.0000 | Buried |
| 106 | R | E | 0.0000 | Buried |
| 107 | Y | E | 0.0000 | Buried |
| 108 | N | E | -1.4957 | Soluble |
| 109 | R | E | -1.7914 | Soluble |
| 114 | A | E | -0.7924 | Soluble |
| 115 | P | E | -0.7694 | Soluble |
| 116 | Y | E | 0.0000 | Buried |
| 117 | T | E | -0.4164 | Soluble |
| 118 | F | E | 0.0000 | Buried |
| 119 | G | E | 0.0000 | Buried |
| 120 | Q | E | -1.9427 | Soluble |
| 121 | G | E | 0.0000 | Buried |
| 122 | T | E | 0.0000 | Buried |
| 123 | K | E | -1.9915 | Soluble |
| 124 | V | E | 0.0000 | Buried |
| 125 | E | E | -1.1246 | Soluble |
| 126 | I | E | 0.0000 | Buried |
| 127 | K | E | -0.9948 | Soluble |
| 128 | R | E | -0.5975 | Soluble |
| 129 | T | E | 0.2850 | Aggregation-prone |
| 130 | V | E | 1.2480 | Aggregation-prone |
| 131 | A | E | 0.4594 | Aggregation-prone |
| 132 | A | E | -0.0231 | Soluble |
| 133 | P | E | -0.3214 | Soluble |
| 134 | S | E | -0.3682 | Soluble |
| 135 | V | E | 0.0000 | Buried |
| 136 | F | E | -0.1737 | Soluble |
| 137 | I | E | 0.0000 | Buried |
| 138 | F | E | 0.0000 | Buried |
| 139 | P | E | -0.8514 | Soluble |
| 140 | P | E | -0.8438 | Soluble |
| 141 | S | E | -1.4634 | Soluble |
| 142 | D | E | -2.7599 | Soluble |
| 143 | E | E | -2.4539 | Soluble |
| 144 | Q | E | 0.0000 | Buried |
| 145 | L | E | -2.1709 | Soluble |
| 146 | K | E | -2.7360 | Soluble |
| 147 | S | E | -1.6954 | Soluble |
| 148 | G | E | -1.3732 | Soluble |
| 149 | T | E | -0.9610 | Soluble |
| 150 | A | E | 0.0000 | Buried |
| 151 | S | E | 0.0000 | Buried |
| 152 | V | E | 0.0000 | Buried |
| 153 | V | E | 0.0000 | Buried |
| 154 | C | E | 0.0000 | Buried |
| 155 | L | E | 0.0000 | Buried |
| 156 | L | E | 0.0000 | Buried |
| 157 | N | E | 0.0000 | Buried |
| 158 | N | E | -1.0865 | Soluble |
| 159 | F | E | 0.0000 | Buried |
| 160 | Y | E | 0.0000 | Buried |
| 161 | P | E | -1.6719 | Soluble |
| 162 | R | E | -2.7490 | Soluble |
| 163 | E | E | -3.2534 | Soluble |
| 164 | A | E | -2.3343 | Soluble |
| 165 | K | E | -2.0765 | Soluble |
| 166 | V | E | -1.0906 | Soluble |
| 167 | Q | E | -0.4986 | Soluble |
| 168 | W | E | 0.0000 | Buried |
| 169 | K | E | -0.3935 | Soluble |
| 170 | V | E | 0.0000 | Buried |
| 171 | D | E | -1.6036 | Soluble |
| 172 | N | E | -1.1610 | Soluble |
| 173 | A | E | -0.1296 | Soluble |
| 174 | L | E | 0.7177 | Aggregation-prone |
| 175 | Q | E | -0.1072 | Soluble |
| 176 | S | E | -0.6160 | Soluble |
| 177 | G | E | -1.0269 | Soluble |
| 178 | N | E | -0.8274 | Soluble |
| 179 | S | E | -1.4665 | Soluble |
| 180 | Q | E | -2.0742 | Soluble |
| 181 | E | E | -2.2981 | Soluble |
| 182 | S | E | -0.9609 | Soluble |
| 183 | V | E | -0.3970 | Soluble |
| 184 | T | E | -0.0416 | Soluble |
| 185 | C | E | 0.1482 | Aggregation-prone |
| 186 | Q | E | 0.0000 | Buried |
| 187 | D | E | -1.6945 | Soluble |
| 188 | S | E | -2.2706 | Soluble |
| 189 | K | E | -3.1368 | Soluble |
| 190 | D | E | -2.8210 | Soluble |
| 191 | S | E | 0.0000 | Buried |
| 192 | T | E | 0.0000 | Buried |
| 193 | Y | E | -0.9627 | Soluble |
| 194 | S | E | 0.0000 | Buried |
| 195 | L | E | 0.0000 | Buried |
| 196 | S | E | 0.0000 | Buried |
| 197 | S | E | 0.0000 | Buried |
| 198 | T | E | -0.9620 | Soluble |
| 199 | L | E | 0.0000 | Buried |
| 200 | T | E | -0.5616 | Soluble |
| 201 | L | E | -0.5525 | Soluble |
| 202 | S | E | -1.4514 | Soluble |
| 203 | K | E | -2.4486 | Soluble |
| 204 | A | E | -2.2595 | Soluble |
| 205 | D | E | -3.0632 | Soluble |
| 206 | Y | E | 0.0000 | Buried |
| 207 | E | E | -4.1597 | Soluble |
| 208 | K | E | -3.8810 | Soluble |
| 209 | H | E | -3.5886 | Soluble |
| 210 | K | E | -3.7202 | Soluble |
| 211 | V | E | -2.0234 | Soluble |
| 212 | Y | E | 0.0000 | Buried |
| 213 | A | E | 0.0000 | Buried |
| 214 | C | E | 0.0000 | Buried |
| 215 | E | E | -0.5344 | Soluble |
| 216 | V | E | 0.0000 | Buried |
| 217 | T | E | -1.1806 | Soluble |
| 218 | H | E | 0.0000 | Buried |
| 219 | Q | E | -1.7148 | Soluble |
| 220 | G | E | -0.2440 | Soluble |
| 221 | L | E | -0.1517 | Soluble |
| 222 | S | E | -0.4461 | Soluble |
| 223 | S | E | -0.4536 | Soluble |
| 224 | P | E | -0.5239 | Soluble |
| 225 | V | E | 0.0645 | Aggregation-prone |
| 226 | T | E | -0.4132 | Soluble |
| 227 | K | E | -0.8160 | Soluble |
| 228 | S | E | -1.2411 | Soluble |
| 229 | F | E | 0.0000 | Buried |
| 230 | N | E | -2.8231 | Soluble |
| 231 | R | E | -3.5112 | Soluble |
| 232 | G | E | -3.3338 | 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 | -0.7565 | 2.4015 | CSV PDB |
| 4.5 | -0.7976 | 2.3739 | CSV PDB |
| 5.0 | -0.8471 | 2.3335 | CSV PDB |
| 5.5 | -0.8958 | 2.2861 | CSV PDB |
| 6.0 | -0.9321 | 2.2357 | CSV PDB |
| 6.5 | -0.9463 | 2.1844 | CSV PDB |
| 7.0 | -0.9385 | 2.1328 | CSV PDB |
| 7.5 | -0.9168 | 2.0813 | CSV PDB |
| 8.0 | -0.8882 | 2.0301 | CSV PDB |
| 8.5 | -0.8543 | 1.9803 | CSV PDB |
| 9.0 | -0.8142 | 1.9337 | CSV PDB |