| Chain sequence(s) |
A: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:25)
[INFO] Main: Simulation completed successfully. (00:05:31)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | E | A | -1.6330 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.6721 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.4756 | |
| 6 | Q | A | -0.5396 | |
| 7 | S | A | -0.6977 | |
| 8 | P | A | -0.4063 | |
| 9 | A | A | -0.5007 | |
| 10 | T | A | -0.6328 | |
| 11 | L | A | -0.4406 | |
| 12 | S | A | -0.6855 | |
| 13 | L | A | -1.1384 | |
| 14 | S | A | -1.5511 | |
| 15 | P | A | -1.8877 | |
| 16 | G | A | -1.8747 | |
| 17 | E | A | -2.5525 | |
| 18 | R | A | -2.8219 | |
| 19 | A | A | 0.0000 | |
| 20 | T | A | -0.6577 | |
| 21 | L | A | 0.0000 | |
| 22 | S | A | -0.8097 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.0377 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.1355 | |
| 27 | K | A | -2.4555 | |
| 28 | G | A | -1.7915 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.7082 | |
| 31 | T | A | -0.4148 | |
| 32 | S | A | -0.2687 | |
| 33 | G | A | -0.2627 | |
| 34 | Y | A | 0.1496 | |
| 35 | S | A | 0.0000 | |
| 36 | Y | A | -0.4047 | |
| 37 | L | A | 0.0000 | |
| 38 | H | A | 0.0000 | |
| 39 | W | A | 0.0000 | |
| 40 | Y | A | 0.0000 | |
| 41 | Q | A | 0.0000 | |
| 42 | Q | A | 0.0000 | |
| 43 | K | A | -1.6448 | |
| 44 | P | A | -1.3863 | |
| 45 | G | A | -1.5750 | |
| 46 | Q | A | -1.9948 | |
| 47 | A | A | -1.2265 | |
| 48 | P | A | 0.0000 | |
| 49 | R | A | -1.0269 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | Y | A | 0.5557 | |
| 54 | L | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | 0.2221 | |
| 57 | Y | A | 0.9625 | |
| 58 | L | A | 0.7810 | |
| 59 | E | A | -0.0163 | |
| 60 | S | A | -0.3354 | |
| 61 | G | A | -0.5353 | |
| 62 | V | A | 0.0000 | |
| 63 | P | A | -0.2536 | |
| 64 | A | A | -0.2088 | |
| 65 | R | A | -0.7795 | |
| 66 | F | A | 0.0000 | |
| 67 | S | A | -0.1479 | |
| 68 | G | A | -0.0918 | |
| 69 | S | A | -0.6400 | |
| 70 | G | A | -1.1395 | |
| 71 | S | A | -0.9842 | |
| 72 | G | A | -1.1669 | |
| 73 | T | A | -1.8375 | |
| 74 | D | A | -2.3412 | |
| 75 | F | A | 0.0000 | |
| 76 | T | A | -0.7857 | |
| 77 | L | A | 0.0000 | |
| 78 | T | A | -0.6814 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | -1.6973 | |
| 81 | S | A | -1.8735 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -2.3024 | |
| 84 | P | A | -2.2508 | |
| 85 | E | A | -2.3982 | |
| 86 | D | A | 0.0000 | |
| 87 | F | A | -1.4747 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | 0.0000 | |
| 90 | Y | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | Q | A | 0.0000 | |
| 94 | H | A | 0.0000 | |
| 95 | S | A | -0.9980 | |
| 96 | R | A | -2.2021 | |
| 97 | D | A | -1.9519 | |
| 98 | L | A | -0.8723 | |
| 99 | P | A | -1.2766 | |
| 100 | L | A | 0.0000 | |
| 101 | T | A | -0.3406 | |
| 102 | F | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | G | A | -0.7212 | |
| 105 | G | A | -0.8690 | |
| 106 | T | A | 0.0000 | |
| 107 | K | A | -1.5999 | |
| 108 | V | A | 0.0000 | |
| 109 | E | A | -1.4515 | |
| 110 | I | A | 0.0000 | |
| 111 | K | A | -1.1905 | |
| 112 | R | A | -0.9938 | |
| 113 | T | A | -0.0930 | |
| 114 | V | A | 0.2412 | |
| 115 | A | A | -0.1336 | |
| 116 | A | A | -0.1779 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | -0.2012 | |
| 119 | V | A | 0.0000 | |
| 120 | F | A | -0.0574 | |
| 121 | I | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | P | A | -0.2573 | |
| 124 | P | A | 0.0000 | |
| 125 | S | A | -1.2365 | |
| 126 | D | A | -2.5023 | |
| 127 | E | A | -2.0850 | |
| 128 | Q | A | 0.0000 | |
| 129 | L | A | -2.0744 | |
| 130 | K | A | -2.5770 | |
| 131 | S | A | -1.6692 | |
| 132 | G | A | -1.3553 | |
| 133 | T | A | -0.9844 | |
| 134 | A | A | 0.0000 | |
| 135 | S | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | C | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | N | A | -0.9510 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | P | A | -1.7179 | |
| 146 | R | A | -3.1133 | |
| 147 | E | A | -3.2464 | |
| 148 | A | A | -2.2737 | |
| 149 | K | A | -2.2648 | |
| 150 | V | A | -1.1684 | |
| 151 | Q | A | -0.7786 | |
| 152 | W | A | 0.0000 | |
| 153 | K | A | -0.7157 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -1.5755 | |
| 156 | N | A | -1.3939 | |
| 157 | A | A | -0.2397 | |
| 158 | L | A | 0.6785 | |
| 159 | Q | A | -0.3520 | |
| 160 | S | A | -0.7082 | |
| 161 | G | A | -1.2991 | |
| 162 | N | A | -1.6768 | |
| 163 | S | A | -1.5318 | |
| 164 | Q | A | -1.4698 | |
| 165 | E | A | -1.9062 | |
| 166 | S | A | -0.9932 | |
| 167 | V | A | -0.8115 | |
| 168 | T | A | -1.1523 | |
| 169 | E | A | -2.2892 | |
| 170 | Q | A | 0.0000 | |
| 171 | D | A | -2.0599 | |
| 172 | S | A | -2.3631 | |
| 173 | K | A | -2.7300 | |
| 174 | D | A | -2.0115 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | Y | A | -1.3527 | |
| 178 | S | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | T | A | -0.7672 | |
| 183 | L | A | 0.0000 | |
| 184 | T | A | -0.5955 | |
| 185 | L | A | -0.9263 | |
| 186 | S | A | -1.1783 | |
| 187 | K | A | -2.2219 | |
| 188 | A | A | -1.9910 | |
| 189 | D | A | -2.7164 | |
| 190 | Y | A | 0.0000 | |
| 191 | E | A | -3.2916 | |
| 192 | K | A | -3.4506 | |
| 193 | H | A | -2.5872 | |
| 194 | K | A | -2.3246 | |
| 195 | V | A | -0.8596 | |
| 196 | Y | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | C | A | 0.0000 | |
| 199 | E | A | -0.9199 | |
| 200 | V | A | 0.0000 | |
| 201 | T | A | -1.1751 | |
| 202 | H | A | 0.0000 | |
| 203 | Q | A | -1.6085 | |
| 204 | G | A | -0.4500 | |
| 205 | L | A | -0.2411 | |
| 206 | S | A | -0.4799 | |
| 207 | S | A | -0.4053 | |
| 208 | P | A | -0.4835 | |
| 209 | V | A | -0.0204 | |
| 210 | T | A | -0.5091 | |
| 211 | K | A | -0.7401 | |
| 212 | S | A | -0.6048 | |
| 213 | F | A | 0.0000 | |
| 214 | N | A | -1.3772 | |
| 215 | R | A | -1.8584 | |
| 216 | G | A | -1.6562 | |
| 217 | E | A | -2.0514 | |
| 218 | C | A | -0.5817 | |
| 1 | Q | B | -1.4303 | |
| 2 | V | B | -0.7883 | |
| 3 | Q | B | -0.9692 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.5181 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.3614 | |
| 8 | G | B | -0.4999 | |
| 9 | V | B | -0.4445 | |
| 10 | E | B | -0.8260 | |
| 11 | V | B | -0.4434 | |
| 12 | K | B | -1.1885 | |
| 13 | K | B | -1.9144 | |
| 14 | P | B | -1.3488 | |
| 15 | G | B | -1.3008 | |
| 16 | A | B | -1.4373 | |
| 17 | S | B | -1.8259 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.2930 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.4740 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.4619 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.6623 | |
| 26 | G | B | -0.9499 | |
| 27 | Y | B | -0.4959 | |
| 28 | T | B | -0.3958 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -0.7107 | |
| 31 | N | B | -1.2958 | |
| 32 | Y | B | -0.2915 | |
| 33 | Y | B | -0.1408 | |
| 34 | M | B | 0.0000 | |
| 35 | Y | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.6289 | |
| 40 | A | B | -1.0209 | |
| 41 | P | B | -1.0964 | |
| 42 | G | B | -1.2237 | |
| 43 | Q | B | -1.7452 | |
| 44 | G | B | -1.1524 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.5724 | |
| 47 | W | B | 0.0000 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | N | B | 0.0000 | |
| 53 | P | B | -0.8768 | |
| 54 | S | B | -1.1012 | |
| 55 | N | B | -1.6583 | |
| 56 | G | B | -1.1799 | |
| 57 | G | B | -1.1267 | |
| 58 | T | B | -0.9694 | |
| 59 | N | B | -1.5461 | |
| 60 | F | B | -1.6731 | |
| 61 | N | B | -2.0893 | |
| 62 | E | B | -3.4331 | |
| 63 | K | B | -3.1798 | |
| 64 | F | B | 0.0000 | |
| 65 | K | B | -3.2959 | |
| 66 | N | B | -2.7452 | |
| 67 | R | B | -2.3229 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -1.1595 | |
| 70 | L | B | 0.0000 | |
| 71 | T | B | -0.3959 | |
| 72 | T | B | -0.6564 | |
| 73 | D | B | -0.9363 | |
| 74 | S | B | -0.7138 | |
| 75 | S | B | -0.5523 | |
| 76 | T | B | -0.5728 | |
| 77 | T | B | -0.5873 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.6439 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -1.9082 | |
| 83 | L | B | 0.0000 | |
| 84 | K | B | -2.3940 | |
| 85 | S | B | -1.6184 | |
| 86 | L | B | 0.0000 | |
| 87 | Q | B | -1.0041 | |
| 88 | F | B | 0.3362 | |
| 89 | D | B | -1.1291 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.2704 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1164 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | R | B | -0.1638 | |
| 100 | D | B | -0.3016 | |
| 101 | Y | B | 0.0066 | |
| 102 | R | B | -0.9835 | |
| 103 | F | B | 0.6583 | |
| 104 | D | B | 0.3744 | |
| 105 | M | B | 0.4801 | |
| 106 | G | B | 0.0000 | |
| 107 | F | B | 0.0000 | |
| 108 | D | B | -0.3190 | |
| 109 | Y | B | 0.0202 | |
| 110 | W | B | -0.2160 | |
| 111 | G | B | 0.0000 | |
| 112 | Q | B | -1.2453 | |
| 113 | G | B | -0.6290 | |
| 114 | T | B | 0.0000 | |
| 115 | T | B | -0.1547 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | S | B | -0.6136 | |
| 120 | S | B | -0.6887 | |
| 121 | A | B | -0.4986 | |
| 122 | S | B | -0.5276 | |
| 123 | T | B | -0.4635 | |
| 124 | K | B | -1.0074 | |
| 125 | G | B | -1.4144 | |
| 126 | P | B | -0.6554 | |
| 127 | S | B | -0.3580 | |
| 128 | V | B | 0.0000 | |
| 129 | F | B | 0.0000 | |
| 130 | P | B | -0.8608 | |
| 131 | L | B | 0.0000 | |
| 132 | A | B | -0.1522 | |
| 133 | P | B | -0.2272 | |
| 134 | C | B | -0.5560 | |
| 135 | S | B | -0.7724 | |
| 136 | R | B | -1.2614 | |
| 137 | S | B | -1.1062 | |
| 138 | T | B | -1.1617 | |
| 139 | S | B | -1.3831 | |
| 140 | E | B | -1.9329 | |
| 141 | S | B | -1.0689 | |
| 142 | T | B | -0.7335 | |
| 143 | A | B | 0.0000 | |
| 144 | A | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | G | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | V | B | 0.0000 | |
| 150 | K | B | -0.2586 | |
| 151 | D | B | -0.3280 | |
| 152 | Y | B | 0.0000 | |
| 153 | F | B | -0.1323 | |
| 154 | P | B | 0.0000 | |
| 155 | E | B | -0.5981 | |
| 156 | P | B | -0.7636 | |
| 157 | V | B | 0.0000 | |
| 158 | T | B | -0.8604 | |
| 159 | V | B | -0.5159 | |
| 160 | S | B | -0.5268 | |
| 161 | W | B | 0.0000 | |
| 162 | N | B | -1.0125 | |
| 163 | S | B | -0.7436 | |
| 164 | G | B | -0.5634 | |
| 165 | A | B | -0.2426 | |
| 166 | L | B | -0.0663 | |
| 167 | T | B | -0.1803 | |
| 168 | S | B | -0.1958 | |
| 169 | G | B | -0.2433 | |
| 170 | V | B | 0.1691 | |
| 171 | H | B | -0.3049 | |
| 172 | T | B | 0.0209 | |
| 173 | F | B | 0.0000 | |
| 174 | P | B | -0.3755 | |
| 175 | A | B | 0.1435 | |
| 176 | V | B | 0.4258 | |
| 177 | L | B | 1.1782 | |
| 178 | Q | B | 0.2438 | |
| 179 | S | B | -0.1027 | |
| 180 | S | B | -0.2439 | |
| 181 | G | B | 0.0169 | |
| 182 | L | B | 0.1903 | |
| 183 | Y | B | 0.4435 | |
| 184 | S | B | 0.0000 | |
| 185 | L | B | 0.0000 | |
| 186 | S | B | 0.0000 | |
| 187 | S | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | V | B | 0.0000 | |
| 190 | T | B | -0.1240 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -0.6143 | |
| 193 | S | B | -0.8956 | |
| 194 | S | B | -0.5361 | |
| 195 | S | B | -0.7957 | |
| 196 | L | B | 0.0000 | |
| 197 | G | B | 0.0000 | |
| 198 | T | B | -0.9009 | |
| 199 | K | B | -1.5982 | |
| 200 | T | B | -1.4719 | |
| 201 | Y | B | 0.0000 | |
| 202 | T | B | 0.0000 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | -1.7377 | |
| 205 | V | B | 0.0000 | |
| 206 | D | B | -2.5875 | |
| 207 | H | B | 0.0000 | |
| 208 | K | B | -2.9662 | |
| 209 | P | B | -1.5962 | |
| 210 | S | B | -1.8322 | |
| 211 | N | B | -2.6598 | |
| 212 | T | B | -2.2571 | |
| 213 | K | B | -2.9418 | |
| 214 | V | B | -1.8836 | |
| 215 | D | B | -2.7046 | |
| 216 | K | B | -2.1914 | |
| 217 | R | B | -2.5816 | |
| 218 | V | B | 0.0000 | |
| 219 | E | B | -1.4747 | |
| 220 | S | B | -1.5079 | |
| 221 | K | B | -1.4623 | |
| 222 | Y | B | 0.4165 | |
| 223 | G | B | -0.3302 | |
| 224 | P | B | -0.4775 | |
| 225 | P | B | -0.4375 | |
| 226 | C | B | -0.0561 | |
| 227 | P | B | 0.0166 | |
| 228 | P | B | 0.1755 | |
| 229 | C | B | 0.6330 | |
| 233 | E | B | -0.9498 | |
| 234 | F | B | 1.6481 | |
| 235 | L | B | 1.4973 | |
| 236 | G | B | 0.3498 | |
| 237 | G | B | 0.0938 | |
| 238 | P | B | -0.1306 | |
| 239 | S | B | -0.0653 | |
| 240 | V | B | 0.0000 | |
| 241 | F | B | 1.2847 | |
| 242 | L | B | 0.0000 | |
| 243 | F | B | 1.0399 | |
| 244 | P | B | -0.2344 | |
| 245 | P | B | -1.4371 | |
| 246 | K | B | -2.8097 | |
| 247 | P | B | -2.5930 | |
| 248 | K | B | -2.9632 | |
| 249 | D | B | -2.5971 | |
| 250 | T | B | -0.7168 | |
| 251 | L | B | 1.5440 | |
| 252 | M | B | 2.2430 | |
| 253 | I | B | 2.0296 | |
| 254 | S | B | 0.3162 | |
| 255 | R | B | -0.9589 | |
| 256 | T | B | -0.7488 | |
| 257 | P | B | -1.1981 | |
| 258 | E | B | -1.1946 | |
| 259 | V | B | 0.0000 | |
| 260 | T | B | -0.0284 | |
| 261 | C | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | V | B | 0.0000 | |
| 264 | V | B | -0.1382 | |
| 265 | D | B | -0.6123 | |
| 266 | V | B | 0.0000 | |
| 267 | S | B | -1.7485 | |
| 268 | Q | B | -2.7566 | |
| 269 | E | B | -3.2093 | |
| 270 | D | B | -2.7205 | |
| 271 | P | B | -3.0103 | |
| 272 | E | B | -3.1682 | |
| 273 | V | B | -1.8661 | |
| 274 | Q | B | -1.4359 | |
| 275 | F | B | -0.7061 | |
| 276 | N | B | -0.8973 | |
| 277 | W | B | 0.0000 | |
| 278 | Y | B | -0.5917 | |
| 279 | V | B | 0.0000 | |
| 280 | D | B | -1.1204 | |
| 281 | G | B | -0.5579 | |
| 282 | V | B | 0.5101 | |
| 283 | E | B | -0.7448 | |
| 284 | V | B | -0.7490 | |
| 285 | H | B | -1.8887 | |
| 286 | N | B | -2.1359 | |
| 287 | A | B | -1.8516 | |
| 288 | K | B | -2.4005 | |
| 289 | T | B | -1.8497 | |
| 290 | K | B | -2.3858 | |
| 291 | P | B | -2.3506 | |
| 292 | R | B | -4.0523 | |
| 293 | E | B | -4.0510 | |
| 294 | E | B | -3.6552 | |
| 295 | Q | B | -2.1763 | |
| 296 | F | B | -0.4001 | |
| 297 | N | B | -1.0553 | |
| 298 | S | B | -1.1001 | |
| 299 | T | B | -1.6350 | |
| 300 | Y | B | -2.7023 | |
| 301 | R | B | -2.6299 | |
| 302 | V | B | 0.0000 | |
| 303 | V | B | -1.1119 | |
| 304 | S | B | 0.0000 | |
| 305 | V | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | T | B | -0.6736 | |
| 308 | V | B | -0.2402 | |
| 309 | L | B | -0.4463 | |
| 310 | H | B | -1.4022 | |
| 311 | Q | B | -1.4850 | |
| 312 | D | B | 0.0000 | |
| 313 | W | B | -0.4373 | |
| 314 | L | B | -0.3434 | |
| 315 | N | B | 0.0000 | |
| 316 | G | B | -1.2911 | |
| 317 | K | B | 0.0000 | |
| 318 | E | B | -1.5369 | |
| 319 | Y | B | 0.0000 | |
| 320 | K | B | -1.2700 | |
| 321 | C | B | 0.0000 | |
| 322 | K | B | -1.1134 | |
| 323 | V | B | 0.0000 | |
| 324 | S | B | -1.1203 | |
| 325 | N | B | 0.0000 | |
| 326 | K | B | -2.6424 | |
| 327 | G | B | -2.0091 | |
| 328 | L | B | -0.7235 | |
| 329 | P | B | -0.7189 | |
| 330 | S | B | -0.5561 | |
| 331 | S | B | -0.6686 | |
| 332 | I | B | -0.7656 | |
| 333 | E | B | -1.5809 | |
| 334 | K | B | -0.8971 | |
| 335 | T | B | -0.6757 | |
| 336 | I | B | -0.2316 | |
| 337 | S | B | -0.8861 | |
| 338 | K | B | -1.3352 | |
| 339 | A | B | -1.1441 | |
| 340 | K | B | -2.1189 | |
| 341 | G | B | -1.5278 | |
| 342 | Q | B | -1.7108 | |
| 343 | P | B | -1.7075 | |
| 344 | R | B | -1.9521 | |
| 345 | E | B | -2.8474 | |
| 346 | P | B | 0.0000 | |
| 347 | Q | B | -1.3711 | |
| 348 | V | B | 0.0000 | |
| 349 | Y | B | 0.5001 | |
| 350 | T | B | 0.3060 | |
| 351 | L | B | 0.5942 | |
| 352 | P | B | -0.1116 | |
| 353 | P | B | -0.8089 | |
| 354 | S | B | -1.4085 | |
| 355 | Q | B | -2.2542 | |
| 356 | E | B | -2.8237 | |
| 357 | E | B | -2.4182 | |
| 358 | M | B | -2.1525 | |
| 359 | T | B | -2.0238 | |
| 360 | K | B | -3.0762 | |
| 361 | N | B | -2.9593 | |
| 362 | Q | B | -2.7586 | |
| 363 | V | B | 0.0000 | |
| 364 | S | B | -0.6771 | |
| 365 | L | B | 0.0000 | |
| 366 | T | B | 0.1115 | |
| 367 | C | B | 0.0000 | |
| 368 | L | B | 0.5193 | |
| 369 | V | B | 0.0000 | |
| 370 | K | B | -0.5674 | |
| 371 | G | B | -1.1482 | |
| 372 | F | B | 0.0000 | |
| 373 | Y | B | 0.0000 | |
| 374 | P | B | -1.3405 | |
| 375 | S | B | -0.7275 | |
| 376 | D | B | -1.9217 | |
| 377 | I | B | -0.8829 | |
| 378 | A | B | -0.2492 | |
| 379 | V | B | 0.0000 | |
| 380 | E | B | -1.6604 | |
| 381 | W | B | 0.0000 | |
| 382 | E | B | -1.7128 | |
| 383 | S | B | 0.0000 | |
| 384 | N | B | -1.6580 | |
| 385 | G | B | -1.6691 | |
| 386 | Q | B | -2.1071 | |
| 387 | P | B | -1.9538 | |
| 388 | E | B | -2.0823 | |
| 389 | N | B | -2.4726 | |
| 390 | N | B | -2.3115 | |
| 391 | Y | B | -1.9590 | |
| 392 | K | B | -2.3297 | |
| 393 | T | B | -1.0515 | |
| 394 | T | B | -0.2825 | |
| 395 | P | B | -0.0857 | |
| 396 | P | B | 0.4259 | |
| 397 | V | B | 1.4408 | |
| 398 | L | B | 0.8334 | |
| 399 | D | B | -0.3842 | |
| 400 | S | B | -0.9234 | |
| 401 | D | B | -1.7846 | |
| 402 | G | B | 0.0000 | |
| 403 | S | B | 0.0000 | |
| 404 | F | B | 0.2107 | |
| 405 | F | B | 0.6375 | |
| 406 | L | B | 0.0000 | |
| 407 | Y | B | 0.4525 | |
| 408 | S | B | 0.0000 | |
| 409 | R | B | -1.4753 | |
| 410 | L | B | 0.0000 | |
| 411 | T | B | -1.4238 | |
| 412 | V | B | 0.0000 | |
| 413 | D | B | -2.7049 | |
| 414 | K | B | -2.7622 | |
| 415 | S | B | -2.2357 | |
| 416 | R | B | -2.0712 | |
| 417 | W | B | 0.0000 | |
| 418 | Q | B | -2.3568 | |
| 419 | Q | B | -2.1540 | |
| 420 | G | B | -1.3800 | |
| 421 | N | B | -0.9447 | |
| 422 | V | B | -0.2207 | |
| 423 | F | B | 0.0000 | |
| 424 | S | B | 0.0000 | |
| 425 | C | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | M | B | -0.8069 | |
| 429 | H | B | 0.0000 | |
| 430 | E | B | -2.8546 | |
| 431 | A | B | -2.1784 | |
| 432 | L | B | -2.0115 | |
| 433 | H | B | -2.1755 | |
| 434 | N | B | -2.2298 | |
| 435 | H | B | -2.2363 | |
| 436 | Y | B | -0.9304 | |
| 437 | T | B | -0.9288 | |
| 438 | Q | B | -1.1752 | |
| 439 | K | B | -1.3449 | |
| 440 | S | B | -0.7049 | |
| 441 | L | B | 0.0000 | |
| 442 | S | B | -0.2259 | |
| 443 | L | B | -0.2898 | |
| 444 | S | B | -0.2241 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine