| 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8315ce8a58d9ca7/tmp/folded.pdb (00:20:47)
[INFO] Main: Simulation completed successfully. (00:30:39)
|
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 | -1.7821 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.5704 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.5291 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.5520 | |
| 8 | P | A | -0.5471 | |
| 9 | A | A | -0.6824 | |
| 10 | S | A | -0.7658 | |
| 11 | L | A | -0.4884 | |
| 12 | S | A | -0.7398 | |
| 13 | L | A | -1.3304 | |
| 14 | S | A | -2.2575 | |
| 15 | Q | A | -2.6399 | |
| 16 | E | A | -3.2674 | |
| 17 | E | A | -3.1283 | |
| 18 | K | A | -2.8344 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6476 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.7334 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -1.8855 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -0.9443 | |
| 27 | Q | A | -1.7155 | |
| 28 | S | A | -1.1520 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | 0.0248 | |
| 31 | F | A | 0.9992 | |
| 32 | A | A | 0.4241 | |
| 33 | G | A | -0.1098 | |
| 34 | T | A | -0.0545 | |
| 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 | -1.5191 | |
| 44 | P | A | -1.3018 | |
| 45 | G | A | -1.4852 | |
| 46 | Q | A | -1.8856 | |
| 47 | A | A | -1.2781 | |
| 48 | P | A | 0.0000 | |
| 49 | K | A | -1.3594 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | Y | A | -0.5066 | |
| 54 | Q | A | -0.5746 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | -0.8859 | |
| 57 | K | A | -1.1040 | |
| 58 | L | A | -0.2560 | |
| 59 | E | A | -0.5999 | |
| 60 | A | A | -0.3310 | |
| 61 | G | A | -0.4056 | |
| 62 | V | A | -0.2919 | |
| 63 | P | A | -0.3184 | |
| 64 | S | A | -0.4021 | |
| 65 | R | A | -0.7528 | |
| 66 | F | A | 0.0000 | |
| 67 | S | A | -0.4883 | |
| 68 | G | A | -0.5233 | |
| 69 | S | A | -0.9076 | |
| 70 | G | A | -1.1774 | |
| 71 | S | A | -1.0197 | |
| 72 | G | A | -1.0435 | |
| 73 | T | A | -1.6841 | |
| 74 | D | A | -2.2053 | |
| 75 | F | A | 0.0000 | |
| 76 | S | A | -0.7819 | |
| 77 | F | A | 0.0000 | |
| 78 | T | A | -0.5922 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | -1.6025 | |
| 81 | S | A | -2.3107 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -2.3922 | |
| 84 | P | A | -2.6057 | |
| 85 | E | A | -2.4057 | |
| 86 | D | A | 0.0000 | |
| 87 | V | A | -1.4848 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | -0.5789 | |
| 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 | -1.2493 | |
| 97 | E | A | -2.1123 | |
| 98 | Y | A | -0.8716 | |
| 99 | P | A | -1.0665 | |
| 100 | W | A | 0.0000 | |
| 101 | T | A | -0.3882 | |
| 102 | F | A | 0.0252 | |
| 103 | G | A | 0.0000 | |
| 104 | Q | A | -1.4758 | |
| 105 | G | A | -1.1977 | |
| 106 | T | A | 0.0000 | |
| 107 | K | A | -1.7577 | |
| 108 | L | A | 0.0000 | |
| 109 | E | A | -1.3372 | |
| 110 | I | A | 0.0000 | |
| 111 | K | A | -2.1445 | |
| 112 | R | A | -2.3045 | |
| 113 | N | A | -2.3149 | |
| 114 | D | A | -2.3860 | |
| 115 | A | A | -1.6920 | |
| 116 | Q | A | -1.7158 | |
| 117 | P | A | 0.0000 | |
| 118 | A | A | -0.1926 | |
| 119 | V | A | 0.0000 | |
| 120 | Y | A | 0.0229 | |
| 121 | L | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | Q | A | -0.2080 | |
| 124 | P | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | P | A | -0.3480 | |
| 127 | D | A | 0.0000 | |
| 128 | Q | A | 0.0000 | |
| 129 | L | A | -0.0377 | |
| 130 | H | A | -0.5272 | |
| 131 | T | A | -0.7564 | |
| 132 | G | A | -0.5843 | |
| 133 | S | A | -0.3747 | |
| 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 | -0.8325 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | P | A | -2.3114 | |
| 146 | K | A | -2.5748 | |
| 147 | D | A | -2.8013 | |
| 148 | I | A | -1.8041 | |
| 149 | N | A | -1.9745 | |
| 150 | V | A | -0.7645 | |
| 151 | K | A | -1.0014 | |
| 152 | W | A | 0.0000 | |
| 153 | K | A | 0.2151 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -0.4080 | |
| 156 | G | A | 0.2663 | |
| 157 | V | A | 1.6183 | |
| 158 | I | A | 1.0143 | |
| 159 | Q | A | -0.3689 | |
| 160 | D | A | -1.5744 | |
| 161 | T | A | -0.9125 | |
| 162 | G | A | -0.7010 | |
| 163 | I | A | -0.6863 | |
| 164 | Q | A | -0.6395 | |
| 165 | E | A | -1.1428 | |
| 166 | S | A | -0.6573 | |
| 167 | V | A | -0.5262 | |
| 168 | T | A | 0.0000 | |
| 169 | E | A | -2.4715 | |
| 170 | Q | A | -2.3558 | |
| 171 | D | A | -2.9596 | |
| 172 | K | A | -3.4875 | |
| 173 | D | A | -2.7980 | |
| 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 | -0.3400 | |
| 182 | L | A | 0.0000 | |
| 183 | T | A | -0.2720 | |
| 184 | M | A | -0.4353 | |
| 185 | S | A | -0.5367 | |
| 186 | S | A | 0.0000 | |
| 187 | T | A | -0.6160 | |
| 188 | E | A | -1.5464 | |
| 189 | Y | A | 0.0000 | |
| 190 | L | A | 0.2400 | |
| 191 | S | A | -0.8524 | |
| 192 | H | A | -0.8912 | |
| 193 | E | A | -0.7810 | |
| 194 | L | A | 0.0529 | |
| 195 | Y | A | 0.0000 | |
| 196 | S | A | -0.0584 | |
| 197 | C | A | 0.0000 | |
| 198 | E | A | -0.1564 | |
| 199 | I | A | 0.0000 | |
| 200 | T | A | -0.9274 | |
| 201 | H | A | 0.0000 | |
| 202 | K | A | -2.5914 | |
| 203 | S | A | -1.6196 | |
| 204 | L | A | -0.9143 | |
| 205 | P | A | -0.6832 | |
| 206 | S | A | -0.2689 | |
| 207 | T | A | -0.1507 | |
| 208 | L | A | 0.6112 | |
| 209 | I | A | 0.8941 | |
| 210 | K | A | -0.1107 | |
| 211 | S | A | -0.2435 | |
| 212 | F | A | 0.0000 | |
| 213 | Q | A | -1.2430 | |
| 214 | R | A | -0.9082 | |
| 215 | S | A | -1.2769 | |
| 216 | E | A | -1.9278 | |
| 217 | C | A | -0.6549 | |
| 1 | E | B | -1.8009 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.5321 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.4981 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.5146 | |
| 8 | P | B | -0.4487 | |
| 9 | A | B | -0.5243 | |
| 10 | S | B | -0.5454 | |
| 11 | L | B | -0.3249 | |
| 12 | S | B | -0.6460 | |
| 13 | L | B | -1.3192 | |
| 14 | S | B | -2.2615 | |
| 15 | Q | B | -2.6662 | |
| 16 | E | B | -3.2798 | |
| 17 | E | B | -3.2547 | |
| 18 | K | B | -2.8336 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.6443 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.7466 | |
| 23 | C | B | 0.0000 | |
| 24 | K | B | -1.8142 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -0.9644 | |
| 27 | Q | B | -1.7230 | |
| 28 | S | B | -1.1427 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | 0.0608 | |
| 31 | F | B | 1.0452 | |
| 32 | A | B | 0.4366 | |
| 33 | G | B | -0.1011 | |
| 34 | T | B | 0.0276 | |
| 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 | -0.9017 | |
| 43 | K | B | -1.4142 | |
| 44 | P | B | -1.0999 | |
| 45 | G | B | -1.3204 | |
| 46 | Q | B | -1.6793 | |
| 47 | A | B | -1.1925 | |
| 48 | P | B | 0.0000 | |
| 49 | K | B | -1.3244 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | Y | B | -0.6150 | |
| 54 | Q | B | -0.6557 | |
| 55 | A | B | 0.0000 | |
| 56 | S | B | -0.9295 | |
| 57 | K | B | -1.1864 | |
| 58 | L | B | -0.3291 | |
| 59 | E | B | -0.6421 | |
| 60 | A | B | -0.3505 | |
| 61 | G | B | -0.4096 | |
| 62 | V | B | -0.2941 | |
| 63 | P | B | -0.3257 | |
| 64 | S | B | -0.4154 | |
| 65 | R | B | -0.7748 | |
| 66 | F | B | 0.0000 | |
| 67 | S | B | -0.5137 | |
| 68 | G | B | -0.5449 | |
| 69 | S | B | -0.9547 | |
| 70 | G | B | -1.2485 | |
| 71 | S | B | -1.0778 | |
| 72 | G | B | -1.0888 | |
| 73 | T | B | -1.7596 | |
| 74 | D | B | -2.4212 | |
| 75 | F | B | 0.0000 | |
| 76 | S | B | -0.8183 | |
| 77 | F | B | 0.0000 | |
| 78 | T | B | -0.5998 | |
| 79 | I | B | 0.0000 | |
| 80 | S | B | -1.6210 | |
| 81 | S | B | -2.3265 | |
| 82 | L | B | 0.0000 | |
| 83 | E | B | -2.5874 | |
| 84 | P | B | -2.7869 | |
| 85 | E | B | -2.8728 | |
| 86 | D | B | 0.0000 | |
| 87 | V | B | -1.4400 | |
| 88 | A | B | 0.0000 | |
| 89 | V | B | -0.3554 | |
| 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 | -1.1938 | |
| 97 | E | B | -2.0588 | |
| 98 | Y | B | -0.8521 | |
| 99 | P | B | -1.1062 | |
| 100 | W | B | 0.0000 | |
| 101 | T | B | 0.0000 | |
| 102 | F | B | -0.0313 | |
| 103 | G | B | 0.0000 | |
| 104 | Q | B | -1.4586 | |
| 105 | G | B | 0.0000 | |
| 106 | T | B | 0.0000 | |
| 107 | K | B | -1.1082 | |
| 108 | L | B | 0.0000 | |
| 109 | E | B | -1.0750 | |
| 110 | I | B | 0.0000 | |
| 111 | K | B | -2.2196 | |
| 112 | R | B | -2.2327 | |
| 113 | N | B | -2.2982 | |
| 114 | D | B | -2.3521 | |
| 115 | A | B | -1.6725 | |
| 116 | Q | B | -1.7037 | |
| 117 | P | B | 0.0000 | |
| 118 | A | B | -0.1890 | |
| 119 | V | B | 0.0000 | |
| 120 | Y | B | 0.0139 | |
| 121 | L | B | 0.0000 | |
| 122 | F | B | 0.0000 | |
| 123 | Q | B | 0.0000 | |
| 124 | P | B | 0.0000 | |
| 125 | S | B | 0.0000 | |
| 126 | P | B | -0.3282 | |
| 127 | D | B | 0.0000 | |
| 128 | Q | B | 0.0000 | |
| 129 | L | B | -0.0415 | |
| 130 | H | B | -0.5657 | |
| 131 | T | B | -0.7610 | |
| 132 | G | B | -0.5567 | |
| 133 | S | B | -0.3257 | |
| 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 | 0.0000 | |
| 142 | S | B | -0.7461 | |
| 143 | F | B | 0.0000 | |
| 144 | Y | B | 0.0000 | |
| 145 | P | B | -2.2578 | |
| 146 | K | B | -2.3678 | |
| 147 | D | B | -2.7649 | |
| 148 | I | B | -1.7990 | |
| 149 | N | B | -2.0129 | |
| 150 | V | B | -0.8447 | |
| 151 | K | B | -1.1642 | |
| 152 | W | B | 0.0000 | |
| 153 | K | B | 0.1425 | |
| 154 | V | B | 0.0000 | |
| 155 | D | B | -0.3287 | |
| 156 | G | B | 0.2747 | |
| 157 | V | B | 1.5764 | |
| 158 | I | B | 0.8484 | |
| 159 | Q | B | -0.4452 | |
| 160 | D | B | -1.6202 | |
| 161 | T | B | -0.9331 | |
| 162 | G | B | -0.7004 | |
| 163 | I | B | -0.7314 | |
| 164 | Q | B | -0.7062 | |
| 165 | E | B | -1.2725 | |
| 166 | S | B | -0.6413 | |
| 167 | V | B | -0.3252 | |
| 168 | T | B | -0.6515 | |
| 169 | E | B | -1.5879 | |
| 170 | Q | B | 0.0000 | |
| 171 | D | B | -2.6604 | |
| 172 | K | B | -3.3367 | |
| 173 | D | B | -2.4479 | |
| 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 | -0.3802 | |
| 182 | L | B | 0.0000 | |
| 183 | T | B | -0.2733 | |
| 184 | M | B | -0.4242 | |
| 185 | S | B | -0.5467 | |
| 186 | S | B | 0.0000 | |
| 187 | T | B | -0.6294 | |
| 188 | E | B | -1.5704 | |
| 189 | Y | B | 0.0000 | |
| 190 | L | B | 0.1590 | |
| 191 | S | B | -1.0281 | |
| 192 | H | B | -0.8760 | |
| 193 | E | B | -0.7298 | |
| 194 | L | B | 0.1809 | |
| 195 | Y | B | 0.0000 | |
| 196 | S | B | -0.0645 | |
| 197 | C | B | 0.0000 | |
| 198 | E | B | -0.2373 | |
| 199 | I | B | 0.0000 | |
| 200 | T | B | -0.9392 | |
| 201 | H | B | 0.0000 | |
| 202 | K | B | -2.5752 | |
| 203 | S | B | -1.6084 | |
| 204 | L | B | -0.8870 | |
| 205 | P | B | -0.6698 | |
| 206 | S | B | -0.2388 | |
| 207 | T | B | -0.1311 | |
| 208 | L | B | 0.6765 | |
| 209 | I | B | 0.9658 | |
| 210 | K | B | -0.0977 | |
| 211 | S | B | -0.1914 | |
| 212 | F | B | 0.0000 | |
| 213 | Q | B | -1.1213 | |
| 214 | R | B | -0.8521 | |
| 215 | S | B | -1.3245 | |
| 216 | E | B | -1.9257 | |
| 217 | C | B | -0.6352 | |
| 1 | E | C | -2.0599 | |
| 2 | V | C | -1.0941 | |
| 3 | Q | C | -0.8638 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 1.3057 | |
| 6 | E | C | 0.3133 | |
| 7 | S | C | -0.4807 | |
| 8 | G | C | -1.2201 | |
| 9 | G | C | -1.1023 | |
| 10 | D | C | -1.4234 | |
| 11 | L | C | -0.8043 | |
| 12 | V | C | -1.2328 | |
| 13 | K | C | -2.1270 | |
| 14 | P | C | -1.9908 | |
| 15 | G | C | -1.5871 | |
| 16 | G | C | -1.3343 | |
| 17 | S | C | -1.4344 | |
| 18 | L | C | -1.4680 | |
| 19 | R | C | -2.2480 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.2317 | |
| 22 | C | C | 0.0000 | |
| 23 | V | C | 0.7547 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -0.5211 | |
| 26 | G | C | -1.2046 | |
| 27 | F | C | -0.7145 | |
| 28 | T | C | -0.7117 | |
| 29 | F | C | 0.0000 | |
| 30 | H | C | -1.6174 | |
| 31 | N | C | -1.2070 | |
| 32 | Y | C | 0.0836 | |
| 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 | -1.1368 | |
| 41 | P | C | -0.9644 | |
| 42 | G | C | -1.4385 | |
| 43 | K | C | -2.3414 | |
| 44 | G | C | -1.5344 | |
| 45 | L | C | 0.0000 | |
| 46 | Q | C | -0.7228 | |
| 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 | 0.6102 | |
| 54 | G | C | -0.3031 | |
| 55 | G | C | -0.0150 | |
| 56 | S | C | 0.3873 | |
| 57 | Y | C | 1.3499 | |
| 58 | T | C | 0.7800 | |
| 59 | Y | C | 0.4670 | |
| 60 | Y | C | -0.7539 | |
| 61 | P | C | 0.0000 | |
| 62 | D | C | -2.9283 | |
| 63 | N | C | -2.5874 | |
| 64 | I | C | 0.0000 | |
| 65 | K | C | -2.7921 | |
| 66 | G | C | -1.9159 | |
| 67 | R | C | -1.6661 | |
| 68 | F | C | 0.0000 | |
| 69 | T | C | -0.8199 | |
| 70 | I | C | 0.0000 | |
| 71 | S | C | -0.3121 | |
| 72 | R | C | -0.8125 | |
| 73 | D | C | -1.4527 | |
| 74 | N | C | -1.7809 | |
| 75 | A | C | -1.4083 | |
| 76 | K | C | -2.1243 | |
| 77 | N | C | -1.4903 | |
| 78 | T | C | 0.0000 | |
| 79 | L | C | 0.0000 | |
| 80 | Y | C | -0.4558 | |
| 81 | L | C | 0.0000 | |
| 82 | Q | C | -1.2697 | |
| 83 | M | C | 0.0000 | |
| 84 | N | C | -1.5834 | |
| 85 | S | C | -1.4160 | |
| 86 | L | C | 0.0000 | |
| 87 | R | C | -2.5429 | |
| 88 | A | C | -1.8404 | |
| 89 | E | C | -2.2760 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.7489 | |
| 92 | A | C | 0.0000 | |
| 93 | M | C | 0.1064 | |
| 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 | 0.3404 | |
| 101 | G | C | -0.3630 | |
| 102 | Y | C | -0.3149 | |
| 103 | D | C | -1.2115 | |
| 104 | S | C | 0.0000 | |
| 105 | M | C | 0.0000 | |
| 106 | D | C | -0.4759 | |
| 107 | Y | C | 0.0824 | |
| 108 | W | C | -0.2087 | |
| 109 | G | C | 0.0000 | |
| 110 | Q | C | -1.2087 | |
| 111 | G | C | -0.5018 | |
| 112 | T | C | -0.3320 | |
| 113 | L | C | -0.2127 | |
| 114 | V | C | 0.0000 | |
| 115 | T | C | 0.0000 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | -1.1708 | |
| 118 | S | C | -0.8292 | |
| 119 | A | C | -0.4326 | |
| 120 | S | C | -0.4035 | |
| 121 | T | C | -0.2634 | |
| 122 | T | C | -0.0614 | |
| 123 | A | C | -0.4379 | |
| 124 | P | C | 0.0000 | |
| 125 | S | C | -0.1863 | |
| 126 | V | C | 0.0000 | |
| 127 | F | C | 0.0000 | |
| 128 | P | C | -0.1003 | |
| 129 | L | C | 0.0000 | |
| 130 | A | C | -0.2525 | |
| 131 | P | C | 0.0000 | |
| 132 | S | C | 0.0000 | |
| 133 | C | C | -0.4743 | |
| 134 | G | C | -0.6454 | |
| 135 | S | C | -0.5757 | |
| 136 | T | C | -0.5193 | |
| 137 | S | C | -0.6027 | |
| 138 | G | C | -0.7008 | |
| 139 | S | C | -0.5597 | |
| 140 | T | C | -0.5128 | |
| 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 | -0.0323 | |
| 149 | G | C | 0.0957 | |
| 150 | Y | C | 0.0000 | |
| 151 | F | C | 0.0000 | |
| 152 | P | C | 0.0000 | |
| 153 | E | C | -0.4904 | |
| 154 | P | C | -0.2873 | |
| 155 | V | C | -0.0694 | |
| 156 | T | C | -0.0803 | |
| 157 | V | C | 0.0237 | |
| 158 | S | C | -0.2421 | |
| 159 | W | C | 0.0000 | |
| 160 | N | C | -0.8946 | |
| 161 | S | C | -0.9626 | |
| 162 | G | C | -0.6633 | |
| 163 | S | C | -0.5327 | |
| 164 | L | C | -0.2638 | |
| 165 | T | C | -0.2855 | |
| 166 | S | C | -0.2458 | |
| 167 | G | C | -0.1925 | |
| 168 | V | C | 0.1316 | |
| 169 | H | C | -0.3235 | |
| 170 | T | C | 0.0290 | |
| 171 | F | C | 0.0000 | |
| 172 | P | C | -0.4163 | |
| 173 | S | C | 0.2349 | |
| 174 | V | C | 0.5762 | |
| 175 | L | C | 1.3267 | |
| 176 | Q | C | 0.2165 | |
| 177 | S | C | -0.1773 | |
| 178 | S | C | -0.2049 | |
| 179 | G | C | 0.0627 | |
| 180 | L | C | 0.4076 | |
| 181 | Y | C | 0.6647 | |
| 182 | S | C | 0.3459 | |
| 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 | -0.1071 | |
| 189 | V | C | 0.0000 | |
| 190 | P | C | -0.5861 | |
| 191 | S | C | -0.6969 | |
| 192 | S | C | -0.8133 | |
| 193 | R | C | -1.1736 | |
| 194 | W | C | 0.0000 | |
| 195 | P | C | -1.2587 | |
| 196 | S | C | -1.0299 | |
| 197 | E | C | -1.3521 | |
| 198 | T | C | -1.0070 | |
| 199 | F | C | 0.0000 | |
| 200 | T | C | 0.0000 | |
| 201 | C | C | 0.0000 | |
| 202 | N | C | 0.0000 | |
| 203 | V | C | 0.0000 | |
| 204 | A | C | -0.6332 | |
| 205 | H | C | 0.0000 | |
| 206 | P | C | -1.1808 | |
| 207 | A | C | -0.9561 | |
| 208 | S | C | -1.1467 | |
| 209 | K | C | -2.0993 | |
| 210 | T | C | -1.3576 | |
| 211 | K | C | -1.3415 | |
| 212 | V | C | 0.0000 | |
| 213 | D | C | -1.1000 | |
| 214 | K | C | 0.0000 | |
| 215 | P | C | -0.6287 | |
| 216 | V | C | 0.0000 | |
| 217 | P | C | 0.0000 | |
| 218 | K | C | -2.0710 | |
| 219 | R | C | -2.8697 | |
| 220 | E | C | -3.6143 | |
| 221 | N | C | -3.2089 | |
| 222 | G | C | -2.7460 | |
| 223 | R | C | -3.2636 | |
| 224 | V | C | -1.8973 | |
| 225 | P | C | -1.4343 | |
| 226 | R | C | -1.3006 | |
| 227 | P | C | -0.7869 | |
| 228 | P | C | -0.7252 | |
| 229 | D | C | -0.6270 | |
| 230 | C | C | 0.0000 | |
| 231 | P | C | 0.0000 | |
| 232 | K | C | -1.9523 | |
| 233 | C | C | -0.8263 | |
| 234 | P | C | -0.3648 | |
| 235 | A | C | -0.5038 | |
| 236 | P | C | -0.3367 | |
| 237 | E | C | -1.0083 | |
| 238 | M | C | -0.0754 | |
| 239 | L | C | 0.1408 | |
| 240 | G | C | -0.5868 | |
| 241 | G | C | -0.6368 | |
| 242 | P | C | 0.0000 | |
| 243 | S | C | -0.1112 | |
| 244 | V | C | 0.0000 | |
| 245 | F | C | 0.2368 | |
| 246 | I | C | 0.0000 | |
| 247 | F | C | 0.4292 | |
| 248 | P | C | -0.2491 | |
| 249 | P | C | 0.0000 | |
| 250 | K | C | -1.9306 | |
| 251 | P | C | 0.0000 | |
| 252 | K | C | -0.9583 | |
| 253 | D | C | -1.2109 | |
| 254 | T | C | 0.0000 | |
| 255 | L | C | -0.2217 | |
| 256 | L | C | 0.5985 | |
| 257 | I | C | 1.5087 | |
| 258 | A | C | 0.4343 | |
| 259 | R | C | -0.9936 | |
| 260 | T | C | -0.7969 | |
| 261 | P | C | 0.0000 | |
| 262 | E | C | -1.1595 | |
| 263 | V | C | 0.0000 | |
| 264 | T | C | -0.0188 | |
| 265 | C | C | 0.0000 | |
| 266 | V | C | 0.0000 | |
| 267 | V | C | 0.0000 | |
| 268 | V | C | -0.6687 | |
| 269 | D | C | -1.0553 | |
| 270 | L | C | 0.0000 | |
| 271 | D | C | -2.3134 | |
| 272 | P | C | -1.9993 | |
| 273 | E | C | -2.6014 | |
| 274 | D | C | -2.4977 | |
| 275 | P | C | 0.0000 | |
| 276 | E | C | -3.0195 | |
| 277 | V | C | -1.9241 | |
| 278 | Q | C | -1.8700 | |
| 279 | I | C | -1.0169 | |
| 280 | S | C | -0.8690 | |
| 281 | W | C | 0.0000 | |
| 282 | F | C | -1.5891 | |
| 283 | V | C | 0.0000 | |
| 284 | D | C | -2.0933 | |
| 285 | G | C | -2.0119 | |
| 286 | K | C | -2.5702 | |
| 287 | Q | C | -2.2589 | |
| 288 | M | C | -1.2427 | |
| 289 | Q | C | -1.5010 | |
| 290 | T | C | -1.0294 | |
| 291 | A | C | -1.1656 | |
| 292 | K | C | -1.9118 | |
| 293 | T | C | -1.5919 | |
| 294 | Q | C | -2.1619 | |
| 295 | P | C | -2.0594 | |
| 296 | R | C | -2.9794 | |
| 297 | E | C | -2.4535 | |
| 298 | E | C | -1.5347 | |
| 299 | Q | C | -1.2119 | |
| 300 | F | C | -0.3916 | |
| 301 | N | C | -0.8033 | |
| 302 | G | C | -0.8601 | |
| 303 | T | C | -1.5284 | |
| 304 | Y | C | -2.0606 | |
| 305 | R | C | -1.8367 | |
| 306 | V | C | 0.0000 | |
| 307 | V | C | -0.9235 | |
| 308 | S | C | 0.0000 | |
| 309 | V | C | 0.0000 | |
| 310 | L | C | 0.0000 | |
| 311 | P | C | -0.5930 | |
| 312 | I | C | 0.0000 | |
| 313 | G | C | -0.5343 | |
| 314 | H | C | -0.8943 | |
| 315 | Q | C | -1.6858 | |
| 316 | D | C | -1.8434 | |
| 317 | W | C | 0.0000 | |
| 318 | L | C | -1.2519 | |
| 319 | K | C | -2.5014 | |
| 320 | G | C | -2.0210 | |
| 321 | K | C | -1.9191 | |
| 322 | Q | C | -1.6416 | |
| 323 | F | C | 0.0000 | |
| 324 | T | C | -1.1232 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -1.2019 | |
| 327 | V | C | 0.0000 | |
| 328 | N | C | -1.8248 | |
| 329 | N | C | 0.0000 | |
| 330 | K | C | -2.4774 | |
| 331 | A | C | -1.3702 | |
| 332 | L | C | -0.6851 | |
| 333 | P | C | -0.8386 | |
| 334 | S | C | -0.7115 | |
| 335 | P | C | -1.1571 | |
| 336 | I | C | 0.0000 | |
| 337 | E | C | -1.2308 | |
| 338 | R | C | -0.9017 | |
| 339 | T | C | -0.7567 | |
| 340 | I | C | 0.0000 | |
| 341 | S | C | -1.0427 | |
| 342 | K | C | -1.2848 | |
| 343 | A | C | -1.2514 | |
| 344 | R | C | -2.5236 | |
| 345 | G | C | -2.0822 | |
| 346 | Q | C | -2.0934 | |
| 347 | A | C | -1.6347 | |
| 348 | H | C | -2.0031 | |
| 349 | Q | C | -2.0884 | |
| 350 | P | C | 0.0000 | |
| 351 | S | C | -0.4500 | |
| 352 | V | C | 0.0515 | |
| 353 | Y | C | 0.7676 | |
| 354 | V | C | 0.0000 | |
| 355 | L | C | 0.6466 | |
| 356 | P | C | -0.1568 | |
| 357 | P | C | 0.0000 | |
| 358 | S | C | -1.6155 | |
| 359 | R | C | -2.8459 | |
| 360 | E | C | -3.1284 | |
| 361 | E | C | -2.4512 | |
| 362 | L | C | -2.1701 | |
| 363 | S | C | -2.1659 | |
| 364 | K | C | -2.9803 | |
| 365 | N | C | -2.7309 | |
| 366 | T | C | -2.0807 | |
| 367 | V | C | 0.0000 | |
| 368 | S | C | -0.7644 | |
| 369 | L | C | 0.0000 | |
| 370 | T | C | -0.2293 | |
| 371 | C | C | 0.0000 | |
| 372 | L | C | 0.6805 | |
| 373 | I | C | 0.0000 | |
| 374 | K | C | -0.3868 | |
| 375 | D | C | -1.1843 | |
| 376 | F | C | 0.0000 | |
| 377 | F | C | -1.0171 | |
| 378 | P | C | 0.0000 | |
| 379 | P | C | 0.0000 | |
| 380 | D | C | -0.4737 | |
| 381 | I | C | 0.0000 | |
| 382 | D | C | 0.0000 | |
| 383 | V | C | 0.0000 | |
| 384 | E | C | -1.0564 | |
| 385 | W | C | 0.0000 | |
| 386 | Q | C | -1.5925 | |
| 387 | S | C | 0.0000 | |
| 388 | N | C | -2.0544 | |
| 389 | G | C | -1.9227 | |
| 390 | Q | C | -2.4415 | |
| 391 | Q | C | -2.4587 | |
| 392 | E | C | 0.0000 | |
| 393 | P | C | -1.8309 | |
| 394 | E | C | -2.7880 | |
| 395 | S | C | -1.8645 | |
| 396 | K | C | -2.1939 | |
| 397 | Y | C | -2.3239 | |
| 398 | R | C | -2.7514 | |
| 399 | T | C | -1.2814 | |
| 400 | T | C | -0.6212 | |
| 401 | P | C | -0.4430 | |
| 402 | P | C | 0.0266 | |
| 403 | Q | C | -0.3573 | |
| 404 | L | C | -0.0355 | |
| 405 | D | C | -1.6483 | |
| 406 | E | C | -2.8305 | |
| 407 | D | C | -2.8747 | |
| 408 | G | C | -1.6940 | |
| 409 | S | C | 0.0000 | |
| 410 | Y | C | 0.0000 | |
| 411 | F | C | 0.3123 | |
| 412 | L | C | 0.0000 | |
| 413 | Y | C | 0.1926 | |
| 414 | S | C | 0.0000 | |
| 415 | K | C | -1.9171 | |
| 416 | L | C | 0.0000 | |
| 417 | S | C | -1.3692 | |
| 418 | V | C | 0.0000 | |
| 419 | D | C | -2.7550 | |
| 420 | K | C | -2.7027 | |
| 421 | S | C | -2.2558 | |
| 422 | R | C | -2.1911 | |
| 423 | W | C | 0.0000 | |
| 424 | Q | C | -2.7592 | |
| 425 | R | C | -2.8508 | |
| 426 | G | C | -1.7635 | |
| 427 | D | C | 0.0000 | |
| 428 | T | C | -0.7515 | |
| 429 | F | C | 0.0000 | |
| 430 | I | C | -0.9056 | |
| 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 | -0.9517 | |
| 437 | A | C | -1.3666 | |
| 438 | L | C | 0.0000 | |
| 439 | H | C | -1.7538 | |
| 440 | N | C | -1.6814 | |
| 441 | H | C | -1.1202 | |
| 442 | Y | C | -0.4499 | |
| 443 | T | C | -0.8776 | |
| 444 | Q | C | -1.3227 | |
| 445 | E | C | -1.1698 | |
| 446 | S | C | -0.5247 | |
| 447 | L | C | -0.0094 | |
| 448 | S | C | -0.7064 | |
| 449 | H | C | -1.3418 | |
| 450 | S | C | -1.0475 | |
| 451 | P | C | -1.1601 | |
| 452 | G | C | -0.7025 | |
| 1 | E | D | -2.0634 | |
| 2 | V | D | -1.1052 | |
| 3 | Q | D | -0.8724 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 1.2619 | |
| 6 | E | D | 0.2925 | |
| 7 | S | D | -0.5018 | |
| 8 | G | D | -1.2424 | |
| 9 | G | D | -1.1415 | |
| 10 | D | D | -1.5029 | |
| 11 | L | D | -0.8426 | |
| 12 | V | D | -1.3000 | |
| 13 | K | D | -2.1942 | |
| 14 | P | D | -2.1401 | |
| 15 | G | D | -1.6881 | |
| 16 | G | D | -1.3847 | |
| 17 | S | D | -1.4752 | |
| 18 | L | D | -1.4746 | |
| 19 | R | D | -2.2630 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.2424 | |
| 22 | C | D | 0.0000 | |
| 23 | V | D | 0.7498 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -0.5362 | |
| 26 | G | D | -1.2081 | |
| 27 | F | D | -0.7173 | |
| 28 | T | D | -0.7241 | |
| 29 | F | D | 0.0000 | |
| 30 | H | D | -1.6292 | |
| 31 | N | D | -1.2095 | |
| 32 | Y | D | 0.0887 | |
| 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 | -1.1793 | |
| 41 | P | D | -0.9676 | |
| 42 | G | D | -1.4381 | |
| 43 | K | D | -2.3649 | |
| 44 | G | D | -1.5813 | |
| 45 | L | D | 0.0000 | |
| 46 | Q | D | -1.0896 | |
| 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 | 0.6082 | |
| 54 | G | D | -0.3037 | |
| 55 | G | D | -0.0179 | |
| 56 | S | D | 0.3867 | |
| 57 | Y | D | 1.3466 | |
| 58 | T | D | 0.7486 | |
| 59 | Y | D | 0.3980 | |
| 60 | Y | D | -0.9105 | |
| 61 | P | D | -1.8821 | |
| 62 | D | D | -3.0275 | |
| 63 | N | D | -2.7171 | |
| 64 | I | D | 0.0000 | |
| 65 | K | D | -2.9008 | |
| 66 | G | D | -1.9992 | |
| 67 | R | D | -1.8002 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -0.8549 | |
| 70 | I | D | 0.0000 | |
| 71 | S | D | -0.3103 | |
| 72 | R | D | -0.9129 | |
| 73 | D | D | -1.4619 | |
| 74 | N | D | -1.8127 | |
| 75 | A | D | -1.4259 | |
| 76 | K | D | -2.1439 | |
| 77 | N | D | -1.5271 | |
| 78 | T | D | 0.0000 | |
| 79 | L | D | 0.0000 | |
| 80 | Y | D | -0.4551 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.2737 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -1.6448 | |
| 85 | S | D | -1.5395 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -2.9732 | |
| 88 | A | D | -2.0541 | |
| 89 | E | D | -2.4167 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.8359 | |
| 92 | A | D | 0.0000 | |
| 93 | M | D | 0.0895 | |
| 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 | 0.2512 | |
| 101 | G | D | -0.4287 | |
| 102 | Y | D | -0.4158 | |
| 103 | D | D | -1.4894 | |
| 104 | S | D | 0.0000 | |
| 105 | M | D | 0.0000 | |
| 106 | D | D | -0.5464 | |
| 107 | Y | D | 0.0765 | |
| 108 | W | D | -0.1876 | |
| 109 | G | D | 0.0000 | |
| 110 | Q | D | -1.1629 | |
| 111 | G | D | -0.4789 | |
| 112 | T | D | -0.3540 | |
| 113 | L | D | -0.2414 | |
| 114 | V | D | 0.0000 | |
| 115 | T | D | 0.0000 | |
| 116 | V | D | 0.0000 | |
| 117 | S | D | -1.2402 | |
| 118 | S | D | -0.8289 | |
| 119 | A | D | -0.4310 | |
| 120 | S | D | -0.4067 | |
| 121 | T | D | -0.2771 | |
| 122 | T | D | -0.0662 | |
| 123 | A | D | -0.4494 | |
| 124 | P | D | 0.0000 | |
| 125 | S | D | -0.1919 | |
| 126 | V | D | 0.0000 | |
| 127 | F | D | 0.0000 | |
| 128 | P | D | 0.0000 | |
| 129 | L | D | 0.0000 | |
| 130 | A | D | -0.2172 | |
| 131 | P | D | -0.2321 | |
| 132 | S | D | -0.2786 | |
| 133 | C | D | -0.4420 | |
| 134 | G | D | -0.6452 | |
| 135 | S | D | -0.5654 | |
| 136 | T | D | -0.5222 | |
| 137 | S | D | -0.5961 | |
| 138 | G | D | -0.6970 | |
| 139 | S | D | -0.5612 | |
| 140 | T | D | -0.5132 | |
| 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 | 0.0014 | |
| 149 | G | D | 0.1326 | |
| 150 | Y | D | 0.0000 | |
| 151 | F | D | 0.0000 | |
| 152 | P | D | 0.0000 | |
| 153 | E | D | -0.5257 | |
| 154 | P | D | -0.3039 | |
| 155 | V | D | -0.0749 | |
| 156 | T | D | -0.0822 | |
| 157 | V | D | 0.0261 | |
| 158 | S | D | -0.2729 | |
| 159 | W | D | 0.0000 | |
| 160 | N | D | -1.0157 | |
| 161 | S | D | -0.9436 | |
| 162 | G | D | -0.7122 | |
| 163 | S | D | -0.5810 | |
| 164 | L | D | -0.3030 | |
| 165 | T | D | -0.3008 | |
| 166 | S | D | -0.2386 | |
| 167 | G | D | -0.1798 | |
| 168 | V | D | 0.1384 | |
| 169 | H | D | -0.2380 | |
| 170 | T | D | 0.0165 | |
| 171 | F | D | 0.0000 | |
| 172 | P | D | -0.3676 | |
| 173 | S | D | 0.1764 | |
| 174 | V | D | 0.5836 | |
| 175 | L | D | 1.3853 | |
| 176 | Q | D | 0.3554 | |
| 177 | S | D | -0.1118 | |
| 178 | S | D | -0.1573 | |
| 179 | G | D | 0.1092 | |
| 180 | L | D | 0.4569 | |
| 181 | Y | D | 0.7062 | |
| 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 | -0.1031 | |
| 189 | V | D | 0.0000 | |
| 190 | P | D | -0.5979 | |
| 191 | S | D | -0.7126 | |
| 192 | S | D | -0.8261 | |
| 193 | R | D | -1.1929 | |
| 194 | W | D | 0.0000 | |
| 195 | P | D | -1.2685 | |
| 196 | S | D | -1.0295 | |
| 197 | E | D | -1.3269 | |
| 198 | T | D | -0.9930 | |
| 199 | F | D | 0.0000 | |
| 200 | T | D | 0.0000 | |
| 201 | C | D | 0.0000 | |
| 202 | N | D | 0.0000 | |
| 203 | V | D | 0.0000 | |
| 204 | A | D | -0.6394 | |
| 205 | H | D | 0.0000 | |
| 206 | P | D | -1.1979 | |
| 207 | A | D | -0.9810 | |
| 208 | S | D | -1.2042 | |
| 209 | K | D | -2.1056 | |
| 210 | T | D | -1.3993 | |
| 211 | K | D | -1.3775 | |
| 212 | V | D | 0.0000 | |
| 213 | D | D | -1.0820 | |
| 214 | K | D | 0.0000 | |
| 215 | P | D | -0.5575 | |
| 216 | V | D | 0.0000 | |
| 217 | P | D | -1.1234 | |
| 218 | K | D | -2.0327 | |
| 219 | R | D | -2.7849 | |
| 220 | E | D | -3.5702 | |
| 221 | N | D | -3.1800 | |
| 222 | G | D | -2.7256 | |
| 223 | R | D | -3.2455 | |
| 224 | V | D | -1.9070 | |
| 225 | P | D | -1.4446 | |
| 226 | R | D | -1.3125 | |
| 227 | P | D | -0.7596 | |
| 228 | P | D | -0.6919 | |
| 229 | D | D | -0.5994 | |
| 230 | C | D | 0.0000 | |
| 231 | P | D | 0.0000 | |
| 232 | K | D | -1.9243 | |
| 233 | C | D | -0.8057 | |
| 234 | P | D | -0.1631 | |
| 235 | A | D | -0.2176 | |
| 236 | P | D | -0.1432 | |
| 237 | E | D | -0.6836 | |
| 238 | M | D | 0.5432 | |
| 239 | L | D | 0.4165 | |
| 240 | G | D | -0.3723 | |
| 241 | G | D | -0.5297 | |
| 242 | P | D | 0.0000 | |
| 243 | S | D | -0.2523 | |
| 244 | V | D | 0.0000 | |
| 245 | F | D | 0.4185 | |
| 246 | I | D | 0.6303 | |
| 247 | F | D | 0.8564 | |
| 248 | P | D | -0.1157 | |
| 249 | P | D | 0.0000 | |
| 250 | K | D | -1.9317 | |
| 251 | P | D | 0.0000 | |
| 252 | K | D | -0.7827 | |
| 253 | D | D | -0.9469 | |
| 254 | T | D | 0.0000 | |
| 255 | L | D | -0.0557 | |
| 256 | L | D | 0.8885 | |
| 257 | I | D | 1.6825 | |
| 258 | A | D | 0.5801 | |
| 259 | R | D | -0.7593 | |
| 260 | T | D | -0.6564 | |
| 261 | P | D | 0.0000 | |
| 262 | E | D | -1.0760 | |
| 263 | V | D | 0.0000 | |
| 264 | T | D | 0.1990 | |
| 265 | C | D | 0.0000 | |
| 266 | V | D | 0.0000 | |
| 267 | V | D | 0.0000 | |
| 268 | V | D | 0.0000 | |
| 269 | D | D | -0.9495 | |
| 270 | L | D | 0.0000 | |
| 271 | D | D | -2.4286 | |
| 272 | P | D | -2.0516 | |
| 273 | E | D | -2.7621 | |
| 274 | D | D | -2.7752 | |
| 275 | P | D | 0.0000 | |
| 276 | E | D | -3.0839 | |
| 277 | V | D | -1.9289 | |
| 278 | Q | D | -1.8762 | |
| 279 | I | D | -1.0248 | |
| 280 | S | D | -0.9017 | |
| 281 | W | D | 0.0000 | |
| 282 | F | D | -1.7626 | |
| 283 | V | D | 0.0000 | |
| 284 | D | D | -2.6069 | |
| 285 | G | D | -2.2690 | |
| 286 | K | D | -2.7442 | |
| 287 | Q | D | -2.3909 | |
| 288 | M | D | -1.3780 | |
| 289 | Q | D | -1.5680 | |
| 290 | T | D | -1.0776 | |
| 291 | A | D | -1.1795 | |
| 292 | K | D | -1.8689 | |
| 293 | T | D | -1.4760 | |
| 294 | Q | D | -1.9031 | |
| 295 | P | D | -1.7745 | |
| 296 | R | D | -2.5488 | |
| 297 | E | D | -1.9702 | |
| 298 | E | D | 0.0000 | |
| 299 | Q | D | -0.6707 | |
| 300 | F | D | -0.1140 | |
| 301 | N | D | -0.4762 | |
| 302 | G | D | -0.7637 | |
| 303 | T | D | -1.3112 | |
| 304 | Y | D | 0.0000 | |
| 305 | R | D | -1.5945 | |
| 306 | V | D | 0.0000 | |
| 307 | V | D | -0.7751 | |
| 308 | S | D | 0.0000 | |
| 309 | V | D | 0.0000 | |
| 310 | L | D | 0.0000 | |
| 311 | P | D | -0.6031 | |
| 312 | I | D | 0.0000 | |
| 313 | G | D | -0.6155 | |
| 314 | H | D | -0.8293 | |
| 315 | Q | D | -1.7373 | |
| 316 | D | D | -2.0342 | |
| 317 | W | D | 0.0000 | |
| 318 | L | D | -1.2863 | |
| 319 | K | D | -2.5534 | |
| 320 | G | D | 0.0000 | |
| 321 | K | D | -2.1731 | |
| 322 | Q | D | -1.9169 | |
| 323 | F | D | 0.0000 | |
| 324 | T | D | -1.2266 | |
| 325 | C | D | 0.0000 | |
| 326 | K | D | -1.2193 | |
| 327 | V | D | 0.0000 | |
| 328 | N | D | -1.8317 | |
| 329 | N | D | 0.0000 | |
| 330 | K | D | -2.5391 | |
| 331 | A | D | -1.4552 | |
| 332 | L | D | -0.6952 | |
| 333 | P | D | -0.8630 | |
| 334 | S | D | -0.7229 | |
| 335 | P | D | -1.1701 | |
| 336 | I | D | 0.0000 | |
| 337 | E | D | -1.3241 | |
| 338 | R | D | -0.7894 | |
| 339 | T | D | -0.7698 | |
| 340 | I | D | 0.0000 | |
| 341 | S | D | -1.0871 | |
| 342 | K | D | -1.3401 | |
| 343 | A | D | -1.2936 | |
| 344 | R | D | -2.5031 | |
| 345 | G | D | -2.0738 | |
| 346 | Q | D | -2.0888 | |
| 347 | A | D | -1.6172 | |
| 348 | H | D | -2.0371 | |
| 349 | Q | D | -2.1307 | |
| 350 | P | D | 0.0000 | |
| 351 | S | D | -0.4746 | |
| 352 | V | D | 0.2538 | |
| 353 | Y | D | 1.2177 | |
| 354 | V | D | 0.0000 | |
| 355 | L | D | 0.5488 | |
| 356 | P | D | -0.3647 | |
| 357 | P | D | -1.0425 | |
| 358 | S | D | -1.7796 | |
| 359 | R | D | -2.9418 | |
| 360 | E | D | -3.2316 | |
| 361 | E | D | -2.6850 | |
| 362 | L | D | -2.3630 | |
| 363 | S | D | -2.2775 | |
| 364 | K | D | -3.0921 | |
| 365 | N | D | -2.8434 | |
| 366 | T | D | -2.1886 | |
| 367 | V | D | 0.0000 | |
| 368 | S | D | -0.7607 | |
| 369 | L | D | 0.0000 | |
| 370 | T | D | -0.0922 | |
| 371 | C | D | 0.0000 | |
| 372 | L | D | 0.8219 | |
| 373 | I | D | 0.0000 | |
| 374 | K | D | -0.5238 | |
| 375 | D | D | -1.3298 | |
| 376 | F | D | 0.0000 | |
| 377 | F | D | -1.0133 | |
| 378 | P | D | 0.0000 | |
| 379 | P | D | 0.0000 | |
| 380 | D | D | -0.4117 | |
| 381 | I | D | 0.0000 | |
| 382 | D | D | 0.0000 | |
| 383 | V | D | -0.1052 | |
| 384 | E | D | 0.0000 | |
| 385 | W | D | 0.0000 | |
| 386 | Q | D | -1.5288 | |
| 387 | S | D | 0.0000 | |
| 388 | N | D | -2.0842 | |
| 389 | G | D | -1.9144 | |
| 390 | Q | D | -2.4386 | |
| 391 | Q | D | -2.4193 | |
| 392 | E | D | 0.0000 | |
| 393 | P | D | -1.8389 | |
| 394 | E | D | -2.7782 | |
| 395 | S | D | -1.8679 | |
| 396 | K | D | -2.0991 | |
| 397 | Y | D | -2.1586 | |
| 398 | R | D | -2.5779 | |
| 399 | T | D | -1.1290 | |
| 400 | T | D | -0.5847 | |
| 401 | P | D | -0.3948 | |
| 402 | P | D | -0.0732 | |
| 403 | Q | D | -0.2685 | |
| 404 | L | D | 0.0533 | |
| 405 | D | D | -1.7065 | |
| 406 | E | D | -2.8460 | |
| 407 | D | D | -2.8853 | |
| 408 | G | D | -1.6872 | |
| 409 | S | D | 0.0000 | |
| 410 | Y | D | 0.0000 | |
| 411 | F | D | 0.2186 | |
| 412 | L | D | 0.0000 | |
| 413 | Y | D | 0.2999 | |
| 414 | S | D | 0.0000 | |
| 415 | K | D | -1.4697 | |
| 416 | L | D | 0.0000 | |
| 417 | S | D | -1.2561 | |
| 418 | V | D | 0.0000 | |
| 419 | D | D | -2.8195 | |
| 420 | K | D | -2.9903 | |
| 421 | S | D | -2.3807 | |
| 422 | R | D | -2.2692 | |
| 423 | W | D | 0.0000 | |
| 424 | Q | D | -2.8409 | |
| 425 | R | D | -2.9239 | |
| 426 | G | D | -1.8226 | |
| 427 | D | D | -1.4505 | |
| 428 | T | D | -0.8105 | |
| 429 | F | D | 0.0000 | |
| 430 | I | D | -0.8825 | |
| 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 | -0.9113 | |
| 437 | A | D | -1.3456 | |
| 438 | L | D | 0.0000 | |
| 439 | H | D | -1.7547 | |
| 440 | N | D | -1.6632 | |
| 441 | H | D | -1.0828 | |
| 442 | Y | D | -0.4795 | |
| 443 | T | D | -0.9398 | |
| 444 | Q | D | -1.2829 | |
| 445 | E | D | -1.0856 | |
| 446 | S | D | -0.4586 | |
| 447 | L | D | -0.0057 | |
| 448 | S | D | -0.7470 | |
| 449 | H | D | -1.3181 | |
| 450 | S | D | -1.0300 | |
| 451 | P | D | -1.1319 | |
| 452 | G | D | -0.6916 |
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 | -0.6703 | 2.658 | View | CSV | PDB |
| 4.5 | -0.7154 | 2.658 | View | CSV | PDB |
| 5.0 | -0.7693 | 2.658 | View | CSV | PDB |
| 5.5 | -0.821 | 2.658 | View | CSV | PDB |
| 6.0 | -0.8587 | 2.658 | View | CSV | PDB |
| 6.5 | -0.8735 | 2.658 | View | CSV | PDB |
| 7.0 | -0.8651 | 2.658 | View | CSV | PDB |
| 7.5 | -0.8406 | 2.6621 | View | CSV | PDB |
| 8.0 | -0.807 | 2.7224 | View | CSV | PDB |
| 8.5 | -0.7671 | 2.7818 | View | CSV | PDB |
| 9.0 | -0.7214 | 2.8353 | 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