| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: EVQLVESGGGLVQPGGSLRLSCAASGYTFTNYGMNWVRQAPGKGLEWVGWINTYTGEPTYAADFKRRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCAKYPHYYGSSHWYFDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK B: DIQMTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: EVQLVESGGGLVQPGGSLRLSCAASGYTFTNYGMNWVRQAPGKGLEWVGWINTYTGEPTYAADFKRRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCAKYPHYYGSSHWYFDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK input PDB |
| Selected Chain(s) | A,B,C,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] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7c91c30cfd5736f/tmp/folded.pdb (00:16:08)
[INFO] Main: Simulation completed successfully. (00:24:12)
|
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 | -2.0688 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -2.0348 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.9294 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.6997 | |
| 8 | P | A | -0.6498 | |
| 9 | S | A | -1.0199 | |
| 10 | S | A | -1.0585 | |
| 11 | L | A | -0.7549 | |
| 12 | S | A | -1.0209 | |
| 13 | A | A | -1.2262 | |
| 14 | S | A | -1.2172 | |
| 15 | V | A | -0.4147 | |
| 16 | G | A | -1.0214 | |
| 17 | D | A | -2.1631 | |
| 18 | R | A | -2.4236 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6603 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.6049 | |
| 23 | C | A | 0.0000 | |
| 24 | S | A | -1.4637 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.9335 | |
| 27 | Q | A | -2.5824 | |
| 28 | D | A | -2.6600 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -1.0552 | |
| 31 | N | A | -0.5179 | |
| 32 | Y | A | 0.2360 | |
| 33 | L | A | 0.0000 | |
| 34 | N | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | -0.9259 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.8738 | |
| 40 | P | A | -1.4253 | |
| 41 | G | A | -1.7691 | |
| 42 | K | A | -2.5667 | |
| 43 | A | A | -1.6283 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.3388 | |
| 46 | V | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.5834 | |
| 50 | F | A | 0.6977 | |
| 51 | T | A | 0.0000 | |
| 52 | S | A | -0.0477 | |
| 53 | S | A | 0.2627 | |
| 54 | L | A | 0.3991 | |
| 55 | H | A | -0.1210 | |
| 56 | S | A | -0.3516 | |
| 57 | G | A | -0.4823 | |
| 58 | V | A | -0.2833 | |
| 59 | P | A | -0.3225 | |
| 60 | S | A | -0.3868 | |
| 61 | R | A | -0.7869 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.3356 | |
| 64 | G | A | -0.1994 | |
| 65 | S | A | -0.7256 | |
| 66 | G | A | -1.1212 | |
| 67 | S | A | -1.2251 | |
| 68 | G | A | -1.7096 | |
| 69 | T | A | -2.0477 | |
| 70 | D | A | -2.4305 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.6851 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.6196 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.3966 | |
| 77 | S | A | -1.3077 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -1.0446 | |
| 80 | P | A | -1.4231 | |
| 81 | E | A | -1.6006 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | -1.2402 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | S | A | -0.1743 | |
| 93 | T | A | 0.1251 | |
| 94 | V | A | 0.5881 | |
| 95 | P | A | 0.0360 | |
| 96 | W | A | 0.0000 | |
| 97 | T | A | -0.7870 | |
| 98 | F | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | Q | A | -1.8477 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -2.0368 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.2205 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | -1.8238 | |
| 108 | R | A | -1.0413 | |
| 109 | T | A | -0.1383 | |
| 110 | V | A | 0.3996 | |
| 111 | A | A | 0.0324 | |
| 112 | A | A | -0.0843 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.2387 | |
| 115 | V | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.3884 | |
| 120 | P | A | 0.0000 | |
| 121 | S | A | -1.4652 | |
| 122 | D | A | -2.7012 | |
| 123 | E | A | -2.3977 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.0322 | |
| 126 | K | A | -2.6377 | |
| 127 | S | A | -1.6341 | |
| 128 | G | A | -1.1798 | |
| 129 | T | A | -0.8998 | |
| 130 | A | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | N | A | -0.8421 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | -1.6854 | |
| 142 | R | A | -2.7467 | |
| 143 | E | A | -3.1146 | |
| 144 | A | A | -2.2500 | |
| 145 | K | A | -2.3425 | |
| 146 | V | A | -1.0276 | |
| 147 | Q | A | -0.6869 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.6717 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -1.1295 | |
| 152 | N | A | -1.3404 | |
| 153 | A | A | -0.3596 | |
| 154 | L | A | 0.2509 | |
| 155 | Q | A | -0.5552 | |
| 156 | S | A | -0.7722 | |
| 157 | G | A | -1.2605 | |
| 158 | N | A | -1.5668 | |
| 159 | S | A | -1.3801 | |
| 160 | Q | A | -1.3323 | |
| 161 | E | A | -1.4728 | |
| 162 | S | A | -0.7371 | |
| 163 | V | A | -0.5339 | |
| 164 | T | A | -1.0283 | |
| 165 | E | A | -2.1243 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -1.9807 | |
| 168 | S | A | -2.0697 | |
| 169 | K | A | -2.4332 | |
| 170 | D | A | -1.6282 | |
| 171 | S | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -0.6659 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | -0.6059 | |
| 181 | L | A | -0.6907 | |
| 182 | S | A | -0.8849 | |
| 183 | K | A | -1.9080 | |
| 184 | A | A | -1.6481 | |
| 185 | D | A | -2.1008 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -2.9010 | |
| 188 | K | A | -3.0443 | |
| 189 | H | A | -2.0816 | |
| 190 | K | A | -1.5318 | |
| 191 | V | A | 0.0000 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.7056 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -1.1766 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -1.6931 | |
| 200 | G | A | -0.3665 | |
| 201 | L | A | -0.2046 | |
| 202 | S | A | -0.2413 | |
| 203 | S | A | -0.1846 | |
| 204 | P | A | -0.5353 | |
| 205 | V | A | -0.1131 | |
| 206 | T | A | -0.6870 | |
| 207 | K | A | -0.6955 | |
| 208 | S | A | -0.7136 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | 0.0000 | |
| 211 | R | A | -1.1063 | |
| 212 | G | A | -0.9058 | |
| 213 | E | A | -0.4232 | |
| 214 | C | A | -0.3021 | |
| 1 | D | B | -2.0532 | |
| 2 | I | B | 0.0000 | |
| 3 | Q | B | -2.0166 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.9238 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.5090 | |
| 8 | P | B | -0.5088 | |
| 9 | S | B | -0.7892 | |
| 10 | S | B | -0.6733 | |
| 11 | L | B | -0.5407 | |
| 12 | S | B | -0.9676 | |
| 13 | A | B | -1.2999 | |
| 14 | S | B | -1.3039 | |
| 15 | V | B | -0.5646 | |
| 16 | G | B | -1.0962 | |
| 17 | D | B | -2.2245 | |
| 18 | R | B | -2.4504 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.6662 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.6071 | |
| 23 | C | B | 0.0000 | |
| 24 | S | B | -1.4489 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.8862 | |
| 27 | Q | B | -2.4865 | |
| 28 | D | B | -2.6086 | |
| 29 | I | B | 0.0000 | |
| 30 | S | B | -1.0162 | |
| 31 | N | B | -0.4909 | |
| 32 | Y | B | 0.2726 | |
| 33 | L | B | 0.0000 | |
| 34 | N | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | -0.8906 | |
| 38 | Q | B | 0.0000 | |
| 39 | K | B | -1.8563 | |
| 40 | P | B | -1.4790 | |
| 41 | G | B | -1.7783 | |
| 42 | K | B | -2.5685 | |
| 43 | A | B | -1.6326 | |
| 44 | P | B | 0.0000 | |
| 45 | K | B | -1.3605 | |
| 46 | V | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | 0.5887 | |
| 50 | F | B | 0.7522 | |
| 51 | T | B | 0.0000 | |
| 52 | S | B | -0.0453 | |
| 53 | S | B | 0.2527 | |
| 54 | L | B | 0.3787 | |
| 55 | H | B | -0.1334 | |
| 56 | S | B | -0.3562 | |
| 57 | G | B | -0.4845 | |
| 58 | V | B | -0.2919 | |
| 59 | P | B | -0.3297 | |
| 60 | S | B | -0.3937 | |
| 61 | R | B | -0.7997 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | -0.3455 | |
| 64 | G | B | -0.2020 | |
| 65 | S | B | -0.7223 | |
| 66 | G | B | -1.1206 | |
| 67 | S | B | -1.2124 | |
| 68 | G | B | -1.6825 | |
| 69 | T | B | -2.0178 | |
| 70 | D | B | -2.4188 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -0.6881 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.6267 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -1.4026 | |
| 77 | S | B | -1.3529 | |
| 78 | L | B | 0.0000 | |
| 79 | Q | B | -1.1343 | |
| 80 | P | B | -1.5236 | |
| 81 | E | B | -1.6674 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | T | B | -0.8205 | |
| 86 | Y | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | Q | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | Y | B | 0.0000 | |
| 92 | S | B | -0.1501 | |
| 93 | T | B | 0.1425 | |
| 94 | V | B | 0.6222 | |
| 95 | P | B | 0.0581 | |
| 96 | W | B | 0.0000 | |
| 97 | T | B | -0.7757 | |
| 98 | F | B | 0.0000 | |
| 99 | G | B | 0.0000 | |
| 100 | Q | B | -1.7502 | |
| 101 | G | B | 0.0000 | |
| 102 | T | B | 0.0000 | |
| 103 | K | B | -1.3175 | |
| 104 | V | B | 0.0000 | |
| 105 | E | B | -1.1115 | |
| 106 | I | B | 0.0000 | |
| 107 | K | B | -1.8740 | |
| 108 | R | B | -1.0949 | |
| 109 | T | B | -0.1921 | |
| 110 | V | B | 0.3508 | |
| 111 | A | B | 0.0571 | |
| 112 | A | B | -0.0883 | |
| 113 | P | B | 0.0000 | |
| 114 | S | B | -0.2160 | |
| 115 | V | B | 0.0000 | |
| 116 | F | B | 0.0000 | |
| 117 | I | B | 0.0000 | |
| 118 | F | B | 0.0000 | |
| 119 | P | B | -0.4316 | |
| 120 | P | B | 0.0000 | |
| 121 | S | B | -1.7034 | |
| 122 | D | B | -2.9677 | |
| 123 | E | B | -2.7050 | |
| 124 | Q | B | 0.0000 | |
| 125 | L | B | -2.2088 | |
| 126 | K | B | -2.7787 | |
| 127 | S | B | -1.7378 | |
| 128 | G | B | -1.2664 | |
| 129 | T | B | -0.9506 | |
| 130 | A | B | 0.0000 | |
| 131 | S | B | 0.0000 | |
| 132 | V | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | C | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | N | B | 0.0000 | |
| 138 | N | B | -0.6842 | |
| 139 | F | B | 0.0000 | |
| 140 | Y | B | 0.0000 | |
| 141 | P | B | -1.4479 | |
| 142 | R | B | -2.2442 | |
| 143 | E | B | -2.8551 | |
| 144 | A | B | -2.1143 | |
| 145 | K | B | -2.2933 | |
| 146 | V | B | -1.0053 | |
| 147 | Q | B | -0.5347 | |
| 148 | W | B | 0.0000 | |
| 149 | K | B | -0.4431 | |
| 150 | V | B | 0.0000 | |
| 151 | D | B | -1.1443 | |
| 152 | N | B | -1.5188 | |
| 153 | A | B | -0.1509 | |
| 154 | L | B | 0.7373 | |
| 155 | Q | B | -0.2989 | |
| 156 | S | B | -0.6330 | |
| 157 | G | B | -1.2241 | |
| 158 | N | B | -1.4878 | |
| 159 | S | B | -1.3193 | |
| 160 | Q | B | -1.2728 | |
| 161 | E | B | -1.4388 | |
| 162 | S | B | -0.8090 | |
| 163 | V | B | -0.6622 | |
| 164 | T | B | 0.0000 | |
| 165 | E | B | -2.2365 | |
| 166 | Q | B | 0.0000 | |
| 167 | D | B | -2.0305 | |
| 168 | S | B | -2.1440 | |
| 169 | K | B | -2.4696 | |
| 170 | D | B | -1.6297 | |
| 171 | S | B | 0.0000 | |
| 172 | T | B | 0.0000 | |
| 173 | Y | B | 0.0000 | |
| 174 | S | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | T | B | -0.6345 | |
| 179 | L | B | 0.0000 | |
| 180 | T | B | -0.5743 | |
| 181 | L | B | -0.6663 | |
| 182 | S | B | -0.8739 | |
| 183 | K | B | -1.8677 | |
| 184 | A | B | -1.6345 | |
| 185 | D | B | -2.0864 | |
| 186 | Y | B | 0.0000 | |
| 187 | E | B | -2.9572 | |
| 188 | K | B | -3.0972 | |
| 189 | H | B | -2.1883 | |
| 190 | K | B | -1.6952 | |
| 191 | V | B | 0.0000 | |
| 192 | Y | B | 0.0000 | |
| 193 | A | B | 0.0000 | |
| 194 | C | B | 0.0000 | |
| 195 | E | B | -0.6039 | |
| 196 | V | B | 0.0000 | |
| 197 | T | B | -1.1976 | |
| 198 | H | B | 0.0000 | |
| 199 | Q | B | -1.6563 | |
| 200 | G | B | -0.3998 | |
| 201 | L | B | -0.0974 | |
| 202 | S | B | -0.2522 | |
| 203 | S | B | -0.2031 | |
| 204 | P | B | -0.5362 | |
| 205 | V | B | -0.1377 | |
| 206 | T | B | -0.6181 | |
| 207 | K | B | -0.5068 | |
| 208 | S | B | 0.0000 | |
| 209 | F | B | 0.0000 | |
| 210 | N | B | 0.0000 | |
| 211 | R | B | -1.2457 | |
| 212 | G | B | -1.0211 | |
| 213 | E | B | -0.3783 | |
| 214 | C | B | -0.5688 | |
| 1 | E | C | -2.1570 | |
| 2 | V | C | -1.3429 | |
| 3 | Q | C | -1.3566 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 1.0879 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.3164 | |
| 8 | G | C | -0.8958 | |
| 9 | G | C | -0.5274 | |
| 10 | G | C | -0.3782 | |
| 11 | L | C | -0.1756 | |
| 12 | V | C | 0.0000 | |
| 13 | Q | C | -1.7720 | |
| 14 | P | C | -1.9607 | |
| 15 | G | C | -1.6267 | |
| 16 | G | C | -1.2481 | |
| 17 | S | C | -1.3780 | |
| 18 | L | C | -1.1827 | |
| 19 | R | C | -2.0756 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.3305 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.0075 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -1.0017 | |
| 26 | G | C | -1.3050 | |
| 27 | Y | C | -0.5843 | |
| 28 | T | C | -0.0898 | |
| 29 | F | C | 0.0000 | |
| 30 | T | C | 0.3493 | |
| 31 | N | C | 0.2240 | |
| 32 | Y | C | 0.5522 | |
| 33 | G | C | 0.0000 | |
| 34 | M | C | 0.0000 | |
| 35 | N | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -0.8453 | |
| 40 | A | C | -1.2158 | |
| 41 | P | C | -0.9601 | |
| 42 | G | C | -1.4464 | |
| 43 | K | C | -2.3908 | |
| 44 | G | C | -1.6806 | |
| 45 | L | C | 0.0000 | |
| 46 | E | C | -1.2978 | |
| 47 | W | C | 0.0000 | |
| 48 | V | C | 0.0000 | |
| 49 | G | C | 0.0000 | |
| 50 | W | C | -0.1550 | |
| 51 | I | C | 0.0000 | |
| 52 | N | C | -0.4552 | |
| 53 | T | C | 0.0000 | |
| 54 | Y | C | 0.8161 | |
| 55 | T | C | -0.1956 | |
| 56 | G | C | -0.8542 | |
| 57 | E | C | -1.8679 | |
| 58 | P | C | -1.2801 | |
| 59 | T | C | -0.5586 | |
| 60 | Y | C | -0.7859 | |
| 61 | A | C | 0.0000 | |
| 62 | A | C | -1.6945 | |
| 63 | D | C | -2.6314 | |
| 64 | F | C | 0.0000 | |
| 65 | K | C | -3.1399 | |
| 66 | R | C | -3.2285 | |
| 67 | R | C | -2.2638 | |
| 68 | F | C | 0.0000 | |
| 69 | T | C | -1.1484 | |
| 70 | F | C | 0.0000 | |
| 71 | S | C | -0.3663 | |
| 72 | L | C | -0.0785 | |
| 73 | D | C | -0.8442 | |
| 74 | T | C | -0.6769 | |
| 75 | S | C | -1.1377 | |
| 76 | K | C | -1.9249 | |
| 77 | S | C | -1.0622 | |
| 78 | T | C | 0.0000 | |
| 79 | A | C | 0.0000 | |
| 80 | Y | C | -0.4224 | |
| 81 | L | C | 0.0000 | |
| 82 | Q | C | -1.2238 | |
| 83 | M | C | 0.0000 | |
| 84 | N | C | -1.7173 | |
| 85 | S | C | -1.6129 | |
| 86 | L | C | 0.0000 | |
| 87 | R | C | -2.9353 | |
| 88 | A | C | -2.0162 | |
| 89 | E | C | -2.4292 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.8568 | |
| 92 | A | C | 0.0000 | |
| 93 | V | C | 0.1639 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | C | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | K | C | 0.0000 | |
| 99 | Y | C | 0.0000 | |
| 100 | P | C | 0.0935 | |
| 101 | H | C | 0.1995 | |
| 102 | Y | C | 1.0021 | |
| 103 | Y | C | 0.6354 | |
| 104 | G | C | -0.1490 | |
| 105 | S | C | -0.0765 | |
| 106 | S | C | -0.1482 | |
| 107 | H | C | -0.1012 | |
| 108 | W | C | 0.1462 | |
| 109 | Y | C | 0.0000 | |
| 110 | F | C | 0.0000 | |
| 111 | D | C | -0.3066 | |
| 112 | V | C | -0.3411 | |
| 113 | W | C | 0.0000 | |
| 114 | G | C | 0.0000 | |
| 115 | Q | C | -1.3324 | |
| 116 | G | C | 0.0000 | |
| 117 | T | C | -0.0041 | |
| 118 | L | C | 0.0241 | |
| 119 | V | C | 0.0000 | |
| 120 | T | C | 0.0000 | |
| 121 | V | C | 0.0000 | |
| 122 | S | C | -1.1042 | |
| 123 | S | C | -0.7412 | |
| 124 | A | C | -0.4939 | |
| 125 | S | C | -0.5815 | |
| 126 | T | C | -0.7318 | |
| 127 | K | C | -1.1555 | |
| 128 | G | C | -1.2802 | |
| 129 | P | C | 0.0000 | |
| 130 | S | C | -0.3393 | |
| 131 | V | C | 0.0000 | |
| 132 | F | C | 0.0000 | |
| 133 | P | C | -1.0895 | |
| 134 | L | C | 0.0000 | |
| 135 | A | C | -0.9803 | |
| 136 | P | C | 0.0000 | |
| 137 | S | C | -0.5877 | |
| 138 | S | C | -0.6066 | |
| 139 | K | C | -0.5347 | |
| 140 | S | C | 0.0000 | |
| 141 | T | C | -0.7020 | |
| 142 | S | C | -0.9878 | |
| 143 | G | C | -1.2446 | |
| 144 | G | C | -1.0907 | |
| 145 | T | C | -0.6023 | |
| 146 | A | C | 0.0000 | |
| 147 | A | C | 0.0000 | |
| 148 | L | C | 0.0000 | |
| 149 | G | C | 0.0000 | |
| 150 | C | C | 0.0000 | |
| 151 | L | C | 0.0000 | |
| 152 | V | C | 0.0000 | |
| 153 | K | C | 0.0000 | |
| 154 | D | C | -0.2978 | |
| 155 | Y | C | 0.0000 | |
| 156 | F | C | 0.0000 | |
| 157 | P | C | 0.0000 | |
| 158 | E | C | -0.4023 | |
| 159 | P | C | -0.5998 | |
| 160 | V | C | -0.5783 | |
| 161 | T | C | -0.4748 | |
| 162 | V | C | -0.1169 | |
| 163 | S | C | -0.3422 | |
| 164 | W | C | 0.0000 | |
| 165 | N | C | -0.7094 | |
| 166 | S | C | -0.6408 | |
| 167 | G | C | -0.4708 | |
| 168 | A | C | -0.2219 | |
| 169 | L | C | 0.0334 | |
| 170 | T | C | -0.1527 | |
| 171 | S | C | -0.1611 | |
| 172 | G | C | -0.1795 | |
| 173 | V | C | 0.1881 | |
| 174 | H | C | -0.2910 | |
| 175 | T | C | -0.1415 | |
| 176 | F | C | 0.0000 | |
| 177 | P | C | -0.2558 | |
| 178 | A | C | 0.2499 | |
| 179 | V | C | 0.4842 | |
| 180 | L | C | 1.1368 | |
| 181 | Q | C | 0.2823 | |
| 182 | S | C | -0.0716 | |
| 183 | S | C | -0.1978 | |
| 184 | G | C | 0.0536 | |
| 185 | L | C | 0.1579 | |
| 186 | Y | C | 0.4841 | |
| 187 | S | C | 0.0000 | |
| 188 | L | C | 0.0000 | |
| 189 | S | C | 0.0000 | |
| 190 | S | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | V | C | 0.0000 | |
| 193 | T | C | -0.1199 | |
| 194 | V | C | 0.0000 | |
| 195 | P | C | -0.6048 | |
| 196 | S | C | -0.5693 | |
| 197 | S | C | -0.5795 | |
| 198 | S | C | -0.5546 | |
| 199 | L | C | -0.7589 | |
| 200 | G | C | -0.9309 | |
| 201 | T | C | -0.6647 | |
| 202 | Q | C | -1.1034 | |
| 203 | T | C | -1.0273 | |
| 204 | Y | C | 0.0000 | |
| 205 | I | C | -1.1735 | |
| 206 | C | C | 0.0000 | |
| 207 | N | C | -1.4086 | |
| 208 | V | C | 0.0000 | |
| 209 | N | C | -1.7616 | |
| 210 | H | C | 0.0000 | |
| 211 | K | C | -2.6705 | |
| 212 | P | C | -1.5337 | |
| 213 | S | C | -1.7643 | |
| 214 | N | C | -2.5553 | |
| 215 | T | C | -2.0103 | |
| 216 | K | C | -2.6522 | |
| 217 | V | C | -1.5557 | |
| 218 | D | C | -2.4667 | |
| 219 | K | C | -2.0912 | |
| 220 | K | C | -2.4053 | |
| 221 | V | C | 0.0000 | |
| 222 | E | C | -2.5509 | |
| 223 | P | C | -1.3509 | |
| 224 | K | C | -1.5306 | |
| 225 | S | C | -1.5272 | |
| 226 | C | C | -1.4202 | |
| 227 | D | C | -2.4302 | |
| 228 | K | C | -2.3379 | |
| 229 | T | C | -1.5702 | |
| 230 | H | C | -1.3376 | |
| 231 | T | C | -0.8845 | |
| 232 | C | C | -0.5341 | |
| 233 | P | C | -0.2601 | |
| 234 | P | C | -0.2472 | |
| 235 | C | C | -0.0154 | |
| 236 | P | C | -0.2282 | |
| 237 | A | C | -0.5315 | |
| 238 | P | C | -0.7201 | |
| 239 | E | C | -1.5842 | |
| 240 | L | C | -0.4922 | |
| 241 | L | C | -0.3776 | |
| 242 | G | C | -0.5734 | |
| 243 | G | C | -0.3564 | |
| 244 | P | C | 0.0000 | |
| 245 | S | C | 0.0153 | |
| 246 | V | C | 0.0000 | |
| 247 | F | C | 1.1554 | |
| 248 | L | C | 0.8603 | |
| 249 | F | C | 1.0826 | |
| 250 | P | C | -0.2138 | |
| 251 | P | C | 0.0000 | |
| 252 | K | C | -2.2731 | |
| 253 | P | C | -1.4413 | |
| 254 | K | C | -1.3436 | |
| 255 | D | C | -1.3522 | |
| 256 | T | C | 0.0000 | |
| 257 | L | C | 0.0000 | |
| 258 | M | C | 0.2385 | |
| 259 | I | C | 1.3956 | |
| 260 | S | C | 0.0521 | |
| 261 | R | C | -1.2614 | |
| 262 | T | C | -0.8183 | |
| 263 | P | C | 0.0000 | |
| 264 | E | C | -1.3072 | |
| 265 | V | C | 0.0000 | |
| 266 | T | C | 0.1290 | |
| 267 | C | C | 0.0000 | |
| 268 | V | C | 0.0000 | |
| 269 | V | C | 0.0000 | |
| 270 | V | C | -0.7637 | |
| 271 | D | C | -0.8894 | |
| 272 | V | C | 0.0000 | |
| 273 | S | C | -1.8444 | |
| 274 | H | C | -2.6372 | |
| 275 | E | C | -3.1366 | |
| 276 | D | C | -2.6133 | |
| 277 | P | C | -2.5264 | |
| 278 | E | C | -3.1475 | |
| 279 | V | C | -2.0654 | |
| 280 | K | C | -2.2124 | |
| 281 | F | C | -1.1645 | |
| 282 | N | C | -1.1165 | |
| 283 | W | C | 0.0000 | |
| 284 | Y | C | -0.5528 | |
| 285 | V | C | -0.7698 | |
| 286 | D | C | -1.9673 | |
| 287 | G | C | -0.8001 | |
| 288 | V | C | 0.6436 | |
| 289 | E | C | -0.6430 | |
| 290 | V | C | -0.5873 | |
| 291 | H | C | -1.8895 | |
| 292 | N | C | -2.1792 | |
| 293 | A | C | -1.9111 | |
| 294 | K | C | -2.4444 | |
| 295 | T | C | -1.9888 | |
| 296 | K | C | -2.4165 | |
| 297 | P | C | -2.5171 | |
| 298 | R | C | -3.7672 | |
| 299 | E | C | -3.8470 | |
| 300 | E | C | -3.3614 | |
| 301 | Q | C | -1.5126 | |
| 302 | Y | C | 0.2558 | |
| 303 | N | C | -0.2723 | |
| 304 | S | C | -0.8529 | |
| 305 | T | C | 0.0000 | |
| 306 | Y | C | 0.0000 | |
| 307 | R | C | -2.4514 | |
| 308 | V | C | 0.0000 | |
| 309 | V | C | 0.0000 | |
| 310 | S | C | 0.0000 | |
| 311 | V | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | T | C | -0.8065 | |
| 314 | V | C | 0.0000 | |
| 315 | L | C | 0.2528 | |
| 316 | H | C | -0.3823 | |
| 317 | Q | C | -1.3006 | |
| 318 | D | C | -1.5925 | |
| 319 | W | C | 0.0000 | |
| 320 | L | C | -1.0367 | |
| 321 | N | C | -2.1203 | |
| 322 | G | C | -2.0790 | |
| 323 | K | C | -2.1769 | |
| 324 | E | C | -1.9797 | |
| 325 | Y | C | 0.0000 | |
| 326 | K | C | -1.4764 | |
| 327 | C | C | 0.0000 | |
| 328 | K | C | -1.4199 | |
| 329 | V | C | 0.0000 | |
| 330 | S | C | -1.4096 | |
| 331 | N | C | 0.0000 | |
| 332 | K | C | -2.5500 | |
| 333 | A | C | -1.4363 | |
| 334 | L | C | 0.0000 | |
| 335 | P | C | -0.8775 | |
| 336 | A | C | -1.1245 | |
| 337 | P | C | -1.1344 | |
| 338 | I | C | -0.6805 | |
| 339 | E | C | -1.9460 | |
| 340 | K | C | -1.1821 | |
| 341 | T | C | -0.9865 | |
| 342 | I | C | -0.1846 | |
| 343 | S | C | -1.1101 | |
| 344 | K | C | -1.2552 | |
| 345 | A | C | -1.1557 | |
| 346 | K | C | -2.3479 | |
| 347 | G | C | -1.9929 | |
| 348 | Q | C | -2.1586 | |
| 349 | P | C | -1.8162 | |
| 350 | R | C | -2.2029 | |
| 351 | E | C | -2.6922 | |
| 352 | P | C | 0.0000 | |
| 353 | Q | C | -1.3597 | |
| 354 | V | C | 0.0000 | |
| 355 | Y | C | 0.0000 | |
| 356 | T | C | -0.7061 | |
| 357 | L | C | 0.0000 | |
| 358 | P | C | -0.3411 | |
| 359 | P | C | 0.0000 | |
| 360 | S | C | -1.5291 | |
| 361 | R | C | -2.7063 | |
| 362 | E | C | -2.9064 | |
| 363 | E | C | 0.0000 | |
| 364 | M | C | -2.0046 | |
| 365 | T | C | -1.7553 | |
| 366 | K | C | -2.3524 | |
| 367 | N | C | -2.5623 | |
| 368 | Q | C | -2.2854 | |
| 369 | V | C | 0.0000 | |
| 370 | S | C | 0.0000 | |
| 371 | L | C | 0.0000 | |
| 372 | T | C | 0.0000 | |
| 373 | C | C | 0.0000 | |
| 374 | L | C | 0.0000 | |
| 375 | V | C | 0.0000 | |
| 376 | K | C | -0.5522 | |
| 377 | G | C | -1.0502 | |
| 378 | F | C | 0.0000 | |
| 379 | Y | C | -1.1095 | |
| 380 | P | C | 0.0000 | |
| 381 | S | C | -0.1581 | |
| 382 | D | C | -1.0259 | |
| 383 | I | C | 0.0000 | |
| 384 | A | C | -0.6687 | |
| 385 | V | C | 0.0000 | |
| 386 | E | C | -1.1394 | |
| 387 | W | C | 0.0000 | |
| 388 | E | C | -1.7018 | |
| 389 | S | C | 0.0000 | |
| 390 | N | C | -1.8905 | |
| 391 | G | C | -1.7467 | |
| 392 | Q | C | -2.2691 | |
| 393 | P | C | -1.8911 | |
| 394 | E | C | -1.7786 | |
| 395 | N | C | -1.9979 | |
| 396 | N | C | -1.3195 | |
| 397 | Y | C | -0.9951 | |
| 398 | K | C | -0.8195 | |
| 399 | T | C | -0.2938 | |
| 400 | T | C | 0.0000 | |
| 401 | P | C | -0.1399 | |
| 402 | P | C | 0.1625 | |
| 403 | V | C | 0.5770 | |
| 404 | L | C | 0.8197 | |
| 405 | D | C | -0.4385 | |
| 406 | S | C | -1.1029 | |
| 407 | D | C | -1.8957 | |
| 408 | G | C | -0.8882 | |
| 409 | S | C | 0.0000 | |
| 410 | F | C | 0.1589 | |
| 411 | F | C | 0.0000 | |
| 412 | L | C | 0.0000 | |
| 413 | Y | C | 0.0000 | |
| 414 | S | C | 0.0000 | |
| 415 | K | C | 0.0000 | |
| 416 | L | C | 0.0000 | |
| 417 | T | C | -0.8903 | |
| 418 | V | C | 0.0000 | |
| 419 | D | C | -2.5355 | |
| 420 | K | C | -2.7186 | |
| 421 | S | C | -2.3202 | |
| 422 | R | C | -2.1634 | |
| 423 | W | C | 0.0000 | |
| 424 | Q | C | -2.4581 | |
| 425 | Q | C | -2.2419 | |
| 426 | G | C | -1.3977 | |
| 427 | N | C | -1.1625 | |
| 428 | V | C | 0.0235 | |
| 429 | F | C | 0.0000 | |
| 430 | S | C | 0.0000 | |
| 431 | C | C | 0.0000 | |
| 432 | S | C | 0.0000 | |
| 433 | V | C | 0.0000 | |
| 434 | M | C | 0.0000 | |
| 435 | H | C | 0.0000 | |
| 436 | E | C | -1.0985 | |
| 437 | A | C | -1.5369 | |
| 438 | L | C | -1.4422 | |
| 439 | H | C | -1.7529 | |
| 440 | N | C | -1.6675 | |
| 441 | H | C | -1.1864 | |
| 442 | Y | C | -0.3833 | |
| 443 | T | C | -0.6640 | |
| 444 | Q | C | -1.0076 | |
| 445 | K | C | -0.9619 | |
| 446 | S | C | -0.4466 | |
| 447 | L | C | 0.0000 | |
| 448 | S | C | -0.2623 | |
| 449 | L | C | -0.4461 | |
| 450 | S | C | -0.6278 | |
| 451 | P | C | -1.1139 | |
| 452 | G | C | -1.4310 | |
| 453 | K | C | -2.0304 | |
| 1 | E | D | -2.1266 | |
| 2 | V | D | -1.2831 | |
| 3 | Q | D | -1.2823 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 1.0688 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.2452 | |
| 8 | G | D | -0.7366 | |
| 9 | G | D | -0.3435 | |
| 10 | G | D | -0.2862 | |
| 11 | L | D | -0.1289 | |
| 12 | V | D | 0.0000 | |
| 13 | Q | D | -1.7690 | |
| 14 | P | D | -1.9656 | |
| 15 | G | D | -1.6296 | |
| 16 | G | D | -1.2409 | |
| 17 | S | D | -1.3680 | |
| 18 | L | D | -1.1261 | |
| 19 | R | D | -2.0182 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.2921 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.0087 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -0.9738 | |
| 26 | G | D | -1.2713 | |
| 27 | Y | D | -0.6043 | |
| 28 | T | D | -0.1648 | |
| 29 | F | D | 0.0000 | |
| 30 | T | D | 0.2312 | |
| 31 | N | D | -0.0287 | |
| 32 | Y | D | 0.4416 | |
| 33 | G | D | 0.0000 | |
| 34 | M | D | 0.0000 | |
| 35 | N | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | -0.8434 | |
| 40 | A | D | -1.2176 | |
| 41 | P | D | -0.9612 | |
| 42 | G | D | -1.4476 | |
| 43 | K | D | -2.3838 | |
| 44 | G | D | -1.6655 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -1.2834 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | G | D | 0.0000 | |
| 50 | W | D | -0.1446 | |
| 51 | I | D | 0.0000 | |
| 52 | N | D | -0.4808 | |
| 53 | T | D | 0.0000 | |
| 54 | Y | D | 0.7602 | |
| 55 | T | D | -0.1934 | |
| 56 | G | D | -0.8538 | |
| 57 | E | D | -1.8688 | |
| 58 | P | D | -1.2736 | |
| 59 | T | D | -0.5418 | |
| 60 | Y | D | -0.7544 | |
| 61 | A | D | 0.0000 | |
| 62 | A | D | -1.6778 | |
| 63 | D | D | -2.6259 | |
| 64 | F | D | 0.0000 | |
| 65 | K | D | -3.1316 | |
| 66 | R | D | -3.2260 | |
| 67 | R | D | -2.2612 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -1.1405 | |
| 70 | F | D | 0.0000 | |
| 71 | S | D | -0.3684 | |
| 72 | L | D | -0.0766 | |
| 73 | D | D | -0.8387 | |
| 74 | T | D | -0.6715 | |
| 75 | S | D | -1.1314 | |
| 76 | K | D | -1.9219 | |
| 77 | S | D | -1.0590 | |
| 78 | T | D | 0.0000 | |
| 79 | A | D | 0.0000 | |
| 80 | Y | D | -0.4124 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.2032 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.7177 | |
| 85 | S | D | -1.6117 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -2.9386 | |
| 88 | A | D | -2.0149 | |
| 89 | E | D | -2.4305 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.8613 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.1779 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | K | D | 0.0000 | |
| 99 | Y | D | 0.0000 | |
| 100 | P | D | 0.0772 | |
| 101 | H | D | 0.1766 | |
| 102 | Y | D | 0.9333 | |
| 103 | Y | D | 0.5983 | |
| 104 | G | D | -0.1383 | |
| 105 | S | D | -0.0701 | |
| 106 | S | D | -0.1406 | |
| 107 | H | D | -0.0975 | |
| 108 | W | D | 0.1521 | |
| 109 | Y | D | 0.0000 | |
| 110 | F | D | 0.0000 | |
| 111 | D | D | -0.2986 | |
| 112 | V | D | -0.3232 | |
| 113 | W | D | 0.0000 | |
| 114 | G | D | 0.0000 | |
| 115 | Q | D | -1.3342 | |
| 116 | G | D | 0.0000 | |
| 117 | T | D | 0.0501 | |
| 118 | L | D | 0.0692 | |
| 119 | V | D | 0.0000 | |
| 120 | T | D | -0.5582 | |
| 121 | V | D | 0.0000 | |
| 122 | S | D | -1.0864 | |
| 123 | S | D | -0.7343 | |
| 124 | A | D | -0.4877 | |
| 125 | S | D | -0.5729 | |
| 126 | T | D | -0.7277 | |
| 127 | K | D | -1.1523 | |
| 128 | G | D | -1.3614 | |
| 129 | P | D | 0.0000 | |
| 130 | S | D | -0.3653 | |
| 131 | V | D | 0.0000 | |
| 132 | F | D | 0.0000 | |
| 133 | P | D | -1.2277 | |
| 134 | L | D | 0.0000 | |
| 135 | A | D | -1.2326 | |
| 136 | P | D | 0.0000 | |
| 137 | S | D | -0.7892 | |
| 138 | S | D | -0.7209 | |
| 139 | K | D | -0.5471 | |
| 140 | S | D | 0.0000 | |
| 141 | T | D | -0.8008 | |
| 142 | S | D | -1.0301 | |
| 143 | G | D | -1.2226 | |
| 144 | G | D | -1.1915 | |
| 145 | T | D | -0.6013 | |
| 146 | A | D | 0.0000 | |
| 147 | A | D | 0.0000 | |
| 148 | L | D | 0.0000 | |
| 149 | G | D | 0.0000 | |
| 150 | C | D | 0.0000 | |
| 151 | L | D | 0.0000 | |
| 152 | V | D | 0.0000 | |
| 153 | K | D | 0.0000 | |
| 154 | D | D | -0.2969 | |
| 155 | Y | D | 0.0000 | |
| 156 | F | D | 0.0000 | |
| 157 | P | D | 0.0000 | |
| 158 | E | D | -0.4346 | |
| 159 | P | D | -0.7376 | |
| 160 | V | D | -0.8264 | |
| 161 | T | D | -0.7641 | |
| 162 | V | D | -0.3120 | |
| 163 | S | D | -0.4550 | |
| 164 | W | D | 0.0000 | |
| 165 | N | D | -0.7228 | |
| 166 | S | D | -0.6466 | |
| 167 | G | D | -0.4902 | |
| 168 | A | D | -0.2242 | |
| 169 | L | D | 0.0190 | |
| 170 | T | D | -0.1584 | |
| 171 | S | D | -0.1717 | |
| 172 | G | D | -0.1901 | |
| 173 | V | D | 0.1786 | |
| 174 | H | D | -0.3178 | |
| 175 | T | D | -0.1829 | |
| 176 | F | D | 0.0000 | |
| 177 | P | D | -0.3053 | |
| 178 | A | D | 0.2382 | |
| 179 | V | D | 0.5147 | |
| 180 | L | D | 1.1670 | |
| 181 | Q | D | 0.2960 | |
| 182 | S | D | -0.0673 | |
| 183 | S | D | -0.1984 | |
| 184 | G | D | 0.0469 | |
| 185 | L | D | 0.1595 | |
| 186 | Y | D | 0.4848 | |
| 187 | S | D | 0.0000 | |
| 188 | L | D | 0.0000 | |
| 189 | S | D | 0.0000 | |
| 190 | S | D | 0.0000 | |
| 191 | V | D | 0.0000 | |
| 192 | V | D | 0.0000 | |
| 193 | T | D | -0.1275 | |
| 194 | V | D | 0.0000 | |
| 195 | P | D | -0.5982 | |
| 196 | S | D | -0.5601 | |
| 197 | S | D | -0.5700 | |
| 198 | S | D | -0.5431 | |
| 199 | L | D | -0.7407 | |
| 200 | G | D | -0.9243 | |
| 201 | T | D | -0.6596 | |
| 202 | Q | D | -1.1101 | |
| 203 | T | D | -1.0524 | |
| 204 | Y | D | 0.0000 | |
| 205 | I | D | -1.2054 | |
| 206 | C | D | 0.0000 | |
| 207 | N | D | -1.5525 | |
| 208 | V | D | 0.0000 | |
| 209 | N | D | -2.4562 | |
| 210 | H | D | 0.0000 | |
| 211 | K | D | -2.8652 | |
| 212 | P | D | -1.5908 | |
| 213 | S | D | -1.8428 | |
| 214 | N | D | -2.6732 | |
| 215 | T | D | -2.2002 | |
| 216 | K | D | -2.9038 | |
| 217 | V | D | -1.6613 | |
| 218 | D | D | -2.4364 | |
| 219 | K | D | -2.0252 | |
| 220 | K | D | -2.3621 | |
| 221 | V | D | 0.0000 | |
| 222 | E | D | -2.8061 | |
| 223 | P | D | -1.8249 | |
| 224 | K | D | -2.5445 | |
| 225 | S | D | -2.0759 | |
| 226 | C | D | -1.9495 | |
| 227 | D | D | -3.0247 | |
| 228 | K | D | -2.6669 | |
| 229 | T | D | -1.7847 | |
| 230 | H | D | -1.5089 | |
| 231 | T | D | -1.0558 | |
| 232 | C | D | 0.0000 | |
| 233 | P | D | -0.4685 | |
| 234 | P | D | -0.2471 | |
| 235 | C | D | -0.0027 | |
| 236 | P | D | -0.1553 | |
| 237 | A | D | -0.3869 | |
| 238 | P | D | -0.8046 | |
| 239 | E | D | -1.5231 | |
| 240 | L | D | -0.3071 | |
| 241 | L | D | -0.2657 | |
| 242 | G | D | -0.4442 | |
| 243 | G | D | -0.3035 | |
| 244 | P | D | 0.0000 | |
| 245 | S | D | 0.0402 | |
| 246 | V | D | 0.0000 | |
| 247 | F | D | 1.2300 | |
| 248 | L | D | 0.9444 | |
| 249 | F | D | 1.0617 | |
| 250 | P | D | -0.2561 | |
| 251 | P | D | 0.0000 | |
| 252 | K | D | -2.3780 | |
| 253 | P | D | -1.5410 | |
| 254 | K | D | -1.5177 | |
| 255 | D | D | -1.5451 | |
| 256 | T | D | 0.0000 | |
| 257 | L | D | 0.0000 | |
| 258 | M | D | 0.0891 | |
| 259 | I | D | 1.2684 | |
| 260 | S | D | -0.1470 | |
| 261 | R | D | -1.6731 | |
| 262 | T | D | -1.0083 | |
| 263 | P | D | 0.0000 | |
| 264 | E | D | -1.3805 | |
| 265 | V | D | 0.0000 | |
| 266 | T | D | 0.1115 | |
| 267 | C | D | 0.0000 | |
| 268 | V | D | 0.0000 | |
| 269 | V | D | 0.0000 | |
| 270 | V | D | -0.6326 | |
| 271 | D | D | -0.7590 | |
| 272 | V | D | 0.0000 | |
| 273 | S | D | -1.6125 | |
| 274 | H | D | -2.2725 | |
| 275 | E | D | -2.9939 | |
| 276 | D | D | -2.5338 | |
| 277 | P | D | -2.3744 | |
| 278 | E | D | -3.0971 | |
| 279 | V | D | -2.0596 | |
| 280 | K | D | -2.2156 | |
| 281 | F | D | -1.0838 | |
| 282 | N | D | -1.0089 | |
| 283 | W | D | 0.0000 | |
| 284 | Y | D | -0.5604 | |
| 285 | V | D | -0.7683 | |
| 286 | D | D | -1.9616 | |
| 287 | G | D | -0.7954 | |
| 288 | V | D | 0.6322 | |
| 289 | E | D | -0.6627 | |
| 290 | V | D | -0.5939 | |
| 291 | H | D | -1.8901 | |
| 292 | N | D | -2.1801 | |
| 293 | A | D | -1.8819 | |
| 294 | K | D | -2.3693 | |
| 295 | T | D | -1.8421 | |
| 296 | K | D | -2.0186 | |
| 297 | P | D | -2.1851 | |
| 298 | R | D | -3.3203 | |
| 299 | E | D | -3.1269 | |
| 300 | E | D | -2.9330 | |
| 301 | Q | D | -1.2896 | |
| 302 | Y | D | 0.3778 | |
| 303 | N | D | -0.2239 | |
| 304 | S | D | -0.6871 | |
| 305 | T | D | 0.0000 | |
| 306 | Y | D | -2.1418 | |
| 307 | R | D | -2.0756 | |
| 308 | V | D | 0.0000 | |
| 309 | V | D | 0.0000 | |
| 310 | S | D | 0.0000 | |
| 311 | V | D | 0.0000 | |
| 312 | L | D | 0.0000 | |
| 313 | T | D | -0.7985 | |
| 314 | V | D | 0.0000 | |
| 315 | L | D | 0.3647 | |
| 316 | H | D | -0.3872 | |
| 317 | Q | D | -1.2734 | |
| 318 | D | D | -1.5494 | |
| 319 | W | D | 0.0000 | |
| 320 | L | D | -1.0221 | |
| 321 | N | D | -2.1019 | |
| 322 | G | D | -2.0634 | |
| 323 | K | D | -2.1329 | |
| 324 | E | D | -1.9691 | |
| 325 | Y | D | 0.0000 | |
| 326 | K | D | -1.2852 | |
| 327 | C | D | 0.0000 | |
| 328 | K | D | -1.0783 | |
| 329 | V | D | 0.0000 | |
| 330 | S | D | -1.3123 | |
| 331 | N | D | 0.0000 | |
| 332 | K | D | -2.5773 | |
| 333 | A | D | -1.4733 | |
| 334 | L | D | 0.0000 | |
| 335 | P | D | -0.5882 | |
| 336 | A | D | -0.7241 | |
| 337 | P | D | -0.9391 | |
| 338 | I | D | -0.3236 | |
| 339 | E | D | -1.1984 | |
| 340 | K | D | -0.7953 | |
| 341 | T | D | -0.7590 | |
| 342 | I | D | -0.1899 | |
| 343 | S | D | -1.1078 | |
| 344 | K | D | -1.2859 | |
| 345 | A | D | -1.1905 | |
| 346 | K | D | -2.3486 | |
| 347 | G | D | -1.9651 | |
| 348 | Q | D | -2.1000 | |
| 349 | P | D | -1.6997 | |
| 350 | R | D | -1.9618 | |
| 351 | E | D | -2.5736 | |
| 352 | P | D | 0.0000 | |
| 353 | Q | D | -1.3542 | |
| 354 | V | D | 0.0000 | |
| 355 | Y | D | 0.0000 | |
| 356 | T | D | -0.7525 | |
| 357 | L | D | 0.0000 | |
| 358 | P | D | -0.3927 | |
| 359 | P | D | -0.8314 | |
| 360 | S | D | 0.0000 | |
| 361 | R | D | -2.5338 | |
| 362 | E | D | -2.5195 | |
| 363 | E | D | 0.0000 | |
| 364 | M | D | -1.8270 | |
| 365 | T | D | -1.5875 | |
| 366 | K | D | -2.1731 | |
| 367 | N | D | -2.5385 | |
| 368 | Q | D | -2.3467 | |
| 369 | V | D | 0.0000 | |
| 370 | S | D | 0.0000 | |
| 371 | L | D | 0.0000 | |
| 372 | T | D | 0.0000 | |
| 373 | C | D | 0.0000 | |
| 374 | L | D | 0.0000 | |
| 375 | V | D | 0.0000 | |
| 376 | K | D | -0.4884 | |
| 377 | G | D | -0.9727 | |
| 378 | F | D | 0.0000 | |
| 379 | Y | D | -1.0008 | |
| 380 | P | D | 0.0000 | |
| 381 | S | D | -0.1898 | |
| 382 | D | D | -1.2385 | |
| 383 | I | D | 0.0000 | |
| 384 | A | D | 0.0000 | |
| 385 | V | D | 0.0000 | |
| 386 | E | D | -1.1455 | |
| 387 | W | D | 0.0000 | |
| 388 | E | D | -1.6522 | |
| 389 | S | D | 0.0000 | |
| 390 | N | D | -1.7890 | |
| 391 | G | D | -1.7015 | |
| 392 | Q | D | -2.2726 | |
| 393 | P | D | -1.9198 | |
| 394 | E | D | -1.8160 | |
| 395 | N | D | -2.0216 | |
| 396 | N | D | -1.3745 | |
| 397 | Y | D | -0.8889 | |
| 398 | K | D | -0.6314 | |
| 399 | T | D | -0.2029 | |
| 400 | T | D | 0.0000 | |
| 401 | P | D | -0.1070 | |
| 402 | P | D | 0.2023 | |
| 403 | V | D | 0.6906 | |
| 404 | L | D | 1.0846 | |
| 405 | D | D | -0.3393 | |
| 406 | S | D | -1.0546 | |
| 407 | D | D | -1.8232 | |
| 408 | G | D | -0.7447 | |
| 409 | S | D | 0.0000 | |
| 410 | F | D | 0.3000 | |
| 411 | F | D | 0.0000 | |
| 412 | L | D | 0.0000 | |
| 413 | Y | D | 0.0000 | |
| 414 | S | D | 0.0000 | |
| 415 | K | D | 0.0000 | |
| 416 | L | D | 0.0000 | |
| 417 | T | D | -0.9047 | |
| 418 | V | D | 0.0000 | |
| 419 | D | D | -2.5417 | |
| 420 | K | D | -2.6933 | |
| 421 | S | D | -2.2803 | |
| 422 | R | D | -2.0550 | |
| 423 | W | D | 0.0000 | |
| 424 | Q | D | -2.2746 | |
| 425 | Q | D | -2.0732 | |
| 426 | G | D | -1.1335 | |
| 427 | N | D | -0.8513 | |
| 428 | V | D | 0.5154 | |
| 429 | F | D | 0.0000 | |
| 430 | S | D | 0.0000 | |
| 431 | C | D | 0.0000 | |
| 432 | S | D | 0.0000 | |
| 433 | V | D | 0.0000 | |
| 434 | M | D | 0.0000 | |
| 435 | H | D | 0.0000 | |
| 436 | E | D | -1.1107 | |
| 437 | A | D | -1.4716 | |
| 438 | L | D | -1.4097 | |
| 439 | H | D | -1.7540 | |
| 440 | N | D | -1.6674 | |
| 441 | H | D | -1.1960 | |
| 442 | Y | D | -0.3841 | |
| 443 | T | D | -0.6382 | |
| 444 | Q | D | -0.9560 | |
| 445 | K | D | -0.8846 | |
| 446 | S | D | -0.2945 | |
| 447 | L | D | 0.0000 | |
| 448 | S | D | -0.0038 | |
| 449 | L | D | -0.2457 | |
| 450 | S | D | -0.5233 | |
| 451 | P | D | -1.0627 | |
| 452 | G | D | -1.4220 | |
| 453 | K | D | -2.0300 |
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 | -0.711 | 3.3719 | View | CSV | PDB |
| 4.5 | -0.7599 | 3.362 | View | CSV | PDB |
| 5.0 | -0.8166 | 3.3581 | View | CSV | PDB |
| 5.5 | -0.8696 | 3.3697 | View | CSV | PDB |
| 6.0 | -0.9067 | 3.3992 | View | CSV | PDB |
| 6.5 | -0.9184 | 3.4478 | View | CSV | PDB |
| 7.0 | -0.905 | 3.5154 | View | CSV | PDB |
| 7.5 | -0.8755 | 3.5962 | View | CSV | PDB |
| 8.0 | -0.8375 | 3.6826 | View | CSV | PDB |
| 8.5 | -0.7934 | 3.7692 | View | CSV | PDB |
| 9.0 | -0.7435 | 3.8502 | 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