| Chain sequence(s) |
A: DIQMTQSPSSLSASVGDRVTITCRTSQSLSSYTHWYQQKPGKAPKLLIYAASSRGSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: QVQLQQSGPGLVKPSQTLSLTCAISGDSVSSYNAVWNWIRQSPSRGLEWLGRTYYRSGWYNDYAESVKSRITINPDTSKNQFSLQLNSVTPEDTAVYYCARSGHITVFGVNVDAFDMWGQGTMVTVSSGSASAPTLFPLVSCENSPSDTSSVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSKDVMQGTDEHVVCKVQHPNGNKEKNVPLPVIAELPPKVSVFVPPRDGFFGNPRKSKLICQATGFSPRQIQVSWLREGKQVGSGVTTDQVQAEAKESGPTTYKVTSTLTIKESDWLSQSMFTCRVDHRGLTFQQNASSMCVPDQDTAIRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASICEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKSTGKPTLYNVSLVMSDTAGTSY B: DIQMTQSPSSLSASVGDRVTITCRTSQSLSSYTHWYQQKPGKAPKLLIYAASSRGSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: QVQLQQSGPGLVKPSQTLSLTCAISGDSVSSYNAVWNWIRQSPSRGLEWLGRTYYRSGWYNDYAESVKSRITINPDTSKNQFSLQLNSVTPEDTAVYYCARSGHITVFGVNVDAFDMWGQGTMVTVSSGSASAPTLFPLVSCENSPSDTSSVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSKDVMQGTDEHVVCKVQHPNGNKEKNVPLPVIAELPPKVSVFVPPRDGFFGNPRKSKLICQATGFSPRQIQVSWLREGKQVGSGVTTDQVQAEAKESGPTTYKVTSTLTIKESDWLSQSMFTCRVDHRGLTFQQNASSMCVPDQDTAIRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASICEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKSTGKPTLYNVSLVMSDTAGTSY 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. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:32:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b03b64df95c5e0/tmp/folded.pdb (00:32:45)
[INFO] Main: Simulation completed successfully. (00:56:12)
|
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 | -2.4038 | |
| 2 | I | A | -1.7911 | |
| 3 | Q | A | -2.2310 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.4095 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.7526 | |
| 8 | P | A | -0.5590 | |
| 9 | S | A | -0.9201 | |
| 10 | S | A | -0.8001 | |
| 11 | L | A | -0.5123 | |
| 12 | S | A | -0.8423 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | -0.5779 | |
| 15 | V | A | 0.2503 | |
| 16 | G | A | -0.7916 | |
| 17 | D | A | -1.6207 | |
| 18 | R | A | -2.2546 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -0.6197 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.8164 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.7192 | |
| 25 | T | A | 0.0000 | |
| 26 | S | A | -1.8417 | |
| 27 | Q | A | -1.8943 | |
| 28 | S | A | -0.9854 | |
| 29 | L | A | 0.1245 | |
| 30 | S | A | -0.0558 | |
| 31 | S | A | -0.2031 | |
| 32 | Y | A | 0.3413 | |
| 33 | T | A | 0.0000 | |
| 34 | H | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.9341 | |
| 40 | P | A | -1.6090 | |
| 41 | G | A | -1.6892 | |
| 42 | K | A | -2.6888 | |
| 43 | A | A | -1.7361 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.7992 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | -0.1059 | |
| 50 | A | A | 0.0442 | |
| 51 | A | A | -0.2581 | |
| 52 | S | A | -0.5825 | |
| 53 | S | A | -0.7073 | |
| 54 | R | A | -1.3748 | |
| 55 | G | A | -1.0061 | |
| 56 | S | A | -0.7494 | |
| 57 | G | A | -0.7299 | |
| 58 | V | A | -0.7454 | |
| 59 | P | A | -0.5507 | |
| 60 | S | A | -0.6311 | |
| 61 | R | A | -0.7346 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.5686 | |
| 64 | G | A | 0.0000 | |
| 65 | S | A | -0.6265 | |
| 66 | G | A | -1.0764 | |
| 67 | S | A | -1.0125 | |
| 68 | G | A | -1.0801 | |
| 69 | T | A | -1.5685 | |
| 70 | D | A | -1.8301 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.7136 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.5637 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.2953 | |
| 77 | S | A | -1.1940 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.8995 | |
| 80 | P | A | -0.7205 | |
| 81 | E | A | -1.4205 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | -0.5019 | |
| 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 | S | A | -0.8788 | |
| 92 | R | A | -2.1467 | |
| 93 | T | A | -1.4800 | |
| 94 | F | A | -0.9286 | |
| 95 | G | A | 0.0000 | |
| 96 | Q | A | -1.8280 | |
| 97 | G | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | K | A | -1.7782 | |
| 100 | V | A | 0.0000 | |
| 101 | E | A | 0.0000 | |
| 102 | I | A | -0.3238 | |
| 103 | K | A | -1.2777 | |
| 104 | R | A | -1.0646 | |
| 105 | T | A | -0.1647 | |
| 106 | V | A | 0.6614 | |
| 107 | A | A | 0.2531 | |
| 108 | A | A | 0.1705 | |
| 109 | P | A | 0.0000 | |
| 110 | S | A | -0.2671 | |
| 111 | V | A | 0.0000 | |
| 112 | F | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | P | A | -0.2229 | |
| 116 | P | A | 0.0000 | |
| 117 | S | A | -1.3304 | |
| 118 | D | A | -2.6401 | |
| 119 | E | A | -2.3921 | |
| 120 | Q | A | 0.0000 | |
| 121 | L | A | -2.0937 | |
| 122 | K | A | -2.6924 | |
| 123 | S | A | -1.6685 | |
| 124 | G | A | -1.2429 | |
| 125 | T | A | -0.9696 | |
| 126 | A | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | C | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | N | A | 0.0000 | |
| 134 | N | A | -0.5675 | |
| 135 | F | A | 0.0000 | |
| 136 | Y | A | 0.0000 | |
| 137 | P | A | -0.9833 | |
| 138 | R | A | -1.5628 | |
| 139 | E | A | -2.2201 | |
| 140 | A | A | -1.1872 | |
| 141 | K | A | -1.0349 | |
| 142 | V | A | -0.2366 | |
| 143 | Q | A | 0.0000 | |
| 144 | W | A | 0.0000 | |
| 145 | K | A | -0.7409 | |
| 146 | V | A | 0.0000 | |
| 147 | D | A | -2.0001 | |
| 148 | N | A | -1.6517 | |
| 149 | A | A | -0.6474 | |
| 150 | L | A | -0.1845 | |
| 151 | Q | A | -0.7489 | |
| 152 | S | A | -0.8474 | |
| 153 | G | A | -1.2376 | |
| 154 | N | A | -1.5316 | |
| 155 | S | A | -1.2558 | |
| 156 | Q | A | -1.2166 | |
| 157 | E | A | -1.2189 | |
| 158 | S | A | -0.5599 | |
| 159 | V | A | -0.1349 | |
| 160 | T | A | 0.0000 | |
| 161 | E | A | -2.0016 | |
| 162 | Q | A | -1.5448 | |
| 163 | D | A | -1.7731 | |
| 164 | S | A | -1.6270 | |
| 165 | K | A | -2.1581 | |
| 166 | D | A | -1.5353 | |
| 167 | S | A | -1.5637 | |
| 168 | T | A | 0.0000 | |
| 169 | Y | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | T | A | -0.6306 | |
| 177 | L | A | -0.7578 | |
| 178 | S | A | -0.9653 | |
| 179 | K | A | -1.9634 | |
| 180 | A | A | -1.6831 | |
| 181 | D | A | -2.2357 | |
| 182 | Y | A | 0.0000 | |
| 183 | E | A | -2.9706 | |
| 184 | K | A | -3.2961 | |
| 185 | H | A | -2.6354 | |
| 186 | K | A | -2.6957 | |
| 187 | V | A | -1.1611 | |
| 188 | Y | A | 0.0000 | |
| 189 | A | A | -0.4666 | |
| 190 | C | A | 0.0000 | |
| 191 | E | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | T | A | 0.0000 | |
| 194 | H | A | 0.0000 | |
| 195 | Q | A | 0.0000 | |
| 196 | G | A | 0.1547 | |
| 197 | L | A | 0.1297 | |
| 198 | S | A | -0.1245 | |
| 199 | S | A | -0.0555 | |
| 200 | P | A | 0.0000 | |
| 201 | V | A | 0.2363 | |
| 202 | T | A | -0.0771 | |
| 203 | K | A | -0.3644 | |
| 204 | S | A | -0.3037 | |
| 205 | F | A | 0.0000 | |
| 206 | N | A | -1.6235 | |
| 207 | R | A | -1.8947 | |
| 208 | G | A | -1.5477 | |
| 209 | E | A | -1.8509 | |
| 210 | C | A | -0.4035 | |
| 1 | D | B | -2.4215 | |
| 2 | I | B | 0.0000 | |
| 3 | Q | B | -2.2276 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -1.4397 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.7553 | |
| 8 | P | B | -0.5804 | |
| 9 | S | B | -0.9576 | |
| 10 | S | B | -0.8523 | |
| 11 | L | B | -0.5501 | |
| 12 | S | B | -0.8547 | |
| 13 | A | B | 0.0000 | |
| 14 | S | B | -0.6480 | |
| 15 | V | B | 0.1080 | |
| 16 | G | B | -0.7769 | |
| 17 | D | B | -1.5863 | |
| 18 | R | B | -2.2440 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.6091 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.8215 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.6528 | |
| 25 | T | B | 0.0000 | |
| 26 | S | B | -1.6214 | |
| 27 | Q | B | -1.3236 | |
| 28 | S | B | -0.6996 | |
| 29 | L | B | 0.3268 | |
| 30 | S | B | 0.0417 | |
| 31 | S | B | -0.0272 | |
| 32 | Y | B | 0.3891 | |
| 33 | T | B | 0.0000 | |
| 34 | H | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | K | B | -2.0371 | |
| 40 | P | B | -1.6381 | |
| 41 | G | B | -1.6825 | |
| 42 | K | B | -2.6777 | |
| 43 | A | B | -1.7276 | |
| 44 | P | B | 0.0000 | |
| 45 | K | B | -1.8172 | |
| 46 | L | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | -0.1233 | |
| 50 | A | B | 0.0436 | |
| 51 | A | B | -0.2920 | |
| 52 | S | B | -0.6513 | |
| 53 | S | B | -0.8029 | |
| 54 | R | B | -1.5414 | |
| 55 | G | B | -1.0820 | |
| 56 | S | B | -0.7880 | |
| 57 | G | B | -0.7522 | |
| 58 | V | B | -0.7806 | |
| 59 | P | B | -0.5759 | |
| 60 | S | B | -0.6537 | |
| 61 | R | B | -0.7003 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | -0.6209 | |
| 64 | G | B | -0.5689 | |
| 65 | S | B | -0.6559 | |
| 66 | G | B | -1.0983 | |
| 67 | S | B | -1.0222 | |
| 68 | G | B | -0.9884 | |
| 69 | T | B | -1.4358 | |
| 70 | D | B | -1.8567 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -0.7280 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.5652 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -1.2492 | |
| 77 | S | B | -1.1144 | |
| 78 | L | B | 0.0000 | |
| 79 | Q | B | -0.8180 | |
| 80 | P | B | -0.8833 | |
| 81 | E | B | -1.8171 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | -0.6813 | |
| 84 | A | B | 0.0000 | |
| 85 | T | B | 0.0000 | |
| 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 | S | B | -0.8397 | |
| 92 | R | B | -2.0956 | |
| 93 | T | B | -1.4703 | |
| 94 | F | B | -0.8948 | |
| 95 | G | B | 0.0000 | |
| 96 | Q | B | -1.8220 | |
| 97 | G | B | 0.0000 | |
| 98 | T | B | 0.0000 | |
| 99 | K | B | -1.9107 | |
| 100 | V | B | 0.0000 | |
| 101 | E | B | 0.0000 | |
| 102 | I | B | -0.4771 | |
| 103 | K | B | -1.3717 | |
| 104 | R | B | -1.1310 | |
| 105 | T | B | -0.2168 | |
| 106 | V | B | 0.4117 | |
| 107 | A | B | 0.1450 | |
| 108 | A | B | 0.0747 | |
| 109 | P | B | 0.0000 | |
| 110 | S | B | -0.3024 | |
| 111 | V | B | 0.0000 | |
| 112 | F | B | 0.0000 | |
| 113 | I | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | P | B | -0.2168 | |
| 116 | P | B | 0.0000 | |
| 117 | S | B | -1.5499 | |
| 118 | D | B | -2.9580 | |
| 119 | E | B | -3.0495 | |
| 120 | Q | B | 0.0000 | |
| 121 | L | B | -2.3222 | |
| 122 | K | B | -2.9111 | |
| 123 | S | B | -1.8130 | |
| 124 | G | B | -1.3114 | |
| 125 | T | B | -1.0044 | |
| 126 | A | B | 0.0000 | |
| 127 | S | B | 0.0000 | |
| 128 | V | B | 0.0000 | |
| 129 | V | B | 0.0000 | |
| 130 | C | B | 0.0000 | |
| 131 | L | B | 0.0000 | |
| 132 | L | B | 0.0000 | |
| 133 | N | B | 0.0000 | |
| 134 | N | B | -0.6631 | |
| 135 | F | B | 0.0000 | |
| 136 | Y | B | 0.0000 | |
| 137 | P | B | -0.8334 | |
| 138 | R | B | -1.3894 | |
| 139 | E | B | -1.9870 | |
| 140 | A | B | -1.2318 | |
| 141 | K | B | -1.4085 | |
| 142 | V | B | -0.4929 | |
| 143 | Q | B | -0.3623 | |
| 144 | W | B | 0.0000 | |
| 145 | K | B | -0.7283 | |
| 146 | V | B | 0.0000 | |
| 147 | D | B | -1.8601 | |
| 148 | N | B | -1.6788 | |
| 149 | A | B | -0.6206 | |
| 150 | L | B | -0.1773 | |
| 151 | Q | B | -0.7728 | |
| 152 | S | B | -0.8728 | |
| 153 | G | B | -1.2482 | |
| 154 | N | B | -1.5531 | |
| 155 | S | B | -1.2761 | |
| 156 | Q | B | -1.1980 | |
| 157 | E | B | -1.1780 | |
| 158 | S | B | 0.0000 | |
| 159 | V | B | -0.0464 | |
| 160 | T | B | -0.8502 | |
| 161 | E | B | -1.9543 | |
| 162 | Q | B | -1.5049 | |
| 163 | D | B | -1.7582 | |
| 164 | S | B | -1.5843 | |
| 165 | K | B | -2.1237 | |
| 166 | D | B | -1.4874 | |
| 167 | S | B | -1.5565 | |
| 168 | T | B | 0.0000 | |
| 169 | Y | B | -0.8820 | |
| 170 | S | B | 0.0000 | |
| 171 | L | B | 0.0000 | |
| 172 | S | B | 0.0000 | |
| 173 | S | B | 0.0000 | |
| 174 | T | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | T | B | -0.5818 | |
| 177 | L | B | -0.7478 | |
| 178 | S | B | -0.9341 | |
| 179 | K | B | -1.9238 | |
| 180 | A | B | -1.6988 | |
| 181 | D | B | -2.2081 | |
| 182 | Y | B | 0.0000 | |
| 183 | E | B | -3.1947 | |
| 184 | K | B | -3.3458 | |
| 185 | H | B | -2.5346 | |
| 186 | K | B | -2.4405 | |
| 187 | V | B | -0.8582 | |
| 188 | Y | B | 0.0000 | |
| 189 | A | B | -0.4390 | |
| 190 | C | B | 0.0000 | |
| 191 | E | B | 0.0000 | |
| 192 | V | B | 0.0000 | |
| 193 | T | B | 0.0000 | |
| 194 | H | B | 0.0000 | |
| 195 | Q | B | 0.0000 | |
| 196 | G | B | -0.0403 | |
| 197 | L | B | 0.0000 | |
| 198 | S | B | -0.2026 | |
| 199 | S | B | -0.1067 | |
| 200 | P | B | 0.0000 | |
| 201 | V | B | 0.2038 | |
| 202 | T | B | -0.0821 | |
| 203 | K | B | -0.3056 | |
| 204 | S | B | -0.2250 | |
| 205 | F | B | 0.0000 | |
| 206 | N | B | -1.3000 | |
| 207 | R | B | -1.8626 | |
| 208 | G | B | -1.6479 | |
| 209 | E | B | -2.0799 | |
| 210 | C | B | -0.4369 | |
| 1 | Q | C | -1.5416 | |
| 2 | V | C | -1.1436 | |
| 3 | Q | C | -1.5988 | |
| 4 | L | C | 0.0000 | |
| 5 | Q | C | -1.7362 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.9153 | |
| 8 | G | C | -0.6175 | |
| 9 | P | C | -0.3616 | |
| 10 | G | C | -0.1379 | |
| 11 | L | C | -0.2037 | |
| 12 | V | C | 0.0000 | |
| 13 | K | C | -1.8227 | |
| 14 | P | C | -1.5620 | |
| 15 | S | C | -1.4169 | |
| 16 | Q | C | -1.9561 | |
| 17 | T | C | -1.4798 | |
| 18 | L | C | 0.0000 | |
| 19 | S | C | -0.8376 | |
| 20 | L | C | 0.0000 | |
| 21 | T | C | -0.7634 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -1.1284 | |
| 24 | I | C | 0.0000 | |
| 25 | S | C | -1.2597 | |
| 26 | G | C | -1.2887 | |
| 27 | D | C | -1.1719 | |
| 28 | S | C | -0.7032 | |
| 29 | V | C | 0.0000 | |
| 30 | S | C | 0.0158 | |
| 31 | S | C | 0.0394 | |
| 32 | Y | C | 0.6023 | |
| 33 | N | C | -0.9813 | |
| 34 | A | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | N | C | 0.0000 | |
| 38 | W | C | 0.0000 | |
| 39 | I | C | 0.0000 | |
| 40 | R | C | 0.0000 | |
| 41 | Q | C | -0.5795 | |
| 42 | S | C | -1.0715 | |
| 43 | P | C | -1.0340 | |
| 44 | S | C | -1.6451 | |
| 45 | R | C | -2.5449 | |
| 46 | G | C | -1.5567 | |
| 47 | L | C | 0.0000 | |
| 48 | E | C | -1.2021 | |
| 49 | W | C | 0.0000 | |
| 50 | L | C | 0.0000 | |
| 51 | G | C | 0.0000 | |
| 52 | R | C | -0.6987 | |
| 53 | T | C | 0.0000 | |
| 54 | Y | C | 0.2626 | |
| 55 | Y | C | 0.7837 | |
| 56 | R | C | 0.2828 | |
| 57 | S | C | 0.1003 | |
| 58 | G | C | 0.2851 | |
| 59 | W | C | 0.5751 | |
| 60 | Y | C | 0.4336 | |
| 61 | N | C | -0.6953 | |
| 62 | D | C | -1.1901 | |
| 63 | Y | C | -1.3373 | |
| 64 | A | C | -1.7414 | |
| 65 | E | C | -2.5109 | |
| 66 | S | C | -1.5483 | |
| 67 | V | C | 0.0000 | |
| 68 | K | C | -2.3546 | |
| 69 | S | C | -1.5227 | |
| 70 | R | C | -1.5577 | |
| 71 | I | C | 0.0000 | |
| 72 | T | C | -1.2300 | |
| 73 | I | C | 0.0000 | |
| 74 | N | C | -1.5384 | |
| 75 | P | C | -1.2134 | |
| 76 | D | C | -1.5348 | |
| 77 | T | C | -1.2559 | |
| 78 | S | C | -1.3295 | |
| 79 | K | C | -2.1782 | |
| 80 | N | C | -1.6249 | |
| 81 | Q | C | -1.4676 | |
| 82 | F | C | 0.0000 | |
| 83 | S | C | -0.8413 | |
| 84 | L | C | 0.0000 | |
| 85 | Q | C | -1.1916 | |
| 86 | L | C | 0.0000 | |
| 87 | N | C | -1.6034 | |
| 88 | S | C | -1.4088 | |
| 89 | V | C | 0.0000 | |
| 90 | T | C | -1.3729 | |
| 91 | P | C | -1.4087 | |
| 92 | E | C | -2.2025 | |
| 93 | D | C | 0.0000 | |
| 94 | T | C | -0.5522 | |
| 95 | A | C | 0.0000 | |
| 96 | V | C | 0.3276 | |
| 97 | Y | C | 0.0000 | |
| 98 | Y | C | 0.0000 | |
| 99 | C | C | 0.0000 | |
| 100 | A | C | 0.0000 | |
| 101 | R | C | 0.0000 | |
| 102 | S | C | 0.0000 | |
| 103 | G | C | 0.0000 | |
| 104 | H | C | -1.0128 | |
| 105 | I | C | -0.3537 | |
| 106 | T | C | 0.5269 | |
| 107 | V | C | 1.6358 | |
| 108 | F | C | 2.3053 | |
| 109 | G | C | 1.2218 | |
| 110 | V | C | 1.8254 | |
| 111 | N | C | 0.0911 | |
| 112 | V | C | 0.0000 | |
| 113 | D | C | -0.8342 | |
| 114 | A | C | 0.0000 | |
| 115 | F | C | 0.0000 | |
| 116 | D | C | -0.6791 | |
| 117 | M | C | -0.5625 | |
| 118 | W | C | -0.9122 | |
| 119 | G | C | 0.0000 | |
| 120 | Q | C | -1.9176 | |
| 121 | G | C | -0.9842 | |
| 122 | T | C | -0.2300 | |
| 123 | M | C | 0.3313 | |
| 124 | V | C | 0.0000 | |
| 125 | T | C | 0.0000 | |
| 126 | V | C | 0.0000 | |
| 127 | S | C | 0.0000 | |
| 128 | S | C | -0.9152 | |
| 129 | G | C | -0.8514 | |
| 130 | S | C | -0.5221 | |
| 131 | A | C | -0.6334 | |
| 132 | S | C | -0.8278 | |
| 133 | A | C | -1.3606 | |
| 134 | P | C | 0.0000 | |
| 135 | T | C | -0.7617 | |
| 136 | L | C | 0.0000 | |
| 137 | F | C | 0.0000 | |
| 138 | P | C | -0.6568 | |
| 139 | L | C | 0.0000 | |
| 140 | V | C | 0.3502 | |
| 141 | S | C | 0.0911 | |
| 142 | C | C | -0.1550 | |
| 143 | E | C | -0.3785 | |
| 144 | N | C | -0.3037 | |
| 145 | S | C | 0.0000 | |
| 146 | P | C | 0.0000 | |
| 147 | S | C | -0.6991 | |
| 148 | D | C | -0.9603 | |
| 149 | T | C | -1.0755 | |
| 150 | S | C | -0.9736 | |
| 151 | S | C | -0.8358 | |
| 152 | V | C | 0.0000 | |
| 153 | A | C | 0.0000 | |
| 154 | V | C | 0.0000 | |
| 155 | G | C | 0.0000 | |
| 156 | C | C | 0.0000 | |
| 157 | L | C | 0.0000 | |
| 158 | A | C | 0.0000 | |
| 159 | Q | C | 0.0000 | |
| 160 | D | C | -1.4301 | |
| 161 | F | C | 0.0000 | |
| 162 | L | C | 0.0000 | |
| 163 | P | C | -0.6423 | |
| 164 | D | C | -0.5704 | |
| 165 | S | C | -0.6451 | |
| 166 | I | C | -0.4698 | |
| 167 | T | C | -0.5816 | |
| 168 | F | C | -0.5499 | |
| 169 | S | C | -1.0069 | |
| 170 | W | C | 0.0000 | |
| 171 | K | C | -2.1990 | |
| 172 | Y | C | -2.3873 | |
| 173 | K | C | -3.4177 | |
| 174 | N | C | -2.9528 | |
| 175 | N | C | -2.8870 | |
| 176 | S | C | -2.3200 | |
| 177 | D | C | -2.6229 | |
| 178 | I | C | 0.0000 | |
| 179 | S | C | -0.8233 | |
| 180 | S | C | -0.4907 | |
| 181 | T | C | -0.4899 | |
| 182 | R | C | -0.5011 | |
| 183 | G | C | -0.4149 | |
| 184 | F | C | 0.0000 | |
| 185 | P | C | -0.4649 | |
| 186 | S | C | -0.0703 | |
| 187 | V | C | 0.1198 | |
| 188 | L | C | 0.3393 | |
| 189 | R | C | -0.4313 | |
| 190 | G | C | -0.8071 | |
| 191 | G | C | -0.7352 | |
| 192 | K | C | -0.9242 | |
| 193 | Y | C | 0.0000 | |
| 194 | A | C | 0.0000 | |
| 195 | A | C | 0.0000 | |
| 196 | T | C | 0.0000 | |
| 197 | S | C | 0.0000 | |
| 198 | Q | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | L | C | 0.0697 | |
| 201 | L | C | 0.0000 | |
| 202 | P | C | -1.3158 | |
| 203 | S | C | 0.0000 | |
| 204 | K | C | -2.8841 | |
| 205 | D | C | -3.0545 | |
| 206 | V | C | -1.6135 | |
| 207 | M | C | -1.4228 | |
| 208 | Q | C | -2.3062 | |
| 209 | G | C | -2.1422 | |
| 210 | T | C | -1.6844 | |
| 211 | D | C | -2.3226 | |
| 212 | E | C | -2.2258 | |
| 213 | H | C | -1.8752 | |
| 214 | V | C | 0.0000 | |
| 215 | V | C | -1.9757 | |
| 216 | C | C | 0.0000 | |
| 217 | K | C | -2.2473 | |
| 218 | V | C | 0.0000 | |
| 219 | Q | C | -2.4202 | |
| 220 | H | C | 0.0000 | |
| 221 | P | C | -1.4523 | |
| 222 | N | C | -1.9945 | |
| 223 | G | C | -1.9426 | |
| 224 | N | C | -2.9774 | |
| 225 | K | C | -2.9635 | |
| 226 | E | C | -3.2671 | |
| 227 | K | C | -2.1999 | |
| 228 | N | C | -2.3474 | |
| 229 | V | C | 0.0000 | |
| 230 | P | C | -0.7967 | |
| 231 | L | C | -0.1767 | |
| 232 | P | C | 0.5741 | |
| 233 | V | C | 1.3505 | |
| 234 | I | C | 0.0000 | |
| 235 | A | C | -0.2155 | |
| 236 | E | C | -1.0722 | |
| 237 | L | C | -0.7697 | |
| 238 | P | C | -0.8017 | |
| 239 | P | C | 0.0000 | |
| 240 | K | C | -1.6665 | |
| 241 | V | C | -1.0370 | |
| 242 | S | C | -0.8334 | |
| 243 | V | C | 0.0000 | |
| 244 | F | C | 0.0000 | |
| 245 | V | C | 0.0000 | |
| 246 | P | C | 0.0000 | |
| 247 | P | C | -0.7934 | |
| 248 | R | C | -1.4233 | |
| 249 | D | C | -1.9907 | |
| 250 | G | C | -1.1448 | |
| 251 | F | C | 0.0000 | |
| 252 | F | C | 0.5162 | |
| 253 | G | C | -0.7426 | |
| 254 | N | C | -1.6980 | |
| 255 | P | C | -1.5160 | |
| 256 | R | C | -1.2874 | |
| 257 | K | C | -1.4438 | |
| 258 | S | C | 0.0000 | |
| 259 | K | C | -1.1763 | |
| 260 | L | C | 0.0000 | |
| 261 | I | C | 0.0000 | |
| 262 | C | C | 0.0000 | |
| 263 | Q | C | -0.4973 | |
| 264 | A | C | 0.0000 | |
| 265 | T | C | -0.9814 | |
| 266 | G | C | -0.7662 | |
| 267 | F | C | 0.0000 | |
| 268 | S | C | 0.0000 | |
| 269 | P | C | -1.2619 | |
| 270 | R | C | -1.7092 | |
| 271 | Q | C | -1.9785 | |
| 272 | I | C | -1.4731 | |
| 273 | Q | C | -1.6739 | |
| 274 | V | C | -0.6727 | |
| 275 | S | C | -0.7704 | |
| 276 | W | C | 0.0000 | |
| 277 | L | C | -2.1761 | |
| 278 | R | C | -2.3824 | |
| 279 | E | C | -3.0509 | |
| 280 | G | C | -2.4701 | |
| 281 | K | C | -3.1859 | |
| 282 | Q | C | -2.5524 | |
| 283 | V | C | -1.2834 | |
| 284 | G | C | -0.8396 | |
| 285 | S | C | -0.5089 | |
| 286 | G | C | -0.3906 | |
| 287 | V | C | 0.0837 | |
| 288 | T | C | -0.3460 | |
| 289 | T | C | -0.7929 | |
| 290 | D | C | -1.6701 | |
| 291 | Q | C | -1.8227 | |
| 292 | V | C | -1.5319 | |
| 293 | Q | C | -1.3749 | |
| 294 | A | C | -0.9294 | |
| 295 | E | C | -1.1250 | |
| 296 | A | C | -1.1682 | |
| 297 | K | C | -2.1261 | |
| 298 | E | C | -2.5653 | |
| 299 | S | C | -1.8949 | |
| 300 | G | C | -1.4651 | |
| 301 | P | C | -0.9568 | |
| 302 | T | C | -0.8624 | |
| 303 | T | C | 0.0000 | |
| 304 | Y | C | 0.0000 | |
| 305 | K | C | -1.3689 | |
| 306 | V | C | 0.0000 | |
| 307 | T | C | -0.7205 | |
| 308 | S | C | 0.0000 | |
| 309 | T | C | -0.3403 | |
| 310 | L | C | 0.0000 | |
| 311 | T | C | -0.7898 | |
| 312 | I | C | 0.0000 | |
| 313 | K | C | -1.6389 | |
| 314 | E | C | 0.0000 | |
| 315 | S | C | -0.9010 | |
| 316 | D | C | -0.9530 | |
| 317 | W | C | 0.0000 | |
| 318 | L | C | -0.7155 | |
| 319 | S | C | -0.6042 | |
| 320 | Q | C | -1.0625 | |
| 321 | S | C | 0.0000 | |
| 322 | M | C | -0.9186 | |
| 323 | F | C | 0.0000 | |
| 324 | T | C | 0.0000 | |
| 325 | C | C | 0.0000 | |
| 326 | R | C | -1.5678 | |
| 327 | V | C | 0.0000 | |
| 328 | D | C | -1.1911 | |
| 329 | H | C | 0.0000 | |
| 330 | R | C | -2.2723 | |
| 331 | G | C | -0.7876 | |
| 332 | L | C | 0.3426 | |
| 333 | T | C | -0.3756 | |
| 334 | F | C | -0.5403 | |
| 335 | Q | C | -1.6311 | |
| 336 | Q | C | -1.5731 | |
| 337 | N | C | -1.9514 | |
| 338 | A | C | 0.0000 | |
| 339 | S | C | -0.2805 | |
| 340 | S | C | -0.0749 | |
| 341 | M | C | 0.6162 | |
| 342 | C | C | 0.0730 | |
| 343 | V | C | -0.7375 | |
| 344 | P | C | -1.0443 | |
| 345 | D | C | -2.5746 | |
| 346 | Q | C | -2.4139 | |
| 347 | D | C | -2.4229 | |
| 348 | T | C | -1.6393 | |
| 349 | A | C | -1.7882 | |
| 350 | I | C | 0.0000 | |
| 351 | R | C | -1.3910 | |
| 352 | V | C | 0.0000 | |
| 353 | F | C | 0.6745 | |
| 354 | A | C | 0.7195 | |
| 355 | I | C | 1.1710 | |
| 356 | P | C | 0.2976 | |
| 357 | P | C | -0.2064 | |
| 358 | S | C | -0.1849 | |
| 359 | F | C | 0.0000 | |
| 360 | A | C | 0.1407 | |
| 361 | S | C | -0.0389 | |
| 362 | I | C | 0.0000 | |
| 363 | F | C | 0.1987 | |
| 364 | L | C | 0.8922 | |
| 365 | T | C | -0.3228 | |
| 366 | K | C | -1.4468 | |
| 367 | S | C | -0.8456 | |
| 368 | T | C | 0.0000 | |
| 369 | K | C | -1.0104 | |
| 370 | L | C | 0.0000 | |
| 371 | T | C | 0.1928 | |
| 372 | C | C | 0.0000 | |
| 373 | L | C | 0.7681 | |
| 374 | V | C | 0.0000 | |
| 375 | T | C | -0.2290 | |
| 376 | D | C | -0.9668 | |
| 377 | L | C | 0.0000 | |
| 378 | T | C | -0.4712 | |
| 379 | T | C | -0.2125 | |
| 380 | Y | C | 0.1190 | |
| 381 | D | C | -1.3433 | |
| 382 | S | C | -0.6996 | |
| 383 | V | C | -0.1188 | |
| 384 | T | C | -0.1539 | |
| 385 | I | C | 0.0000 | |
| 386 | S | C | -0.8221 | |
| 387 | W | C | 0.0000 | |
| 388 | T | C | -1.9325 | |
| 389 | R | C | -2.7890 | |
| 390 | Q | C | -3.2983 | |
| 391 | N | C | -3.0739 | |
| 392 | G | C | -2.4712 | |
| 393 | E | C | -2.9346 | |
| 394 | A | C | -1.7097 | |
| 395 | V | C | -1.3622 | |
| 396 | K | C | -2.1045 | |
| 397 | T | C | -1.5710 | |
| 398 | H | C | -1.8020 | |
| 399 | T | C | -1.1108 | |
| 400 | N | C | -1.2808 | |
| 401 | I | C | -0.2434 | |
| 402 | S | C | -0.7870 | |
| 403 | E | C | -1.9573 | |
| 404 | S | C | -1.3463 | |
| 405 | H | C | -1.4029 | |
| 406 | P | C | -1.2407 | |
| 407 | N | C | -1.5185 | |
| 408 | A | C | -1.0013 | |
| 409 | T | C | -0.7245 | |
| 410 | F | C | -0.3165 | |
| 411 | S | C | 0.0000 | |
| 412 | A | C | 0.0000 | |
| 413 | V | C | 0.1358 | |
| 414 | G | C | 0.0000 | |
| 415 | E | C | -1.1674 | |
| 416 | A | C | 0.0000 | |
| 417 | S | C | -0.8424 | |
| 418 | I | C | -0.5271 | |
| 419 | C | C | -0.4844 | |
| 420 | E | C | -1.6404 | |
| 421 | D | C | -2.3016 | |
| 422 | D | C | -1.8483 | |
| 423 | W | C | 0.0000 | |
| 424 | N | C | -1.9688 | |
| 425 | S | C | -1.8817 | |
| 426 | G | C | -1.9014 | |
| 427 | E | C | -2.2913 | |
| 428 | R | C | -2.8272 | |
| 429 | F | C | 0.0000 | |
| 430 | T | C | -1.4467 | |
| 431 | C | C | 0.0000 | |
| 432 | T | C | -0.8366 | |
| 433 | V | C | 0.0000 | |
| 434 | T | C | -0.2978 | |
| 435 | H | C | 0.0000 | |
| 436 | T | C | -0.4351 | |
| 437 | D | C | -0.7277 | |
| 438 | L | C | -0.3827 | |
| 439 | P | C | -0.5993 | |
| 440 | S | C | -0.3836 | |
| 441 | P | C | -0.5397 | |
| 442 | L | C | -0.9044 | |
| 443 | K | C | -1.8039 | |
| 444 | Q | C | -1.0170 | |
| 445 | T | C | -1.0966 | |
| 446 | I | C | -0.3992 | |
| 447 | S | C | -1.3954 | |
| 448 | R | C | -1.4346 | |
| 449 | P | C | -1.2895 | |
| 450 | K | C | -2.0807 | |
| 451 | G | C | -0.9642 | |
| 452 | V | C | -0.0778 | |
| 453 | A | C | -0.0216 | |
| 454 | L | C | 0.1473 | |
| 455 | H | C | -1.1132 | |
| 456 | R | C | -2.2390 | |
| 457 | P | C | 0.0000 | |
| 458 | D | C | -1.0438 | |
| 459 | V | C | 0.0000 | |
| 460 | Y | C | 0.0000 | |
| 461 | L | C | 0.0000 | |
| 462 | L | C | 0.0000 | |
| 463 | P | C | -0.8599 | |
| 464 | P | C | 0.0000 | |
| 465 | A | C | 0.0000 | |
| 466 | R | C | -2.2726 | |
| 467 | E | C | -1.6602 | |
| 468 | Q | C | 0.0000 | |
| 469 | L | C | -2.1254 | |
| 470 | N | C | -2.1689 | |
| 471 | L | C | -1.3614 | |
| 472 | R | C | -3.1475 | |
| 473 | E | C | -2.9712 | |
| 474 | S | C | -1.8958 | |
| 475 | A | C | 0.0000 | |
| 476 | T | C | 0.0000 | |
| 477 | I | C | 0.0000 | |
| 478 | T | C | 0.0000 | |
| 479 | C | C | 0.0000 | |
| 480 | L | C | 0.0000 | |
| 481 | V | C | 0.0000 | |
| 482 | T | C | 0.0000 | |
| 483 | G | C | 0.0000 | |
| 484 | F | C | 0.0000 | |
| 485 | S | C | 0.0000 | |
| 486 | P | C | -0.4145 | |
| 487 | A | C | -0.3465 | |
| 488 | D | C | -0.7114 | |
| 489 | V | C | -0.1070 | |
| 490 | F | C | 0.2491 | |
| 491 | V | C | 0.0000 | |
| 492 | Q | C | -0.1165 | |
| 493 | W | C | 0.0000 | |
| 494 | M | C | -1.0488 | |
| 495 | Q | C | -1.6422 | |
| 496 | R | C | -2.5688 | |
| 497 | G | C | -1.9879 | |
| 498 | Q | C | -2.0930 | |
| 499 | P | C | -1.1955 | |
| 500 | L | C | 0.0000 | |
| 501 | S | C | -1.1924 | |
| 502 | P | C | -1.3610 | |
| 503 | E | C | -2.3967 | |
| 504 | K | C | -1.8020 | |
| 505 | Y | C | -0.8759 | |
| 506 | V | C | -0.2176 | |
| 507 | T | C | 0.2049 | |
| 508 | S | C | 0.0000 | |
| 509 | A | C | 0.0603 | |
| 510 | P | C | -0.1363 | |
| 511 | M | C | 0.0193 | |
| 512 | P | C | -0.5420 | |
| 513 | E | C | -0.9435 | |
| 514 | P | C | -1.3081 | |
| 515 | Q | C | -1.5024 | |
| 516 | A | C | -0.8683 | |
| 517 | P | C | -0.9267 | |
| 518 | G | C | -0.8672 | |
| 519 | R | C | -1.1714 | |
| 520 | Y | C | -0.3517 | |
| 521 | F | C | 0.0000 | |
| 522 | A | C | 0.0000 | |
| 523 | H | C | 0.0000 | |
| 524 | S | C | 0.0000 | |
| 525 | I | C | 0.0000 | |
| 526 | L | C | 0.0000 | |
| 527 | T | C | -0.3532 | |
| 528 | V | C | 0.0000 | |
| 529 | S | C | -1.8858 | |
| 530 | E | C | -2.7383 | |
| 531 | E | C | -3.2288 | |
| 532 | E | C | -2.1515 | |
| 533 | W | C | 0.0000 | |
| 534 | N | C | -2.3640 | |
| 535 | T | C | -1.6205 | |
| 536 | G | C | -1.5769 | |
| 537 | E | C | -1.6264 | |
| 538 | T | C | -1.1771 | |
| 539 | Y | C | 0.0000 | |
| 540 | T | C | -0.3939 | |
| 541 | C | C | 0.0000 | |
| 542 | V | C | 0.0000 | |
| 543 | V | C | 0.0000 | |
| 544 | A | C | 0.0000 | |
| 545 | H | C | 0.0000 | |
| 546 | E | C | -0.9885 | |
| 547 | A | C | -1.0458 | |
| 548 | L | C | 0.0000 | |
| 549 | P | C | -1.3703 | |
| 550 | N | C | -0.8648 | |
| 551 | R | C | -1.3706 | |
| 552 | V | C | 0.0000 | |
| 553 | T | C | -0.4852 | |
| 554 | E | C | 0.1497 | |
| 555 | R | C | 0.0000 | |
| 556 | T | C | 0.0000 | |
| 557 | V | C | 0.0000 | |
| 558 | D | C | -1.5402 | |
| 559 | K | C | -2.1133 | |
| 560 | S | C | -1.3894 | |
| 561 | T | C | -1.2791 | |
| 562 | G | C | -1.5212 | |
| 563 | K | C | -2.3685 | |
| 564 | P | C | -0.9501 | |
| 565 | T | C | 0.0835 | |
| 566 | L | C | 1.1540 | |
| 567 | Y | C | 1.2130 | |
| 568 | N | C | -0.2570 | |
| 569 | V | C | 0.6407 | |
| 570 | S | C | 0.5431 | |
| 571 | L | C | 1.3035 | |
| 572 | V | C | 2.1149 | |
| 573 | M | C | 1.2974 | |
| 574 | S | C | 0.0096 | |
| 575 | D | C | -1.4229 | |
| 576 | T | C | -0.9826 | |
| 577 | A | C | -0.8853 | |
| 578 | G | C | -0.6478 | |
| 579 | T | C | -0.0211 | |
| 580 | S | C | 0.3282 | |
| 581 | Y | C | 1.1290 | |
| 1 | Q | D | -1.5376 | |
| 2 | V | D | -1.1525 | |
| 3 | Q | D | -1.5665 | |
| 4 | L | D | 0.0000 | |
| 5 | Q | D | -1.6004 | |
| 6 | Q | D | 0.0000 | |
| 7 | S | D | -0.8683 | |
| 8 | G | D | -0.6146 | |
| 9 | P | D | -0.3683 | |
| 10 | G | D | -0.1523 | |
| 11 | L | D | -0.2013 | |
| 12 | V | D | 0.0000 | |
| 13 | K | D | -1.6891 | |
| 14 | P | D | -1.4748 | |
| 15 | S | D | -1.3258 | |
| 16 | Q | D | -1.7720 | |
| 17 | T | D | -1.3293 | |
| 18 | L | D | 0.0000 | |
| 19 | S | D | -0.6857 | |
| 20 | L | D | 0.0000 | |
| 21 | T | D | -0.6735 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -1.0848 | |
| 24 | I | D | 0.0000 | |
| 25 | S | D | -1.2262 | |
| 26 | G | D | -1.2814 | |
| 27 | D | D | -1.1686 | |
| 28 | S | D | -0.6986 | |
| 29 | V | D | 0.0000 | |
| 30 | S | D | -0.0107 | |
| 31 | S | D | 0.0150 | |
| 32 | Y | D | 0.5642 | |
| 33 | N | D | -1.0091 | |
| 34 | A | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | N | D | 0.0000 | |
| 38 | W | D | 0.0000 | |
| 39 | I | D | 0.0000 | |
| 40 | R | D | 0.0000 | |
| 41 | Q | D | -0.5111 | |
| 42 | S | D | -1.0328 | |
| 43 | P | D | -1.0368 | |
| 44 | S | D | -1.6466 | |
| 45 | R | D | -2.4794 | |
| 46 | G | D | -1.4845 | |
| 47 | L | D | 0.0000 | |
| 48 | E | D | 0.0000 | |
| 49 | W | D | 0.0000 | |
| 50 | L | D | 0.0000 | |
| 51 | G | D | 0.0000 | |
| 52 | R | D | 0.0000 | |
| 53 | T | D | 0.0000 | |
| 54 | Y | D | 0.2969 | |
| 55 | Y | D | 0.6671 | |
| 56 | R | D | 0.1718 | |
| 57 | S | D | 0.0452 | |
| 58 | G | D | 0.2465 | |
| 59 | W | D | 0.5660 | |
| 60 | Y | D | 0.4300 | |
| 61 | N | D | -0.8016 | |
| 62 | D | D | -1.5354 | |
| 63 | Y | D | -1.5255 | |
| 64 | A | D | -1.8139 | |
| 65 | E | D | -2.6552 | |
| 66 | S | D | -1.5915 | |
| 67 | V | D | 0.0000 | |
| 68 | K | D | -2.6979 | |
| 69 | S | D | -1.6701 | |
| 70 | R | D | -1.6130 | |
| 71 | I | D | 0.0000 | |
| 72 | T | D | -1.1423 | |
| 73 | I | D | 0.0000 | |
| 74 | N | D | -1.2503 | |
| 75 | P | D | -1.0764 | |
| 76 | D | D | -1.4284 | |
| 77 | T | D | -1.2061 | |
| 78 | S | D | -1.3107 | |
| 79 | K | D | -2.1623 | |
| 80 | N | D | -1.6072 | |
| 81 | Q | D | -1.4143 | |
| 82 | F | D | 0.0000 | |
| 83 | S | D | -0.6878 | |
| 84 | L | D | 0.0000 | |
| 85 | Q | D | -0.8535 | |
| 86 | L | D | 0.0000 | |
| 87 | N | D | -1.5343 | |
| 88 | S | D | -1.3363 | |
| 89 | V | D | 0.0000 | |
| 90 | T | D | -1.3419 | |
| 91 | P | D | -1.3992 | |
| 92 | E | D | -2.2041 | |
| 93 | D | D | 0.0000 | |
| 94 | T | D | -0.5598 | |
| 95 | A | D | 0.0000 | |
| 96 | V | D | 0.3236 | |
| 97 | Y | D | 0.0000 | |
| 98 | Y | D | 0.0000 | |
| 99 | C | D | 0.0000 | |
| 100 | A | D | 0.0000 | |
| 101 | R | D | 0.0000 | |
| 102 | S | D | 0.0000 | |
| 103 | G | D | 0.0000 | |
| 104 | H | D | -1.0045 | |
| 105 | I | D | -0.3444 | |
| 106 | T | D | 0.5195 | |
| 107 | V | D | 1.6109 | |
| 108 | F | D | 2.2895 | |
| 109 | G | D | 1.1979 | |
| 110 | V | D | 1.8057 | |
| 111 | N | D | 0.0742 | |
| 112 | V | D | 0.0000 | |
| 113 | D | D | -0.6615 | |
| 114 | A | D | 0.0000 | |
| 115 | F | D | 0.0000 | |
| 116 | D | D | -0.7041 | |
| 117 | M | D | -0.6234 | |
| 118 | W | D | 0.0000 | |
| 119 | G | D | 0.0000 | |
| 120 | Q | D | -1.7706 | |
| 121 | G | D | -0.9277 | |
| 122 | T | D | -0.2012 | |
| 123 | M | D | 0.3138 | |
| 124 | V | D | 0.0000 | |
| 125 | T | D | 0.0000 | |
| 126 | V | D | 0.0000 | |
| 127 | S | D | 0.0000 | |
| 128 | S | D | -0.8434 | |
| 129 | G | D | -0.8611 | |
| 130 | S | D | -0.5177 | |
| 131 | A | D | -0.6494 | |
| 132 | S | D | -0.8468 | |
| 133 | A | D | -1.3638 | |
| 134 | P | D | 0.0000 | |
| 135 | T | D | -0.7727 | |
| 136 | L | D | 0.0000 | |
| 137 | F | D | 0.0000 | |
| 138 | P | D | -0.7647 | |
| 139 | L | D | 0.0000 | |
| 140 | V | D | 0.3720 | |
| 141 | S | D | 0.2952 | |
| 142 | C | D | -0.0853 | |
| 143 | E | D | -0.2440 | |
| 144 | N | D | -0.2773 | |
| 145 | S | D | 0.0000 | |
| 146 | P | D | -0.6341 | |
| 147 | S | D | -0.6358 | |
| 148 | D | D | -1.0234 | |
| 149 | T | D | -1.0856 | |
| 150 | S | D | -0.9769 | |
| 151 | S | D | -0.8198 | |
| 152 | V | D | 0.0000 | |
| 153 | A | D | 0.0000 | |
| 154 | V | D | 0.0000 | |
| 155 | G | D | 0.0000 | |
| 156 | C | D | 0.0000 | |
| 157 | L | D | 0.0000 | |
| 158 | A | D | 0.0000 | |
| 159 | Q | D | 0.0000 | |
| 160 | D | D | -1.5677 | |
| 161 | F | D | 0.0000 | |
| 162 | L | D | 0.0000 | |
| 163 | P | D | -0.6820 | |
| 164 | D | D | -0.5886 | |
| 165 | S | D | -0.6461 | |
| 166 | I | D | -0.4744 | |
| 167 | T | D | -0.5864 | |
| 168 | F | D | -0.5562 | |
| 169 | S | D | -1.0277 | |
| 170 | W | D | 0.0000 | |
| 171 | K | D | -2.2704 | |
| 172 | Y | D | -2.4282 | |
| 173 | K | D | -3.4384 | |
| 174 | N | D | -2.9687 | |
| 175 | N | D | -2.9112 | |
| 176 | S | D | -2.3446 | |
| 177 | D | D | -2.6523 | |
| 178 | I | D | 0.0000 | |
| 179 | S | D | -0.8326 | |
| 180 | S | D | -0.4897 | |
| 181 | T | D | -0.4941 | |
| 182 | R | D | -0.5197 | |
| 183 | G | D | -0.4245 | |
| 184 | F | D | 0.0000 | |
| 185 | P | D | -0.4587 | |
| 186 | S | D | -0.0470 | |
| 187 | V | D | 0.1707 | |
| 188 | L | D | 0.4042 | |
| 189 | R | D | -0.4439 | |
| 190 | G | D | -0.8156 | |
| 191 | G | D | -0.7709 | |
| 192 | K | D | -0.9870 | |
| 193 | Y | D | 0.0000 | |
| 194 | A | D | 0.0000 | |
| 195 | A | D | 0.0000 | |
| 196 | T | D | 0.0000 | |
| 197 | S | D | 0.0000 | |
| 198 | Q | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | L | D | 0.0865 | |
| 201 | L | D | 0.0000 | |
| 202 | P | D | -1.3254 | |
| 203 | S | D | -1.4698 | |
| 204 | K | D | -2.9084 | |
| 205 | D | D | -3.0721 | |
| 206 | V | D | -1.6438 | |
| 207 | M | D | -1.4422 | |
| 208 | Q | D | -2.3242 | |
| 209 | G | D | -2.1516 | |
| 210 | T | D | -1.6910 | |
| 211 | D | D | -2.3374 | |
| 212 | E | D | -2.2447 | |
| 213 | H | D | -1.8901 | |
| 214 | V | D | 0.0000 | |
| 215 | V | D | -2.0084 | |
| 216 | C | D | 0.0000 | |
| 217 | K | D | -2.2684 | |
| 218 | V | D | 0.0000 | |
| 219 | Q | D | -2.4096 | |
| 220 | H | D | 0.0000 | |
| 221 | P | D | -1.4371 | |
| 222 | N | D | -1.9578 | |
| 223 | G | D | -1.9194 | |
| 224 | N | D | -2.9588 | |
| 225 | K | D | -2.9430 | |
| 226 | E | D | -3.2757 | |
| 227 | K | D | -2.2411 | |
| 228 | N | D | -2.3761 | |
| 229 | V | D | 0.0000 | |
| 230 | P | D | -0.8100 | |
| 231 | L | D | -0.1839 | |
| 232 | P | D | 0.5829 | |
| 233 | V | D | 1.3742 | |
| 234 | I | D | 0.0000 | |
| 235 | A | D | -0.1678 | |
| 236 | E | D | -0.9111 | |
| 237 | L | D | -0.6510 | |
| 238 | P | D | -0.7491 | |
| 239 | P | D | 0.0000 | |
| 240 | K | D | -1.6908 | |
| 241 | V | D | -1.1723 | |
| 242 | S | D | -1.1391 | |
| 243 | V | D | 0.0000 | |
| 244 | F | D | 0.0000 | |
| 245 | V | D | 0.0000 | |
| 246 | P | D | 0.0000 | |
| 247 | P | D | -1.0409 | |
| 248 | R | D | -2.0978 | |
| 249 | D | D | -2.2079 | |
| 250 | G | D | -1.3256 | |
| 251 | F | D | 0.0000 | |
| 252 | F | D | 0.0214 | |
| 253 | G | D | -0.9898 | |
| 254 | N | D | -1.8042 | |
| 255 | P | D | -1.5954 | |
| 256 | R | D | -1.4794 | |
| 257 | K | D | -1.7284 | |
| 258 | S | D | 0.0000 | |
| 259 | K | D | -1.0505 | |
| 260 | L | D | 0.0000 | |
| 261 | I | D | 0.0000 | |
| 262 | C | D | 0.0000 | |
| 263 | Q | D | -0.5340 | |
| 264 | A | D | 0.0000 | |
| 265 | T | D | -0.9617 | |
| 266 | G | D | -0.6806 | |
| 267 | F | D | 0.0000 | |
| 268 | S | D | 0.0000 | |
| 269 | P | D | -1.2855 | |
| 270 | R | D | -1.7160 | |
| 271 | Q | D | -2.0603 | |
| 272 | I | D | -1.4817 | |
| 273 | Q | D | -1.6900 | |
| 274 | V | D | -0.6616 | |
| 275 | S | D | -0.7651 | |
| 276 | W | D | 0.0000 | |
| 277 | L | D | -2.2346 | |
| 278 | R | D | -2.5159 | |
| 279 | E | D | -3.1135 | |
| 280 | G | D | -2.5092 | |
| 281 | K | D | -3.2042 | |
| 282 | Q | D | -2.5724 | |
| 283 | V | D | -1.3312 | |
| 284 | G | D | -0.8701 | |
| 285 | S | D | -0.5471 | |
| 286 | G | D | -0.4335 | |
| 287 | V | D | 0.0349 | |
| 288 | T | D | -0.4994 | |
| 289 | T | D | -1.0824 | |
| 290 | D | D | -2.2380 | |
| 291 | Q | D | -2.1952 | |
| 292 | V | D | 0.0000 | |
| 293 | Q | D | -1.5814 | |
| 294 | A | D | -0.9868 | |
| 295 | E | D | -1.1811 | |
| 296 | A | D | -1.3549 | |
| 297 | K | D | -2.5791 | |
| 298 | E | D | -2.7606 | |
| 299 | S | D | -2.0764 | |
| 300 | G | D | -1.6249 | |
| 301 | P | D | -1.0522 | |
| 302 | T | D | -0.8915 | |
| 303 | T | D | 0.0000 | |
| 304 | Y | D | -0.7133 | |
| 305 | K | D | -1.4221 | |
| 306 | V | D | 0.0000 | |
| 307 | T | D | -0.9384 | |
| 308 | S | D | 0.0000 | |
| 309 | T | D | -0.3989 | |
| 310 | L | D | 0.0000 | |
| 311 | T | D | -0.7667 | |
| 312 | I | D | 0.0000 | |
| 313 | K | D | -1.5838 | |
| 314 | E | D | 0.0000 | |
| 315 | S | D | -0.8022 | |
| 316 | D | D | -0.9746 | |
| 317 | W | D | 0.0000 | |
| 318 | L | D | -0.4034 | |
| 319 | S | D | -0.4090 | |
| 320 | Q | D | -0.7171 | |
| 321 | S | D | 0.0000 | |
| 322 | M | D | -1.0651 | |
| 323 | F | D | 0.0000 | |
| 324 | T | D | 0.0000 | |
| 325 | C | D | 0.0000 | |
| 326 | R | D | -1.6427 | |
| 327 | V | D | 0.0000 | |
| 328 | D | D | -1.1441 | |
| 329 | H | D | 0.0000 | |
| 330 | R | D | -2.2371 | |
| 331 | G | D | -0.7703 | |
| 332 | L | D | 0.3731 | |
| 333 | T | D | -0.3201 | |
| 334 | F | D | -0.5671 | |
| 335 | Q | D | -1.7546 | |
| 336 | Q | D | -2.0565 | |
| 337 | N | D | -2.3757 | |
| 338 | A | D | 0.0000 | |
| 339 | S | D | -0.1806 | |
| 340 | S | D | 0.2443 | |
| 341 | M | D | 0.9960 | |
| 342 | C | D | 0.3256 | |
| 343 | V | D | -0.5392 | |
| 344 | P | D | -1.0503 | |
| 345 | D | D | -2.6415 | |
| 346 | Q | D | -2.5037 | |
| 347 | D | D | -2.4271 | |
| 348 | T | D | -1.7434 | |
| 349 | A | D | -1.8581 | |
| 350 | I | D | 0.0000 | |
| 351 | R | D | -1.4399 | |
| 352 | V | D | -0.2943 | |
| 353 | F | D | 0.7236 | |
| 354 | A | D | 0.7260 | |
| 355 | I | D | 1.0720 | |
| 356 | P | D | 0.2904 | |
| 357 | P | D | 0.0000 | |
| 358 | S | D | 0.0287 | |
| 359 | F | D | 0.0000 | |
| 360 | A | D | 0.2348 | |
| 361 | S | D | 0.1340 | |
| 362 | I | D | -0.1079 | |
| 363 | F | D | 0.3730 | |
| 364 | L | D | 1.0060 | |
| 365 | T | D | -0.1879 | |
| 366 | K | D | -1.3302 | |
| 367 | S | D | -0.6988 | |
| 368 | T | D | 0.0000 | |
| 369 | K | D | -0.8533 | |
| 370 | L | D | 0.0000 | |
| 371 | T | D | 0.0802 | |
| 372 | C | D | 0.0000 | |
| 373 | L | D | 0.7855 | |
| 374 | V | D | 0.0000 | |
| 375 | T | D | -0.2855 | |
| 376 | D | D | -0.9730 | |
| 377 | L | D | 0.0000 | |
| 378 | T | D | -0.4706 | |
| 379 | T | D | -0.2158 | |
| 380 | Y | D | 0.1252 | |
| 381 | D | D | -1.3380 | |
| 382 | S | D | -0.7046 | |
| 383 | V | D | -0.1259 | |
| 384 | T | D | -0.1549 | |
| 385 | I | D | 0.0000 | |
| 386 | S | D | -0.8800 | |
| 387 | W | D | 0.0000 | |
| 388 | T | D | -1.9501 | |
| 389 | R | D | -2.8257 | |
| 390 | Q | D | -3.3173 | |
| 391 | N | D | -3.0876 | |
| 392 | G | D | -2.4869 | |
| 393 | E | D | -2.9485 | |
| 394 | A | D | -1.7188 | |
| 395 | V | D | -1.4110 | |
| 396 | K | D | -2.1602 | |
| 397 | T | D | -1.6976 | |
| 398 | H | D | -1.9373 | |
| 399 | T | D | -1.2039 | |
| 400 | N | D | -1.3404 | |
| 401 | I | D | -0.2474 | |
| 402 | S | D | -0.7975 | |
| 403 | E | D | -1.9632 | |
| 404 | S | D | -1.3527 | |
| 405 | H | D | -1.4029 | |
| 406 | P | D | -1.2408 | |
| 407 | N | D | -1.5142 | |
| 408 | A | D | -0.9950 | |
| 409 | T | D | 0.0000 | |
| 410 | F | D | -0.3156 | |
| 411 | S | D | -0.1993 | |
| 412 | A | D | 0.0000 | |
| 413 | V | D | 0.0691 | |
| 414 | G | D | 0.0000 | |
| 415 | E | D | -1.5044 | |
| 416 | A | D | 0.0000 | |
| 417 | S | D | -0.8303 | |
| 418 | I | D | -0.5071 | |
| 419 | C | D | -0.4277 | |
| 420 | E | D | -1.5768 | |
| 421 | D | D | -2.2780 | |
| 422 | D | D | -1.8312 | |
| 423 | W | D | 0.0000 | |
| 424 | N | D | -1.8820 | |
| 425 | S | D | -1.8398 | |
| 426 | G | D | -1.8218 | |
| 427 | E | D | -2.2783 | |
| 428 | R | D | -2.8350 | |
| 429 | F | D | 0.0000 | |
| 430 | T | D | -1.4531 | |
| 431 | C | D | 0.0000 | |
| 432 | T | D | -0.8341 | |
| 433 | V | D | 0.0000 | |
| 434 | T | D | -0.3218 | |
| 435 | H | D | 0.0000 | |
| 436 | T | D | -0.4658 | |
| 437 | D | D | -0.8290 | |
| 438 | L | D | -0.4675 | |
| 439 | P | D | -0.6436 | |
| 440 | S | D | -0.4482 | |
| 441 | P | D | -0.5739 | |
| 442 | L | D | -0.9546 | |
| 443 | K | D | -1.8055 | |
| 444 | Q | D | -1.0131 | |
| 445 | T | D | -1.1027 | |
| 446 | I | D | -0.4142 | |
| 447 | S | D | -1.3916 | |
| 448 | R | D | -1.4054 | |
| 449 | P | D | -1.2561 | |
| 450 | K | D | -2.0344 | |
| 451 | G | D | -0.8736 | |
| 452 | V | D | 0.1085 | |
| 453 | A | D | 0.2219 | |
| 454 | L | D | 0.5573 | |
| 455 | H | D | -0.7156 | |
| 456 | R | D | -1.6405 | |
| 457 | P | D | 0.0000 | |
| 458 | D | D | -0.7153 | |
| 459 | V | D | 0.0000 | |
| 460 | Y | D | 0.0000 | |
| 461 | L | D | 0.0000 | |
| 462 | L | D | 0.0000 | |
| 463 | P | D | -0.9411 | |
| 464 | P | D | 0.0000 | |
| 465 | A | D | 0.0000 | |
| 466 | R | D | -2.5139 | |
| 467 | E | D | -1.8351 | |
| 468 | Q | D | 0.0000 | |
| 469 | L | D | -2.1616 | |
| 470 | N | D | -2.2011 | |
| 471 | L | D | -1.3104 | |
| 472 | R | D | -3.0726 | |
| 473 | E | D | -2.9101 | |
| 474 | S | D | -1.8341 | |
| 475 | A | D | 0.0000 | |
| 476 | T | D | 0.0000 | |
| 477 | I | D | 0.0000 | |
| 478 | T | D | 0.0000 | |
| 479 | C | D | 0.0000 | |
| 480 | L | D | 0.0000 | |
| 481 | V | D | 0.0000 | |
| 482 | T | D | -0.4146 | |
| 483 | G | D | 0.0000 | |
| 484 | F | D | 0.0000 | |
| 485 | S | D | 0.0000 | |
| 486 | P | D | -0.2835 | |
| 487 | A | D | -0.2933 | |
| 488 | D | D | -0.7018 | |
| 489 | V | D | -0.1096 | |
| 490 | F | D | 0.2594 | |
| 491 | V | D | 0.0000 | |
| 492 | Q | D | -0.1072 | |
| 493 | W | D | 0.0000 | |
| 494 | M | D | -1.0317 | |
| 495 | Q | D | -1.6271 | |
| 496 | R | D | -2.5626 | |
| 497 | G | D | -1.9833 | |
| 498 | Q | D | -2.0970 | |
| 499 | P | D | -1.2074 | |
| 500 | L | D | 0.0000 | |
| 501 | S | D | -1.1380 | |
| 502 | P | D | -1.2924 | |
| 503 | E | D | -2.2798 | |
| 504 | K | D | -1.5316 | |
| 505 | Y | D | -0.7619 | |
| 506 | V | D | -0.1977 | |
| 507 | T | D | 0.1844 | |
| 508 | S | D | 0.0000 | |
| 509 | A | D | 0.0531 | |
| 510 | P | D | -0.1362 | |
| 511 | M | D | 0.0319 | |
| 512 | P | D | -0.5324 | |
| 513 | E | D | -0.9670 | |
| 514 | P | D | -1.3676 | |
| 515 | Q | D | -1.5352 | |
| 516 | A | D | -0.8450 | |
| 517 | P | D | -0.9076 | |
| 518 | G | D | -0.7942 | |
| 519 | R | D | -1.0326 | |
| 520 | Y | D | -0.3736 | |
| 521 | F | D | 0.0000 | |
| 522 | A | D | 0.0000 | |
| 523 | H | D | 0.0000 | |
| 524 | S | D | 0.0000 | |
| 525 | I | D | 0.0000 | |
| 526 | L | D | 0.0000 | |
| 527 | T | D | 0.0000 | |
| 528 | V | D | 0.0000 | |
| 529 | S | D | -1.8217 | |
| 530 | E | D | -2.5773 | |
| 531 | E | D | -3.1418 | |
| 532 | E | D | -2.1135 | |
| 533 | W | D | 0.0000 | |
| 534 | N | D | -2.2075 | |
| 535 | T | D | -1.5456 | |
| 536 | G | D | -1.5268 | |
| 537 | E | D | -1.5992 | |
| 538 | T | D | -1.1678 | |
| 539 | Y | D | 0.0000 | |
| 540 | T | D | -0.4030 | |
| 541 | C | D | 0.0000 | |
| 542 | V | D | 0.0000 | |
| 543 | V | D | 0.0000 | |
| 544 | A | D | 0.0000 | |
| 545 | H | D | 0.0000 | |
| 546 | E | D | -0.8416 | |
| 547 | A | D | -0.8015 | |
| 548 | L | D | 0.0000 | |
| 549 | P | D | -1.4473 | |
| 550 | N | D | -1.1821 | |
| 551 | R | D | -1.3269 | |
| 552 | V | D | 0.0000 | |
| 553 | T | D | -0.3175 | |
| 554 | E | D | 0.2777 | |
| 555 | R | D | 0.0252 | |
| 556 | T | D | 0.0000 | |
| 557 | V | D | 0.0000 | |
| 558 | D | D | -1.5788 | |
| 559 | K | D | -2.1643 | |
| 560 | S | D | -1.4481 | |
| 561 | T | D | -1.4139 | |
| 562 | G | D | -1.7978 | |
| 563 | K | D | -2.4613 | |
| 564 | P | D | -1.0991 | |
| 565 | T | D | 0.0375 | |
| 566 | L | D | 1.2154 | |
| 567 | Y | D | 1.4610 | |
| 568 | N | D | 0.0563 | |
| 569 | V | D | 1.2790 | |
| 570 | S | D | 0.8985 | |
| 571 | L | D | 1.5214 | |
| 572 | V | D | 2.1789 | |
| 573 | M | D | 1.2591 | |
| 574 | S | D | 0.0347 | |
| 575 | D | D | -1.4143 | |
| 576 | T | D | -0.9848 | |
| 577 | A | D | -0.9040 | |
| 578 | G | D | -0.6547 | |
| 579 | T | D | -0.0170 | |
| 580 | S | D | 0.2702 | |
| 581 | Y | D | 1.1283 |
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 | -0.6332 | 4.7464 | View | CSV | PDB |
| 4.5 | -0.6809 | 4.7464 | View | CSV | PDB |
| 5.0 | -0.7372 | 4.7464 | View | CSV | PDB |
| 5.5 | -0.7918 | 4.7464 | View | CSV | PDB |
| 6.0 | -0.8337 | 4.7464 | View | CSV | PDB |
| 6.5 | -0.8547 | 4.7464 | View | CSV | PDB |
| 7.0 | -0.8546 | 4.7464 | View | CSV | PDB |
| 7.5 | -0.8407 | 4.7464 | View | CSV | PDB |
| 8.0 | -0.8191 | 4.7464 | View | CSV | PDB |
| 8.5 | -0.7914 | 4.7464 | View | CSV | PDB |
| 9.0 | -0.7566 | 4.7464 | 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