| Chain sequence(s) |
A: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS G: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS F: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,B,G,F |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:23:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/efa56bb1cf551fa/tmp/folded.pdb (00:23:39)
[INFO] Main: Simulation completed successfully. (00:34:29)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | E | A | -1.6399 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.6802 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.5546 | |
| 6 | Q | A | -0.5664 | |
| 7 | S | A | -0.6647 | |
| 8 | P | A | -0.3138 | |
| 9 | A | A | -0.3200 | |
| 10 | T | A | -0.3574 | |
| 11 | L | A | -0.2826 | |
| 12 | S | A | -0.5955 | |
| 13 | L | A | -1.1451 | |
| 14 | S | A | -1.5518 | |
| 15 | P | A | -1.8880 | |
| 16 | G | A | -1.8114 | |
| 17 | E | A | -2.5032 | |
| 18 | R | A | -2.7609 | |
| 19 | A | A | 0.0000 | |
| 20 | T | A | -0.6786 | |
| 21 | L | A | 0.0000 | |
| 22 | S | A | -0.9377 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.3595 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.2392 | |
| 27 | K | A | -2.5168 | |
| 28 | G | A | -1.8881 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.6146 | |
| 31 | T | A | -0.3185 | |
| 32 | S | A | -0.2394 | |
| 33 | G | A | -0.2221 | |
| 34 | Y | A | 0.2797 | |
| 35 | S | A | 0.0000 | |
| 36 | Y | A | -0.2639 | |
| 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 | -1.5091 | |
| 44 | P | A | -1.3431 | |
| 45 | G | A | -1.5507 | |
| 46 | Q | A | -1.9800 | |
| 47 | A | A | -1.2110 | |
| 48 | P | A | 0.0000 | |
| 49 | R | A | -1.0903 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | Y | A | 0.5562 | |
| 54 | L | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | 0.2298 | |
| 57 | Y | A | 0.9577 | |
| 58 | L | A | 0.7680 | |
| 59 | E | A | -0.0572 | |
| 60 | S | A | -0.3463 | |
| 61 | G | A | -0.5412 | |
| 62 | V | A | 0.0000 | |
| 63 | P | A | -0.2810 | |
| 64 | A | A | -0.2275 | |
| 65 | R | A | -0.7958 | |
| 66 | F | A | 0.0000 | |
| 67 | S | A | -0.1544 | |
| 68 | G | A | -0.0991 | |
| 69 | S | A | -0.7149 | |
| 70 | G | A | -1.3068 | |
| 71 | S | A | -1.1288 | |
| 72 | G | A | -1.3271 | |
| 73 | T | A | -2.1221 | |
| 74 | D | A | -2.8395 | |
| 75 | F | A | 0.0000 | |
| 76 | T | A | -0.9155 | |
| 77 | L | A | 0.0000 | |
| 78 | T | A | -0.6669 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | -1.5644 | |
| 81 | S | A | -1.7692 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -2.3224 | |
| 84 | P | A | -2.3689 | |
| 85 | E | A | -2.6581 | |
| 86 | D | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | -0.4129 | |
| 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 | -0.7833 | |
| 96 | R | A | -1.7974 | |
| 97 | D | A | -1.8060 | |
| 98 | L | A | -0.8011 | |
| 99 | P | A | -1.1904 | |
| 100 | L | A | 0.0000 | |
| 101 | T | A | -0.2044 | |
| 102 | F | A | 0.2275 | |
| 103 | G | A | 0.0000 | |
| 104 | G | A | -0.5991 | |
| 105 | G | A | -0.6410 | |
| 106 | T | A | 0.0000 | |
| 107 | K | A | -0.9156 | |
| 108 | V | A | 0.0000 | |
| 109 | E | A | -1.3222 | |
| 110 | I | A | 0.0000 | |
| 111 | K | A | -1.2004 | |
| 112 | R | A | -1.0807 | |
| 113 | T | A | -0.0658 | |
| 114 | V | A | 0.4238 | |
| 115 | A | A | -0.0251 | |
| 116 | A | A | -0.0866 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | -0.0639 | |
| 119 | V | A | 0.0733 | |
| 120 | F | A | 0.1372 | |
| 121 | I | A | 0.0464 | |
| 122 | F | A | 0.0000 | |
| 123 | P | A | -0.2122 | |
| 124 | P | A | 0.0000 | |
| 125 | S | A | -1.5183 | |
| 126 | D | A | -2.8603 | |
| 127 | E | A | -2.7224 | |
| 128 | Q | A | 0.0000 | |
| 129 | L | A | -2.2389 | |
| 130 | K | A | -2.7634 | |
| 131 | S | A | -1.7657 | |
| 132 | G | A | -1.3182 | |
| 133 | T | A | -0.9417 | |
| 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 | -0.7679 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | P | A | -1.6719 | |
| 146 | R | A | -3.0937 | |
| 147 | E | A | -3.2658 | |
| 148 | A | A | -2.3201 | |
| 149 | K | A | -2.3242 | |
| 150 | V | A | -1.1540 | |
| 151 | Q | A | -0.6839 | |
| 152 | W | A | 0.0000 | |
| 153 | K | A | -0.6053 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -1.5610 | |
| 156 | N | A | -1.3719 | |
| 157 | A | A | -0.2034 | |
| 158 | L | A | 0.7463 | |
| 159 | Q | A | -0.0839 | |
| 160 | S | A | -0.3994 | |
| 161 | G | A | -0.8687 | |
| 162 | N | A | -0.7813 | |
| 163 | S | A | -1.1218 | |
| 164 | Q | A | -1.3857 | |
| 165 | E | A | -1.9751 | |
| 166 | S | A | -1.0597 | |
| 167 | V | A | -0.8785 | |
| 168 | T | A | -1.1909 | |
| 169 | E | A | -2.3354 | |
| 170 | Q | A | 0.0000 | |
| 171 | D | A | -2.1567 | |
| 172 | S | A | -2.4399 | |
| 173 | K | A | -2.7519 | |
| 174 | D | A | -1.9463 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | Y | A | -1.3267 | |
| 178 | S | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | T | A | -0.6412 | |
| 183 | L | A | 0.0000 | |
| 184 | T | A | -0.3120 | |
| 185 | L | A | -0.6825 | |
| 186 | S | A | -1.0940 | |
| 187 | K | A | -2.0779 | |
| 188 | A | A | -1.8798 | |
| 189 | D | A | -2.5935 | |
| 190 | Y | A | 0.0000 | |
| 191 | E | A | -3.0932 | |
| 192 | K | A | -3.3342 | |
| 193 | H | A | -2.4867 | |
| 194 | K | A | -2.3177 | |
| 195 | V | A | -0.8563 | |
| 196 | Y | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | C | A | 0.0000 | |
| 199 | E | A | -0.8205 | |
| 200 | V | A | 0.0000 | |
| 201 | T | A | -1.1810 | |
| 202 | H | A | 0.0000 | |
| 203 | Q | A | -1.5799 | |
| 204 | G | A | -0.4077 | |
| 205 | L | A | -0.2560 | |
| 206 | S | A | -0.4974 | |
| 207 | S | A | -0.4091 | |
| 208 | P | A | -0.4705 | |
| 209 | V | A | 0.0469 | |
| 210 | T | A | -0.4462 | |
| 211 | K | A | -0.7370 | |
| 212 | S | A | -0.6103 | |
| 213 | F | A | 0.0000 | |
| 214 | N | A | -1.3912 | |
| 215 | R | A | -1.8386 | |
| 216 | G | A | -1.6483 | |
| 217 | E | A | -2.0608 | |
| 218 | C | A | -0.4351 | |
| 1 | Q | B | -1.3853 | |
| 2 | V | B | -0.6578 | |
| 3 | Q | B | -0.7482 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.7003 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.3259 | |
| 8 | G | B | -0.4756 | |
| 9 | V | B | -0.3988 | |
| 10 | E | B | -0.8142 | |
| 11 | V | B | -0.5314 | |
| 12 | K | B | -1.2624 | |
| 13 | K | B | -1.9493 | |
| 14 | P | B | -1.3450 | |
| 15 | G | B | -1.2723 | |
| 16 | A | B | -1.4153 | |
| 17 | S | B | -1.7792 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.1616 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.4418 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.5275 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.6376 | |
| 26 | G | B | -0.9152 | |
| 27 | Y | B | -0.3737 | |
| 28 | T | B | -0.1961 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -0.3476 | |
| 31 | N | B | -0.5076 | |
| 32 | Y | B | 0.2547 | |
| 33 | Y | B | 0.1226 | |
| 34 | M | B | 0.0000 | |
| 35 | Y | B | 0.0513 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.6403 | |
| 40 | A | B | -1.0274 | |
| 41 | P | B | -1.1001 | |
| 42 | G | B | -1.2267 | |
| 43 | Q | B | -1.7529 | |
| 44 | G | B | -1.1117 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.5355 | |
| 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 | -0.7823 | |
| 54 | S | B | -0.9746 | |
| 55 | N | B | -1.6779 | |
| 56 | G | B | -1.2148 | |
| 57 | G | B | -1.1958 | |
| 58 | T | B | -0.9953 | |
| 59 | N | B | -1.5897 | |
| 60 | F | B | -1.7553 | |
| 61 | N | B | -2.1715 | |
| 62 | E | B | -3.5696 | |
| 63 | K | B | -3.2843 | |
| 64 | F | B | 0.0000 | |
| 65 | K | B | -3.6867 | |
| 66 | N | B | -2.9155 | |
| 67 | R | B | -2.4009 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -1.1785 | |
| 70 | L | B | 0.0000 | |
| 71 | T | B | -0.4061 | |
| 72 | T | B | -0.6823 | |
| 73 | D | B | -1.0218 | |
| 74 | S | B | -0.7451 | |
| 75 | S | B | -0.5666 | |
| 76 | T | B | -0.6111 | |
| 77 | T | B | -0.6503 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.6160 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -1.8212 | |
| 83 | L | B | 0.0000 | |
| 84 | K | B | -2.2575 | |
| 85 | S | B | -1.5440 | |
| 86 | L | B | 0.0000 | |
| 87 | Q | B | -0.9601 | |
| 88 | F | B | 0.3469 | |
| 89 | D | B | -1.1191 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.2797 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1190 | |
| 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 | 0.2515 | |
| 100 | D | B | 0.0000 | |
| 101 | Y | B | 0.6499 | |
| 102 | R | B | -0.3835 | |
| 103 | F | B | 1.3484 | |
| 104 | D | B | 0.7695 | |
| 105 | M | B | 0.6801 | |
| 106 | G | B | 0.0000 | |
| 107 | F | B | 0.0000 | |
| 108 | D | B | -0.1998 | |
| 109 | Y | B | 0.2418 | |
| 110 | W | B | -0.0546 | |
| 111 | G | B | 0.0000 | |
| 112 | Q | B | -1.1610 | |
| 113 | G | B | -0.5973 | |
| 114 | T | B | 0.0000 | |
| 115 | T | B | -0.1422 | |
| 116 | V | B | 0.0000 | |
| 117 | T | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | S | B | -0.6396 | |
| 120 | S | B | -0.7073 | |
| 121 | A | B | -0.5335 | |
| 122 | S | B | -0.5934 | |
| 123 | T | B | -0.5918 | |
| 124 | K | B | -1.2515 | |
| 125 | G | B | -1.5580 | |
| 126 | P | B | 0.0000 | |
| 127 | S | B | -0.4911 | |
| 128 | V | B | 0.0000 | |
| 129 | F | B | 0.0000 | |
| 130 | P | B | -0.8796 | |
| 131 | L | B | 0.0000 | |
| 132 | A | B | -0.0397 | |
| 133 | P | B | -0.0423 | |
| 134 | C | B | -0.4376 | |
| 135 | S | B | -0.5045 | |
| 136 | R | B | -0.6831 | |
| 137 | S | B | -0.8618 | |
| 138 | T | B | -1.0688 | |
| 139 | S | B | -1.4023 | |
| 140 | E | B | -2.1250 | |
| 141 | S | B | -1.2189 | |
| 142 | T | B | -0.8224 | |
| 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 | -0.3288 | |
| 151 | D | B | -0.5090 | |
| 152 | Y | B | 0.0000 | |
| 153 | F | B | -0.2517 | |
| 154 | P | B | 0.0000 | |
| 155 | E | B | -0.5860 | |
| 156 | P | B | -0.7036 | |
| 157 | V | B | 0.0000 | |
| 158 | T | B | -0.7969 | |
| 159 | V | B | -0.4758 | |
| 160 | S | B | -0.5070 | |
| 161 | W | B | 0.0000 | |
| 162 | N | B | -0.9672 | |
| 163 | S | B | -0.7475 | |
| 164 | G | B | -0.5613 | |
| 165 | A | B | -0.2415 | |
| 166 | L | B | -0.0540 | |
| 167 | T | B | -0.1580 | |
| 168 | S | B | -0.1588 | |
| 169 | G | B | -0.1540 | |
| 170 | V | B | 0.2206 | |
| 171 | H | B | -0.2787 | |
| 172 | T | B | 0.0149 | |
| 173 | F | B | 0.0000 | |
| 174 | P | B | -0.4430 | |
| 175 | A | B | 0.0708 | |
| 176 | V | B | 0.2742 | |
| 177 | L | B | 1.0326 | |
| 178 | Q | B | 0.1715 | |
| 179 | S | B | -0.1120 | |
| 180 | S | B | -0.2530 | |
| 181 | G | B | 0.0154 | |
| 182 | L | B | 0.0873 | |
| 183 | Y | B | 0.3570 | |
| 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 | -0.0959 | |
| 191 | V | B | 0.0000 | |
| 192 | P | B | -0.6547 | |
| 193 | S | B | -0.8415 | |
| 194 | S | B | -0.6331 | |
| 195 | S | B | -0.7022 | |
| 196 | L | B | 0.0000 | |
| 197 | G | B | 0.0000 | |
| 198 | T | B | -0.8467 | |
| 199 | K | B | -1.2883 | |
| 200 | T | B | -1.0814 | |
| 201 | Y | B | 0.0000 | |
| 202 | T | B | -1.4320 | |
| 203 | C | B | 0.0000 | |
| 204 | N | B | -1.6798 | |
| 205 | V | B | 0.0000 | |
| 206 | D | B | -2.4220 | |
| 207 | H | B | 0.0000 | |
| 208 | K | B | -2.9110 | |
| 209 | P | B | -1.6193 | |
| 210 | S | B | -1.8791 | |
| 211 | N | B | -2.6580 | |
| 212 | T | B | -2.2385 | |
| 213 | K | B | -2.8829 | |
| 214 | V | B | -1.8279 | |
| 215 | D | B | -2.6706 | |
| 216 | K | B | -2.0676 | |
| 217 | R | B | -2.2172 | |
| 218 | V | B | 0.0000 | |
| 219 | E | B | 0.0000 | |
| 220 | S | B | 0.0000 | |
| 221 | K | B | -1.3618 | |
| 222 | Y | B | -0.2248 | |
| 223 | G | B | -0.6574 | |
| 224 | P | B | -0.8404 | |
| 225 | P | B | -0.6817 | |
| 226 | C | B | 0.0000 | |
| 227 | P | B | 0.0000 | |
| 228 | P | B | 0.4474 | |
| 229 | C | B | 0.7932 | |
| 233 | E | B | -0.3925 | |
| 234 | F | B | 0.2145 | |
| 235 | L | B | -0.0087 | |
| 236 | G | B | -0.3104 | |
| 237 | G | B | -0.2712 | |
| 238 | P | B | -0.3324 | |
| 239 | S | B | -0.0052 | |
| 240 | V | B | 0.0000 | |
| 241 | F | B | 1.5516 | |
| 242 | L | B | 0.0000 | |
| 243 | F | B | 1.1915 | |
| 244 | P | B | -0.2090 | |
| 245 | P | B | -1.4557 | |
| 246 | K | B | -2.8161 | |
| 247 | P | B | -2.5954 | |
| 248 | K | B | -2.9632 | |
| 249 | D | B | -2.5971 | |
| 250 | T | B | -0.7168 | |
| 251 | L | B | 1.5440 | |
| 252 | M | B | 2.2441 | |
| 253 | I | B | 2.0301 | |
| 254 | S | B | 0.3167 | |
| 255 | R | B | -0.9731 | |
| 256 | T | B | -0.7606 | |
| 257 | P | B | -1.2457 | |
| 258 | E | B | -1.2768 | |
| 259 | V | B | 0.0000 | |
| 260 | T | B | 0.0673 | |
| 261 | C | B | 0.0000 | |
| 262 | V | B | 0.8666 | |
| 263 | V | B | 0.0000 | |
| 264 | V | B | 0.0276 | |
| 265 | D | B | -0.8458 | |
| 266 | V | B | 0.0000 | |
| 267 | S | B | 0.0000 | |
| 268 | Q | B | -2.4040 | |
| 269 | E | B | -2.7461 | |
| 270 | D | B | -2.0459 | |
| 271 | P | B | -2.4081 | |
| 272 | E | B | -2.1118 | |
| 273 | V | B | -1.2367 | |
| 274 | Q | B | -1.0970 | |
| 275 | F | B | 0.0000 | |
| 276 | N | B | -0.9509 | |
| 277 | W | B | 0.0000 | |
| 278 | Y | B | -0.6643 | |
| 279 | V | B | 0.0000 | |
| 280 | D | B | -1.2286 | |
| 281 | G | B | -0.6306 | |
| 282 | V | B | 0.4422 | |
| 283 | E | B | -0.7893 | |
| 284 | V | B | -0.6821 | |
| 285 | H | B | -1.8771 | |
| 286 | N | B | -2.1132 | |
| 287 | A | B | -1.8658 | |
| 288 | K | B | -2.3790 | |
| 289 | T | B | -1.7657 | |
| 290 | K | B | -2.1823 | |
| 291 | P | B | -2.1937 | |
| 292 | R | B | -3.7429 | |
| 293 | E | B | -3.7503 | |
| 294 | E | B | -3.4164 | |
| 295 | Q | B | -2.0266 | |
| 296 | F | B | -0.2745 | |
| 297 | N | B | -1.0711 | |
| 298 | S | B | -1.0887 | |
| 299 | T | B | 0.0000 | |
| 300 | Y | B | -2.3491 | |
| 301 | R | B | -2.2191 | |
| 302 | V | B | 0.0000 | |
| 303 | V | B | -0.8389 | |
| 304 | S | B | 0.0000 | |
| 305 | V | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | T | B | -0.6948 | |
| 308 | V | B | -0.2497 | |
| 309 | L | B | -0.3380 | |
| 310 | H | B | -1.3609 | |
| 311 | Q | B | -1.4817 | |
| 312 | D | B | 0.0000 | |
| 313 | W | B | -0.4964 | |
| 314 | L | B | -0.4119 | |
| 315 | N | B | 0.0000 | |
| 316 | G | B | -1.3473 | |
| 317 | K | B | 0.0000 | |
| 318 | E | B | -1.7564 | |
| 319 | Y | B | 0.0000 | |
| 320 | K | B | -1.3270 | |
| 321 | C | B | 0.0000 | |
| 322 | K | B | -1.0321 | |
| 323 | V | B | 0.0000 | |
| 324 | S | B | 0.0000 | |
| 325 | N | B | 0.0000 | |
| 326 | K | B | -1.9216 | |
| 327 | G | B | -1.4486 | |
| 328 | L | B | -0.5287 | |
| 329 | P | B | -0.7054 | |
| 330 | S | B | -0.5525 | |
| 331 | S | B | -0.5685 | |
| 332 | I | B | -0.6884 | |
| 333 | E | B | -1.3934 | |
| 334 | K | B | -0.7992 | |
| 335 | T | B | -0.6698 | |
| 336 | I | B | -0.2806 | |
| 337 | S | B | -0.9529 | |
| 338 | K | B | -1.3571 | |
| 339 | A | B | -1.1373 | |
| 340 | K | B | -2.1155 | |
| 341 | G | B | -1.5251 | |
| 342 | Q | B | -1.7179 | |
| 343 | P | B | -1.6841 | |
| 344 | R | B | -1.8510 | |
| 345 | E | B | -2.6946 | |
| 346 | P | B | 0.0000 | |
| 347 | Q | B | -1.1497 | |
| 348 | V | B | 0.0000 | |
| 349 | Y | B | 0.0000 | |
| 350 | T | B | -0.6993 | |
| 351 | L | B | 0.0000 | |
| 352 | P | B | -0.3357 | |
| 353 | P | B | -0.7418 | |
| 354 | S | B | -1.2384 | |
| 355 | Q | B | -2.0725 | |
| 356 | E | B | -2.5389 | |
| 357 | E | B | 0.0000 | |
| 358 | M | B | -1.7581 | |
| 359 | T | B | -1.6142 | |
| 360 | K | B | -2.3467 | |
| 361 | N | B | -2.5263 | |
| 362 | Q | B | -2.2737 | |
| 363 | V | B | 0.0000 | |
| 364 | S | B | 0.0000 | |
| 365 | L | B | 0.0000 | |
| 366 | T | B | 0.0000 | |
| 367 | C | B | 0.0000 | |
| 368 | L | B | 0.0000 | |
| 369 | V | B | 0.0000 | |
| 370 | K | B | -0.6009 | |
| 371 | G | B | -0.9343 | |
| 372 | F | B | 0.0000 | |
| 373 | Y | B | 0.0000 | |
| 374 | P | B | -1.3023 | |
| 375 | S | B | -0.9285 | |
| 376 | D | B | -1.8860 | |
| 377 | I | B | -0.8426 | |
| 378 | A | B | -0.1102 | |
| 379 | V | B | 0.0000 | |
| 380 | E | B | -0.8807 | |
| 381 | W | B | 0.0000 | |
| 382 | E | B | -1.5814 | |
| 383 | S | B | 0.0000 | |
| 384 | N | B | -1.7970 | |
| 385 | G | B | -1.7234 | |
| 386 | Q | B | -2.1164 | |
| 387 | P | B | -1.7263 | |
| 388 | E | B | -1.6855 | |
| 389 | N | B | -1.8372 | |
| 390 | N | B | -1.1536 | |
| 391 | Y | B | -0.7137 | |
| 392 | K | B | -0.5720 | |
| 393 | T | B | -0.1942 | |
| 394 | T | B | 0.0000 | |
| 395 | P | B | -0.2896 | |
| 396 | P | B | -0.1777 | |
| 397 | V | B | 0.2047 | |
| 398 | L | B | 0.2164 | |
| 399 | D | B | -0.6226 | |
| 400 | S | B | -1.1401 | |
| 401 | D | B | -1.6664 | |
| 402 | G | B | 0.0000 | |
| 403 | S | B | 0.0000 | |
| 404 | F | B | -0.1252 | |
| 405 | F | B | 0.0000 | |
| 406 | L | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | S | B | 0.0000 | |
| 409 | R | B | 0.0000 | |
| 410 | L | B | 0.0000 | |
| 411 | T | B | -0.7314 | |
| 412 | V | B | 0.0000 | |
| 413 | D | B | -2.4179 | |
| 414 | K | B | -2.4788 | |
| 415 | S | B | -2.1370 | |
| 416 | R | B | -1.9367 | |
| 417 | W | B | 0.0000 | |
| 418 | Q | B | -2.3186 | |
| 419 | Q | B | -2.1245 | |
| 420 | G | B | -1.3690 | |
| 421 | N | B | -0.9616 | |
| 422 | V | B | -0.2517 | |
| 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 | -0.6477 | |
| 429 | H | B | 0.0000 | |
| 430 | E | B | -2.7289 | |
| 431 | A | B | -2.1068 | |
| 432 | L | B | -1.9104 | |
| 433 | H | B | -2.1298 | |
| 434 | N | B | -2.1792 | |
| 435 | H | B | -2.1483 | |
| 436 | Y | B | -0.8190 | |
| 437 | T | B | -0.7459 | |
| 438 | Q | B | -0.9619 | |
| 439 | K | B | -1.0076 | |
| 440 | S | B | -0.6665 | |
| 441 | L | B | 0.0000 | |
| 442 | S | B | -0.2939 | |
| 443 | L | B | -0.2653 | |
| 444 | S | B | -0.2145 | |
| 1 | E | F | -1.7928 | |
| 2 | I | F | 0.0000 | |
| 3 | V | F | 0.3695 | |
| 4 | L | F | 0.0000 | |
| 5 | T | F | -0.7302 | |
| 6 | Q | F | -0.8249 | |
| 7 | S | F | -0.6634 | |
| 8 | P | F | -0.2863 | |
| 9 | A | F | -0.2652 | |
| 10 | T | F | -0.1982 | |
| 11 | L | F | -0.0677 | |
| 12 | S | F | -0.4905 | |
| 13 | L | F | -0.9303 | |
| 14 | S | F | -1.3397 | |
| 15 | P | F | -1.6099 | |
| 16 | G | F | -1.6243 | |
| 17 | E | F | -2.1920 | |
| 18 | R | F | -2.5313 | |
| 19 | A | F | 0.0000 | |
| 20 | T | F | -0.5730 | |
| 21 | L | F | 0.0000 | |
| 22 | S | F | -0.9270 | |
| 23 | C | F | 0.0000 | |
| 24 | R | F | -2.5125 | |
| 25 | A | F | 0.0000 | |
| 26 | S | F | -1.3765 | |
| 27 | K | F | -2.2619 | |
| 28 | G | F | -1.7342 | |
| 29 | V | F | 0.0000 | |
| 30 | S | F | -0.5819 | |
| 31 | T | F | -0.3194 | |
| 32 | S | F | -0.2501 | |
| 33 | G | F | -0.2287 | |
| 34 | Y | F | 0.3237 | |
| 35 | S | F | -0.0729 | |
| 36 | Y | F | -0.1120 | |
| 37 | L | F | 0.0000 | |
| 38 | H | F | 0.0000 | |
| 39 | W | F | 0.0000 | |
| 40 | Y | F | 0.0000 | |
| 41 | Q | F | 0.0000 | |
| 42 | Q | F | 0.0000 | |
| 43 | K | F | -1.4800 | |
| 44 | P | F | -1.3857 | |
| 45 | G | F | -1.4527 | |
| 46 | Q | F | -2.0688 | |
| 47 | A | F | -1.2489 | |
| 48 | P | F | 0.0000 | |
| 49 | R | F | -0.9708 | |
| 50 | L | F | 0.0000 | |
| 51 | L | F | 0.0000 | |
| 52 | I | F | 0.0000 | |
| 53 | Y | F | 0.7123 | |
| 54 | L | F | 0.0000 | |
| 55 | A | F | 0.0000 | |
| 56 | S | F | 0.5411 | |
| 57 | Y | F | 1.5108 | |
| 58 | L | F | 1.1145 | |
| 59 | E | F | 0.1541 | |
| 60 | S | F | -0.2440 | |
| 61 | G | F | -0.4592 | |
| 62 | V | F | -0.2082 | |
| 63 | P | F | -0.1585 | |
| 64 | A | F | -0.1095 | |
| 65 | R | F | -0.7007 | |
| 66 | F | F | 0.0000 | |
| 67 | S | F | 0.0256 | |
| 68 | G | F | 0.0284 | |
| 69 | S | F | -0.5107 | |
| 70 | G | F | -0.9174 | |
| 71 | S | F | -0.7846 | |
| 72 | G | F | -1.2375 | |
| 73 | T | F | -1.9794 | |
| 74 | D | F | -2.2670 | |
| 75 | F | F | 0.0000 | |
| 76 | T | F | -0.8300 | |
| 77 | L | F | 0.0000 | |
| 78 | T | F | -0.6259 | |
| 79 | I | F | 0.0000 | |
| 80 | S | F | -1.2823 | |
| 81 | S | F | -1.5643 | |
| 82 | L | F | 0.0000 | |
| 83 | E | F | -2.0673 | |
| 84 | P | F | -1.5983 | |
| 85 | E | F | -2.2638 | |
| 86 | D | F | 0.0000 | |
| 87 | F | F | -0.6251 | |
| 88 | A | F | 0.0000 | |
| 89 | V | F | -0.0509 | |
| 90 | Y | F | 0.0000 | |
| 91 | Y | F | 0.0000 | |
| 92 | C | F | 0.0000 | |
| 93 | Q | F | 0.0000 | |
| 94 | H | F | 0.0000 | |
| 95 | S | F | -0.5744 | |
| 96 | R | F | -1.4269 | |
| 97 | D | F | -1.5047 | |
| 98 | L | F | -0.6257 | |
| 99 | P | F | -0.7569 | |
| 100 | L | F | 0.0000 | |
| 101 | T | F | -0.1093 | |
| 102 | F | F | 0.0768 | |
| 103 | G | F | 0.0000 | |
| 104 | G | F | -0.6179 | |
| 105 | G | F | -0.5630 | |
| 106 | T | F | 0.0000 | |
| 107 | K | F | -0.5000 | |
| 108 | V | F | 0.0000 | |
| 109 | E | F | 0.0000 | |
| 110 | I | F | -0.7577 | |
| 111 | K | F | -1.4307 | |
| 112 | R | F | -1.0902 | |
| 113 | T | F | -0.2722 | |
| 114 | V | F | 0.1810 | |
| 115 | A | F | -0.0740 | |
| 116 | A | F | -0.1991 | |
| 117 | P | F | 0.0000 | |
| 118 | S | F | -0.2400 | |
| 119 | V | F | 0.0000 | |
| 120 | F | F | 0.0645 | |
| 121 | I | F | 0.0820 | |
| 122 | F | F | 0.0000 | |
| 123 | P | F | -0.2574 | |
| 124 | P | F | 0.0000 | |
| 125 | S | F | 0.0000 | |
| 126 | D | F | -2.9300 | |
| 127 | E | F | -2.7948 | |
| 128 | Q | F | 0.0000 | |
| 129 | L | F | -2.0780 | |
| 130 | K | F | -2.7023 | |
| 131 | S | F | -1.6776 | |
| 132 | G | F | -1.1940 | |
| 133 | T | F | -0.8124 | |
| 134 | A | F | 0.0000 | |
| 135 | S | F | 0.0000 | |
| 136 | V | F | 0.0000 | |
| 137 | V | F | 0.0000 | |
| 138 | C | F | 0.0000 | |
| 139 | L | F | 0.0000 | |
| 140 | L | F | 0.0000 | |
| 141 | N | F | 0.0000 | |
| 142 | N | F | -0.9163 | |
| 143 | F | F | 0.0000 | |
| 144 | Y | F | 0.0000 | |
| 145 | P | F | -1.8041 | |
| 146 | R | F | -2.9026 | |
| 147 | E | F | -3.1688 | |
| 148 | A | F | -2.3022 | |
| 149 | K | F | -2.3206 | |
| 150 | V | F | -1.1887 | |
| 151 | Q | F | -0.5638 | |
| 152 | W | F | 0.0000 | |
| 153 | K | F | -0.5915 | |
| 154 | V | F | 0.0000 | |
| 155 | D | F | -1.5490 | |
| 156 | N | F | -1.4168 | |
| 157 | A | F | -0.2808 | |
| 158 | L | F | 0.7591 | |
| 159 | Q | F | -0.0784 | |
| 160 | S | F | -0.4107 | |
| 161 | G | F | -0.9573 | |
| 162 | N | F | -0.9007 | |
| 163 | S | F | -1.2996 | |
| 164 | Q | F | -1.7340 | |
| 165 | E | F | -2.1401 | |
| 166 | S | F | -0.9626 | |
| 167 | V | F | -0.9154 | |
| 168 | T | F | -1.1883 | |
| 169 | E | F | -2.3027 | |
| 170 | Q | F | -1.9039 | |
| 171 | D | F | -2.0090 | |
| 172 | S | F | -1.7616 | |
| 173 | K | F | -2.2706 | |
| 174 | D | F | -1.7645 | |
| 175 | S | F | -1.7187 | |
| 176 | T | F | 0.0000 | |
| 177 | Y | F | 0.0000 | |
| 178 | S | F | 0.0000 | |
| 179 | L | F | 0.0000 | |
| 180 | S | F | 0.0000 | |
| 181 | S | F | 0.0000 | |
| 182 | T | F | -0.7745 | |
| 183 | L | F | 0.0000 | |
| 184 | T | F | -0.4787 | |
| 185 | L | F | -0.7001 | |
| 186 | S | F | -1.2489 | |
| 187 | K | F | -2.0072 | |
| 188 | A | F | -1.9346 | |
| 189 | D | F | -2.7400 | |
| 190 | Y | F | 0.0000 | |
| 191 | E | F | -3.2808 | |
| 192 | K | F | -3.3042 | |
| 193 | H | F | -2.4585 | |
| 194 | K | F | -2.1349 | |
| 195 | V | F | -0.9226 | |
| 196 | Y | F | 0.0000 | |
| 197 | A | F | 0.0000 | |
| 198 | C | F | 0.0000 | |
| 199 | E | F | -0.9233 | |
| 200 | V | F | 0.0000 | |
| 201 | T | F | -1.1941 | |
| 202 | H | F | 0.0000 | |
| 203 | Q | F | -1.3989 | |
| 204 | G | F | -0.5399 | |
| 205 | L | F | -0.2643 | |
| 206 | S | F | -0.4608 | |
| 207 | S | F | -0.4277 | |
| 208 | P | F | -0.5434 | |
| 209 | V | F | -0.1400 | |
| 210 | T | F | -0.5198 | |
| 211 | K | F | -0.7379 | |
| 212 | S | F | -0.6056 | |
| 213 | F | F | 0.0000 | |
| 214 | N | F | -0.9575 | |
| 215 | R | F | -1.1600 | |
| 216 | G | F | -0.8353 | |
| 217 | E | F | 0.0000 | |
| 218 | C | F | 0.0737 | |
| 1 | Q | G | -1.3763 | |
| 2 | V | G | -0.6521 | |
| 3 | Q | G | -0.7650 | |
| 4 | L | G | 0.0000 | |
| 5 | V | G | 0.4193 | |
| 6 | Q | G | 0.0000 | |
| 7 | S | G | -0.2021 | |
| 8 | G | G | 0.2701 | |
| 9 | V | G | 1.4537 | |
| 10 | E | G | 0.4221 | |
| 11 | V | G | 0.2739 | |
| 12 | K | G | -1.0720 | |
| 13 | K | G | -1.9395 | |
| 14 | P | G | -1.5084 | |
| 15 | G | G | -1.3928 | |
| 16 | A | G | -1.3709 | |
| 17 | S | G | -1.7878 | |
| 18 | V | G | 0.0000 | |
| 19 | K | G | -2.2363 | |
| 20 | V | G | 0.0000 | |
| 21 | S | G | -0.5461 | |
| 22 | C | G | 0.0000 | |
| 23 | K | G | -0.7673 | |
| 24 | A | G | 0.0000 | |
| 25 | S | G | -0.7001 | |
| 26 | G | G | -0.9185 | |
| 27 | Y | G | -0.4950 | |
| 28 | T | G | -0.4194 | |
| 29 | F | G | 0.0000 | |
| 30 | T | G | -0.7232 | |
| 31 | N | G | -1.3170 | |
| 32 | Y | G | -0.3069 | |
| 33 | Y | G | -0.2005 | |
| 34 | M | G | 0.0000 | |
| 35 | Y | G | 0.0000 | |
| 36 | W | G | 0.0000 | |
| 37 | V | G | 0.0000 | |
| 38 | R | G | 0.0000 | |
| 39 | Q | G | -0.7712 | |
| 40 | A | G | -1.1075 | |
| 41 | P | G | -1.0658 | |
| 42 | G | G | -1.2535 | |
| 43 | Q | G | -1.8123 | |
| 44 | G | G | -1.2168 | |
| 45 | L | G | 0.0000 | |
| 46 | E | G | -1.0146 | |
| 47 | W | G | 0.0000 | |
| 48 | M | G | 0.0000 | |
| 49 | G | G | 0.0000 | |
| 50 | G | G | 0.0000 | |
| 51 | I | G | 0.0000 | |
| 52 | N | G | 0.0000 | |
| 53 | P | G | -0.9019 | |
| 54 | S | G | -1.1521 | |
| 55 | N | G | -1.6178 | |
| 56 | G | G | -1.1931 | |
| 57 | G | G | -0.9594 | |
| 58 | T | G | -0.5980 | |
| 59 | N | G | -0.7948 | |
| 60 | F | G | -1.2349 | |
| 61 | N | G | -2.0485 | |
| 62 | E | G | -3.2849 | |
| 63 | K | G | -3.1980 | |
| 64 | F | G | 0.0000 | |
| 65 | K | G | -3.2339 | |
| 66 | N | G | -2.7607 | |
| 67 | R | G | -2.1581 | |
| 68 | V | G | 0.0000 | |
| 69 | T | G | -1.1653 | |
| 70 | L | G | 0.0000 | |
| 71 | T | G | -0.3426 | |
| 72 | T | G | -0.7774 | |
| 73 | D | G | -1.1299 | |
| 74 | S | G | -0.7743 | |
| 75 | S | G | -0.5784 | |
| 76 | T | G | -0.6581 | |
| 77 | T | G | -0.7709 | |
| 78 | T | G | 0.0000 | |
| 79 | A | G | 0.0000 | |
| 80 | Y | G | -0.6009 | |
| 81 | M | G | 0.0000 | |
| 82 | E | G | -1.8472 | |
| 83 | L | G | 0.0000 | |
| 84 | K | G | -2.3481 | |
| 85 | S | G | -1.6926 | |
| 86 | L | G | 0.0000 | |
| 87 | Q | G | -1.5025 | |
| 88 | F | G | 0.0953 | |
| 89 | D | G | -1.2658 | |
| 90 | D | G | 0.0000 | |
| 91 | T | G | -0.3030 | |
| 92 | A | G | 0.0000 | |
| 93 | V | G | 0.1150 | |
| 94 | Y | G | 0.0000 | |
| 95 | Y | G | 0.0000 | |
| 96 | C | G | 0.0000 | |
| 97 | A | G | 0.0000 | |
| 98 | R | G | 0.0000 | |
| 99 | R | G | -0.0978 | |
| 100 | D | G | -0.2466 | |
| 101 | Y | G | 0.2090 | |
| 102 | R | G | -0.7062 | |
| 103 | F | G | 1.2227 | |
| 104 | D | G | 0.5480 | |
| 105 | M | G | 0.6784 | |
| 106 | G | G | 0.0000 | |
| 107 | F | G | 0.0000 | |
| 108 | D | G | -0.2510 | |
| 109 | Y | G | 0.2188 | |
| 110 | W | G | -0.0971 | |
| 111 | G | G | 0.0000 | |
| 112 | Q | G | -1.2327 | |
| 113 | G | G | -0.4964 | |
| 114 | T | G | 0.0000 | |
| 115 | T | G | 0.3371 | |
| 116 | V | G | 0.0000 | |
| 117 | T | G | -0.0361 | |
| 118 | V | G | 0.0000 | |
| 119 | S | G | 0.0000 | |
| 120 | S | G | -0.6112 | |
| 121 | A | G | -0.6991 | |
| 122 | S | G | -0.7676 | |
| 123 | T | G | -0.7659 | |
| 124 | K | G | -1.4980 | |
| 125 | G | G | -1.4923 | |
| 126 | P | G | -0.6731 | |
| 127 | S | G | -0.4803 | |
| 128 | V | G | 0.0000 | |
| 129 | F | G | 0.0000 | |
| 130 | P | G | 0.0000 | |
| 131 | L | G | 0.0000 | |
| 132 | A | G | 0.0095 | |
| 133 | P | G | 0.0833 | |
| 134 | C | G | 0.1332 | |
| 135 | S | G | 0.1449 | |
| 136 | R | G | 0.0000 | |
| 137 | S | G | -0.3802 | |
| 138 | T | G | -1.0951 | |
| 139 | S | G | -1.9270 | |
| 140 | E | G | -2.5645 | |
| 141 | S | G | -1.7074 | |
| 142 | T | G | -0.8408 | |
| 143 | A | G | 0.0000 | |
| 144 | A | G | 0.0000 | |
| 145 | L | G | 0.0000 | |
| 146 | G | G | 0.0000 | |
| 147 | C | G | 0.0000 | |
| 148 | L | G | 0.0000 | |
| 149 | V | G | 0.0000 | |
| 150 | K | G | 0.0000 | |
| 151 | D | G | -0.5752 | |
| 152 | Y | G | 0.0000 | |
| 153 | F | G | 0.0000 | |
| 154 | P | G | 0.0000 | |
| 155 | E | G | -0.5806 | |
| 156 | P | G | -0.9521 | |
| 157 | V | G | -0.7713 | |
| 158 | T | G | -0.5783 | |
| 159 | V | G | -0.1254 | |
| 160 | S | G | -0.4594 | |
| 161 | W | G | 0.0000 | |
| 162 | N | G | -0.9061 | |
| 163 | S | G | -0.7984 | |
| 164 | G | G | -0.5859 | |
| 165 | A | G | -0.2606 | |
| 166 | L | G | -0.0523 | |
| 167 | T | G | -0.1549 | |
| 168 | S | G | -0.1395 | |
| 169 | G | G | -0.1398 | |
| 170 | V | G | 0.2329 | |
| 171 | H | G | -0.3164 | |
| 172 | T | G | 0.0132 | |
| 173 | F | G | 0.0000 | |
| 174 | P | G | -0.4122 | |
| 175 | A | G | 0.0497 | |
| 176 | V | G | 0.2995 | |
| 177 | L | G | 0.9594 | |
| 178 | Q | G | 0.1296 | |
| 179 | S | G | -0.1057 | |
| 180 | S | G | -0.2505 | |
| 181 | G | G | 0.0003 | |
| 182 | L | G | -0.1105 | |
| 183 | Y | G | 0.1949 | |
| 184 | S | G | 0.0000 | |
| 185 | L | G | 0.0000 | |
| 186 | S | G | 0.0000 | |
| 187 | S | G | 0.0000 | |
| 188 | V | G | 0.0000 | |
| 189 | V | G | 0.0000 | |
| 190 | T | G | -0.0991 | |
| 191 | V | G | 0.0000 | |
| 192 | P | G | -0.6026 | |
| 193 | S | G | -0.6577 | |
| 194 | S | G | -0.7366 | |
| 195 | S | G | 0.0000 | |
| 196 | L | G | 0.0000 | |
| 197 | G | G | -0.7189 | |
| 198 | T | G | -1.0868 | |
| 199 | K | G | -1.8118 | |
| 200 | T | G | -1.3322 | |
| 201 | Y | G | 0.0000 | |
| 202 | T | G | -1.1229 | |
| 203 | C | G | 0.0000 | |
| 204 | N | G | -1.5055 | |
| 205 | V | G | 0.0000 | |
| 206 | D | G | -1.8469 | |
| 207 | H | G | 0.0000 | |
| 208 | K | G | -2.7882 | |
| 209 | P | G | -1.7571 | |
| 210 | S | G | -1.8960 | |
| 211 | N | G | -2.6131 | |
| 212 | T | G | -2.0496 | |
| 213 | K | G | -2.6350 | |
| 214 | V | G | -1.5146 | |
| 215 | D | G | -2.4908 | |
| 216 | K | G | -1.8234 | |
| 217 | R | G | -1.7001 | |
| 218 | V | G | 0.0000 | |
| 219 | E | G | 0.0000 | |
| 220 | S | G | -1.1630 | |
| 221 | K | G | -1.5948 | |
| 222 | Y | G | 0.3155 | |
| 223 | G | G | -0.1178 | |
| 224 | P | G | -0.6417 | |
| 225 | P | G | -0.6206 | |
| 226 | C | G | -0.3590 | |
| 227 | P | G | 0.0000 | |
| 228 | P | G | 0.2773 | |
| 229 | C | G | 0.2643 | |
| 236 | G | G | -0.8435 | |
| 237 | G | G | -0.8164 | |
| 238 | P | G | -0.6279 | |
| 239 | S | G | -0.2794 | |
| 240 | V | G | 0.0000 | |
| 241 | F | G | 1.2205 | |
| 242 | L | G | 0.8878 | |
| 243 | F | G | 1.0340 | |
| 244 | P | G | -0.1769 | |
| 245 | P | G | 0.0000 | |
| 246 | K | G | -2.3053 | |
| 247 | P | G | -1.5185 | |
| 248 | K | G | -1.3550 | |
| 249 | D | G | 0.0000 | |
| 250 | T | G | 0.0000 | |
| 251 | L | G | 0.0000 | |
| 252 | M | G | 0.2129 | |
| 253 | I | G | 1.3848 | |
| 254 | S | G | -0.1360 | |
| 255 | R | G | -1.5665 | |
| 256 | T | G | -0.8663 | |
| 257 | P | G | 0.0000 | |
| 258 | E | G | -0.9538 | |
| 259 | V | G | 0.0000 | |
| 260 | T | G | 0.2086 | |
| 261 | C | G | 0.0000 | |
| 262 | V | G | 0.0000 | |
| 263 | V | G | 0.0000 | |
| 264 | V | G | -0.2700 | |
| 265 | D | G | -1.2946 | |
| 266 | V | G | 0.0000 | |
| 267 | S | G | -1.7617 | |
| 268 | Q | G | -2.0648 | |
| 269 | E | G | -2.9727 | |
| 270 | D | G | -1.8713 | |
| 271 | P | G | -1.7198 | |
| 272 | E | G | -1.0933 | |
| 273 | V | G | -0.1524 | |
| 274 | Q | G | -0.7634 | |
| 275 | F | G | -0.5517 | |
| 276 | N | G | -1.0957 | |
| 277 | W | G | 0.0000 | |
| 278 | Y | G | -0.7361 | |
| 279 | V | G | -0.8557 | |
| 280 | D | G | -2.0402 | |
| 281 | G | G | -0.8667 | |
| 282 | V | G | 0.6145 | |
| 283 | E | G | -0.6202 | |
| 284 | V | G | -0.7141 | |
| 285 | H | G | -1.8697 | |
| 286 | N | G | -2.1754 | |
| 287 | A | G | -1.8921 | |
| 288 | K | G | -2.3842 | |
| 289 | T | G | -1.5746 | |
| 290 | K | G | -1.9013 | |
| 291 | P | G | -1.5138 | |
| 292 | R | G | -2.5181 | |
| 293 | E | G | -2.9390 | |
| 294 | E | G | -2.8635 | |
| 295 | Q | G | -2.1805 | |
| 296 | F | G | -1.4449 | |
| 297 | N | G | -1.4215 | |
| 298 | S | G | -1.1371 | |
| 299 | T | G | -1.7510 | |
| 300 | Y | G | -2.1662 | |
| 301 | R | G | -1.9611 | |
| 302 | V | G | 0.0000 | |
| 303 | V | G | -0.5841 | |
| 304 | S | G | 0.0000 | |
| 305 | V | G | 0.0000 | |
| 306 | L | G | 0.0000 | |
| 307 | T | G | -0.6637 | |
| 308 | V | G | 0.0000 | |
| 309 | L | G | 0.9176 | |
| 310 | H | G | 0.0000 | |
| 311 | Q | G | -1.1207 | |
| 312 | D | G | -1.3726 | |
| 313 | W | G | 0.0000 | |
| 314 | L | G | -0.9494 | |
| 315 | N | G | -2.1566 | |
| 316 | G | G | -2.0801 | |
| 317 | K | G | -2.3406 | |
| 318 | E | G | -2.1920 | |
| 319 | Y | G | 0.0000 | |
| 320 | K | G | -1.6595 | |
| 321 | C | G | 0.0000 | |
| 322 | K | G | -1.6593 | |
| 323 | V | G | 0.0000 | |
| 324 | S | G | -0.9924 | |
| 325 | N | G | 0.0000 | |
| 326 | K | G | -2.3351 | |
| 327 | G | G | -1.5976 | |
| 328 | L | G | -0.7181 | |
| 329 | P | G | -0.6261 | |
| 330 | S | G | -0.5186 | |
| 331 | S | G | -0.8446 | |
| 332 | I | G | -0.9560 | |
| 333 | E | G | -2.1666 | |
| 334 | K | G | -1.2505 | |
| 335 | T | G | -1.0364 | |
| 336 | I | G | -0.2622 | |
| 337 | S | G | -1.1469 | |
| 338 | K | G | -1.3521 | |
| 339 | A | G | -1.2415 | |
| 340 | K | G | -2.3353 | |
| 341 | G | G | -1.9618 | |
| 342 | Q | G | -1.9311 | |
| 343 | P | G | -1.7515 | |
| 344 | R | G | -2.0228 | |
| 345 | E | G | -2.4205 | |
| 346 | P | G | 0.0000 | |
| 347 | Q | G | -1.0674 | |
| 348 | V | G | 0.0000 | |
| 349 | Y | G | 0.0000 | |
| 350 | T | G | 0.0000 | |
| 351 | L | G | 0.0000 | |
| 352 | P | G | -0.2943 | |
| 353 | P | G | -0.7241 | |
| 354 | S | G | -1.2493 | |
| 355 | Q | G | -2.0777 | |
| 356 | E | G | -2.5275 | |
| 357 | E | G | 0.0000 | |
| 358 | M | G | -1.7200 | |
| 359 | T | G | -1.5622 | |
| 360 | K | G | -2.3293 | |
| 361 | N | G | -2.5660 | |
| 362 | Q | G | -2.3975 | |
| 363 | V | G | 0.0000 | |
| 364 | S | G | 0.0000 | |
| 365 | L | G | 0.0000 | |
| 366 | T | G | 0.0000 | |
| 367 | C | G | 0.0000 | |
| 368 | L | G | 0.0000 | |
| 369 | V | G | 0.0000 | |
| 370 | K | G | -0.5421 | |
| 371 | G | G | -1.0333 | |
| 372 | F | G | 0.0000 | |
| 373 | Y | G | -1.1564 | |
| 374 | P | G | 0.0000 | |
| 375 | S | G | -0.4830 | |
| 376 | D | G | -1.6241 | |
| 377 | I | G | -0.8213 | |
| 378 | A | G | 0.0000 | |
| 379 | V | G | -0.2131 | |
| 380 | E | G | -1.0595 | |
| 381 | W | G | 0.0000 | |
| 382 | E | G | -1.9677 | |
| 383 | S | G | 0.0000 | |
| 384 | N | G | -1.8843 | |
| 385 | G | G | -1.7939 | |
| 386 | Q | G | -2.1440 | |
| 387 | P | G | -1.8720 | |
| 388 | E | G | -2.0208 | |
| 389 | N | G | -2.2582 | |
| 390 | N | G | -2.0513 | |
| 391 | Y | G | -1.3202 | |
| 392 | K | G | -1.1039 | |
| 393 | T | G | -0.3974 | |
| 394 | T | G | 0.0000 | |
| 395 | P | G | -0.0667 | |
| 396 | P | G | 0.0733 | |
| 397 | V | G | 0.6129 | |
| 398 | L | G | 0.8599 | |
| 399 | D | G | -0.4507 | |
| 400 | S | G | -1.0653 | |
| 401 | D | G | -1.8956 | |
| 402 | G | G | -0.9848 | |
| 403 | S | G | 0.0000 | |
| 404 | F | G | 0.1242 | |
| 405 | F | G | 0.0000 | |
| 406 | L | G | 0.0000 | |
| 407 | Y | G | 0.0000 | |
| 408 | S | G | 0.0000 | |
| 409 | R | G | 0.0000 | |
| 410 | L | G | 0.0000 | |
| 411 | T | G | -1.1131 | |
| 412 | V | G | 0.0000 | |
| 413 | D | G | -2.5194 | |
| 414 | K | G | -2.5466 | |
| 415 | S | G | -2.1943 | |
| 416 | R | G | -2.0150 | |
| 417 | W | G | 0.0000 | |
| 418 | Q | G | -2.1534 | |
| 419 | Q | G | -2.0903 | |
| 420 | G | G | -1.2491 | |
| 421 | N | G | -1.0273 | |
| 422 | V | G | -0.3490 | |
| 423 | F | G | 0.0000 | |
| 424 | S | G | -1.0803 | |
| 425 | C | G | 0.0000 | |
| 426 | S | G | 0.0000 | |
| 427 | V | G | 0.0000 | |
| 428 | M | G | 0.0000 | |
| 429 | H | G | 0.0000 | |
| 430 | E | G | -1.1738 | |
| 431 | A | G | -1.4209 | |
| 432 | L | G | -1.3353 | |
| 433 | H | G | -1.7229 | |
| 434 | N | G | -1.6523 | |
| 435 | H | G | -0.9439 | |
| 436 | Y | G | -0.3322 | |
| 437 | T | G | -0.5890 | |
| 438 | Q | G | -0.9311 | |
| 439 | K | G | -0.8234 | |
| 440 | S | G | -0.6650 | |
| 441 | L | G | 0.0000 | |
| 442 | S | G | -0.1684 | |
| 443 | L | G | -0.1681 | |
| 444 | S | G | -0.1556 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6277 | 3.8262 | View | CSV | PDB |
| 4.5 | -0.6766 | 3.8127 | View | CSV | PDB |
| 5.0 | -0.7355 | 3.7989 | View | CSV | PDB |
| 5.5 | -0.7922 | 3.7976 | View | CSV | PDB |
| 6.0 | -0.8332 | 3.8185 | View | CSV | PDB |
| 6.5 | -0.8484 | 3.8627 | View | CSV | PDB |
| 7.0 | -0.8377 | 3.926 | View | CSV | PDB |
| 7.5 | -0.81 | 4.0017 | View | CSV | PDB |
| 8.0 | -0.7733 | 4.0829 | View | CSV | PDB |
| 8.5 | -0.7306 | 4.1655 | View | CSV | PDB |
| 9.0 | -0.6823 | 4.2466 | View | CSV | PDB |
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