| Chain sequence(s) |
A: EIVMTQSPASLSLSQEEKVTITCKASQSVSFAGTGLVHWYQQKPGQAPKLLIYQASKLEAGVPSRFSGSGSGTDFSFTISSLEPEDVAVYYCQQSREYPWTFGQGTKLEIKRNDAQPAVYLFQPSPDQLHTGSASVVCLLNSFYPKDINVKWKVDGVIQDTGIQESVTEQDKDSTYSLSSTLTMSSTEYLSHELYSCEITHKSLPSTLIKSFQRSEC
C: EVQLVESGGDLVKPGGSLRLSCVASGFTFHNYGMSWVRQAPGKGLQWVATISYGGSYTYYPDNIKGRFTISRDNAKNTLYLQMNSLRAEDTAMYYCVRGYGYDSMDYWGQGTLVTVSSASTTAPSVFPLAPSCGSTSGSTVALACLVSGYFPEPVTVSWNSGSLTSGVHTFPSVLQSSGLYSLSSMVTVPSSRWPSETFTCNVAHPASKTKVDKPVPKRENGRVPRPPDCPKCPAPEMLGGPSVFIFPPKPKDTLLIARTPEVTCVVVDLDPEDPEVQISWFVDGKQMQTAKTQPREEQFNGTYRVVSVLPIGHQDWLKGKQFTCKVNNKALPSPIERTISKARGQAHQPSVYVLPPSREELSKNTVSLTCLIKDFFPPDIDVEWQSNGQQEPESKYRTTPPQLDEDGSYFLYSKLSVDKSRWQRGDTFICAVMHEALHNHYTQESLSHSPG B: EIVMTQSPASLSLSQEEKVTITCKASQSVSFAGTGLVHWYQQKPGQAPKLLIYQASKLEAGVPSRFSGSGSGTDFSFTISSLEPEDVAVYYCQQSREYPWTFGQGTKLEIKRNDAQPAVYLFQPSPDQLHTGSASVVCLLNSFYPKDINVKWKVDGVIQDTGIQESVTEQDKDSTYSLSSTLTMSSTEYLSHELYSCEITHKSLPSTLIKSFQRSEC D: EVQLVESGGDLVKPGGSLRLSCVASGFTFHNYGMSWVRQAPGKGLQWVATISYGGSYTYYPDNIKGRFTISRDNAKNTLYLQMNSLRAEDTAMYYCVRGYGYDSMDYWGQGTLVTVSSASTTAPSVFPLAPSCGSTSGSTVALACLVSGYFPEPVTVSWNSGSLTSGVHTFPSVLQSSGLYSLSSMVTVPSSRWPSETFTCNVAHPASKTKVDKPVPKRENGRVPRPPDCPKCPAPEMLGGPSVFIFPPKPKDTLLIARTPEVTCVVVDLDPEDPEVQISWFVDGKQMQTAKTQPREEQFNGTYRVVSVLPIGHQDWLKGKQFTCKVNNKALPSPIERTISKARGQAHQPSVYVLPPSREELSKNTVSLTCLIKDFFPPDIDVEWQSNGQQEPESKYRTTPPQLDEDGSYFLYSKLSVDKSRWQRGDTFICAVMHEALHNHYTQESLSHSPG 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] (00:00:01)
[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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/dcf7bf165d90e18/tmp/folded.pdb (00:20:14)
[INFO] Main: Simulation completed successfully. (00:30:37)
|
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 | -1.7016 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.7292 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.4789 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.5498 | |
| 8 | P | A | -0.5295 | |
| 9 | A | A | -0.6499 | |
| 10 | S | A | -0.7445 | |
| 11 | L | A | -0.4120 | |
| 12 | S | A | -0.5844 | |
| 13 | L | A | -1.1563 | |
| 14 | S | A | -2.0902 | |
| 15 | Q | A | -2.6014 | |
| 16 | E | A | -3.2859 | |
| 17 | E | A | -3.1839 | |
| 18 | K | A | -2.7977 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6321 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.7282 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -1.8545 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -0.9140 | |
| 27 | Q | A | -1.6519 | |
| 28 | S | A | -1.1540 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.0729 | |
| 31 | F | A | 0.9850 | |
| 32 | A | A | 0.3980 | |
| 33 | G | A | -0.1260 | |
| 34 | T | A | -0.0809 | |
| 35 | G | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | V | 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 | -1.4930 | |
| 44 | P | A | -1.2213 | |
| 45 | G | A | -1.4845 | |
| 46 | Q | A | -2.0217 | |
| 47 | A | A | -1.2915 | |
| 48 | P | A | 0.0000 | |
| 49 | K | A | -1.3024 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | Y | A | -0.6184 | |
| 54 | Q | A | -0.6543 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | -1.0060 | |
| 57 | K | A | -1.3817 | |
| 58 | L | A | -0.4145 | |
| 59 | E | A | -0.6950 | |
| 60 | A | A | -0.3819 | |
| 61 | G | A | -0.4277 | |
| 62 | V | A | -0.3200 | |
| 63 | P | A | -0.3854 | |
| 64 | S | A | -0.4337 | |
| 65 | R | A | -0.7661 | |
| 66 | F | A | 0.0000 | |
| 67 | S | A | -0.5149 | |
| 68 | G | A | 0.0000 | |
| 69 | S | A | -0.9193 | |
| 70 | G | A | -1.1811 | |
| 71 | S | A | -1.0297 | |
| 72 | G | A | -1.0473 | |
| 73 | T | A | -1.6826 | |
| 74 | D | A | -2.2046 | |
| 75 | F | A | 0.0000 | |
| 76 | S | A | -0.7669 | |
| 77 | F | A | 0.0000 | |
| 78 | T | A | -0.5651 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | -1.5654 | |
| 81 | S | A | -2.2834 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -2.5292 | |
| 84 | P | A | -2.5987 | |
| 85 | E | A | -2.4577 | |
| 86 | D | A | 0.0000 | |
| 87 | V | A | -1.3947 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | -0.5033 | |
| 90 | Y | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | Q | A | 0.0000 | |
| 94 | Q | A | 0.0000 | |
| 95 | S | A | 0.0000 | |
| 96 | R | A | -0.9201 | |
| 97 | E | A | -1.7228 | |
| 98 | Y | A | -0.6913 | |
| 99 | P | A | -0.9910 | |
| 100 | W | A | 0.0000 | |
| 101 | T | A | -0.2992 | |
| 102 | F | A | 0.0523 | |
| 103 | G | A | 0.0000 | |
| 104 | Q | A | -1.4797 | |
| 105 | G | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | K | A | -1.5749 | |
| 108 | L | A | 0.0000 | |
| 109 | E | A | -1.1095 | |
| 110 | I | A | 0.0000 | |
| 111 | K | A | -1.9188 | |
| 112 | R | A | -2.3406 | |
| 113 | N | A | -2.7243 | |
| 114 | D | A | -3.3556 | |
| 115 | A | A | -2.1862 | |
| 116 | Q | A | -1.9381 | |
| 117 | P | A | 0.0000 | |
| 118 | A | A | -0.1994 | |
| 119 | V | A | 0.0000 | |
| 120 | Y | A | 0.0398 | |
| 121 | L | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | Q | A | -0.1949 | |
| 124 | P | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | P | A | -0.1428 | |
| 127 | D | A | 0.0000 | |
| 128 | Q | A | 0.0000 | |
| 129 | L | A | -0.1185 | |
| 130 | H | A | -0.8523 | |
| 131 | T | A | -0.8850 | |
| 132 | G | A | -1.1455 | |
| 133 | S | A | -0.5052 | |
| 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 | S | A | -0.8008 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | P | A | -2.4837 | |
| 146 | K | A | -2.5769 | |
| 147 | D | A | -2.7703 | |
| 148 | I | A | -1.7704 | |
| 149 | N | A | -1.9862 | |
| 150 | V | A | -0.8063 | |
| 151 | K | A | -1.1159 | |
| 152 | W | A | 0.0000 | |
| 153 | K | A | 0.0586 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -0.7730 | |
| 156 | G | A | 0.1902 | |
| 157 | V | A | 1.5177 | |
| 158 | I | A | 0.8728 | |
| 159 | Q | A | -0.4063 | |
| 160 | D | A | -1.6071 | |
| 161 | T | A | -0.9341 | |
| 162 | G | A | -0.7052 | |
| 163 | I | A | -0.6842 | |
| 164 | Q | A | -0.6171 | |
| 165 | E | A | -1.0791 | |
| 166 | S | A | -0.5709 | |
| 167 | V | A | -0.3795 | |
| 168 | T | A | 0.0000 | |
| 169 | E | A | -1.9357 | |
| 170 | Q | A | -1.9198 | |
| 171 | D | A | -2.7307 | |
| 172 | K | A | -3.3751 | |
| 173 | D | A | -2.7569 | |
| 174 | S | A | 0.0000 | |
| 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 | -0.3334 | |
| 182 | L | A | 0.0000 | |
| 183 | T | A | -0.2163 | |
| 184 | M | A | -0.3364 | |
| 185 | S | A | -0.8367 | |
| 186 | S | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | E | A | -1.6229 | |
| 189 | Y | A | 0.0000 | |
| 190 | L | A | -0.4092 | |
| 191 | S | A | -0.7437 | |
| 192 | H | A | -1.1726 | |
| 193 | E | A | -1.2752 | |
| 194 | L | A | -0.5345 | |
| 195 | Y | A | 0.0000 | |
| 196 | S | A | 0.0000 | |
| 197 | C | A | 0.0000 | |
| 198 | E | A | -0.2630 | |
| 199 | I | A | 0.0000 | |
| 200 | T | A | -0.9463 | |
| 201 | H | A | 0.0000 | |
| 202 | K | A | -2.7615 | |
| 203 | S | A | -1.9225 | |
| 204 | L | A | -1.0062 | |
| 205 | P | A | -0.6693 | |
| 206 | S | A | -0.2553 | |
| 207 | T | A | -0.1623 | |
| 208 | L | A | 0.6239 | |
| 209 | I | A | 0.9439 | |
| 210 | K | A | 0.0359 | |
| 211 | S | A | -0.3327 | |
| 212 | F | A | 0.0000 | |
| 213 | Q | A | -1.7130 | |
| 214 | R | A | -1.3857 | |
| 215 | S | A | -1.4643 | |
| 216 | E | A | -2.1980 | |
| 217 | C | A | -1.2321 | |
| 1 | E | B | -1.6357 | |
| 2 | I | B | -0.5865 | |
| 3 | V | B | 0.8630 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.4206 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.5160 | |
| 8 | P | B | -0.5480 | |
| 9 | A | B | -0.6894 | |
| 10 | S | B | -0.8104 | |
| 11 | L | B | -0.4765 | |
| 12 | S | B | -0.6679 | |
| 13 | L | B | -1.2270 | |
| 14 | S | B | -2.1718 | |
| 15 | Q | B | -2.6883 | |
| 16 | E | B | -3.2944 | |
| 17 | E | B | -3.0848 | |
| 18 | K | B | -2.7963 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.6276 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.7379 | |
| 23 | C | B | 0.0000 | |
| 24 | K | B | -1.7767 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -0.8425 | |
| 27 | Q | B | -1.6447 | |
| 28 | S | B | -1.1201 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -0.0276 | |
| 31 | F | B | 1.0294 | |
| 32 | A | B | 0.4054 | |
| 33 | G | B | -0.1217 | |
| 34 | T | B | -0.0540 | |
| 35 | G | B | 0.0000 | |
| 36 | L | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | H | B | 0.0000 | |
| 39 | W | B | 0.0000 | |
| 40 | Y | B | 0.0000 | |
| 41 | Q | B | 0.0000 | |
| 42 | Q | B | 0.0000 | |
| 43 | K | B | -1.5377 | |
| 44 | P | B | -1.2081 | |
| 45 | G | B | -1.4820 | |
| 46 | Q | B | -2.0394 | |
| 47 | A | B | -1.3218 | |
| 48 | P | B | 0.0000 | |
| 49 | K | B | -1.4317 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | Y | B | -0.6471 | |
| 54 | Q | B | -0.6611 | |
| 55 | A | B | 0.0000 | |
| 56 | S | B | -0.9840 | |
| 57 | K | B | -1.3618 | |
| 58 | L | B | -0.4032 | |
| 59 | E | B | -0.7168 | |
| 60 | A | B | -0.3863 | |
| 61 | G | B | -0.4300 | |
| 62 | V | B | -0.3359 | |
| 63 | P | B | -0.3951 | |
| 64 | S | B | -0.4375 | |
| 65 | R | B | -0.7565 | |
| 66 | F | B | 0.0000 | |
| 67 | S | B | -0.5124 | |
| 68 | G | B | 0.0000 | |
| 69 | S | B | -0.9205 | |
| 70 | G | B | -1.1787 | |
| 71 | S | B | -1.0597 | |
| 72 | G | B | -1.0946 | |
| 73 | T | B | -1.7605 | |
| 74 | D | B | -2.4129 | |
| 75 | F | B | 0.0000 | |
| 76 | S | B | -0.7863 | |
| 77 | F | B | 0.0000 | |
| 78 | T | B | -0.5636 | |
| 79 | I | B | 0.0000 | |
| 80 | S | B | -1.5390 | |
| 81 | S | B | -2.2681 | |
| 82 | L | B | 0.0000 | |
| 83 | E | B | -2.4555 | |
| 84 | P | B | -2.5688 | |
| 85 | E | B | -2.4321 | |
| 86 | D | B | 0.0000 | |
| 87 | V | B | -1.3879 | |
| 88 | A | B | 0.0000 | |
| 89 | V | B | -0.5821 | |
| 90 | Y | B | 0.0000 | |
| 91 | Y | B | 0.0000 | |
| 92 | C | B | 0.0000 | |
| 93 | Q | B | 0.0000 | |
| 94 | Q | B | 0.0000 | |
| 95 | S | B | 0.0000 | |
| 96 | R | B | -1.0289 | |
| 97 | E | B | -1.9258 | |
| 98 | Y | B | -0.7496 | |
| 99 | P | B | -0.9924 | |
| 100 | W | B | 0.0000 | |
| 101 | T | B | -0.2540 | |
| 102 | F | B | 0.0934 | |
| 103 | G | B | 0.0000 | |
| 104 | Q | B | -1.4876 | |
| 105 | G | B | 0.0000 | |
| 106 | T | B | 0.0000 | |
| 107 | K | B | -1.7455 | |
| 108 | L | B | 0.0000 | |
| 109 | E | B | -1.1855 | |
| 110 | I | B | 0.0000 | |
| 111 | K | B | -2.0050 | |
| 112 | R | B | -2.3995 | |
| 113 | N | B | -2.7376 | |
| 114 | D | B | -3.3700 | |
| 115 | A | B | -2.1927 | |
| 116 | Q | B | -1.9354 | |
| 117 | P | B | 0.0000 | |
| 118 | A | B | -0.1553 | |
| 119 | V | B | 0.1124 | |
| 120 | Y | B | 0.0712 | |
| 121 | L | B | 0.0000 | |
| 122 | F | B | 0.0000 | |
| 123 | Q | B | -0.1971 | |
| 124 | P | B | 0.0000 | |
| 125 | S | B | 0.0000 | |
| 126 | P | B | -0.2640 | |
| 127 | D | B | 0.0000 | |
| 128 | Q | B | 0.0000 | |
| 129 | L | B | -0.0987 | |
| 130 | H | B | -0.8220 | |
| 131 | T | B | -0.7841 | |
| 132 | G | B | -1.1231 | |
| 133 | S | B | -0.5052 | |
| 134 | A | B | 0.0000 | |
| 135 | S | B | 0.0000 | |
| 136 | V | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | C | B | 0.0000 | |
| 139 | L | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | N | B | -0.2750 | |
| 142 | S | B | -0.8439 | |
| 143 | F | B | 0.0000 | |
| 144 | Y | B | 0.0000 | |
| 145 | P | B | -2.5184 | |
| 146 | K | B | -2.5863 | |
| 147 | D | B | -2.7825 | |
| 148 | I | B | -1.7795 | |
| 149 | N | B | -2.0263 | |
| 150 | V | B | -0.9224 | |
| 151 | K | B | -1.2442 | |
| 152 | W | B | 0.0000 | |
| 153 | K | B | 0.1587 | |
| 154 | V | B | 0.0000 | |
| 155 | D | B | -0.3232 | |
| 156 | G | B | 0.3433 | |
| 157 | V | B | 1.6621 | |
| 158 | I | B | 0.9921 | |
| 159 | Q | B | -0.3363 | |
| 160 | D | B | -1.5599 | |
| 161 | T | B | -0.8606 | |
| 162 | G | B | -0.5974 | |
| 163 | I | B | -0.6794 | |
| 164 | Q | B | -0.6834 | |
| 165 | E | B | -1.2798 | |
| 166 | S | B | -0.6824 | |
| 167 | V | B | -0.4344 | |
| 168 | T | B | 0.0000 | |
| 169 | E | B | -1.8907 | |
| 170 | Q | B | 0.0000 | |
| 171 | D | B | -2.7423 | |
| 172 | K | B | -3.3665 | |
| 173 | D | B | -2.7639 | |
| 174 | S | B | 0.0000 | |
| 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 | -0.3602 | |
| 182 | L | B | 0.0000 | |
| 183 | T | B | -0.1659 | |
| 184 | M | B | -0.2882 | |
| 185 | S | B | -0.8156 | |
| 186 | S | B | 0.0000 | |
| 187 | T | B | 0.0000 | |
| 188 | E | B | -1.5817 | |
| 189 | Y | B | 0.0000 | |
| 190 | L | B | -0.3772 | |
| 191 | S | B | -0.7253 | |
| 192 | H | B | -0.8999 | |
| 193 | E | B | -0.8019 | |
| 194 | L | B | 0.1813 | |
| 195 | Y | B | 0.0000 | |
| 196 | S | B | -0.1120 | |
| 197 | C | B | 0.0000 | |
| 198 | E | B | -0.3970 | |
| 199 | I | B | 0.0000 | |
| 200 | T | B | -0.9925 | |
| 201 | H | B | 0.0000 | |
| 202 | K | B | -2.7659 | |
| 203 | S | B | -1.9254 | |
| 204 | L | B | -1.0128 | |
| 205 | P | B | -0.6728 | |
| 206 | S | B | -0.2792 | |
| 207 | T | B | -0.2360 | |
| 208 | L | B | 0.5305 | |
| 209 | I | B | 0.6767 | |
| 210 | K | B | -0.2102 | |
| 211 | S | B | -0.3227 | |
| 212 | F | B | 0.0000 | |
| 213 | Q | B | -1.2582 | |
| 214 | R | B | -1.1448 | |
| 215 | S | B | -1.3182 | |
| 216 | E | B | -2.1606 | |
| 217 | C | B | -1.2416 | |
| 1 | E | C | -2.0683 | |
| 2 | V | C | -1.0556 | |
| 3 | Q | C | -1.0820 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 0.6745 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.5984 | |
| 8 | G | C | -1.2915 | |
| 9 | G | C | -1.2362 | |
| 10 | D | C | -1.8374 | |
| 11 | L | C | -0.9928 | |
| 12 | V | C | -1.2819 | |
| 13 | K | C | -2.0810 | |
| 14 | P | C | -1.8517 | |
| 15 | G | C | -1.4745 | |
| 16 | G | C | -1.2272 | |
| 17 | S | C | -1.4146 | |
| 18 | L | C | -1.4253 | |
| 19 | R | C | -2.4396 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.3449 | |
| 22 | C | C | 0.0000 | |
| 23 | V | C | 0.5425 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -0.6695 | |
| 26 | G | C | -1.2162 | |
| 27 | F | C | -0.7077 | |
| 28 | T | C | -0.7081 | |
| 29 | F | C | 0.0000 | |
| 30 | H | C | -1.6214 | |
| 31 | N | C | -1.1770 | |
| 32 | Y | C | 0.1574 | |
| 33 | G | C | 0.0000 | |
| 34 | M | C | 0.0000 | |
| 35 | S | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | 0.0000 | |
| 40 | A | C | -1.1210 | |
| 41 | P | C | -0.9423 | |
| 42 | G | C | -1.4273 | |
| 43 | K | C | -2.3333 | |
| 44 | G | C | -1.5261 | |
| 45 | L | C | 0.0000 | |
| 46 | Q | C | -0.8749 | |
| 47 | W | C | 0.0000 | |
| 48 | V | C | 0.0000 | |
| 49 | A | C | 0.0000 | |
| 50 | T | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | S | C | 0.0000 | |
| 53 | Y | C | 0.6420 | |
| 54 | G | C | -0.2919 | |
| 55 | G | C | -0.0147 | |
| 56 | S | C | 0.4082 | |
| 57 | Y | C | 1.3674 | |
| 58 | T | C | 0.7962 | |
| 59 | Y | C | 0.5028 | |
| 60 | Y | C | -0.8455 | |
| 61 | P | C | -1.8267 | |
| 62 | D | C | -3.0142 | |
| 63 | N | C | -2.7167 | |
| 64 | I | C | 0.0000 | |
| 65 | K | C | -2.8921 | |
| 66 | G | C | -1.9811 | |
| 67 | R | C | -1.8106 | |
| 68 | F | C | 0.0000 | |
| 69 | T | C | -0.9370 | |
| 70 | I | C | 0.0000 | |
| 71 | S | C | -0.3686 | |
| 72 | R | C | -0.8906 | |
| 73 | D | C | -1.4554 | |
| 74 | N | C | -1.8141 | |
| 75 | A | C | -1.4294 | |
| 76 | K | C | -2.1517 | |
| 77 | N | C | -1.5559 | |
| 78 | T | C | 0.0000 | |
| 79 | L | C | 0.0000 | |
| 80 | Y | C | -0.5211 | |
| 81 | L | C | 0.0000 | |
| 82 | Q | C | -1.5899 | |
| 83 | M | C | 0.0000 | |
| 84 | N | C | -1.5288 | |
| 85 | S | C | -1.3140 | |
| 86 | L | C | 0.0000 | |
| 87 | R | C | -2.3046 | |
| 88 | A | C | -1.7287 | |
| 89 | E | C | -2.2012 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.7014 | |
| 92 | A | C | 0.0000 | |
| 93 | M | C | 0.1477 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | C | C | 0.0000 | |
| 97 | V | C | 0.0000 | |
| 98 | R | C | 0.0000 | |
| 99 | G | C | 0.0000 | |
| 100 | Y | C | 0.4160 | |
| 101 | G | C | -0.1808 | |
| 102 | Y | C | 0.0015 | |
| 103 | D | C | -1.1602 | |
| 104 | S | C | 0.0000 | |
| 105 | M | C | 0.0000 | |
| 106 | D | C | -0.4520 | |
| 107 | Y | C | 0.1625 | |
| 108 | W | C | -0.1206 | |
| 109 | G | C | 0.0000 | |
| 110 | Q | C | -1.3251 | |
| 111 | G | C | -0.5380 | |
| 112 | T | C | -0.3804 | |
| 113 | L | C | -0.2543 | |
| 114 | V | C | 0.0000 | |
| 115 | T | C | 0.0000 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | -1.1172 | |
| 118 | S | C | -0.8176 | |
| 119 | A | C | -0.4298 | |
| 120 | S | C | -0.3993 | |
| 121 | T | C | -0.1693 | |
| 122 | T | C | -0.0680 | |
| 123 | A | C | -0.4932 | |
| 124 | P | C | 0.0000 | |
| 125 | S | C | -0.2907 | |
| 126 | V | C | 0.0000 | |
| 127 | F | C | 0.0000 | |
| 128 | P | C | 0.0000 | |
| 129 | L | C | 0.0000 | |
| 130 | A | C | 0.0000 | |
| 131 | P | C | 0.0000 | |
| 132 | S | C | 0.0000 | |
| 133 | C | C | -0.1500 | |
| 134 | G | C | -0.5533 | |
| 135 | S | C | -0.3751 | |
| 136 | T | C | -0.3725 | |
| 137 | S | C | -0.5859 | |
| 138 | G | C | -0.6250 | |
| 139 | S | C | -0.5541 | |
| 140 | T | C | -0.4949 | |
| 141 | V | C | 0.0000 | |
| 142 | A | C | 0.0000 | |
| 143 | L | C | 0.0000 | |
| 144 | A | C | 0.0000 | |
| 145 | C | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | V | C | 0.0000 | |
| 148 | S | C | 0.1325 | |
| 149 | G | C | 0.1147 | |
| 150 | Y | C | 0.0000 | |
| 151 | F | C | 0.0000 | |
| 152 | P | C | 0.0000 | |
| 153 | E | C | -0.7068 | |
| 154 | P | C | -0.4014 | |
| 155 | V | C | -0.1287 | |
| 156 | T | C | -0.1313 | |
| 157 | V | C | -0.0038 | |
| 158 | S | C | -0.2595 | |
| 159 | W | C | 0.0000 | |
| 160 | N | C | -0.8564 | |
| 161 | S | C | -0.8449 | |
| 162 | G | C | -0.6783 | |
| 163 | S | C | -0.5272 | |
| 164 | L | C | -0.2538 | |
| 165 | T | C | -0.2743 | |
| 166 | S | C | -0.2300 | |
| 167 | G | C | -0.1557 | |
| 168 | V | C | 0.1476 | |
| 169 | H | C | -0.2479 | |
| 170 | T | C | 0.0276 | |
| 171 | F | C | 0.0000 | |
| 172 | P | C | -0.2847 | |
| 173 | S | C | 0.2445 | |
| 174 | V | C | 0.6415 | |
| 175 | L | C | 1.3785 | |
| 176 | Q | C | 0.3417 | |
| 177 | S | C | -0.1188 | |
| 178 | S | C | -0.1609 | |
| 179 | G | C | 0.1113 | |
| 180 | L | C | 0.4356 | |
| 181 | Y | C | 0.6766 | |
| 182 | S | C | 0.0000 | |
| 183 | L | C | 0.0000 | |
| 184 | S | C | 0.0000 | |
| 185 | S | C | 0.0000 | |
| 186 | M | C | 0.0000 | |
| 187 | V | C | 0.0000 | |
| 188 | T | C | -0.1035 | |
| 189 | V | C | 0.0000 | |
| 190 | P | C | -0.5646 | |
| 191 | S | C | -0.6804 | |
| 192 | S | C | -0.7849 | |
| 193 | R | C | -1.1109 | |
| 194 | W | C | 0.0000 | |
| 195 | P | C | -1.2092 | |
| 196 | S | C | -1.0399 | |
| 197 | E | C | -1.3510 | |
| 198 | T | C | -1.0205 | |
| 199 | F | C | 0.0000 | |
| 200 | T | C | 0.0000 | |
| 201 | C | C | 0.0000 | |
| 202 | N | C | -0.7229 | |
| 203 | V | C | 0.0000 | |
| 204 | A | C | -0.6039 | |
| 205 | H | C | 0.0000 | |
| 206 | P | C | -1.2213 | |
| 207 | A | C | -1.0617 | |
| 208 | S | C | -1.0443 | |
| 209 | K | C | -2.0974 | |
| 210 | T | C | 0.0000 | |
| 211 | K | C | -1.2838 | |
| 212 | V | C | 0.0000 | |
| 213 | D | C | 0.0000 | |
| 214 | K | C | -0.6756 | |
| 215 | P | C | -0.6267 | |
| 216 | V | C | 0.0000 | |
| 217 | P | C | -1.0399 | |
| 218 | K | C | -1.9726 | |
| 219 | R | C | -2.4848 | |
| 220 | E | C | -3.4868 | |
| 221 | N | C | -3.0735 | |
| 222 | G | C | -2.7649 | |
| 223 | R | C | -3.1459 | |
| 224 | V | C | -1.8787 | |
| 225 | P | C | -1.4520 | |
| 226 | R | C | -1.1652 | |
| 227 | P | C | -0.6406 | |
| 228 | P | C | -0.5696 | |
| 229 | D | C | 0.0000 | |
| 230 | C | C | -0.8771 | |
| 231 | P | C | 0.0000 | |
| 232 | K | C | -1.8959 | |
| 233 | C | C | 0.0000 | |
| 234 | P | C | -0.7317 | |
| 235 | A | C | -0.8152 | |
| 236 | P | C | -0.7736 | |
| 237 | E | C | -1.7061 | |
| 238 | M | C | -0.7353 | |
| 239 | L | C | -0.1720 | |
| 240 | G | C | -0.5901 | |
| 241 | G | C | -0.5891 | |
| 242 | P | C | 0.0000 | |
| 243 | S | C | -0.0354 | |
| 244 | V | C | 0.0000 | |
| 245 | F | C | 1.2093 | |
| 246 | I | C | 0.9669 | |
| 247 | F | C | 1.1061 | |
| 248 | P | C | -0.1271 | |
| 249 | P | C | 0.0000 | |
| 250 | K | C | -1.9472 | |
| 251 | P | C | -1.1430 | |
| 252 | K | C | -0.8475 | |
| 253 | D | C | -0.9700 | |
| 254 | T | C | 0.0000 | |
| 255 | L | C | -0.0809 | |
| 256 | L | C | 0.8232 | |
| 257 | I | C | 1.6493 | |
| 258 | A | C | 0.5552 | |
| 259 | R | C | -0.6545 | |
| 260 | T | C | -0.6937 | |
| 261 | P | C | 0.0000 | |
| 262 | E | C | -1.1046 | |
| 263 | V | C | 0.0000 | |
| 264 | T | C | 0.3324 | |
| 265 | C | C | 0.0000 | |
| 266 | V | C | 0.0000 | |
| 267 | V | C | 0.0000 | |
| 268 | V | C | -0.8224 | |
| 269 | D | C | -1.2569 | |
| 270 | L | C | 0.0000 | |
| 271 | D | C | -1.9390 | |
| 272 | P | C | -2.0937 | |
| 273 | E | C | -2.8151 | |
| 274 | D | C | -2.7068 | |
| 275 | P | C | 0.0000 | |
| 276 | E | C | -3.0012 | |
| 277 | V | C | -1.8453 | |
| 278 | Q | C | -1.6668 | |
| 279 | I | C | -0.7383 | |
| 280 | S | C | -0.8572 | |
| 281 | W | C | 0.0000 | |
| 282 | F | C | -1.3874 | |
| 283 | V | C | -1.3876 | |
| 284 | D | C | -1.8889 | |
| 285 | G | C | -1.8947 | |
| 286 | K | C | -2.4603 | |
| 287 | Q | C | -2.2086 | |
| 288 | M | C | -1.2431 | |
| 289 | Q | C | -1.5458 | |
| 290 | T | C | -1.0766 | |
| 291 | A | C | -1.2256 | |
| 292 | K | C | -1.9693 | |
| 293 | T | C | -1.5293 | |
| 294 | Q | C | -2.0895 | |
| 295 | P | C | -2.2606 | |
| 296 | R | C | -3.4647 | |
| 297 | E | C | -3.6135 | |
| 298 | E | C | -3.1861 | |
| 299 | Q | C | -1.4245 | |
| 300 | F | C | 0.5989 | |
| 301 | N | C | -0.8353 | |
| 302 | G | C | -1.1757 | |
| 303 | T | C | -1.7474 | |
| 304 | Y | C | -2.5057 | |
| 305 | R | C | -2.3981 | |
| 306 | V | C | 0.0000 | |
| 307 | V | C | -0.8128 | |
| 308 | S | C | 0.0000 | |
| 309 | V | C | 0.0000 | |
| 310 | L | C | 0.0000 | |
| 311 | P | C | -0.6236 | |
| 312 | I | C | 0.0000 | |
| 313 | G | C | -0.6009 | |
| 314 | H | C | -0.8880 | |
| 315 | Q | C | -1.7634 | |
| 316 | D | C | -1.9852 | |
| 317 | W | C | 0.0000 | |
| 318 | L | C | -1.2611 | |
| 319 | K | C | -2.5611 | |
| 320 | G | C | 0.0000 | |
| 321 | K | C | -1.9438 | |
| 322 | Q | C | -1.6120 | |
| 323 | F | C | 0.0000 | |
| 324 | T | C | -1.3347 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -1.3251 | |
| 327 | V | C | 0.0000 | |
| 328 | N | C | -1.5800 | |
| 329 | N | C | 0.0000 | |
| 330 | K | C | -2.8344 | |
| 331 | A | C | -1.5074 | |
| 332 | L | C | 0.0000 | |
| 333 | P | C | -0.7929 | |
| 334 | S | C | -0.8723 | |
| 335 | P | C | -1.0916 | |
| 336 | I | C | -0.7724 | |
| 337 | E | C | -1.9347 | |
| 338 | R | C | -1.2256 | |
| 339 | T | C | -0.7321 | |
| 340 | I | C | 0.0307 | |
| 341 | S | C | -0.8864 | |
| 342 | K | C | -1.2918 | |
| 343 | A | C | -1.1731 | |
| 344 | R | C | -2.5050 | |
| 345 | G | C | -1.9920 | |
| 346 | Q | C | -1.9856 | |
| 347 | A | C | -1.4307 | |
| 348 | H | C | -1.5284 | |
| 349 | Q | C | -1.7237 | |
| 350 | P | C | 0.0000 | |
| 351 | S | C | -0.7956 | |
| 352 | V | C | 0.0000 | |
| 353 | Y | C | 0.0000 | |
| 354 | V | C | 0.0000 | |
| 355 | L | C | 0.0000 | |
| 356 | P | C | -0.4260 | |
| 357 | P | C | -0.8411 | |
| 358 | S | C | 0.0000 | |
| 359 | R | C | -2.6979 | |
| 360 | E | C | -2.8422 | |
| 361 | E | C | 0.0000 | |
| 362 | L | C | -1.7665 | |
| 363 | S | C | -1.7044 | |
| 364 | K | C | -2.1700 | |
| 365 | N | C | -2.3286 | |
| 366 | T | C | -1.8074 | |
| 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 | I | C | 0.0000 | |
| 374 | K | C | -0.4261 | |
| 375 | D | C | -0.9477 | |
| 376 | F | C | 0.0000 | |
| 377 | F | C | -0.8262 | |
| 378 | P | C | 0.0000 | |
| 379 | P | C | -0.0932 | |
| 380 | D | C | -0.7330 | |
| 381 | I | C | -0.3983 | |
| 382 | D | C | -0.4507 | |
| 383 | V | C | -0.1589 | |
| 384 | E | C | -0.8751 | |
| 385 | W | C | 0.0000 | |
| 386 | Q | C | -1.5845 | |
| 387 | S | C | 0.0000 | |
| 388 | N | C | -2.1231 | |
| 389 | G | C | -1.9279 | |
| 390 | Q | C | -2.4462 | |
| 391 | Q | C | -2.4705 | |
| 392 | E | C | 0.0000 | |
| 393 | P | C | -1.9272 | |
| 394 | E | C | -2.6484 | |
| 395 | S | C | -2.1752 | |
| 396 | K | C | -2.2547 | |
| 397 | Y | C | 0.0000 | |
| 398 | R | C | -1.3973 | |
| 399 | T | C | -0.5966 | |
| 400 | T | C | 0.0000 | |
| 401 | P | C | -0.1796 | |
| 402 | P | C | 0.0220 | |
| 403 | Q | C | -0.0978 | |
| 404 | L | C | 0.1299 | |
| 405 | D | C | -1.5393 | |
| 406 | E | C | -2.9340 | |
| 407 | D | C | -2.7446 | |
| 408 | G | C | -1.5175 | |
| 409 | S | C | 0.0000 | |
| 410 | Y | C | -0.3003 | |
| 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 | S | C | -1.0914 | |
| 418 | V | C | 0.0000 | |
| 419 | D | C | -2.6641 | |
| 420 | K | C | -2.5441 | |
| 421 | S | C | -2.2207 | |
| 422 | R | C | -2.3162 | |
| 423 | W | C | 0.0000 | |
| 424 | Q | C | -2.7288 | |
| 425 | R | C | -2.9123 | |
| 426 | G | C | -1.8717 | |
| 427 | D | C | -1.6216 | |
| 428 | T | C | -0.9242 | |
| 429 | F | C | 0.0000 | |
| 430 | I | C | -0.8561 | |
| 431 | C | C | 0.0000 | |
| 432 | A | C | 0.0000 | |
| 433 | V | C | 0.0000 | |
| 434 | M | C | 0.0000 | |
| 435 | H | C | 0.0000 | |
| 436 | E | C | -0.8630 | |
| 437 | A | C | -1.1994 | |
| 438 | L | C | 0.0000 | |
| 439 | H | C | -1.7384 | |
| 440 | N | C | -1.6634 | |
| 441 | H | C | -1.0590 | |
| 442 | Y | C | -0.4650 | |
| 443 | T | C | -0.8703 | |
| 444 | Q | C | -1.1176 | |
| 445 | E | C | -1.1322 | |
| 446 | S | C | -0.5911 | |
| 447 | L | C | -0.1998 | |
| 448 | S | C | -0.8170 | |
| 449 | H | C | -1.3277 | |
| 450 | S | C | -1.0702 | |
| 451 | P | C | -1.1981 | |
| 452 | G | C | -0.6934 | |
| 1 | E | D | -2.0645 | |
| 2 | V | D | -1.0536 | |
| 3 | Q | D | -1.0507 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.6925 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.5974 | |
| 8 | G | D | -1.3023 | |
| 9 | G | D | -1.2578 | |
| 10 | D | D | -1.8922 | |
| 11 | L | D | -1.0042 | |
| 12 | V | D | -1.2771 | |
| 13 | K | D | -2.0445 | |
| 14 | P | D | -1.7630 | |
| 15 | G | D | -1.4096 | |
| 16 | G | D | -1.1898 | |
| 17 | S | D | -1.3712 | |
| 18 | L | D | -1.4228 | |
| 19 | R | D | -2.4265 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.3297 | |
| 22 | C | D | 0.0000 | |
| 23 | V | D | 0.5540 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -0.6594 | |
| 26 | G | D | -1.2133 | |
| 27 | F | D | -0.7074 | |
| 28 | T | D | -0.7139 | |
| 29 | F | D | 0.0000 | |
| 30 | H | D | -1.6299 | |
| 31 | N | D | -1.1765 | |
| 32 | Y | D | 0.1618 | |
| 33 | G | D | 0.0000 | |
| 34 | M | D | 0.0000 | |
| 35 | S | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | 0.0000 | |
| 40 | A | D | -1.1141 | |
| 41 | P | D | -0.9509 | |
| 42 | G | D | -1.4338 | |
| 43 | K | D | -2.3295 | |
| 44 | G | D | -1.5149 | |
| 45 | L | D | 0.0000 | |
| 46 | Q | D | -0.8162 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | A | D | 0.0000 | |
| 50 | T | D | 0.0000 | |
| 51 | I | D | 0.0000 | |
| 52 | S | D | 0.0000 | |
| 53 | Y | D | 0.6423 | |
| 54 | G | D | -0.3024 | |
| 55 | G | D | -0.0296 | |
| 56 | S | D | 0.4053 | |
| 57 | Y | D | 1.3620 | |
| 58 | T | D | 0.7893 | |
| 59 | Y | D | 0.4953 | |
| 60 | Y | D | -0.8388 | |
| 61 | P | D | -1.8148 | |
| 62 | D | D | -3.0145 | |
| 63 | N | D | -2.7130 | |
| 64 | I | D | 0.0000 | |
| 65 | K | D | -2.8889 | |
| 66 | G | D | -1.9657 | |
| 67 | R | D | -1.7727 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -0.9076 | |
| 70 | I | D | 0.0000 | |
| 71 | S | D | -0.3666 | |
| 72 | R | D | -0.9139 | |
| 73 | D | D | -1.5077 | |
| 74 | N | D | -1.8474 | |
| 75 | A | D | -1.4504 | |
| 76 | K | D | -2.1721 | |
| 77 | N | D | -1.5792 | |
| 78 | T | D | 0.0000 | |
| 79 | L | D | 0.0000 | |
| 80 | Y | D | -0.5011 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.5437 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.4450 | |
| 85 | S | D | -1.2298 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -2.0730 | |
| 88 | A | D | -1.6196 | |
| 89 | E | D | -2.1263 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.6536 | |
| 92 | A | D | 0.0000 | |
| 93 | M | D | 0.1622 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | V | D | 0.0000 | |
| 98 | R | D | 0.0000 | |
| 99 | G | D | 0.0000 | |
| 100 | Y | D | 0.3813 | |
| 101 | G | D | -0.2445 | |
| 102 | Y | D | -0.0669 | |
| 103 | D | D | -1.2494 | |
| 104 | S | D | 0.0000 | |
| 105 | M | D | 0.0000 | |
| 106 | D | D | -0.5422 | |
| 107 | Y | D | 0.2265 | |
| 108 | W | D | -0.1540 | |
| 109 | G | D | 0.0000 | |
| 110 | Q | D | -1.3924 | |
| 111 | G | D | -0.5274 | |
| 112 | T | D | -0.3723 | |
| 113 | L | D | -0.2170 | |
| 114 | V | D | 0.0000 | |
| 115 | T | D | 0.0000 | |
| 116 | V | D | 0.0000 | |
| 117 | S | D | -1.0816 | |
| 118 | S | D | -0.8157 | |
| 119 | A | D | -0.4287 | |
| 120 | S | D | -0.4001 | |
| 121 | T | D | -0.1565 | |
| 122 | T | D | -0.0617 | |
| 123 | A | D | -0.4011 | |
| 124 | P | D | 0.0000 | |
| 125 | S | D | -0.0944 | |
| 126 | V | D | 0.0000 | |
| 127 | F | D | 0.0000 | |
| 128 | P | D | -0.1472 | |
| 129 | L | D | 0.0000 | |
| 130 | A | D | 0.0000 | |
| 131 | P | D | 0.0000 | |
| 132 | S | D | 0.0000 | |
| 133 | C | D | -0.3431 | |
| 134 | G | D | -0.6038 | |
| 135 | S | D | -0.4870 | |
| 136 | T | D | -0.4482 | |
| 137 | S | D | -0.6016 | |
| 138 | G | D | -0.6460 | |
| 139 | S | D | -0.5347 | |
| 140 | T | D | -0.4945 | |
| 141 | V | D | 0.0000 | |
| 142 | A | D | 0.0000 | |
| 143 | L | D | 0.0000 | |
| 144 | A | D | 0.0000 | |
| 145 | C | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | V | D | 0.0000 | |
| 148 | S | D | 0.1844 | |
| 149 | G | D | 0.1310 | |
| 150 | Y | D | 0.0000 | |
| 151 | F | D | 0.0000 | |
| 152 | P | D | 0.0000 | |
| 153 | E | D | -0.5720 | |
| 154 | P | D | -0.3178 | |
| 155 | V | D | -0.0716 | |
| 156 | T | D | -0.0949 | |
| 157 | V | D | 0.0027 | |
| 158 | S | D | -0.2796 | |
| 159 | W | D | 0.0000 | |
| 160 | N | D | -0.9477 | |
| 161 | S | D | -0.9771 | |
| 162 | G | D | -0.6842 | |
| 163 | S | D | -0.5345 | |
| 164 | L | D | -0.2593 | |
| 165 | T | D | -0.2810 | |
| 166 | S | D | -0.2370 | |
| 167 | G | D | -0.1867 | |
| 168 | V | D | 0.1373 | |
| 169 | H | D | -0.2824 | |
| 170 | T | D | 0.0191 | |
| 171 | F | D | 0.0000 | |
| 172 | P | D | -0.3375 | |
| 173 | S | D | 0.2315 | |
| 174 | V | D | 0.6084 | |
| 175 | L | D | 1.3970 | |
| 176 | Q | D | 0.3699 | |
| 177 | S | D | -0.0993 | |
| 178 | S | D | -0.1530 | |
| 179 | G | D | 0.1245 | |
| 180 | L | D | 0.4655 | |
| 181 | Y | D | 0.7263 | |
| 182 | S | D | 0.0000 | |
| 183 | L | D | 0.0000 | |
| 184 | S | D | 0.0000 | |
| 185 | S | D | 0.0000 | |
| 186 | M | D | 0.0000 | |
| 187 | V | D | 0.0000 | |
| 188 | T | D | -0.1071 | |
| 189 | V | D | 0.0000 | |
| 190 | P | D | -0.5706 | |
| 191 | S | D | -0.6814 | |
| 192 | S | D | -0.7952 | |
| 193 | R | D | -1.1290 | |
| 194 | W | D | 0.0000 | |
| 195 | P | D | -1.2079 | |
| 196 | S | D | -1.0355 | |
| 197 | E | D | -1.3365 | |
| 198 | T | D | -1.0156 | |
| 199 | F | D | 0.0000 | |
| 200 | T | D | 0.0000 | |
| 201 | C | D | 0.0000 | |
| 202 | N | D | -0.8188 | |
| 203 | V | D | 0.0000 | |
| 204 | A | D | -0.5743 | |
| 205 | H | D | 0.0000 | |
| 206 | P | D | -1.1761 | |
| 207 | A | D | -1.0414 | |
| 208 | S | D | -1.0135 | |
| 209 | K | D | -2.0239 | |
| 210 | T | D | 0.0000 | |
| 211 | K | D | -1.1859 | |
| 212 | V | D | 0.0000 | |
| 213 | D | D | -1.0810 | |
| 214 | K | D | -0.8063 | |
| 215 | P | D | -0.6912 | |
| 216 | V | D | 0.0000 | |
| 217 | P | D | -1.1348 | |
| 218 | K | D | -1.9591 | |
| 219 | R | D | -2.5073 | |
| 220 | E | D | -3.4775 | |
| 221 | N | D | -3.0662 | |
| 222 | G | D | -2.7853 | |
| 223 | R | D | -3.1933 | |
| 224 | V | D | -1.9758 | |
| 225 | P | D | -1.7879 | |
| 226 | R | D | -1.9257 | |
| 227 | P | D | -1.1763 | |
| 228 | P | D | -1.0599 | |
| 229 | D | D | -0.9628 | |
| 230 | C | D | 0.0000 | |
| 231 | P | D | 0.0000 | |
| 232 | K | D | -2.0850 | |
| 233 | C | D | 0.0000 | |
| 234 | P | D | -0.7157 | |
| 235 | A | D | -0.8168 | |
| 236 | P | D | -0.7405 | |
| 237 | E | D | -1.6693 | |
| 238 | M | D | -0.6646 | |
| 239 | L | D | -0.1094 | |
| 240 | G | D | -0.6180 | |
| 241 | G | D | -0.5978 | |
| 242 | P | D | 0.0000 | |
| 243 | S | D | -0.0090 | |
| 244 | V | D | 0.0000 | |
| 245 | F | D | 1.3785 | |
| 246 | I | D | 1.1095 | |
| 247 | F | D | 1.2485 | |
| 248 | P | D | -0.1072 | |
| 249 | P | D | 0.0000 | |
| 250 | K | D | -1.9538 | |
| 251 | P | D | -1.1230 | |
| 252 | K | D | -0.8711 | |
| 253 | D | D | -1.0248 | |
| 254 | T | D | 0.0000 | |
| 255 | L | D | -0.0896 | |
| 256 | L | D | 0.7884 | |
| 257 | I | D | 1.6133 | |
| 258 | A | D | 0.5356 | |
| 259 | R | D | -0.7258 | |
| 260 | T | D | -0.7659 | |
| 261 | P | D | 0.0000 | |
| 262 | E | D | -1.1815 | |
| 263 | V | D | 0.0000 | |
| 264 | T | D | 0.4480 | |
| 265 | C | D | 0.0000 | |
| 266 | V | D | 0.8700 | |
| 267 | V | D | 0.0000 | |
| 268 | V | D | -0.8316 | |
| 269 | D | D | -1.3238 | |
| 270 | L | D | 0.0000 | |
| 271 | D | D | -1.9297 | |
| 272 | P | D | -2.0639 | |
| 273 | E | D | -2.7690 | |
| 274 | D | D | -2.6165 | |
| 275 | P | D | 0.0000 | |
| 276 | E | D | -2.9839 | |
| 277 | V | D | -1.8607 | |
| 278 | Q | D | -1.6445 | |
| 279 | I | D | -0.7135 | |
| 280 | S | D | -0.8572 | |
| 281 | W | D | 0.0000 | |
| 282 | F | D | -1.6404 | |
| 283 | V | D | 0.0000 | |
| 284 | D | D | -2.6954 | |
| 285 | G | D | -2.2926 | |
| 286 | K | D | -2.7167 | |
| 287 | Q | D | -2.3644 | |
| 288 | M | D | -1.3605 | |
| 289 | Q | D | -1.6052 | |
| 290 | T | D | -1.1101 | |
| 291 | A | D | -1.2644 | |
| 292 | K | D | -2.0521 | |
| 293 | T | D | -1.5365 | |
| 294 | Q | D | -2.1084 | |
| 295 | P | D | -2.3264 | |
| 296 | R | D | -3.5893 | |
| 297 | E | D | -3.7048 | |
| 298 | E | D | -3.2444 | |
| 299 | Q | D | -1.4630 | |
| 300 | F | D | 0.5982 | |
| 301 | N | D | -0.8573 | |
| 302 | G | D | -1.2053 | |
| 303 | T | D | -1.8038 | |
| 304 | Y | D | -2.6133 | |
| 305 | R | D | -2.5781 | |
| 306 | V | D | 0.0000 | |
| 307 | V | D | -0.7654 | |
| 308 | S | D | 0.0000 | |
| 309 | V | D | -0.5142 | |
| 310 | L | D | 0.0000 | |
| 311 | P | D | -0.6581 | |
| 312 | I | D | 0.0000 | |
| 313 | G | D | -0.7456 | |
| 314 | H | D | -1.0246 | |
| 315 | Q | D | -1.8847 | |
| 316 | D | D | -2.3172 | |
| 317 | W | D | 0.0000 | |
| 318 | L | D | -1.3446 | |
| 319 | K | D | -2.6630 | |
| 320 | G | D | 0.0000 | |
| 321 | K | D | -2.3459 | |
| 322 | Q | D | -2.1782 | |
| 323 | F | D | 0.0000 | |
| 324 | T | D | -1.5816 | |
| 325 | C | D | 0.0000 | |
| 326 | K | D | -1.3261 | |
| 327 | V | D | 0.0000 | |
| 328 | N | D | -1.5621 | |
| 329 | N | D | 0.0000 | |
| 330 | K | D | -2.8089 | |
| 331 | A | D | -1.6263 | |
| 332 | L | D | 0.0000 | |
| 333 | P | D | -0.7656 | |
| 334 | S | D | -0.8715 | |
| 335 | P | D | -1.0915 | |
| 336 | I | D | -0.8286 | |
| 337 | E | D | -2.0985 | |
| 338 | R | D | -1.2868 | |
| 339 | T | D | -0.9029 | |
| 340 | I | D | -0.0487 | |
| 341 | S | D | -1.0322 | |
| 342 | K | D | -1.3599 | |
| 343 | A | D | -1.1756 | |
| 344 | R | D | -2.5069 | |
| 345 | G | D | -2.0331 | |
| 346 | Q | D | -2.0779 | |
| 347 | A | D | -1.6088 | |
| 348 | H | D | -1.9228 | |
| 349 | Q | D | -2.0110 | |
| 350 | P | D | 0.0000 | |
| 351 | S | D | -0.8300 | |
| 352 | V | D | 0.0000 | |
| 353 | Y | D | 0.0000 | |
| 354 | V | D | 0.0000 | |
| 355 | L | D | 0.0000 | |
| 356 | P | D | -0.3560 | |
| 357 | P | D | 0.0000 | |
| 358 | S | D | 0.0000 | |
| 359 | R | D | -2.6991 | |
| 360 | E | D | -2.8225 | |
| 361 | E | D | 0.0000 | |
| 362 | L | D | -1.7584 | |
| 363 | S | D | -1.6599 | |
| 364 | K | D | -2.0249 | |
| 365 | N | D | -2.3017 | |
| 366 | T | D | -1.8059 | |
| 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 | I | D | 0.0000 | |
| 374 | K | D | 0.0000 | |
| 375 | D | D | -1.1242 | |
| 376 | F | D | 0.0000 | |
| 377 | F | D | -0.9989 | |
| 378 | P | D | 0.0000 | |
| 379 | P | D | -0.1172 | |
| 380 | D | D | -0.6934 | |
| 381 | I | D | -0.3448 | |
| 382 | D | D | 0.0000 | |
| 383 | V | D | -0.1468 | |
| 384 | E | D | -0.9248 | |
| 385 | W | D | 0.0000 | |
| 386 | Q | D | -1.6126 | |
| 387 | S | D | 0.0000 | |
| 388 | N | D | -2.1289 | |
| 389 | G | D | -1.9266 | |
| 390 | Q | D | -2.4371 | |
| 391 | Q | D | -2.4568 | |
| 392 | E | D | 0.0000 | |
| 393 | P | D | -1.8632 | |
| 394 | E | D | -2.6206 | |
| 395 | S | D | -2.0956 | |
| 396 | K | D | -2.0658 | |
| 397 | Y | D | 0.0000 | |
| 398 | R | D | -1.5292 | |
| 399 | T | D | -0.6843 | |
| 400 | T | D | 0.0000 | |
| 401 | P | D | -0.1994 | |
| 402 | P | D | 0.0453 | |
| 403 | Q | D | -0.0525 | |
| 404 | L | D | 0.0623 | |
| 405 | D | D | -1.6200 | |
| 406 | E | D | -2.9965 | |
| 407 | D | D | -2.8063 | |
| 408 | G | D | -1.5905 | |
| 409 | S | D | 0.0000 | |
| 410 | Y | D | -0.3912 | |
| 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 | S | D | -1.0575 | |
| 418 | V | D | 0.0000 | |
| 419 | D | D | -2.6712 | |
| 420 | K | D | -2.6310 | |
| 421 | S | D | -2.2138 | |
| 422 | R | D | -2.2730 | |
| 423 | W | D | 0.0000 | |
| 424 | Q | D | -2.4957 | |
| 425 | R | D | -2.8036 | |
| 426 | G | D | -1.7747 | |
| 427 | D | D | -1.5844 | |
| 428 | T | D | -0.9317 | |
| 429 | F | D | 0.0000 | |
| 430 | I | D | -0.8688 | |
| 431 | C | D | 0.0000 | |
| 432 | A | D | 0.0000 | |
| 433 | V | D | 0.0000 | |
| 434 | M | D | 0.0000 | |
| 435 | H | D | 0.0000 | |
| 436 | E | D | -0.9149 | |
| 437 | A | D | -1.3261 | |
| 438 | L | D | 0.0000 | |
| 439 | H | D | -1.7427 | |
| 440 | N | D | -1.6536 | |
| 441 | H | D | -1.0687 | |
| 442 | Y | D | -0.4234 | |
| 443 | T | D | -0.8846 | |
| 444 | Q | D | -1.1633 | |
| 445 | E | D | -1.0859 | |
| 446 | S | D | -0.5731 | |
| 447 | L | D | -0.1653 | |
| 448 | S | D | -0.7559 | |
| 449 | H | D | -1.2026 | |
| 450 | S | D | -1.0104 | |
| 451 | P | D | -1.1278 | |
| 452 | G | D | -0.6861 |
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 | -0.613 | 3.4683 | View | CSV | PDB |
| 4.5 | -0.6621 | 3.4371 | View | CSV | PDB |
| 5.0 | -0.7216 | 3.4383 | View | CSV | PDB |
| 5.5 | -0.7798 | 3.4547 | View | CSV | PDB |
| 6.0 | -0.8245 | 3.4863 | View | CSV | PDB |
| 6.5 | -0.8463 | 3.5296 | View | CSV | PDB |
| 7.0 | -0.8446 | 3.5832 | View | CSV | PDB |
| 7.5 | -0.8263 | 3.6437 | View | CSV | PDB |
| 8.0 | -0.7984 | 3.7072 | View | CSV | PDB |
| 8.5 | -0.7637 | 3.7701 | View | CSV | PDB |
| 9.0 | -0.723 | 3.8284 | 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