| Chain sequence(s) |
A: DVQMTQSPSSLSASVGDRVTITCQASEDIYSNLAWYQQKPGKAPKLLIYDASTLASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCLGVYTHISADVAFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: EVQLLESGGGLVQPGGSLRLSCAASGFSLSSSYWICWVRQAPGKGLEWIGCIYAGGSVGISYYASWVNGRFTLSRDISKNTGYLQMNSLRAEDTAVYYCARGGSINYYQFWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK B: DVQMTQSPSSLSASVGDRVTITCQASEDIYSNLAWYQQKPGKAPKLLIYDASTLASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCLGVYTHISADVAFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: EVQLLESGGGLVQPGGSLRLSCAASGFSLSSSYWICWVRQAPGKGLEWIGCIYAGGSVGISYYASWVNGRFTLSRDISKNTGYLQMNSLRAEDTAVYYCARGGSINYYQFWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK input PDB |
| Selected Chain(s) | A,C,B,D |
| 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] (00:00:07)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:07)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:07)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:07)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5e5fd9c9cce2278/tmp/folded.pdb (00:19:49)
[INFO] Main: Simulation completed successfully. (00:30:42)
|
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 | D | A | -2.2211 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -1.9301 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.8261 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.4479 | |
| 8 | P | A | 0.0000 | |
| 9 | S | A | -0.8249 | |
| 10 | S | A | 0.0000 | |
| 11 | L | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | -0.0249 | |
| 15 | V | A | 0.7752 | |
| 16 | G | A | -0.2927 | |
| 17 | D | A | -1.0003 | |
| 18 | R | A | -1.4368 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | 0.0000 | |
| 23 | C | A | 0.0000 | |
| 24 | Q | A | -0.8107 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.1480 | |
| 27 | E | A | -1.0102 | |
| 28 | D | A | -0.4237 | |
| 29 | I | A | 0.0000 | |
| 30 | Y | A | 0.0330 | |
| 31 | S | A | -0.3923 | |
| 32 | N | A | -0.4240 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.6646 | |
| 40 | P | A | -1.5901 | |
| 41 | G | A | -1.6573 | |
| 42 | K | A | -2.6007 | |
| 43 | A | A | -1.6225 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.6619 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | -0.1728 | |
| 50 | D | A | -0.9061 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.3283 | |
| 53 | T | A | -0.0479 | |
| 54 | L | A | 0.2869 | |
| 55 | A | A | -0.2066 | |
| 56 | S | A | -0.3427 | |
| 57 | G | A | -0.4477 | |
| 58 | V | A | -0.2962 | |
| 59 | P | A | -0.2849 | |
| 60 | S | A | -0.3577 | |
| 61 | R | A | -0.6100 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.2225 | |
| 64 | G | A | -0.1854 | |
| 65 | S | A | -0.5481 | |
| 66 | G | A | 0.0000 | |
| 67 | S | A | -0.4429 | |
| 68 | G | A | 0.0000 | |
| 69 | T | A | -0.4728 | |
| 70 | D | A | -0.4700 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.3451 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -0.8935 | |
| 77 | S | A | -0.6792 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.9044 | |
| 80 | P | A | -0.7234 | |
| 81 | E | A | -1.5144 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | -0.3465 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -0.6787 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | G | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | Y | A | -0.2727 | |
| 93 | T | A | 0.4079 | |
| 94 | H | A | 0.7173 | |
| 95 | I | A | 1.7079 | |
| 96 | S | A | 0.3550 | |
| 97 | A | A | 0.0000 | |
| 98 | D | A | -0.6378 | |
| 99 | V | A | 0.0000 | |
| 100 | A | A | -0.8666 | |
| 101 | F | A | -0.5594 | |
| 102 | G | A | 0.0000 | |
| 103 | Q | A | -1.8332 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | 0.0000 | |
| 106 | K | A | -1.0197 | |
| 107 | V | A | 0.0000 | |
| 108 | E | A | 0.0000 | |
| 109 | I | A | -0.1233 | |
| 110 | K | A | -0.6462 | |
| 111 | R | A | -0.7297 | |
| 112 | T | A | 0.0296 | |
| 113 | V | A | 0.6300 | |
| 114 | A | A | 0.1572 | |
| 115 | A | A | -0.0741 | |
| 116 | P | A | 0.0000 | |
| 117 | S | A | -0.2235 | |
| 118 | V | A | 0.0000 | |
| 119 | F | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | P | A | -0.6766 | |
| 123 | P | A | 0.0000 | |
| 124 | S | A | -1.6126 | |
| 125 | D | A | -2.9339 | |
| 126 | E | A | -2.9769 | |
| 127 | Q | A | 0.0000 | |
| 128 | L | A | -2.2858 | |
| 129 | K | A | -2.8543 | |
| 130 | S | A | -1.7705 | |
| 131 | G | A | -1.2553 | |
| 132 | T | A | -0.9704 | |
| 133 | A | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | C | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | N | A | 0.0000 | |
| 141 | N | A | -0.7077 | |
| 142 | F | A | 0.0000 | |
| 143 | Y | A | 0.0000 | |
| 144 | P | A | -0.6392 | |
| 145 | R | A | -1.2901 | |
| 146 | E | A | -1.7812 | |
| 147 | A | A | -1.5696 | |
| 148 | K | A | -2.0757 | |
| 149 | V | A | -0.9898 | |
| 150 | Q | A | -0.5533 | |
| 151 | W | A | 0.0000 | |
| 152 | K | A | -0.5679 | |
| 153 | V | A | 0.0000 | |
| 154 | D | A | -1.9681 | |
| 155 | N | A | -1.6942 | |
| 156 | A | A | -0.4443 | |
| 157 | L | A | 0.2949 | |
| 158 | Q | A | -0.2751 | |
| 159 | S | A | -0.4857 | |
| 160 | G | A | -0.8573 | |
| 161 | N | A | -0.7398 | |
| 162 | S | A | -0.9788 | |
| 163 | Q | A | -1.1256 | |
| 164 | E | A | -1.4536 | |
| 165 | S | A | -0.6031 | |
| 166 | V | A | -0.5387 | |
| 167 | T | A | 0.0000 | |
| 168 | E | A | -2.1109 | |
| 169 | Q | A | -1.6134 | |
| 170 | D | A | -1.8301 | |
| 171 | S | A | -1.6166 | |
| 172 | K | A | -2.1707 | |
| 173 | D | A | -1.5574 | |
| 174 | S | A | -1.5066 | |
| 175 | T | A | 0.0000 | |
| 176 | Y | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | T | A | -0.5262 | |
| 182 | L | A | 0.0000 | |
| 183 | T | A | -0.3757 | |
| 184 | L | A | -0.5419 | |
| 185 | S | A | -0.9200 | |
| 186 | K | A | -1.9237 | |
| 187 | A | A | -1.7161 | |
| 188 | D | A | -2.2498 | |
| 189 | Y | A | 0.0000 | |
| 190 | E | A | -3.3489 | |
| 191 | K | A | -3.5111 | |
| 192 | H | A | -2.9147 | |
| 193 | K | A | -3.1136 | |
| 194 | V | A | -1.2878 | |
| 195 | Y | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | C | A | 0.0000 | |
| 198 | E | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | T | A | -0.9177 | |
| 201 | H | A | 0.0000 | |
| 202 | Q | A | -1.4168 | |
| 203 | G | A | -0.3565 | |
| 204 | L | A | -0.1881 | |
| 205 | S | A | -0.4148 | |
| 206 | S | A | -0.3812 | |
| 207 | P | A | -0.4114 | |
| 208 | V | A | -0.1386 | |
| 209 | T | A | 0.0000 | |
| 210 | K | A | -1.2226 | |
| 211 | S | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | N | A | -2.0772 | |
| 214 | R | A | -2.2094 | |
| 215 | G | A | -1.8439 | |
| 216 | E | A | -2.5026 | |
| 217 | C | A | -1.0935 | |
| 1 | D | B | -2.2312 | |
| 2 | V | B | 0.0000 | |
| 3 | Q | B | -1.9476 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.8306 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | 0.0000 | |
| 8 | P | B | 0.0000 | |
| 9 | S | B | -0.7882 | |
| 10 | S | B | 0.0000 | |
| 11 | L | B | 0.0000 | |
| 12 | S | B | 0.0000 | |
| 13 | A | B | 0.0000 | |
| 14 | S | B | -0.0649 | |
| 15 | V | B | 0.7408 | |
| 16 | G | B | -0.2902 | |
| 17 | D | B | -0.9385 | |
| 18 | R | B | -1.3664 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | 0.0000 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | 0.0000 | |
| 23 | C | B | 0.0000 | |
| 24 | Q | B | -0.8483 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.1414 | |
| 27 | E | B | -1.0106 | |
| 28 | D | B | 0.0000 | |
| 29 | I | B | 0.0000 | |
| 30 | Y | B | 0.0128 | |
| 31 | S | B | -0.4567 | |
| 32 | N | B | -0.4582 | |
| 33 | L | B | 0.0000 | |
| 34 | A | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | K | B | -1.6818 | |
| 40 | P | B | -1.5916 | |
| 41 | G | B | -1.6395 | |
| 42 | K | B | -2.6119 | |
| 43 | A | B | -1.6306 | |
| 44 | P | B | 0.0000 | |
| 45 | K | B | -1.7185 | |
| 46 | L | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | -0.2332 | |
| 50 | D | B | -1.0397 | |
| 51 | A | B | 0.0000 | |
| 52 | S | B | -0.3756 | |
| 53 | T | B | -0.0844 | |
| 54 | L | B | 0.2698 | |
| 55 | A | B | -0.2261 | |
| 56 | S | B | -0.3428 | |
| 57 | G | B | -0.4441 | |
| 58 | V | B | -0.2943 | |
| 59 | P | B | -0.2835 | |
| 60 | S | B | -0.3599 | |
| 61 | R | B | -0.6202 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | -0.2030 | |
| 64 | G | B | 0.0000 | |
| 65 | S | B | -0.5788 | |
| 66 | G | B | -0.4924 | |
| 67 | S | B | -0.5273 | |
| 68 | G | B | 0.0000 | |
| 69 | T | B | -0.4741 | |
| 70 | D | B | -0.5259 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.3266 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -0.8651 | |
| 77 | S | B | -0.6693 | |
| 78 | L | B | 0.0000 | |
| 79 | Q | B | -0.9076 | |
| 80 | P | B | -0.7012 | |
| 81 | E | B | -1.4310 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | -0.3679 | |
| 84 | A | B | 0.0000 | |
| 85 | T | B | -0.7653 | |
| 86 | Y | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | L | B | 0.0000 | |
| 90 | G | B | 0.0000 | |
| 91 | V | B | 0.0000 | |
| 92 | Y | B | -0.2717 | |
| 93 | T | B | 0.3876 | |
| 94 | H | B | 0.6437 | |
| 95 | I | B | 1.5772 | |
| 96 | S | B | 0.2601 | |
| 97 | A | B | 0.0000 | |
| 98 | D | B | -0.6775 | |
| 99 | V | B | 0.0000 | |
| 100 | A | B | -0.8677 | |
| 101 | F | B | -0.5558 | |
| 102 | G | B | 0.0000 | |
| 103 | Q | B | -1.8390 | |
| 104 | G | B | 0.0000 | |
| 105 | T | B | 0.0000 | |
| 106 | K | B | -1.1937 | |
| 107 | V | B | 0.0000 | |
| 108 | E | B | 0.0000 | |
| 109 | I | B | -0.1985 | |
| 110 | K | B | -0.7956 | |
| 111 | R | B | -0.7808 | |
| 112 | T | B | 0.0254 | |
| 113 | V | B | 0.6574 | |
| 114 | A | B | 0.1712 | |
| 115 | A | B | -0.0709 | |
| 116 | P | B | 0.0000 | |
| 117 | S | B | -0.2131 | |
| 118 | V | B | 0.0000 | |
| 119 | F | B | 0.0000 | |
| 120 | I | B | 0.0000 | |
| 121 | F | B | 0.0000 | |
| 122 | P | B | -0.7017 | |
| 123 | P | B | 0.0000 | |
| 124 | S | B | -1.8283 | |
| 125 | D | B | -2.9997 | |
| 126 | E | B | -3.1112 | |
| 127 | Q | B | 0.0000 | |
| 128 | L | B | -2.3050 | |
| 129 | K | B | -2.9003 | |
| 130 | S | B | -1.7965 | |
| 131 | G | B | -1.2616 | |
| 132 | T | B | -1.0356 | |
| 133 | A | B | 0.0000 | |
| 134 | S | B | 0.0000 | |
| 135 | V | B | 0.0000 | |
| 136 | V | B | 0.0000 | |
| 137 | C | B | 0.0000 | |
| 138 | L | B | 0.0000 | |
| 139 | L | B | 0.0000 | |
| 140 | N | B | 0.0000 | |
| 141 | N | B | -0.7603 | |
| 142 | F | B | 0.0000 | |
| 143 | Y | B | 0.0000 | |
| 144 | P | B | -0.6616 | |
| 145 | R | B | -1.2790 | |
| 146 | E | B | -1.8358 | |
| 147 | A | B | -1.6074 | |
| 148 | K | B | -2.0749 | |
| 149 | V | B | -0.9208 | |
| 150 | Q | B | -0.4958 | |
| 151 | W | B | 0.0000 | |
| 152 | K | B | -0.5938 | |
| 153 | V | B | 0.0000 | |
| 154 | D | B | -1.7831 | |
| 155 | N | B | -1.6371 | |
| 156 | A | B | -0.3363 | |
| 157 | L | B | 0.4954 | |
| 158 | Q | B | -0.1994 | |
| 159 | S | B | -0.4450 | |
| 160 | G | B | -0.8618 | |
| 161 | N | B | -0.7458 | |
| 162 | S | B | -0.9529 | |
| 163 | Q | B | -1.0681 | |
| 164 | E | B | -1.3167 | |
| 165 | S | B | -0.5261 | |
| 166 | V | B | -0.4773 | |
| 167 | T | B | 0.0000 | |
| 168 | E | B | -2.1044 | |
| 169 | Q | B | -1.6239 | |
| 170 | D | B | -1.8740 | |
| 171 | S | B | -1.6404 | |
| 172 | K | B | -2.2065 | |
| 173 | D | B | -1.6316 | |
| 174 | S | B | -1.5649 | |
| 175 | T | B | 0.0000 | |
| 176 | Y | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | L | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | S | B | 0.0000 | |
| 181 | T | B | -0.4969 | |
| 182 | L | B | 0.0000 | |
| 183 | T | B | -0.4245 | |
| 184 | L | B | -0.6409 | |
| 185 | S | B | -1.0368 | |
| 186 | K | B | -1.9851 | |
| 187 | A | B | -1.8347 | |
| 188 | D | B | -2.6053 | |
| 189 | Y | B | 0.0000 | |
| 190 | E | B | -3.2228 | |
| 191 | K | B | -3.4621 | |
| 192 | H | B | -2.7299 | |
| 193 | K | B | -3.0134 | |
| 194 | V | B | -1.6169 | |
| 195 | Y | B | 0.0000 | |
| 196 | A | B | 0.0000 | |
| 197 | C | B | 0.0000 | |
| 198 | E | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | T | B | -0.9658 | |
| 201 | H | B | 0.0000 | |
| 202 | Q | B | -1.4285 | |
| 203 | G | B | -0.3573 | |
| 204 | L | B | -0.1728 | |
| 205 | S | B | -0.4137 | |
| 206 | S | B | -0.4055 | |
| 207 | P | B | -0.4639 | |
| 208 | V | B | -0.0629 | |
| 209 | T | B | 0.0000 | |
| 210 | K | B | -1.2227 | |
| 211 | S | B | 0.0000 | |
| 212 | F | B | 0.0000 | |
| 213 | N | B | -2.2073 | |
| 214 | R | B | -2.1784 | |
| 215 | G | B | -1.8415 | |
| 216 | E | B | -2.5577 | |
| 217 | C | B | -1.1142 | |
| 1 | E | C | -2.0502 | |
| 2 | V | C | -1.0513 | |
| 3 | Q | C | -0.9587 | |
| 4 | L | C | 0.0000 | |
| 5 | L | C | 0.7017 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.3205 | |
| 8 | G | C | -0.7090 | |
| 9 | G | C | -0.0626 | |
| 10 | G | C | 0.3291 | |
| 11 | L | C | 0.4393 | |
| 12 | V | C | -0.4384 | |
| 13 | Q | C | -1.4802 | |
| 14 | P | C | -1.6366 | |
| 15 | G | C | -1.3920 | |
| 16 | G | C | -1.0996 | |
| 17 | S | C | -1.1830 | |
| 18 | L | C | -1.0173 | |
| 19 | R | C | -1.9305 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.5046 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.1571 | |
| 24 | A | C | -0.2561 | |
| 25 | S | C | -0.7246 | |
| 26 | G | C | -1.1911 | |
| 27 | F | C | -0.4866 | |
| 28 | S | C | -0.3154 | |
| 29 | L | C | 0.0000 | |
| 30 | S | C | -0.3421 | |
| 31 | S | C | -0.2614 | |
| 32 | S | C | -0.4619 | |
| 33 | Y | C | -0.1150 | |
| 34 | W | C | 0.0000 | |
| 35 | I | C | 0.0000 | |
| 36 | C | C | 0.0000 | |
| 37 | W | C | 0.0000 | |
| 38 | V | C | 0.0000 | |
| 39 | R | C | 0.0000 | |
| 40 | Q | C | -0.7385 | |
| 41 | A | C | -1.1035 | |
| 42 | P | C | -0.8484 | |
| 43 | G | C | -1.4941 | |
| 44 | K | C | -2.3948 | |
| 45 | G | C | -1.6612 | |
| 46 | L | C | 0.0000 | |
| 47 | E | C | -1.1930 | |
| 48 | W | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | G | C | 0.0000 | |
| 51 | C | C | 0.0000 | |
| 52 | I | C | 0.0000 | |
| 53 | Y | C | 0.0000 | |
| 54 | A | C | 0.0000 | |
| 55 | G | C | 0.0000 | |
| 56 | G | C | -0.5345 | |
| 57 | S | C | -0.1903 | |
| 58 | V | C | -0.1492 | |
| 59 | G | C | -0.3841 | |
| 60 | I | C | 0.0000 | |
| 61 | S | C | 0.0000 | |
| 62 | Y | C | 0.0000 | |
| 63 | Y | C | -0.2942 | |
| 64 | A | C | 0.0000 | |
| 65 | S | C | -0.7616 | |
| 66 | W | C | -0.3796 | |
| 67 | V | C | 0.0000 | |
| 68 | N | C | -1.5687 | |
| 69 | G | C | -1.3695 | |
| 70 | R | C | 0.0000 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.6668 | |
| 73 | L | C | 0.0000 | |
| 74 | S | C | -0.3853 | |
| 75 | R | C | -0.7435 | |
| 76 | D | C | -1.0232 | |
| 77 | I | C | -0.4904 | |
| 78 | S | C | -0.9858 | |
| 79 | K | C | -1.8928 | |
| 80 | N | C | -1.0713 | |
| 81 | T | C | 0.0000 | |
| 82 | G | C | 0.0000 | |
| 83 | Y | C | 0.0000 | |
| 84 | L | C | 0.0000 | |
| 85 | Q | C | -1.2668 | |
| 86 | M | C | 0.0000 | |
| 87 | N | C | -1.3075 | |
| 88 | S | C | -1.1427 | |
| 89 | L | C | 0.0000 | |
| 90 | R | C | -2.3456 | |
| 91 | A | C | -1.7121 | |
| 92 | E | C | -2.2336 | |
| 93 | D | C | 0.0000 | |
| 94 | T | C | -0.4947 | |
| 95 | A | C | 0.0000 | |
| 96 | V | C | 0.5291 | |
| 97 | Y | C | 0.0000 | |
| 98 | Y | C | 0.0000 | |
| 99 | C | C | 0.0000 | |
| 100 | A | C | 0.0000 | |
| 101 | R | C | 0.0000 | |
| 102 | G | C | 0.0000 | |
| 103 | G | C | -0.2850 | |
| 104 | S | C | -0.3063 | |
| 105 | I | C | 0.0000 | |
| 106 | N | C | -0.3099 | |
| 107 | Y | C | -0.1331 | |
| 108 | Y | C | 0.0000 | |
| 109 | Q | C | -0.4440 | |
| 110 | F | C | 0.1993 | |
| 111 | W | C | -0.2774 | |
| 112 | G | C | 0.0000 | |
| 113 | Q | C | -1.4376 | |
| 114 | G | C | 0.0000 | |
| 115 | T | C | 0.4705 | |
| 116 | L | C | 1.3339 | |
| 117 | V | C | 0.0000 | |
| 118 | T | C | -0.0801 | |
| 119 | V | C | 0.0000 | |
| 120 | S | C | -0.9228 | |
| 121 | S | C | -0.7925 | |
| 122 | A | C | -0.4583 | |
| 123 | S | C | -0.5426 | |
| 124 | T | C | -0.5971 | |
| 125 | K | C | -1.1786 | |
| 126 | G | C | -1.3213 | |
| 127 | P | C | 0.0000 | |
| 128 | S | C | -0.3988 | |
| 129 | V | C | 0.0000 | |
| 130 | F | C | 0.0000 | |
| 131 | P | C | -1.1403 | |
| 132 | L | C | 0.0000 | |
| 133 | A | C | -1.3097 | |
| 134 | P | C | 0.0000 | |
| 135 | S | C | 0.0000 | |
| 136 | S | C | -1.2883 | |
| 137 | K | C | -1.4448 | |
| 138 | S | C | 0.0000 | |
| 139 | T | C | -0.6645 | |
| 140 | S | C | -0.5899 | |
| 141 | G | C | -0.7915 | |
| 142 | G | C | -0.8836 | |
| 143 | T | C | -0.6210 | |
| 144 | A | C | 0.0000 | |
| 145 | A | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | G | C | 0.0000 | |
| 148 | C | C | 0.0000 | |
| 149 | L | C | 0.0000 | |
| 150 | V | C | 0.0000 | |
| 151 | K | C | 0.0000 | |
| 152 | D | C | -0.3466 | |
| 153 | Y | C | 0.0000 | |
| 154 | F | C | 0.0000 | |
| 155 | P | C | 0.0000 | |
| 156 | E | C | -0.6219 | |
| 157 | P | C | -0.8081 | |
| 158 | V | C | -0.7672 | |
| 159 | T | C | -0.5766 | |
| 160 | V | C | -0.2786 | |
| 161 | S | C | -0.3425 | |
| 162 | W | C | 0.0000 | |
| 163 | N | C | -0.6852 | |
| 164 | S | C | -0.6121 | |
| 165 | G | C | -0.4882 | |
| 166 | A | C | -0.2298 | |
| 167 | L | C | 0.0321 | |
| 168 | T | C | -0.1577 | |
| 169 | S | C | -0.1643 | |
| 170 | G | C | -0.2345 | |
| 171 | V | C | 0.1863 | |
| 172 | H | C | -0.3070 | |
| 173 | T | C | -0.1652 | |
| 174 | F | C | 0.0000 | |
| 175 | P | C | -0.3818 | |
| 176 | A | C | 0.1256 | |
| 177 | V | C | 0.4612 | |
| 178 | L | C | 1.0829 | |
| 179 | Q | C | 0.2720 | |
| 180 | S | C | -0.0623 | |
| 181 | S | C | -0.1891 | |
| 182 | G | C | 0.0189 | |
| 183 | L | C | 0.0685 | |
| 184 | Y | C | 0.3198 | |
| 185 | S | C | 0.0000 | |
| 186 | L | C | 0.0000 | |
| 187 | S | C | 0.0000 | |
| 188 | S | C | 0.0000 | |
| 189 | V | C | 0.0000 | |
| 190 | V | C | 0.0000 | |
| 191 | T | C | -0.1222 | |
| 192 | V | C | 0.0000 | |
| 193 | P | C | -0.6167 | |
| 194 | S | C | -0.5703 | |
| 195 | S | C | -0.5904 | |
| 196 | S | C | -0.5817 | |
| 197 | L | C | -0.7783 | |
| 198 | G | C | -0.9514 | |
| 199 | T | C | -0.6985 | |
| 200 | Q | C | -1.1557 | |
| 201 | T | C | -1.0381 | |
| 202 | Y | C | 0.0000 | |
| 203 | I | C | -1.0737 | |
| 204 | C | C | 0.0000 | |
| 205 | N | C | -1.3469 | |
| 206 | V | C | 0.0000 | |
| 207 | N | C | -1.8382 | |
| 208 | H | C | 0.0000 | |
| 209 | K | C | -2.7586 | |
| 210 | P | C | -1.6300 | |
| 211 | S | C | -1.8087 | |
| 212 | N | C | -2.5699 | |
| 213 | T | C | -2.0378 | |
| 214 | K | C | -2.5829 | |
| 215 | V | C | -1.4372 | |
| 216 | D | C | -2.1844 | |
| 217 | K | C | -1.9902 | |
| 218 | K | C | -2.3418 | |
| 219 | V | C | 0.0000 | |
| 220 | E | C | -2.7305 | |
| 221 | P | C | -1.9209 | |
| 222 | K | C | -2.3085 | |
| 223 | S | C | -1.4296 | |
| 224 | C | C | -1.8786 | |
| 225 | D | C | -2.9010 | |
| 226 | K | C | -2.8328 | |
| 227 | T | C | -1.5956 | |
| 228 | H | C | -1.3118 | |
| 229 | T | C | -0.2817 | |
| 230 | C | C | 0.2221 | |
| 231 | P | C | 0.0045 | |
| 232 | P | C | 0.0291 | |
| 233 | C | C | 0.4617 | |
| 234 | P | C | 0.0172 | |
| 235 | A | C | -0.2505 | |
| 236 | P | C | -0.6692 | |
| 237 | E | C | -1.0811 | |
| 238 | L | C | 1.2812 | |
| 239 | L | C | 1.3772 | |
| 240 | G | C | 0.1283 | |
| 241 | G | C | -0.3437 | |
| 242 | P | C | 0.0000 | |
| 243 | S | C | -0.2906 | |
| 244 | V | C | 0.0000 | |
| 245 | F | C | -0.0257 | |
| 246 | L | C | -0.1239 | |
| 247 | F | C | 0.0000 | |
| 248 | P | C | -0.4526 | |
| 249 | P | C | 0.0000 | |
| 250 | K | C | -1.1700 | |
| 251 | P | C | -0.8088 | |
| 252 | K | C | -0.9822 | |
| 253 | D | C | -0.9431 | |
| 254 | T | C | 0.0000 | |
| 255 | L | C | 0.0000 | |
| 256 | M | C | 0.2245 | |
| 257 | I | C | 1.2285 | |
| 258 | S | C | 0.0602 | |
| 259 | R | C | -1.1093 | |
| 260 | T | C | -0.6766 | |
| 261 | P | C | 0.0000 | |
| 262 | E | C | -1.3474 | |
| 263 | V | C | 0.0000 | |
| 264 | T | C | -0.4665 | |
| 265 | C | C | 0.0000 | |
| 266 | V | C | 0.0000 | |
| 267 | V | C | 0.0000 | |
| 268 | V | C | 0.0000 | |
| 269 | D | C | -1.1227 | |
| 270 | V | C | 0.0000 | |
| 271 | S | C | -1.8404 | |
| 272 | H | C | -1.8897 | |
| 273 | E | C | -2.6731 | |
| 274 | D | C | -2.3565 | |
| 275 | P | C | -2.5103 | |
| 276 | E | C | -3.1006 | |
| 277 | V | C | -2.0889 | |
| 278 | K | C | -2.2779 | |
| 279 | F | C | -1.3316 | |
| 280 | N | C | -1.0800 | |
| 281 | W | C | 0.0000 | |
| 282 | Y | C | -0.4718 | |
| 283 | V | C | -0.5245 | |
| 284 | D | C | -1.5315 | |
| 285 | G | C | -0.6040 | |
| 286 | V | C | 0.7445 | |
| 287 | E | C | -0.6439 | |
| 288 | V | C | -0.5565 | |
| 289 | H | C | -1.8930 | |
| 290 | N | C | -2.1947 | |
| 291 | A | C | -1.8149 | |
| 292 | K | C | -2.2211 | |
| 293 | T | C | -1.5577 | |
| 294 | K | C | -1.4262 | |
| 295 | P | C | -1.5628 | |
| 296 | R | C | -2.2791 | |
| 297 | E | C | 0.0000 | |
| 298 | E | C | -0.9642 | |
| 299 | Q | C | 0.0000 | |
| 300 | Y | C | -0.4604 | |
| 301 | N | C | -1.0779 | |
| 302 | S | C | -1.0187 | |
| 303 | T | C | -1.0892 | |
| 304 | Y | C | -1.0646 | |
| 305 | R | C | 0.0000 | |
| 306 | V | C | 0.0000 | |
| 307 | V | C | 0.0000 | |
| 308 | S | C | 0.0000 | |
| 309 | V | C | 0.0000 | |
| 310 | L | C | 0.0000 | |
| 311 | T | C | -0.8538 | |
| 312 | V | C | 0.0000 | |
| 313 | L | C | 0.2300 | |
| 314 | H | C | -0.4022 | |
| 315 | Q | C | -1.3636 | |
| 316 | D | C | -1.4986 | |
| 317 | W | C | 0.0000 | |
| 318 | L | C | -1.2507 | |
| 319 | N | C | -2.0857 | |
| 320 | G | C | 0.0000 | |
| 321 | K | C | -1.9582 | |
| 322 | E | C | -1.5386 | |
| 323 | Y | C | 0.0000 | |
| 324 | K | C | -1.3030 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -1.4070 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | -1.4915 | |
| 329 | N | C | 0.0000 | |
| 330 | K | C | -2.5370 | |
| 331 | A | C | -1.5102 | |
| 332 | L | C | -0.6404 | |
| 333 | P | C | -0.5441 | |
| 334 | A | C | -0.4461 | |
| 335 | P | C | -0.9583 | |
| 336 | I | C | -0.5973 | |
| 337 | E | C | -1.7433 | |
| 338 | K | C | -1.3617 | |
| 339 | T | C | -1.1881 | |
| 340 | I | C | -0.2227 | |
| 341 | S | C | -1.0653 | |
| 342 | K | C | 0.0000 | |
| 343 | A | C | -0.7241 | |
| 344 | K | C | -2.4154 | |
| 345 | G | C | -1.5967 | |
| 346 | Q | C | -1.8640 | |
| 347 | P | C | -1.4536 | |
| 348 | R | C | -1.5528 | |
| 349 | E | C | -2.3720 | |
| 350 | P | C | 0.0000 | |
| 351 | Q | C | -1.1268 | |
| 352 | V | C | 0.0000 | |
| 353 | Y | C | 0.0000 | |
| 354 | T | C | -0.7439 | |
| 355 | L | C | 0.0000 | |
| 356 | P | C | -0.3464 | |
| 357 | P | C | 0.0000 | |
| 358 | S | C | -1.5318 | |
| 359 | R | C | -2.7145 | |
| 360 | E | C | -2.8774 | |
| 361 | E | C | 0.0000 | |
| 362 | M | C | -1.9490 | |
| 363 | T | C | -1.6878 | |
| 364 | K | C | -2.1963 | |
| 365 | N | C | -2.4682 | |
| 366 | Q | C | -2.2336 | |
| 367 | V | C | 0.0000 | |
| 368 | S | C | 0.0000 | |
| 369 | L | C | 0.0000 | |
| 370 | T | C | 0.0000 | |
| 371 | C | C | 0.0000 | |
| 372 | L | C | 0.0000 | |
| 373 | V | C | 0.0000 | |
| 374 | K | C | -0.6162 | |
| 375 | G | C | 0.0000 | |
| 376 | F | C | 0.0000 | |
| 377 | Y | C | 0.0000 | |
| 378 | P | C | 0.0000 | |
| 379 | S | C | 0.0000 | |
| 380 | D | C | -0.4216 | |
| 381 | I | C | -0.1806 | |
| 382 | A | C | 0.0000 | |
| 383 | V | C | 0.0000 | |
| 384 | E | C | -1.4015 | |
| 385 | W | C | 0.0000 | |
| 386 | E | C | -1.7861 | |
| 387 | S | C | 0.0000 | |
| 388 | N | C | -1.8104 | |
| 389 | G | C | -1.7174 | |
| 390 | Q | C | -2.2875 | |
| 391 | P | C | -1.9545 | |
| 392 | E | C | -1.8262 | |
| 393 | N | C | -1.9944 | |
| 394 | N | C | -1.2035 | |
| 395 | Y | C | -0.9036 | |
| 396 | K | C | -0.8720 | |
| 397 | T | C | -0.3587 | |
| 398 | T | C | 0.0000 | |
| 399 | P | C | 0.2782 | |
| 400 | P | C | 0.2633 | |
| 401 | V | C | 0.2090 | |
| 402 | L | C | 0.0000 | |
| 403 | D | C | -0.5250 | |
| 404 | S | C | -0.6022 | |
| 405 | D | C | -0.6114 | |
| 406 | G | C | 0.0000 | |
| 407 | S | C | 0.0000 | |
| 408 | F | C | 0.0000 | |
| 409 | F | C | 0.0000 | |
| 410 | L | C | 0.0000 | |
| 411 | Y | C | 0.0000 | |
| 412 | S | C | 0.0000 | |
| 413 | K | C | 0.0000 | |
| 414 | L | C | 0.0000 | |
| 415 | T | C | -0.8255 | |
| 416 | V | C | 0.0000 | |
| 417 | D | C | -2.4582 | |
| 418 | K | C | -2.6048 | |
| 419 | S | C | -2.2532 | |
| 420 | R | C | -2.0399 | |
| 421 | W | C | 0.0000 | |
| 422 | Q | C | -2.3436 | |
| 423 | Q | C | -2.1297 | |
| 424 | G | C | -1.2278 | |
| 425 | N | C | -0.9375 | |
| 426 | V | C | 0.4705 | |
| 427 | F | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | C | C | 0.0000 | |
| 430 | S | C | 0.0000 | |
| 431 | V | C | 0.0000 | |
| 432 | M | C | 0.0000 | |
| 433 | H | C | 0.0000 | |
| 434 | E | C | -1.2567 | |
| 435 | A | C | -1.3685 | |
| 436 | L | C | -1.3236 | |
| 437 | H | C | -1.7419 | |
| 438 | N | C | -1.4032 | |
| 439 | H | C | -0.8863 | |
| 440 | Y | C | -0.4363 | |
| 441 | T | C | -0.8104 | |
| 442 | Q | C | -1.3594 | |
| 443 | K | C | -1.2562 | |
| 444 | S | C | -0.4915 | |
| 445 | L | C | 0.0000 | |
| 446 | S | C | -0.0690 | |
| 447 | L | C | -0.3660 | |
| 448 | S | C | -0.7135 | |
| 449 | P | C | -0.9863 | |
| 450 | G | C | -1.4273 | |
| 451 | K | C | -2.0259 | |
| 1 | E | D | -2.1842 | |
| 2 | V | D | -1.3358 | |
| 3 | Q | D | -1.3761 | |
| 4 | L | D | 0.0000 | |
| 5 | L | D | 0.5513 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.4686 | |
| 8 | G | D | -0.8434 | |
| 9 | G | D | -0.3669 | |
| 10 | G | D | 0.0847 | |
| 11 | L | D | 0.3006 | |
| 12 | V | D | -0.4569 | |
| 13 | Q | D | -1.4896 | |
| 14 | P | D | -1.7325 | |
| 15 | G | D | -1.5242 | |
| 16 | G | D | -1.2528 | |
| 17 | S | D | -1.4894 | |
| 18 | L | D | -1.1934 | |
| 19 | R | D | -2.0743 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.5385 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.2326 | |
| 24 | A | D | -0.3838 | |
| 25 | S | D | -0.8828 | |
| 26 | G | D | -1.3205 | |
| 27 | F | D | -0.5679 | |
| 28 | S | D | -0.3254 | |
| 29 | L | D | 0.0000 | |
| 30 | S | D | -0.3422 | |
| 31 | S | D | -0.2489 | |
| 32 | S | D | -0.4251 | |
| 33 | Y | D | -0.0750 | |
| 34 | W | D | 0.0000 | |
| 35 | I | D | 0.0000 | |
| 36 | C | D | 0.0000 | |
| 37 | W | D | 0.0000 | |
| 38 | V | D | 0.0000 | |
| 39 | R | D | 0.0000 | |
| 40 | Q | D | -0.7765 | |
| 41 | A | D | -1.1556 | |
| 42 | P | D | -0.9365 | |
| 43 | G | D | -1.4918 | |
| 44 | K | D | -2.3905 | |
| 45 | G | D | -1.6566 | |
| 46 | L | D | 0.0000 | |
| 47 | E | D | -1.1837 | |
| 48 | W | D | 0.0000 | |
| 49 | I | D | 0.0000 | |
| 50 | G | D | 0.0000 | |
| 51 | C | D | 0.0000 | |
| 52 | I | D | 0.0000 | |
| 53 | Y | D | 0.0000 | |
| 54 | A | D | 0.0000 | |
| 55 | G | D | 0.0000 | |
| 56 | G | D | -0.5163 | |
| 57 | S | D | -0.1983 | |
| 58 | V | D | -0.1399 | |
| 59 | G | D | -0.3799 | |
| 60 | I | D | 0.0000 | |
| 61 | S | D | 0.0000 | |
| 62 | Y | D | 0.0000 | |
| 63 | Y | D | -0.2700 | |
| 64 | A | D | -0.5410 | |
| 65 | S | D | -0.7798 | |
| 66 | W | D | -0.4245 | |
| 67 | V | D | 0.0000 | |
| 68 | N | D | -1.5536 | |
| 69 | G | D | -1.5443 | |
| 70 | R | D | -1.4210 | |
| 71 | F | D | 0.0000 | |
| 72 | T | D | -0.8965 | |
| 73 | L | D | 0.0000 | |
| 74 | S | D | -0.4276 | |
| 75 | R | D | -0.7603 | |
| 76 | D | D | -1.0292 | |
| 77 | I | D | -0.4977 | |
| 78 | S | D | -0.9889 | |
| 79 | K | D | -1.8952 | |
| 80 | N | D | -1.0771 | |
| 81 | T | D | 0.0000 | |
| 82 | G | D | 0.0000 | |
| 83 | Y | D | 0.0000 | |
| 84 | L | D | 0.0000 | |
| 85 | Q | D | -1.6122 | |
| 86 | M | D | 0.0000 | |
| 87 | N | D | -2.0894 | |
| 88 | S | D | -1.4988 | |
| 89 | L | D | 0.0000 | |
| 90 | R | D | -2.5084 | |
| 91 | A | D | -1.7685 | |
| 92 | E | D | -2.2726 | |
| 93 | D | D | 0.0000 | |
| 94 | T | D | -0.6490 | |
| 95 | A | D | 0.0000 | |
| 96 | V | D | 0.3268 | |
| 97 | Y | D | 0.0000 | |
| 98 | Y | D | 0.0000 | |
| 99 | C | D | 0.0000 | |
| 100 | A | D | 0.0000 | |
| 101 | R | D | 0.0000 | |
| 102 | G | D | 0.0000 | |
| 103 | G | D | -0.2623 | |
| 104 | S | D | -0.2521 | |
| 105 | I | D | 0.0000 | |
| 106 | N | D | -0.3428 | |
| 107 | Y | D | -0.1612 | |
| 108 | Y | D | 0.0000 | |
| 109 | Q | D | -0.5140 | |
| 110 | F | D | -0.0072 | |
| 111 | W | D | -0.4331 | |
| 112 | G | D | 0.0000 | |
| 113 | Q | D | -1.4834 | |
| 114 | G | D | -0.5313 | |
| 115 | T | D | 0.0358 | |
| 116 | L | D | 0.4708 | |
| 117 | V | D | 0.0000 | |
| 118 | T | D | 0.0000 | |
| 119 | V | D | 0.0000 | |
| 120 | S | D | -0.9396 | |
| 121 | S | D | -0.6601 | |
| 122 | A | D | -0.4548 | |
| 123 | S | D | -0.5241 | |
| 124 | T | D | -0.5510 | |
| 125 | K | D | -1.1358 | |
| 126 | G | D | -1.3260 | |
| 127 | P | D | 0.0000 | |
| 128 | S | D | -0.4071 | |
| 129 | V | D | 0.0000 | |
| 130 | F | D | 0.0000 | |
| 131 | P | D | -1.0770 | |
| 132 | L | D | 0.0000 | |
| 133 | A | D | -1.2739 | |
| 134 | P | D | 0.0000 | |
| 135 | S | D | 0.0000 | |
| 136 | S | D | -1.1541 | |
| 137 | K | D | -1.3735 | |
| 138 | S | D | 0.0000 | |
| 139 | T | D | -0.5021 | |
| 140 | S | D | -0.6005 | |
| 141 | G | D | -0.7951 | |
| 142 | G | D | -0.8654 | |
| 143 | T | D | -0.6240 | |
| 144 | A | D | 0.0000 | |
| 145 | A | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | G | D | 0.0000 | |
| 148 | C | D | 0.0000 | |
| 149 | L | D | 0.0000 | |
| 150 | V | D | 0.0000 | |
| 151 | K | D | 0.0000 | |
| 152 | D | D | -0.3560 | |
| 153 | Y | D | 0.0000 | |
| 154 | F | D | 0.0000 | |
| 155 | P | D | -0.4746 | |
| 156 | E | D | -0.4818 | |
| 157 | P | D | -0.8063 | |
| 158 | V | D | -0.8210 | |
| 159 | T | D | -0.7027 | |
| 160 | V | D | -0.3877 | |
| 161 | S | D | -0.3983 | |
| 162 | W | D | 0.0000 | |
| 163 | N | D | -0.6425 | |
| 164 | S | D | -0.6172 | |
| 165 | G | D | -0.4959 | |
| 166 | A | D | -0.2358 | |
| 167 | L | D | 0.0176 | |
| 168 | T | D | -0.1772 | |
| 169 | S | D | -0.1913 | |
| 170 | G | D | -0.2932 | |
| 171 | V | D | 0.1472 | |
| 172 | H | D | -0.3248 | |
| 173 | T | D | -0.1748 | |
| 174 | F | D | 0.0000 | |
| 175 | P | D | -0.3566 | |
| 176 | A | D | 0.1920 | |
| 177 | V | D | 0.5139 | |
| 178 | L | D | 1.1118 | |
| 179 | Q | D | 0.2748 | |
| 180 | S | D | -0.0578 | |
| 181 | S | D | -0.1883 | |
| 182 | G | D | 0.0171 | |
| 183 | L | D | 0.1006 | |
| 184 | Y | D | 0.3729 | |
| 185 | S | D | 0.0000 | |
| 186 | L | D | 0.0000 | |
| 187 | S | D | 0.0000 | |
| 188 | S | D | 0.0000 | |
| 189 | V | D | 0.0000 | |
| 190 | V | D | 0.0000 | |
| 191 | T | D | -0.1435 | |
| 192 | V | D | 0.0000 | |
| 193 | P | D | -0.6167 | |
| 194 | S | D | -0.5703 | |
| 195 | S | D | -0.5894 | |
| 196 | S | D | -0.5808 | |
| 197 | L | D | -0.7691 | |
| 198 | G | D | -0.9456 | |
| 199 | T | D | -0.6960 | |
| 200 | Q | D | -1.1526 | |
| 201 | T | D | -0.9590 | |
| 202 | Y | D | 0.0000 | |
| 203 | I | D | -0.9125 | |
| 204 | C | D | 0.0000 | |
| 205 | N | D | -1.3837 | |
| 206 | V | D | 0.0000 | |
| 207 | N | D | -2.2445 | |
| 208 | H | D | 0.0000 | |
| 209 | K | D | -2.8212 | |
| 210 | P | D | -1.5944 | |
| 211 | S | D | -1.8305 | |
| 212 | N | D | -2.6237 | |
| 213 | T | D | -2.1372 | |
| 214 | K | D | -2.7489 | |
| 215 | V | D | -1.5001 | |
| 216 | D | D | -2.1863 | |
| 217 | K | D | -1.8020 | |
| 218 | K | D | -1.9630 | |
| 219 | V | D | 0.0000 | |
| 220 | E | D | -2.6320 | |
| 221 | P | D | -1.9026 | |
| 222 | K | D | -2.2980 | |
| 223 | S | D | -1.4233 | |
| 224 | C | D | -1.9656 | |
| 225 | D | D | -2.8788 | |
| 226 | K | D | -2.7666 | |
| 227 | T | D | -1.5985 | |
| 228 | H | D | -1.4596 | |
| 229 | T | D | -0.4736 | |
| 230 | C | D | -0.0937 | |
| 231 | P | D | -0.1642 | |
| 232 | P | D | -0.0405 | |
| 233 | C | D | 0.4605 | |
| 234 | P | D | 0.0171 | |
| 235 | A | D | -0.2863 | |
| 236 | P | D | -0.7295 | |
| 237 | E | D | -1.1943 | |
| 238 | L | D | 1.0298 | |
| 239 | L | D | 1.2924 | |
| 240 | G | D | 0.2554 | |
| 241 | G | D | -0.3817 | |
| 242 | P | D | 0.0000 | |
| 243 | S | D | -0.2932 | |
| 244 | V | D | 0.0000 | |
| 245 | F | D | 0.0078 | |
| 246 | L | D | -0.0812 | |
| 247 | F | D | 0.0000 | |
| 248 | P | D | -0.4218 | |
| 249 | P | D | 0.0000 | |
| 250 | K | D | -1.1503 | |
| 251 | P | D | -0.7967 | |
| 252 | K | D | -1.1105 | |
| 253 | D | D | 0.0000 | |
| 254 | T | D | 0.0000 | |
| 255 | L | D | 0.0000 | |
| 256 | M | D | 0.1896 | |
| 257 | I | D | 1.2255 | |
| 258 | S | D | -0.0253 | |
| 259 | R | D | -1.2788 | |
| 260 | T | D | -0.7152 | |
| 261 | P | D | 0.0000 | |
| 262 | E | D | -1.2650 | |
| 263 | V | D | 0.0000 | |
| 264 | T | D | 0.0000 | |
| 265 | C | D | 0.0000 | |
| 266 | V | D | 0.0000 | |
| 267 | V | D | 0.0000 | |
| 268 | V | D | 0.0000 | |
| 269 | D | D | -1.2092 | |
| 270 | V | D | 0.0000 | |
| 271 | S | D | -1.9064 | |
| 272 | H | D | -1.9665 | |
| 273 | E | D | -2.7204 | |
| 274 | D | D | -2.4516 | |
| 275 | P | D | -2.6164 | |
| 276 | E | D | -3.2273 | |
| 277 | V | D | 0.0000 | |
| 278 | K | D | -2.3638 | |
| 279 | F | D | -1.3546 | |
| 280 | N | D | -1.0751 | |
| 281 | W | D | 0.0000 | |
| 282 | Y | D | -0.5305 | |
| 283 | V | D | -0.6603 | |
| 284 | D | D | -1.7939 | |
| 285 | G | D | -0.7251 | |
| 286 | V | D | 0.6813 | |
| 287 | E | D | -0.6414 | |
| 288 | V | D | -0.5389 | |
| 289 | H | D | -1.8857 | |
| 290 | N | D | -2.1672 | |
| 291 | A | D | -1.7581 | |
| 292 | K | D | -2.1562 | |
| 293 | T | D | -1.5384 | |
| 294 | K | D | -1.4318 | |
| 295 | P | D | -1.6452 | |
| 296 | R | D | -2.4260 | |
| 297 | E | D | 0.0000 | |
| 298 | E | D | -0.9878 | |
| 299 | Q | D | 0.0000 | |
| 300 | Y | D | -0.5858 | |
| 301 | N | D | -1.1926 | |
| 302 | S | D | -1.0907 | |
| 303 | T | D | -1.1795 | |
| 304 | Y | D | -1.1451 | |
| 305 | R | D | 0.0000 | |
| 306 | V | D | 0.0000 | |
| 307 | V | D | 0.0000 | |
| 308 | S | D | 0.0000 | |
| 309 | V | D | -0.8737 | |
| 310 | L | D | 0.0000 | |
| 311 | T | D | -0.7717 | |
| 312 | V | D | 0.0000 | |
| 313 | L | D | 0.4773 | |
| 314 | H | D | -0.2025 | |
| 315 | Q | D | -1.0783 | |
| 316 | D | D | -1.3714 | |
| 317 | W | D | 0.0000 | |
| 318 | L | D | -1.1509 | |
| 319 | N | D | -2.0147 | |
| 320 | G | D | 0.0000 | |
| 321 | K | D | -2.0336 | |
| 322 | E | D | -1.6669 | |
| 323 | Y | D | 0.0000 | |
| 324 | K | D | -1.3666 | |
| 325 | C | D | 0.0000 | |
| 326 | K | D | -1.3915 | |
| 327 | V | D | 0.0000 | |
| 328 | S | D | -1.5245 | |
| 329 | N | D | 0.0000 | |
| 330 | K | D | -2.5771 | |
| 331 | A | D | -1.5461 | |
| 332 | L | D | -0.6373 | |
| 333 | P | D | -0.5361 | |
| 334 | A | D | -0.4256 | |
| 335 | P | D | -0.9146 | |
| 336 | I | D | -0.5682 | |
| 337 | E | D | -1.7302 | |
| 338 | K | D | -1.3729 | |
| 339 | T | D | -1.2486 | |
| 340 | I | D | -0.2513 | |
| 341 | S | D | -1.0038 | |
| 342 | K | D | 0.0000 | |
| 343 | A | D | -0.6673 | |
| 344 | K | D | -2.2645 | |
| 345 | G | D | -1.5791 | |
| 346 | Q | D | -1.8543 | |
| 347 | P | D | -1.4548 | |
| 348 | R | D | -1.5666 | |
| 349 | E | D | -2.3760 | |
| 350 | P | D | 0.0000 | |
| 351 | Q | D | -1.1601 | |
| 352 | V | D | 0.0000 | |
| 353 | Y | D | 0.0000 | |
| 354 | T | D | -0.7340 | |
| 355 | L | D | 0.0000 | |
| 356 | P | D | -0.3724 | |
| 357 | P | D | -0.8152 | |
| 358 | S | D | -1.4381 | |
| 359 | R | D | -2.5612 | |
| 360 | E | D | -2.5575 | |
| 361 | E | D | 0.0000 | |
| 362 | M | D | -1.8218 | |
| 363 | T | D | -1.5827 | |
| 364 | K | D | -2.1381 | |
| 365 | N | D | -2.4551 | |
| 366 | Q | D | -2.2096 | |
| 367 | V | D | 0.0000 | |
| 368 | S | D | 0.0000 | |
| 369 | L | D | 0.0000 | |
| 370 | T | D | 0.0000 | |
| 371 | C | D | 0.0000 | |
| 372 | L | D | 0.0000 | |
| 373 | V | D | 0.0000 | |
| 374 | K | D | -0.6052 | |
| 375 | G | D | 0.0000 | |
| 376 | F | D | 0.0000 | |
| 377 | Y | D | 0.0000 | |
| 378 | P | D | 0.0000 | |
| 379 | S | D | 0.0000 | |
| 380 | D | D | -0.3419 | |
| 381 | I | D | -0.1442 | |
| 382 | A | D | 0.0000 | |
| 383 | V | D | 0.0000 | |
| 384 | E | D | -1.4201 | |
| 385 | W | D | 0.0000 | |
| 386 | E | D | -1.7030 | |
| 387 | S | D | 0.0000 | |
| 388 | N | D | -1.8718 | |
| 389 | G | D | -1.7201 | |
| 390 | Q | D | -2.2173 | |
| 391 | P | D | -1.8484 | |
| 392 | E | D | 0.0000 | |
| 393 | N | D | -1.9020 | |
| 394 | N | D | -1.1389 | |
| 395 | Y | D | -0.8935 | |
| 396 | K | D | -0.9404 | |
| 397 | T | D | -0.4076 | |
| 398 | T | D | 0.0000 | |
| 399 | P | D | 0.2412 | |
| 400 | P | D | 0.2460 | |
| 401 | V | D | 0.2621 | |
| 402 | L | D | 0.1479 | |
| 403 | D | D | -0.4128 | |
| 404 | S | D | -0.5011 | |
| 405 | D | D | -0.5535 | |
| 406 | G | D | 0.0000 | |
| 407 | S | D | 0.0000 | |
| 408 | F | D | 0.0000 | |
| 409 | F | D | 0.0000 | |
| 410 | L | D | 0.0000 | |
| 411 | Y | D | 0.0000 | |
| 412 | S | D | 0.0000 | |
| 413 | K | D | 0.0000 | |
| 414 | L | D | 0.0000 | |
| 415 | T | D | -0.7977 | |
| 416 | V | D | 0.0000 | |
| 417 | D | D | -2.4531 | |
| 418 | K | D | -2.6188 | |
| 419 | S | D | -2.2911 | |
| 420 | R | D | -2.1072 | |
| 421 | W | D | 0.0000 | |
| 422 | Q | D | -2.4193 | |
| 423 | Q | D | -2.2327 | |
| 424 | G | D | -1.3788 | |
| 425 | N | D | -1.1674 | |
| 426 | V | D | 0.0646 | |
| 427 | F | D | 0.0000 | |
| 428 | S | D | 0.0000 | |
| 429 | C | D | 0.0000 | |
| 430 | S | D | 0.0000 | |
| 431 | V | D | 0.0000 | |
| 432 | M | D | -0.4669 | |
| 433 | H | D | 0.0000 | |
| 434 | E | D | -1.2053 | |
| 435 | A | D | -1.3517 | |
| 436 | L | D | -1.2910 | |
| 437 | H | D | -1.7192 | |
| 438 | N | D | -1.3782 | |
| 439 | H | D | -0.8523 | |
| 440 | Y | D | -0.3276 | |
| 441 | T | D | -0.6330 | |
| 442 | Q | D | -1.0532 | |
| 443 | K | D | -0.9827 | |
| 444 | S | D | -0.4588 | |
| 445 | L | D | 0.0000 | |
| 446 | S | D | -0.1930 | |
| 447 | L | D | -0.2984 | |
| 448 | S | D | -0.6492 | |
| 449 | P | D | -0.9526 | |
| 450 | G | D | -1.3994 | |
| 451 | K | D | -2.0275 |
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 | -0.5725 | 3.9788 | View | CSV | PDB |
| 4.5 | -0.6135 | 3.9788 | View | CSV | PDB |
| 5.0 | -0.6621 | 3.9788 | View | CSV | PDB |
| 5.5 | -0.7081 | 3.9788 | View | CSV | PDB |
| 6.0 | -0.7397 | 3.9788 | View | CSV | PDB |
| 6.5 | -0.7483 | 3.9788 | View | CSV | PDB |
| 7.0 | -0.7346 | 3.9788 | View | CSV | PDB |
| 7.5 | -0.7065 | 3.9788 | View | CSV | PDB |
| 8.0 | -0.6707 | 3.9788 | View | CSV | PDB |
| 8.5 | -0.6294 | 3.9788 | View | CSV | PDB |
| 9.0 | -0.5827 | 3.9788 | 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