| Chain sequence(s) |
A: DIQMTQSPASLSASVGDRVTISCQASQDINKYLNWYQHKPGRAPKLLIFDASTLETGVPSRFSGSGSGTHFTLTISSLQPEDIATYYCLQHDHVPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: EVQLVESGGGLVQPGGSLRLSCAASEIIVSSNYMRWVRQAPGKGLEWVSDIYPGGTTYYADSVKGRFSISRDNSKNTMYLQMSDLRAEDTAVYYCARPIMGGRHGMDVWGQGTTVTVSSGSASAPTLFPLVSCENSPSDTSSVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSKDVMQGTDEHVVCKVQHPNGNKEKNVPLPVIAELPPKVSVFVPPRDGFFGNPRKSKLICQATGFSPRQIQVSWLREGKQVGSGVTTDQVQAEAKESGPTTYKVTSTLTIKESDWLSQSMFTCRVDHRGLTFQQNASSMCVPDQDTAIRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASICEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKSTGKPTLYNVSLVMSDTAGTCY B: DIQMTQSPASLSASVGDRVTISCQASQDINKYLNWYQHKPGRAPKLLIFDASTLETGVPSRFSGSGSGTHFTLTISSLQPEDIATYYCLQHDHVPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: EVQLVESGGGLVQPGGSLRLSCAASEIIVSSNYMRWVRQAPGKGLEWVSDIYPGGTTYYADSVKGRFSISRDNSKNTMYLQMSDLRAEDTAVYYCARPIMGGRHGMDVWGQGTTVTVSSGSASAPTLFPLVSCENSPSDTSSVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSKDVMQGTDEHVVCKVQHPNGNKEKNVPLPVIAELPPKVSVFVPPRDGFFGNPRKSKLICQATGFSPRQIQVSWLREGKQVGSGVTTDQVQAEAKESGPTTYKVTSTLTIKESDWLSQSMFTCRVDHRGLTFQQNASSMCVPDQDTAIRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASICEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKSTGKPTLYNVSLVMSDTAGTCY 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. (00:00:10)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:31:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6680f2577f8afa5/tmp/folded.pdb (00:31:22)
[INFO] Main: Simulation completed successfully. (00:55:04)
|
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 | -2.4526 | |
| 2 | I | A | 0.0000 | |
| 3 | Q | A | -2.0179 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.6312 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | 0.0000 | |
| 8 | P | A | 0.0000 | |
| 9 | A | A | -0.9567 | |
| 10 | S | A | -1.0973 | |
| 11 | L | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | A | A | 0.0000 | |
| 14 | S | A | 0.0363 | |
| 15 | V | A | 0.5817 | |
| 16 | G | A | -0.3143 | |
| 17 | D | A | -0.6391 | |
| 18 | R | A | -0.7779 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | S | A | 0.0000 | |
| 23 | C | A | 0.0000 | |
| 24 | Q | A | -1.1221 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -1.8442 | |
| 27 | Q | A | -2.7161 | |
| 28 | D | A | -3.0134 | |
| 29 | I | A | 0.0000 | |
| 30 | N | A | -2.1856 | |
| 31 | K | A | -1.8863 | |
| 32 | Y | A | -0.9180 | |
| 33 | L | A | 0.0000 | |
| 34 | N | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | H | A | 0.0000 | |
| 39 | K | A | -1.7665 | |
| 40 | P | A | -1.4409 | |
| 41 | G | A | -1.8160 | |
| 42 | R | A | -2.6709 | |
| 43 | A | A | -1.6904 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.3323 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | F | A | -0.0127 | |
| 50 | D | A | -0.8467 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -0.3902 | |
| 53 | T | A | -0.0783 | |
| 54 | L | A | 0.3048 | |
| 55 | E | A | 0.0000 | |
| 56 | T | A | -0.0874 | |
| 57 | G | A | -0.3943 | |
| 58 | V | A | 0.0000 | |
| 59 | P | A | -0.3879 | |
| 60 | S | A | -0.4512 | |
| 61 | R | A | -0.6316 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.2618 | |
| 64 | G | A | 0.0000 | |
| 65 | S | A | -0.5088 | |
| 66 | G | A | -0.7749 | |
| 67 | S | A | -1.3377 | |
| 68 | G | A | -1.8456 | |
| 69 | T | A | -1.6438 | |
| 70 | H | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.2900 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -0.8275 | |
| 77 | S | A | -0.6442 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -0.9126 | |
| 80 | P | A | -1.3362 | |
| 81 | E | A | -1.8230 | |
| 82 | D | A | 0.0000 | |
| 83 | I | A | -1.3550 | |
| 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 | L | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | H | A | -0.4241 | |
| 92 | D | A | -1.2522 | |
| 93 | H | A | -1.1595 | |
| 94 | V | A | 0.0496 | |
| 95 | P | A | -0.6218 | |
| 96 | L | A | 0.0000 | |
| 97 | T | A | -0.7617 | |
| 98 | F | A | -0.3147 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | -1.1119 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -1.8165 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -0.8167 | |
| 106 | I | A | 0.0000 | |
| 107 | K | A | 0.0000 | |
| 108 | R | A | -0.5372 | |
| 109 | T | A | -0.6575 | |
| 110 | V | A | 0.0000 | |
| 111 | A | A | -0.4395 | |
| 112 | A | A | -0.1143 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.0062 | |
| 115 | V | A | 0.1296 | |
| 116 | F | A | 0.0863 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | P | A | -0.1944 | |
| 120 | P | A | 0.0000 | |
| 121 | S | A | -1.5068 | |
| 122 | D | A | -3.0093 | |
| 123 | E | A | -3.1432 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | -2.3127 | |
| 126 | K | A | -2.9152 | |
| 127 | S | A | -1.7924 | |
| 128 | G | A | -1.2300 | |
| 129 | T | A | -0.9808 | |
| 130 | A | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | N | A | -0.7625 | |
| 139 | F | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | P | A | 0.0000 | |
| 142 | R | A | -2.8340 | |
| 143 | E | A | -2.6338 | |
| 144 | A | A | -1.8574 | |
| 145 | K | A | -2.1419 | |
| 146 | V | A | -0.9865 | |
| 147 | Q | A | -0.5356 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -0.5926 | |
| 150 | V | A | 0.0000 | |
| 151 | D | A | -1.8330 | |
| 152 | N | A | -1.5237 | |
| 153 | A | A | -0.3156 | |
| 154 | L | A | 0.6291 | |
| 155 | Q | A | -0.2730 | |
| 156 | S | A | -0.5914 | |
| 157 | G | A | -1.1385 | |
| 158 | N | A | -1.3242 | |
| 159 | S | A | -1.1981 | |
| 160 | Q | A | -1.2728 | |
| 161 | E | A | -1.3864 | |
| 162 | S | A | 0.0000 | |
| 163 | V | A | -0.7730 | |
| 164 | T | A | 0.0000 | |
| 165 | E | A | -2.3315 | |
| 166 | Q | A | 0.0000 | |
| 167 | D | A | -2.3211 | |
| 168 | S | A | -2.2750 | |
| 169 | K | A | -2.5682 | |
| 170 | D | A | -1.6885 | |
| 171 | S | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -0.5720 | |
| 179 | L | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | L | A | -0.6838 | |
| 182 | S | A | -0.9185 | |
| 183 | K | A | -1.9234 | |
| 184 | A | A | -1.7047 | |
| 185 | D | A | -2.2347 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -3.2322 | |
| 188 | K | A | -3.3926 | |
| 189 | H | A | -2.6620 | |
| 190 | K | A | -2.5811 | |
| 191 | V | A | -1.4045 | |
| 192 | Y | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | C | A | 0.0000 | |
| 195 | E | A | -0.5677 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | -0.8891 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | -0.8804 | |
| 200 | G | A | -0.1508 | |
| 201 | L | A | 0.0174 | |
| 202 | S | A | -0.2277 | |
| 203 | S | A | -0.2792 | |
| 204 | P | A | -0.4776 | |
| 205 | V | A | 0.0935 | |
| 206 | T | A | -0.3148 | |
| 207 | K | A | -0.8662 | |
| 208 | S | A | -1.0745 | |
| 209 | F | A | 0.0000 | |
| 210 | N | A | -1.4359 | |
| 211 | R | A | -1.7055 | |
| 212 | G | A | -1.3249 | |
| 213 | E | A | -1.2877 | |
| 214 | C | A | -0.2489 | |
| 1 | D | B | -2.4974 | |
| 2 | I | B | 0.0000 | |
| 3 | Q | B | -2.0202 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.6171 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | 0.0000 | |
| 8 | P | B | 0.0000 | |
| 9 | A | B | -0.7826 | |
| 10 | S | B | -0.9802 | |
| 11 | L | B | 0.0000 | |
| 12 | S | B | 0.0000 | |
| 13 | A | B | 0.0000 | |
| 14 | S | B | -0.1753 | |
| 15 | V | B | 0.2593 | |
| 16 | G | B | -0.5160 | |
| 17 | D | B | -0.9680 | |
| 18 | R | B | -1.5367 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | 0.0000 | |
| 21 | I | B | 0.0000 | |
| 22 | S | B | 0.0000 | |
| 23 | C | B | 0.0000 | |
| 24 | Q | B | -1.1006 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.8709 | |
| 27 | Q | B | -2.7115 | |
| 28 | D | B | -2.8726 | |
| 29 | I | B | 0.0000 | |
| 30 | N | B | -2.0028 | |
| 31 | K | B | -1.7437 | |
| 32 | Y | B | -0.9730 | |
| 33 | L | B | 0.0000 | |
| 34 | N | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | H | B | 0.0000 | |
| 39 | K | B | -1.7301 | |
| 40 | P | B | -1.4416 | |
| 41 | G | B | -1.6454 | |
| 42 | R | B | -2.6482 | |
| 43 | A | B | -1.6441 | |
| 44 | P | B | 0.0000 | |
| 45 | K | B | -1.0772 | |
| 46 | L | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | F | B | -0.0674 | |
| 50 | D | B | -0.9790 | |
| 51 | A | B | 0.0000 | |
| 52 | S | B | -0.4270 | |
| 53 | T | B | -0.1129 | |
| 54 | L | B | 0.2721 | |
| 55 | E | B | 0.0000 | |
| 56 | T | B | -0.2558 | |
| 57 | G | B | -0.4433 | |
| 58 | V | B | 0.0000 | |
| 59 | P | B | -0.3955 | |
| 60 | S | B | -0.4373 | |
| 61 | R | B | -0.6942 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | -0.2486 | |
| 64 | G | B | 0.0000 | |
| 65 | S | B | -0.5106 | |
| 66 | G | B | -0.7414 | |
| 67 | S | B | -1.2589 | |
| 68 | G | B | -1.7437 | |
| 69 | T | B | -1.5859 | |
| 70 | H | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.4361 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -1.0181 | |
| 77 | S | B | -0.8496 | |
| 78 | L | B | 0.0000 | |
| 79 | Q | B | -0.9133 | |
| 80 | P | B | -1.3742 | |
| 81 | E | B | -1.7975 | |
| 82 | D | B | 0.0000 | |
| 83 | I | B | -1.3287 | |
| 84 | A | B | 0.0000 | |
| 85 | T | B | -0.9261 | |
| 86 | Y | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | L | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | H | B | -0.5280 | |
| 92 | D | B | -1.3191 | |
| 93 | H | B | -1.1213 | |
| 94 | V | B | -0.1342 | |
| 95 | P | B | -0.7277 | |
| 96 | L | B | 0.0000 | |
| 97 | T | B | -0.7992 | |
| 98 | F | B | -0.3161 | |
| 99 | G | B | 0.0000 | |
| 100 | G | B | -1.1181 | |
| 101 | G | B | 0.0000 | |
| 102 | T | B | 0.0000 | |
| 103 | K | B | -1.8174 | |
| 104 | V | B | 0.0000 | |
| 105 | E | B | -1.0041 | |
| 106 | I | B | 0.0000 | |
| 107 | K | B | -0.2560 | |
| 108 | R | B | -0.6251 | |
| 109 | T | B | -0.9504 | |
| 110 | V | B | 0.0000 | |
| 111 | A | B | -0.3822 | |
| 112 | A | B | -0.0912 | |
| 113 | P | B | 0.0000 | |
| 114 | S | B | 0.0200 | |
| 115 | V | B | 0.1733 | |
| 116 | F | B | 0.1818 | |
| 117 | I | B | 0.0000 | |
| 118 | F | B | 0.0000 | |
| 119 | P | B | -0.1958 | |
| 120 | P | B | 0.0000 | |
| 121 | S | B | -1.5402 | |
| 122 | D | B | -3.0572 | |
| 123 | E | B | -3.2364 | |
| 124 | Q | B | 0.0000 | |
| 125 | L | B | -2.3370 | |
| 126 | K | B | -2.9556 | |
| 127 | S | B | -1.8220 | |
| 128 | G | B | -1.2562 | |
| 129 | T | B | -1.1684 | |
| 130 | A | B | 0.0000 | |
| 131 | S | B | 0.0000 | |
| 132 | V | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | C | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | L | B | 0.0000 | |
| 137 | N | B | 0.0000 | |
| 138 | N | B | -0.6508 | |
| 139 | F | B | 0.0000 | |
| 140 | Y | B | 0.0000 | |
| 141 | P | B | 0.0000 | |
| 142 | R | B | -2.2696 | |
| 143 | E | B | -1.8707 | |
| 144 | A | B | -1.5425 | |
| 145 | K | B | -2.0920 | |
| 146 | V | B | -1.0692 | |
| 147 | Q | B | -0.6081 | |
| 148 | W | B | 0.0000 | |
| 149 | K | B | -0.5525 | |
| 150 | V | B | 0.0000 | |
| 151 | D | B | -1.8933 | |
| 152 | N | B | -1.5296 | |
| 153 | A | B | -0.2655 | |
| 154 | L | B | 0.7160 | |
| 155 | Q | B | -0.0610 | |
| 156 | S | B | -0.3689 | |
| 157 | G | B | -0.8286 | |
| 158 | N | B | -0.6870 | |
| 159 | S | B | -0.8715 | |
| 160 | Q | B | -1.0234 | |
| 161 | E | B | -1.2625 | |
| 162 | S | B | -0.7566 | |
| 163 | V | B | -0.7162 | |
| 164 | T | B | 0.0000 | |
| 165 | E | B | -2.2092 | |
| 166 | Q | B | 0.0000 | |
| 167 | D | B | -2.1734 | |
| 168 | S | B | -2.2065 | |
| 169 | K | B | -2.5154 | |
| 170 | D | B | -1.6008 | |
| 171 | S | B | 0.0000 | |
| 172 | T | B | 0.0000 | |
| 173 | Y | B | -1.1521 | |
| 174 | S | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | T | B | -0.4412 | |
| 179 | L | B | 0.0000 | |
| 180 | T | B | -0.3298 | |
| 181 | L | B | -0.5200 | |
| 182 | S | B | -0.8805 | |
| 183 | K | B | -1.8711 | |
| 184 | A | B | -1.6272 | |
| 185 | D | B | -2.1325 | |
| 186 | Y | B | 0.0000 | |
| 187 | E | B | -3.1191 | |
| 188 | K | B | -3.3649 | |
| 189 | H | B | -2.7269 | |
| 190 | K | B | -2.8769 | |
| 191 | V | B | -1.4677 | |
| 192 | Y | B | 0.0000 | |
| 193 | A | B | 0.0000 | |
| 194 | C | B | 0.0000 | |
| 195 | E | B | -0.5559 | |
| 196 | V | B | 0.0000 | |
| 197 | T | B | -0.8174 | |
| 198 | H | B | 0.0000 | |
| 199 | Q | B | -0.7536 | |
| 200 | G | B | 0.0000 | |
| 201 | L | B | 0.0599 | |
| 202 | S | B | -0.1996 | |
| 203 | S | B | -0.2286 | |
| 204 | P | B | -0.3994 | |
| 205 | V | B | 0.2462 | |
| 206 | T | B | -0.2264 | |
| 207 | K | B | -0.4303 | |
| 208 | S | B | -0.6128 | |
| 209 | F | B | 0.0000 | |
| 210 | N | B | 0.0000 | |
| 211 | R | B | -1.9348 | |
| 212 | G | B | -1.5884 | |
| 213 | E | B | -2.0315 | |
| 214 | C | B | -0.3987 | |
| 1 | E | C | -2.2924 | |
| 2 | V | C | -1.6652 | |
| 3 | Q | C | -1.4431 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 1.1572 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.3397 | |
| 8 | G | C | -0.8754 | |
| 9 | G | C | -0.5496 | |
| 10 | G | C | -0.4040 | |
| 11 | L | C | -0.1219 | |
| 12 | V | C | -0.6403 | |
| 13 | Q | C | -1.7383 | |
| 14 | P | C | -2.1568 | |
| 15 | G | C | -2.1838 | |
| 16 | G | C | -1.5614 | |
| 17 | S | C | -1.5276 | |
| 18 | L | C | -1.1227 | |
| 19 | R | C | -1.8566 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.4527 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.0725 | |
| 24 | A | C | -0.1932 | |
| 25 | S | C | -0.9940 | |
| 26 | E | C | -1.9938 | |
| 27 | I | C | 0.0000 | |
| 28 | I | C | 1.1226 | |
| 29 | V | C | 0.0000 | |
| 30 | S | C | -0.0987 | |
| 31 | S | C | 0.3529 | |
| 32 | N | C | 0.0000 | |
| 33 | Y | C | 0.4309 | |
| 34 | M | C | 0.0000 | |
| 35 | R | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -0.8182 | |
| 40 | A | C | -1.2396 | |
| 41 | P | C | -1.1981 | |
| 42 | G | C | -1.4608 | |
| 43 | K | C | -2.2659 | |
| 44 | G | C | -1.3802 | |
| 45 | L | C | 0.0000 | |
| 46 | E | C | -0.9070 | |
| 47 | W | C | 0.0000 | |
| 48 | V | C | 0.0000 | |
| 49 | S | C | 0.0000 | |
| 50 | D | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | Y | C | 0.2467 | |
| 53 | P | C | 0.0499 | |
| 54 | G | C | -0.4940 | |
| 55 | G | C | -0.4084 | |
| 56 | T | C | -0.0856 | |
| 57 | T | C | 0.1482 | |
| 58 | Y | C | 0.2635 | |
| 59 | Y | C | -0.5901 | |
| 60 | A | C | 0.0000 | |
| 61 | D | C | -2.6688 | |
| 62 | S | C | -1.7991 | |
| 63 | V | C | 0.0000 | |
| 64 | K | C | -2.5998 | |
| 65 | G | C | -1.9210 | |
| 66 | R | C | -1.8885 | |
| 67 | F | C | 0.0000 | |
| 68 | S | C | -0.8364 | |
| 69 | I | C | 0.0000 | |
| 70 | S | C | -0.7296 | |
| 71 | R | C | -1.4746 | |
| 72 | D | C | -2.0769 | |
| 73 | N | C | -2.0721 | |
| 74 | S | C | -1.9480 | |
| 75 | K | C | -2.3337 | |
| 76 | N | C | -1.5162 | |
| 77 | T | C | 0.0000 | |
| 78 | M | C | 0.0000 | |
| 79 | Y | C | 0.0000 | |
| 80 | L | C | 0.0000 | |
| 81 | Q | C | -1.1843 | |
| 82 | M | C | 0.0000 | |
| 83 | S | C | -1.8495 | |
| 84 | D | C | -2.8160 | |
| 85 | L | C | 0.0000 | |
| 86 | R | C | -3.2255 | |
| 87 | A | C | -1.9756 | |
| 88 | E | C | -2.4718 | |
| 89 | D | C | 0.0000 | |
| 90 | T | C | -0.8791 | |
| 91 | A | C | 0.0000 | |
| 92 | V | C | 0.1292 | |
| 93 | Y | C | 0.0000 | |
| 94 | Y | C | 0.0000 | |
| 95 | C | C | 0.0000 | |
| 96 | A | C | 0.0000 | |
| 97 | R | C | -0.0635 | |
| 98 | P | C | 0.0000 | |
| 99 | I | C | -0.3809 | |
| 100 | M | C | -0.5708 | |
| 101 | G | C | -1.0648 | |
| 102 | G | C | -1.5323 | |
| 103 | R | C | -1.9597 | |
| 104 | H | C | -1.6712 | |
| 105 | G | C | -0.6178 | |
| 106 | M | C | 0.0245 | |
| 107 | D | C | -0.0122 | |
| 108 | V | C | -0.4161 | |
| 109 | W | C | 0.0000 | |
| 110 | G | C | 0.0000 | |
| 111 | Q | C | -1.4110 | |
| 112 | G | C | 0.0000 | |
| 113 | T | C | -0.0760 | |
| 114 | T | C | -0.1872 | |
| 115 | V | C | 0.0000 | |
| 116 | T | C | 0.0000 | |
| 117 | V | C | 0.0000 | |
| 118 | S | C | -1.1591 | |
| 119 | S | C | -0.7985 | |
| 120 | G | C | -0.7744 | |
| 121 | S | C | -0.5230 | |
| 122 | A | C | -0.5303 | |
| 123 | S | C | -0.7302 | |
| 124 | A | C | -1.1010 | |
| 125 | P | C | 0.0000 | |
| 126 | T | C | -0.7279 | |
| 127 | L | C | 0.0000 | |
| 128 | F | C | 0.0000 | |
| 129 | P | C | -0.7367 | |
| 130 | L | C | 0.0000 | |
| 131 | V | C | 0.2024 | |
| 132 | S | C | -0.1531 | |
| 133 | C | C | -0.3950 | |
| 134 | E | C | -0.9529 | |
| 135 | N | C | -0.4004 | |
| 136 | S | C | 0.0000 | |
| 137 | P | C | -0.7760 | |
| 138 | S | C | -1.3629 | |
| 139 | D | C | -2.1648 | |
| 140 | T | C | -1.1243 | |
| 141 | S | C | -1.0929 | |
| 142 | S | C | -0.9605 | |
| 143 | V | C | 0.0000 | |
| 144 | A | C | 0.0000 | |
| 145 | V | C | 0.0000 | |
| 146 | G | C | 0.0000 | |
| 147 | C | C | 0.0000 | |
| 148 | L | C | 0.0000 | |
| 149 | A | C | 0.0000 | |
| 150 | Q | C | 0.0000 | |
| 151 | D | C | -1.6362 | |
| 152 | F | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | D | C | -0.5475 | |
| 156 | S | C | -0.5486 | |
| 157 | I | C | -0.4295 | |
| 158 | T | C | -0.5631 | |
| 159 | F | C | -0.5243 | |
| 160 | S | C | -0.9783 | |
| 161 | W | C | 0.0000 | |
| 162 | K | C | -2.1344 | |
| 163 | Y | C | -2.3390 | |
| 164 | K | C | -3.3927 | |
| 165 | N | C | -2.9405 | |
| 166 | N | C | -2.8680 | |
| 167 | S | C | -2.3068 | |
| 168 | D | C | -2.5957 | |
| 169 | I | C | 0.0000 | |
| 170 | S | C | -0.8136 | |
| 171 | S | C | -0.4728 | |
| 172 | T | C | -0.5244 | |
| 173 | R | C | -0.6356 | |
| 174 | G | C | -0.5359 | |
| 175 | F | C | 0.0000 | |
| 176 | P | C | -0.5637 | |
| 177 | S | C | -0.0787 | |
| 178 | V | C | 0.1205 | |
| 179 | L | C | 0.3099 | |
| 180 | R | C | -1.1459 | |
| 181 | G | C | -1.2580 | |
| 182 | G | C | -1.1562 | |
| 183 | K | C | -1.2995 | |
| 184 | Y | C | -0.5194 | |
| 185 | A | C | 0.0000 | |
| 186 | A | C | 0.0000 | |
| 187 | T | C | 0.0000 | |
| 188 | S | C | 0.0000 | |
| 189 | Q | C | 0.0000 | |
| 190 | V | C | 0.0000 | |
| 191 | L | C | 0.0338 | |
| 192 | L | C | 0.0000 | |
| 193 | P | C | -1.2232 | |
| 194 | S | C | -1.7136 | |
| 195 | K | C | -2.7499 | |
| 196 | D | C | -2.9233 | |
| 197 | V | C | -1.4449 | |
| 198 | M | C | -0.8727 | |
| 199 | Q | C | -2.0839 | |
| 200 | G | C | -1.9947 | |
| 201 | T | C | -1.4873 | |
| 202 | D | C | -2.3192 | |
| 203 | E | C | -2.1950 | |
| 204 | H | C | -1.8930 | |
| 205 | V | C | 0.0000 | |
| 206 | V | C | -1.8806 | |
| 207 | C | C | 0.0000 | |
| 208 | K | C | -2.1276 | |
| 209 | V | C | 0.0000 | |
| 210 | Q | C | -2.3062 | |
| 211 | H | C | 0.0000 | |
| 212 | P | C | -1.1839 | |
| 213 | N | C | -1.4667 | |
| 214 | G | C | -1.6789 | |
| 215 | N | C | -2.8396 | |
| 216 | K | C | -2.8095 | |
| 217 | E | C | -3.1575 | |
| 218 | K | C | -2.0756 | |
| 219 | N | C | -2.2616 | |
| 220 | V | C | 0.0000 | |
| 221 | P | C | -0.8029 | |
| 222 | L | C | 0.0000 | |
| 223 | P | C | 0.0000 | |
| 224 | V | C | 1.2544 | |
| 225 | I | C | 0.5478 | |
| 226 | A | C | -0.4479 | |
| 227 | E | C | -1.7488 | |
| 228 | L | C | -1.0345 | |
| 229 | P | C | -0.8941 | |
| 230 | P | C | 0.0000 | |
| 231 | K | C | -1.6457 | |
| 232 | V | C | 0.0000 | |
| 233 | S | C | -1.0945 | |
| 234 | V | C | 0.0000 | |
| 235 | F | C | 0.0000 | |
| 236 | V | C | 0.0000 | |
| 237 | P | C | 0.0000 | |
| 238 | P | C | -0.9033 | |
| 239 | R | C | -1.5043 | |
| 240 | D | C | -2.2755 | |
| 241 | G | C | -1.5315 | |
| 242 | F | C | 0.0000 | |
| 243 | F | C | -1.0114 | |
| 244 | G | C | -1.6186 | |
| 245 | N | C | -2.2311 | |
| 246 | P | C | -2.1285 | |
| 247 | R | C | -2.5521 | |
| 248 | K | C | -2.1874 | |
| 249 | S | C | 0.0000 | |
| 250 | K | C | -1.0013 | |
| 251 | L | C | 0.0000 | |
| 252 | I | C | 0.0000 | |
| 253 | C | C | 0.0000 | |
| 254 | Q | C | -0.6575 | |
| 255 | A | C | 0.0000 | |
| 256 | T | C | -1.1699 | |
| 257 | G | C | -1.0108 | |
| 258 | F | C | 0.0000 | |
| 259 | S | C | 0.0000 | |
| 260 | P | C | -1.3658 | |
| 261 | R | C | -2.2292 | |
| 262 | Q | C | -1.9747 | |
| 263 | I | C | -1.5144 | |
| 264 | Q | C | -1.6594 | |
| 265 | V | C | -0.6377 | |
| 266 | S | C | -0.7327 | |
| 267 | W | C | 0.0000 | |
| 268 | L | C | -2.2503 | |
| 269 | R | C | -2.5092 | |
| 270 | E | C | -3.1464 | |
| 271 | G | C | -2.5136 | |
| 272 | K | C | -3.2135 | |
| 273 | Q | C | -2.5754 | |
| 274 | V | C | -1.3059 | |
| 275 | G | C | -0.8495 | |
| 276 | S | C | -0.4885 | |
| 277 | G | C | -0.3332 | |
| 278 | V | C | 0.0270 | |
| 279 | T | C | -0.4631 | |
| 280 | T | C | -1.1837 | |
| 281 | D | C | -2.5722 | |
| 282 | Q | C | -2.4205 | |
| 283 | V | C | -2.0905 | |
| 284 | Q | C | -2.2947 | |
| 285 | A | C | -1.5580 | |
| 286 | E | C | -1.3356 | |
| 287 | A | C | -1.3868 | |
| 288 | K | C | -2.3845 | |
| 289 | E | C | -2.6264 | |
| 290 | S | C | -1.8598 | |
| 291 | G | C | -1.2885 | |
| 292 | P | C | -1.0287 | |
| 293 | T | C | 0.0000 | |
| 294 | T | C | 0.0000 | |
| 295 | Y | C | 0.0000 | |
| 296 | K | C | -1.9575 | |
| 297 | V | C | 0.0000 | |
| 298 | T | C | -1.1658 | |
| 299 | S | C | 0.0000 | |
| 300 | T | C | -0.4125 | |
| 301 | L | C | 0.0000 | |
| 302 | T | C | -0.7043 | |
| 303 | I | C | 0.0000 | |
| 304 | K | C | -2.0262 | |
| 305 | E | C | -1.4651 | |
| 306 | S | C | -1.1391 | |
| 307 | D | C | -1.0534 | |
| 308 | W | C | 0.0000 | |
| 309 | L | C | -0.6795 | |
| 310 | S | C | -0.7000 | |
| 311 | Q | C | -1.1307 | |
| 312 | S | C | 0.0000 | |
| 313 | M | C | -1.1212 | |
| 314 | F | C | 0.0000 | |
| 315 | T | C | 0.0000 | |
| 316 | C | C | 0.0000 | |
| 317 | R | C | -1.6573 | |
| 318 | V | C | 0.0000 | |
| 319 | D | C | -1.0745 | |
| 320 | H | C | 0.0000 | |
| 321 | R | C | -2.2902 | |
| 322 | G | C | -0.6922 | |
| 323 | L | C | 0.5310 | |
| 324 | T | C | -0.2627 | |
| 325 | F | C | -0.5687 | |
| 326 | Q | C | -1.8468 | |
| 327 | Q | C | -2.0289 | |
| 328 | N | C | -2.3394 | |
| 329 | A | C | 0.0000 | |
| 330 | S | C | -0.3457 | |
| 331 | S | C | 0.0000 | |
| 332 | M | C | 0.5892 | |
| 333 | C | C | 0.1269 | |
| 334 | V | C | -0.5318 | |
| 335 | P | C | -0.5953 | |
| 336 | D | C | -1.4521 | |
| 337 | Q | C | -1.9679 | |
| 338 | D | C | -2.2156 | |
| 339 | T | C | -1.6549 | |
| 340 | A | C | -1.6467 | |
| 341 | I | C | 0.0000 | |
| 342 | R | C | -1.3276 | |
| 343 | V | C | 0.0000 | |
| 344 | F | C | 0.6523 | |
| 345 | A | C | 0.6398 | |
| 346 | I | C | 1.2290 | |
| 347 | P | C | 0.4120 | |
| 348 | P | C | -0.0416 | |
| 349 | S | C | 0.0501 | |
| 350 | F | C | 0.0000 | |
| 351 | A | C | 0.1938 | |
| 352 | S | C | 0.1374 | |
| 353 | I | C | 0.0000 | |
| 354 | F | C | 0.2485 | |
| 355 | L | C | 1.1410 | |
| 356 | T | C | -0.1335 | |
| 357 | K | C | -1.3756 | |
| 358 | S | C | -0.8320 | |
| 359 | T | C | 0.0000 | |
| 360 | K | C | -0.6971 | |
| 361 | L | C | 0.0000 | |
| 362 | T | C | 0.1901 | |
| 363 | C | C | 0.0000 | |
| 364 | L | C | 0.6633 | |
| 365 | V | C | 0.0000 | |
| 366 | T | C | -0.3412 | |
| 367 | D | C | -1.0562 | |
| 368 | L | C | 0.0000 | |
| 369 | T | C | -0.4204 | |
| 370 | T | C | -0.2917 | |
| 371 | Y | C | 0.1243 | |
| 372 | D | C | -1.3437 | |
| 373 | S | C | -0.7799 | |
| 374 | V | C | -0.1846 | |
| 375 | T | C | -0.2010 | |
| 376 | I | C | 0.0000 | |
| 377 | S | C | -0.8725 | |
| 378 | W | C | 0.0000 | |
| 379 | T | C | -1.9743 | |
| 380 | R | C | -2.8485 | |
| 381 | Q | C | -3.3393 | |
| 382 | N | C | -3.0990 | |
| 383 | G | C | -2.6806 | |
| 384 | E | C | -2.9590 | |
| 385 | A | C | -1.7392 | |
| 386 | V | C | -1.4358 | |
| 387 | K | C | -2.1683 | |
| 388 | T | C | -1.6886 | |
| 389 | H | C | -1.9301 | |
| 390 | T | C | -1.1961 | |
| 391 | N | C | -1.3439 | |
| 392 | I | C | -0.2276 | |
| 393 | S | C | -0.7974 | |
| 394 | E | C | -1.9711 | |
| 395 | S | C | -1.3761 | |
| 396 | H | C | -1.4725 | |
| 397 | P | C | -1.2770 | |
| 398 | N | C | -1.5343 | |
| 399 | A | C | -1.0111 | |
| 400 | T | C | 0.0000 | |
| 401 | F | C | -0.2842 | |
| 402 | S | C | 0.0000 | |
| 403 | A | C | 0.0000 | |
| 404 | V | C | 0.0286 | |
| 405 | G | C | 0.0000 | |
| 406 | E | C | -1.3943 | |
| 407 | A | C | 0.0000 | |
| 408 | S | C | -0.8437 | |
| 409 | I | C | -0.5541 | |
| 410 | C | C | -0.6993 | |
| 411 | E | C | -1.6329 | |
| 412 | D | C | -2.3062 | |
| 413 | D | C | -1.8928 | |
| 414 | W | C | 0.0000 | |
| 415 | N | C | -1.9773 | |
| 416 | S | C | -1.8290 | |
| 417 | G | C | 0.0000 | |
| 418 | E | C | -2.2756 | |
| 419 | R | C | -2.8862 | |
| 420 | F | C | 0.0000 | |
| 421 | T | C | -1.4980 | |
| 422 | C | C | 0.0000 | |
| 423 | T | C | -0.8519 | |
| 424 | V | C | 0.0000 | |
| 425 | T | C | -0.4030 | |
| 426 | H | C | 0.0000 | |
| 427 | T | C | -0.7625 | |
| 428 | D | C | -1.3136 | |
| 429 | L | C | -0.6321 | |
| 430 | P | C | -0.6351 | |
| 431 | S | C | -0.5803 | |
| 432 | P | C | -0.6532 | |
| 433 | L | C | -0.8916 | |
| 434 | K | C | -1.8364 | |
| 435 | Q | C | -1.1336 | |
| 436 | T | C | -1.1445 | |
| 437 | I | C | -0.4030 | |
| 438 | S | C | -1.3844 | |
| 439 | R | C | -1.4280 | |
| 440 | P | C | -1.2531 | |
| 441 | K | C | -2.0212 | |
| 442 | G | C | -0.8679 | |
| 443 | V | C | 0.1162 | |
| 444 | A | C | 0.2342 | |
| 445 | L | C | 0.5541 | |
| 446 | H | C | -0.5339 | |
| 447 | R | C | -1.3274 | |
| 448 | P | C | 0.0000 | |
| 449 | D | C | -0.6224 | |
| 450 | V | C | 0.0000 | |
| 451 | Y | C | 0.0000 | |
| 452 | L | C | 0.0000 | |
| 453 | L | C | 0.0000 | |
| 454 | P | C | -0.7535 | |
| 455 | P | C | 0.0000 | |
| 456 | A | C | 0.0000 | |
| 457 | R | C | -1.9402 | |
| 458 | E | C | -1.5138 | |
| 459 | Q | C | 0.0000 | |
| 460 | L | C | -1.9156 | |
| 461 | N | C | -1.9210 | |
| 462 | L | C | -0.9168 | |
| 463 | R | C | -2.9498 | |
| 464 | E | C | -2.8443 | |
| 465 | S | C | -1.7989 | |
| 466 | A | C | 0.0000 | |
| 467 | T | C | 0.0000 | |
| 468 | I | C | 0.0000 | |
| 469 | T | C | 0.0000 | |
| 470 | C | C | 0.0000 | |
| 471 | L | C | 0.0000 | |
| 472 | V | C | 0.0000 | |
| 473 | T | C | -0.3659 | |
| 474 | G | C | 0.0000 | |
| 475 | F | C | 0.0000 | |
| 476 | S | C | 0.0000 | |
| 477 | P | C | -0.2284 | |
| 478 | A | C | -0.3176 | |
| 479 | D | C | -0.7230 | |
| 480 | V | C | -0.1411 | |
| 481 | F | C | 0.2855 | |
| 482 | V | C | 0.0000 | |
| 483 | Q | C | -0.0834 | |
| 484 | W | C | 0.0000 | |
| 485 | M | C | -1.0652 | |
| 486 | Q | C | -1.6527 | |
| 487 | R | C | -2.5671 | |
| 488 | G | C | -1.7883 | |
| 489 | Q | C | -2.0955 | |
| 490 | P | C | -1.2013 | |
| 491 | L | C | 0.0000 | |
| 492 | S | C | -1.1910 | |
| 493 | P | C | -1.3338 | |
| 494 | E | C | -2.4220 | |
| 495 | K | C | -1.7586 | |
| 496 | Y | C | -0.8805 | |
| 497 | V | C | -0.2244 | |
| 498 | T | C | 0.1979 | |
| 499 | S | C | 0.0000 | |
| 500 | A | C | 0.0435 | |
| 501 | P | C | -0.1456 | |
| 502 | M | C | -0.0019 | |
| 503 | P | C | -0.5981 | |
| 504 | E | C | -1.0321 | |
| 505 | P | C | -1.3551 | |
| 506 | Q | C | -1.5946 | |
| 507 | A | C | -0.9361 | |
| 508 | P | C | -0.9669 | |
| 509 | G | C | -0.8296 | |
| 510 | R | C | -1.0484 | |
| 511 | Y | C | -0.4104 | |
| 512 | F | C | 0.0000 | |
| 513 | A | C | 0.0000 | |
| 514 | H | C | 0.0000 | |
| 515 | S | C | 0.0000 | |
| 516 | I | C | 0.0000 | |
| 517 | L | C | 0.0000 | |
| 518 | T | C | -0.5683 | |
| 519 | V | C | 0.0000 | |
| 520 | S | C | -1.8774 | |
| 521 | E | C | -2.6543 | |
| 522 | E | C | -3.1893 | |
| 523 | E | C | -2.0534 | |
| 524 | W | C | 0.0000 | |
| 525 | N | C | -2.2601 | |
| 526 | T | C | -1.5193 | |
| 527 | G | C | -1.4166 | |
| 528 | E | C | -1.4738 | |
| 529 | T | C | -1.0452 | |
| 530 | Y | C | 0.0000 | |
| 531 | T | C | -0.4285 | |
| 532 | C | C | 0.0000 | |
| 533 | V | C | 0.0000 | |
| 534 | V | C | 0.0000 | |
| 535 | A | C | 0.0000 | |
| 536 | H | C | 0.0000 | |
| 537 | E | C | -1.1043 | |
| 538 | A | C | -0.8261 | |
| 539 | L | C | 0.0000 | |
| 540 | P | C | -1.3657 | |
| 541 | N | C | -1.5694 | |
| 542 | R | C | -1.7469 | |
| 543 | V | C | -0.6733 | |
| 544 | T | C | -0.1452 | |
| 545 | E | C | 0.0000 | |
| 546 | R | C | 0.2471 | |
| 547 | T | C | 0.0000 | |
| 548 | V | C | 0.0000 | |
| 549 | D | C | 0.0000 | |
| 550 | K | C | -1.8831 | |
| 551 | S | C | -1.3137 | |
| 552 | T | C | -1.3059 | |
| 553 | G | C | -1.8496 | |
| 554 | K | C | -2.3943 | |
| 555 | P | C | -0.9992 | |
| 556 | T | C | -0.0417 | |
| 557 | L | C | 1.0630 | |
| 558 | Y | C | 1.2847 | |
| 559 | N | C | 0.3385 | |
| 560 | V | C | 1.8366 | |
| 561 | S | C | 1.1930 | |
| 562 | L | C | 1.6078 | |
| 563 | V | C | 1.8824 | |
| 564 | M | C | 0.5329 | |
| 565 | S | C | -0.3084 | |
| 566 | D | C | -1.6024 | |
| 567 | T | C | -1.2840 | |
| 568 | A | C | -0.9675 | |
| 569 | G | C | -0.5907 | |
| 570 | T | C | 0.4954 | |
| 571 | C | C | 0.9729 | |
| 572 | Y | C | 1.6000 | |
| 1 | E | D | -2.2556 | |
| 2 | V | D | -1.5572 | |
| 3 | Q | D | -1.3546 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.5855 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.5177 | |
| 8 | G | D | -0.9384 | |
| 9 | G | D | -0.6330 | |
| 10 | G | D | -0.4741 | |
| 11 | L | D | -0.2329 | |
| 12 | V | D | 0.0000 | |
| 13 | Q | D | -1.9732 | |
| 14 | P | D | -2.2258 | |
| 15 | G | D | -2.1842 | |
| 16 | G | D | 0.0000 | |
| 17 | S | D | -1.6016 | |
| 18 | L | D | -1.3040 | |
| 19 | R | D | -2.1177 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.5665 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.2112 | |
| 24 | A | D | -0.2625 | |
| 25 | S | D | -0.9757 | |
| 26 | E | D | -1.9240 | |
| 27 | I | D | 0.0000 | |
| 28 | I | D | 1.0492 | |
| 29 | V | D | 0.0000 | |
| 30 | S | D | -0.1887 | |
| 31 | S | D | 0.1661 | |
| 32 | N | D | 0.0978 | |
| 33 | Y | D | 0.2881 | |
| 34 | M | D | 0.0000 | |
| 35 | R | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | -0.8263 | |
| 40 | A | D | -1.2404 | |
| 41 | P | D | -1.1996 | |
| 42 | G | D | -1.4610 | |
| 43 | K | D | -2.2674 | |
| 44 | G | D | -1.3864 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -0.9091 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | S | D | 0.0000 | |
| 50 | D | D | 0.0000 | |
| 51 | I | D | 0.0000 | |
| 52 | Y | D | 0.2102 | |
| 53 | P | D | -0.0790 | |
| 54 | G | D | -0.5462 | |
| 55 | G | D | -0.4363 | |
| 56 | T | D | -0.0716 | |
| 57 | T | D | 0.1970 | |
| 58 | Y | D | 0.3432 | |
| 59 | Y | D | -0.5717 | |
| 60 | A | D | 0.0000 | |
| 61 | D | D | -2.6568 | |
| 62 | S | D | -1.8001 | |
| 63 | V | D | 0.0000 | |
| 64 | K | D | -2.5808 | |
| 65 | G | D | -1.9160 | |
| 66 | R | D | -1.8812 | |
| 67 | F | D | 0.0000 | |
| 68 | S | D | -0.8561 | |
| 69 | I | D | 0.0000 | |
| 70 | S | D | -0.7101 | |
| 71 | R | D | -1.3936 | |
| 72 | D | D | -1.9276 | |
| 73 | N | D | -2.0213 | |
| 74 | S | D | -1.9047 | |
| 75 | K | D | -2.2909 | |
| 76 | N | D | -1.4776 | |
| 77 | T | D | 0.0000 | |
| 78 | M | D | 0.0000 | |
| 79 | Y | D | -0.7689 | |
| 80 | L | D | 0.0000 | |
| 81 | Q | D | -1.3083 | |
| 82 | M | D | 0.0000 | |
| 83 | S | D | -1.8633 | |
| 84 | D | D | -2.7815 | |
| 85 | L | D | 0.0000 | |
| 86 | R | D | -3.1646 | |
| 87 | A | D | -1.9715 | |
| 88 | E | D | -2.4372 | |
| 89 | D | D | 0.0000 | |
| 90 | T | D | -0.8829 | |
| 91 | A | D | 0.0000 | |
| 92 | V | D | 0.0966 | |
| 93 | Y | D | 0.0000 | |
| 94 | Y | D | 0.0000 | |
| 95 | C | D | 0.0000 | |
| 96 | A | D | 0.0000 | |
| 97 | R | D | -0.1073 | |
| 98 | P | D | 0.0000 | |
| 99 | I | D | -0.6002 | |
| 100 | M | D | -0.7712 | |
| 101 | G | D | -1.2868 | |
| 102 | G | D | -1.8480 | |
| 103 | R | D | -2.6252 | |
| 104 | H | D | -2.0341 | |
| 105 | G | D | -0.9157 | |
| 106 | M | D | -0.3481 | |
| 107 | D | D | 0.0000 | |
| 108 | V | D | -0.3554 | |
| 109 | W | D | 0.0000 | |
| 110 | G | D | 0.0000 | |
| 111 | Q | D | -1.5525 | |
| 112 | G | D | -0.7299 | |
| 113 | T | D | -0.1936 | |
| 114 | T | D | -0.2077 | |
| 115 | V | D | 0.0000 | |
| 116 | T | D | 0.0000 | |
| 117 | V | D | 0.0000 | |
| 118 | S | D | -1.2479 | |
| 119 | S | D | -0.9132 | |
| 120 | G | D | -0.8724 | |
| 121 | S | D | -0.5925 | |
| 122 | A | D | -0.5044 | |
| 123 | S | D | -0.7745 | |
| 124 | A | D | -1.1329 | |
| 125 | P | D | 0.0000 | |
| 126 | T | D | -0.7410 | |
| 127 | L | D | 0.0000 | |
| 128 | F | D | 0.0000 | |
| 129 | P | D | -0.7481 | |
| 130 | L | D | 0.0000 | |
| 131 | V | D | 0.3144 | |
| 132 | S | D | 0.1056 | |
| 133 | C | D | -0.1522 | |
| 134 | E | D | -0.2853 | |
| 135 | N | D | -0.0832 | |
| 136 | S | D | 0.0000 | |
| 137 | P | D | -0.7111 | |
| 138 | S | D | -1.2986 | |
| 139 | D | D | -2.0518 | |
| 140 | T | D | -1.1399 | |
| 141 | S | D | -1.0840 | |
| 142 | S | D | -0.8061 | |
| 143 | V | D | 0.0000 | |
| 144 | A | D | 0.0000 | |
| 145 | V | D | 0.0000 | |
| 146 | G | D | 0.0000 | |
| 147 | C | D | 0.0000 | |
| 148 | L | D | 0.0000 | |
| 149 | A | D | 0.0000 | |
| 150 | Q | D | 0.0000 | |
| 151 | D | D | -1.6256 | |
| 152 | F | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | D | D | -0.5663 | |
| 156 | S | D | -0.5613 | |
| 157 | I | D | -0.4346 | |
| 158 | T | D | -0.5565 | |
| 159 | F | D | -0.5099 | |
| 160 | S | D | -0.9760 | |
| 161 | W | D | 0.0000 | |
| 162 | K | D | -2.2480 | |
| 163 | Y | D | -2.4727 | |
| 164 | K | D | -3.4496 | |
| 165 | N | D | -2.9857 | |
| 166 | N | D | -2.9303 | |
| 167 | S | D | -2.3675 | |
| 168 | D | D | -2.6620 | |
| 169 | I | D | 0.0000 | |
| 170 | S | D | -0.8529 | |
| 171 | S | D | -0.5286 | |
| 172 | T | D | -0.5538 | |
| 173 | R | D | -0.5656 | |
| 174 | G | D | -0.5430 | |
| 175 | F | D | 0.0000 | |
| 176 | P | D | -0.5410 | |
| 177 | S | D | -0.0167 | |
| 178 | V | D | 0.2709 | |
| 179 | L | D | 0.4326 | |
| 180 | R | D | -0.8760 | |
| 181 | G | D | -1.1449 | |
| 182 | G | D | -1.0877 | |
| 183 | K | D | -1.2369 | |
| 184 | Y | D | -0.4467 | |
| 185 | A | D | -0.3294 | |
| 186 | A | D | 0.0000 | |
| 187 | T | D | 0.0000 | |
| 188 | S | D | 0.0000 | |
| 189 | Q | D | 0.0000 | |
| 190 | V | D | 0.0000 | |
| 191 | L | D | 0.0311 | |
| 192 | L | D | 0.0000 | |
| 193 | P | D | -0.8361 | |
| 194 | S | D | -1.3821 | |
| 195 | K | D | -2.2433 | |
| 196 | D | D | -1.8524 | |
| 197 | V | D | -0.9396 | |
| 198 | M | D | -0.6247 | |
| 199 | Q | D | -1.7361 | |
| 200 | G | D | -1.5663 | |
| 201 | T | D | -1.2998 | |
| 202 | D | D | -2.1389 | |
| 203 | E | D | -2.1508 | |
| 204 | H | D | -1.8656 | |
| 205 | V | D | 0.0000 | |
| 206 | V | D | -1.9171 | |
| 207 | C | D | 0.0000 | |
| 208 | K | D | -2.0961 | |
| 209 | V | D | 0.0000 | |
| 210 | Q | D | -2.3043 | |
| 211 | H | D | 0.0000 | |
| 212 | P | D | -1.1853 | |
| 213 | N | D | -1.4692 | |
| 214 | G | D | -1.6970 | |
| 215 | N | D | -2.8522 | |
| 216 | K | D | -2.8365 | |
| 217 | E | D | -3.1582 | |
| 218 | K | D | -2.0702 | |
| 219 | N | D | -2.2517 | |
| 220 | V | D | 0.0000 | |
| 221 | P | D | -0.7426 | |
| 222 | L | D | 0.0000 | |
| 223 | P | D | 0.0000 | |
| 224 | V | D | 1.3090 | |
| 225 | I | D | 0.6101 | |
| 226 | A | D | -0.3822 | |
| 227 | E | D | -1.6921 | |
| 228 | L | D | -0.9727 | |
| 229 | P | D | -0.8858 | |
| 230 | P | D | 0.0000 | |
| 231 | K | D | -1.5474 | |
| 232 | V | D | 0.0000 | |
| 233 | S | D | -1.0938 | |
| 234 | V | D | 0.0000 | |
| 235 | F | D | 0.0000 | |
| 236 | V | D | 0.0000 | |
| 237 | P | D | 0.0000 | |
| 238 | P | D | -0.8337 | |
| 239 | R | D | -1.2092 | |
| 240 | D | D | -2.0320 | |
| 241 | G | D | -1.4234 | |
| 242 | F | D | 0.0000 | |
| 243 | F | D | -0.7603 | |
| 244 | G | D | -1.3935 | |
| 245 | N | D | -2.0309 | |
| 246 | P | D | -1.8644 | |
| 247 | R | D | -2.0583 | |
| 248 | K | D | -1.9891 | |
| 249 | S | D | 0.0000 | |
| 250 | K | D | -1.0658 | |
| 251 | L | D | 0.0000 | |
| 252 | I | D | 0.0000 | |
| 253 | C | D | 0.0000 | |
| 254 | Q | D | -0.6487 | |
| 255 | A | D | 0.0000 | |
| 256 | T | D | -0.9739 | |
| 257 | G | D | -0.7130 | |
| 258 | F | D | 0.0000 | |
| 259 | S | D | 0.0000 | |
| 260 | P | D | 0.0000 | |
| 261 | R | D | -1.9558 | |
| 262 | Q | D | -1.8888 | |
| 263 | I | D | -1.4352 | |
| 264 | Q | D | -1.6416 | |
| 265 | V | D | -0.6235 | |
| 266 | S | D | -0.7113 | |
| 267 | W | D | 0.0000 | |
| 268 | L | D | -2.2018 | |
| 269 | R | D | -2.4724 | |
| 270 | E | D | -3.0796 | |
| 271 | G | D | -2.4776 | |
| 272 | K | D | -3.1882 | |
| 273 | Q | D | -2.5606 | |
| 274 | V | D | -1.2946 | |
| 275 | G | D | -0.8511 | |
| 276 | S | D | -0.4915 | |
| 277 | G | D | -0.3456 | |
| 278 | V | D | 0.0099 | |
| 279 | T | D | -0.4670 | |
| 280 | T | D | -1.1925 | |
| 281 | D | D | -2.4646 | |
| 282 | Q | D | -2.2381 | |
| 283 | V | D | -1.7060 | |
| 284 | Q | D | -1.4437 | |
| 285 | A | D | -1.1596 | |
| 286 | E | D | -1.1798 | |
| 287 | A | D | -1.3447 | |
| 288 | K | D | -2.5175 | |
| 289 | E | D | -2.7959 | |
| 290 | S | D | -2.0021 | |
| 291 | G | D | -1.4614 | |
| 292 | P | D | -0.9587 | |
| 293 | T | D | -0.8699 | |
| 294 | T | D | 0.0000 | |
| 295 | Y | D | 0.0000 | |
| 296 | K | D | -1.4536 | |
| 297 | V | D | 0.0000 | |
| 298 | T | D | -1.0591 | |
| 299 | S | D | 0.0000 | |
| 300 | T | D | -0.4395 | |
| 301 | L | D | 0.0000 | |
| 302 | T | D | -0.7243 | |
| 303 | I | D | 0.0000 | |
| 304 | K | D | -1.8458 | |
| 305 | E | D | -1.4057 | |
| 306 | S | D | -1.1465 | |
| 307 | D | D | -1.2192 | |
| 308 | W | D | 0.0000 | |
| 309 | L | D | -0.7514 | |
| 310 | S | D | -0.8002 | |
| 311 | Q | D | -1.1655 | |
| 312 | S | D | 0.0000 | |
| 313 | M | D | -1.0995 | |
| 314 | F | D | 0.0000 | |
| 315 | T | D | 0.0000 | |
| 316 | C | D | 0.0000 | |
| 317 | R | D | -1.5913 | |
| 318 | V | D | 0.0000 | |
| 319 | D | D | -1.1113 | |
| 320 | H | D | 0.0000 | |
| 321 | R | D | -2.3291 | |
| 322 | G | D | -0.7840 | |
| 323 | L | D | 0.3412 | |
| 324 | T | D | -0.3162 | |
| 325 | F | D | -0.5354 | |
| 326 | Q | D | -1.7044 | |
| 327 | Q | D | -1.9982 | |
| 328 | N | D | -2.3140 | |
| 329 | A | D | 0.0000 | |
| 330 | S | D | -0.3646 | |
| 331 | S | D | -0.0907 | |
| 332 | M | D | 0.5741 | |
| 333 | C | D | 0.0715 | |
| 334 | V | D | -0.6801 | |
| 335 | P | D | -0.8036 | |
| 336 | D | D | -1.8666 | |
| 337 | Q | D | -2.9041 | |
| 338 | D | D | -2.5007 | |
| 339 | T | D | -1.7956 | |
| 340 | A | D | -1.8766 | |
| 341 | I | D | -1.2960 | |
| 342 | R | D | -1.1255 | |
| 343 | V | D | 0.0000 | |
| 344 | F | D | 0.6293 | |
| 345 | A | D | 0.6287 | |
| 346 | I | D | 1.0986 | |
| 347 | P | D | 0.2811 | |
| 348 | P | D | -0.1674 | |
| 349 | S | D | 0.0079 | |
| 350 | F | D | 0.0000 | |
| 351 | A | D | 0.1826 | |
| 352 | S | D | 0.1133 | |
| 353 | I | D | 0.0000 | |
| 354 | F | D | 0.2693 | |
| 355 | L | D | 1.1546 | |
| 356 | T | D | -0.1501 | |
| 357 | K | D | -1.3584 | |
| 358 | S | D | -0.8945 | |
| 359 | T | D | 0.0000 | |
| 360 | K | D | -0.8890 | |
| 361 | L | D | 0.0000 | |
| 362 | T | D | 0.1570 | |
| 363 | C | D | 0.0000 | |
| 364 | L | D | 0.6649 | |
| 365 | V | D | 0.0000 | |
| 366 | T | D | -0.2432 | |
| 367 | D | D | -1.0031 | |
| 368 | L | D | 0.0000 | |
| 369 | T | D | -0.4162 | |
| 370 | T | D | -0.3895 | |
| 371 | Y | D | 0.1085 | |
| 372 | D | D | -1.3510 | |
| 373 | S | D | -0.8783 | |
| 374 | V | D | -0.2688 | |
| 375 | T | D | -0.1956 | |
| 376 | I | D | 0.0000 | |
| 377 | S | D | -0.8434 | |
| 378 | W | D | 0.0000 | |
| 379 | T | D | -1.9495 | |
| 380 | R | D | -2.7998 | |
| 381 | Q | D | -3.3073 | |
| 382 | N | D | -3.0804 | |
| 383 | G | D | -2.6629 | |
| 384 | E | D | -2.9439 | |
| 385 | A | D | -1.7261 | |
| 386 | V | D | -1.3987 | |
| 387 | K | D | -2.1330 | |
| 388 | T | D | -1.6162 | |
| 389 | H | D | -1.8517 | |
| 390 | T | D | -1.1451 | |
| 391 | N | D | -1.3113 | |
| 392 | I | D | -0.2341 | |
| 393 | S | D | -0.7953 | |
| 394 | E | D | -1.9663 | |
| 395 | S | D | -1.3685 | |
| 396 | H | D | -1.4619 | |
| 397 | P | D | -1.2725 | |
| 398 | N | D | -1.5311 | |
| 399 | A | D | -1.0067 | |
| 400 | T | D | 0.0000 | |
| 401 | F | D | -0.2631 | |
| 402 | S | D | 0.0000 | |
| 403 | A | D | 0.0000 | |
| 404 | V | D | 0.0721 | |
| 405 | G | D | 0.0000 | |
| 406 | E | D | -1.2431 | |
| 407 | A | D | 0.0000 | |
| 408 | S | D | -0.8868 | |
| 409 | I | D | -0.5925 | |
| 410 | C | D | -0.7233 | |
| 411 | E | D | -1.6557 | |
| 412 | D | D | -2.2681 | |
| 413 | D | D | -1.8628 | |
| 414 | W | D | 0.0000 | |
| 415 | N | D | -1.9071 | |
| 416 | S | D | -1.7955 | |
| 417 | G | D | 0.0000 | |
| 418 | E | D | -2.2552 | |
| 419 | R | D | -2.8729 | |
| 420 | F | D | 0.0000 | |
| 421 | T | D | -1.4161 | |
| 422 | C | D | 0.0000 | |
| 423 | T | D | -0.8222 | |
| 424 | V | D | 0.0000 | |
| 425 | T | D | -0.4833 | |
| 426 | H | D | 0.0000 | |
| 427 | T | D | -1.0870 | |
| 428 | D | D | -1.9438 | |
| 429 | L | D | -1.0151 | |
| 430 | P | D | -0.9569 | |
| 431 | S | D | -0.6942 | |
| 432 | P | D | -0.7163 | |
| 433 | L | D | -0.8832 | |
| 434 | K | D | -1.7773 | |
| 435 | Q | D | -0.9616 | |
| 436 | T | D | -1.0521 | |
| 437 | I | D | -0.4113 | |
| 438 | S | D | -1.4390 | |
| 439 | R | D | -1.5098 | |
| 440 | P | D | -1.2690 | |
| 441 | K | D | -1.9941 | |
| 442 | G | D | -0.8374 | |
| 443 | V | D | 0.1778 | |
| 444 | A | D | 0.1649 | |
| 445 | L | D | 0.2715 | |
| 446 | H | D | -0.7631 | |
| 447 | R | D | -1.4574 | |
| 448 | P | D | 0.0000 | |
| 449 | D | D | -0.7938 | |
| 450 | V | D | 0.0000 | |
| 451 | Y | D | 0.0000 | |
| 452 | L | D | 0.0000 | |
| 453 | L | D | 0.0000 | |
| 454 | P | D | -0.7665 | |
| 455 | P | D | 0.0000 | |
| 456 | A | D | 0.0000 | |
| 457 | R | D | -2.5239 | |
| 458 | E | D | -1.9245 | |
| 459 | Q | D | 0.0000 | |
| 460 | L | D | -2.0897 | |
| 461 | N | D | -2.0974 | |
| 462 | L | D | -1.0833 | |
| 463 | R | D | -2.9942 | |
| 464 | E | D | -2.8629 | |
| 465 | S | D | -1.8148 | |
| 466 | A | D | 0.0000 | |
| 467 | T | D | 0.0000 | |
| 468 | I | D | 0.0000 | |
| 469 | T | D | 0.0000 | |
| 470 | C | D | 0.0000 | |
| 471 | L | D | 0.0000 | |
| 472 | V | D | 0.0000 | |
| 473 | T | D | -0.4398 | |
| 474 | G | D | 0.0000 | |
| 475 | F | D | 0.0000 | |
| 476 | S | D | 0.0000 | |
| 477 | P | D | -0.3167 | |
| 478 | A | D | -0.3540 | |
| 479 | D | D | -0.7254 | |
| 480 | V | D | -0.1632 | |
| 481 | F | D | 0.2869 | |
| 482 | V | D | 0.0000 | |
| 483 | Q | D | -0.0767 | |
| 484 | W | D | 0.0000 | |
| 485 | M | D | -1.0628 | |
| 486 | Q | D | -1.6214 | |
| 487 | R | D | -2.5589 | |
| 488 | G | D | -1.7817 | |
| 489 | Q | D | -2.0982 | |
| 490 | P | D | -1.2128 | |
| 491 | L | D | -0.9880 | |
| 492 | S | D | -1.0263 | |
| 493 | P | D | -1.2025 | |
| 494 | E | D | -2.2062 | |
| 495 | K | D | -1.3553 | |
| 496 | Y | D | -0.6629 | |
| 497 | V | D | -0.1443 | |
| 498 | T | D | 0.2023 | |
| 499 | S | D | 0.0000 | |
| 500 | A | D | 0.0539 | |
| 501 | P | D | -0.1370 | |
| 502 | M | D | 0.0052 | |
| 503 | P | D | -0.6297 | |
| 504 | E | D | -1.1398 | |
| 505 | P | D | -1.5284 | |
| 506 | Q | D | -1.8382 | |
| 507 | A | D | -1.0297 | |
| 508 | P | D | -1.0248 | |
| 509 | G | D | -0.8861 | |
| 510 | R | D | -1.1557 | |
| 511 | Y | D | -0.4390 | |
| 512 | F | D | 0.0000 | |
| 513 | A | D | 0.0000 | |
| 514 | H | D | 0.0000 | |
| 515 | S | D | 0.0000 | |
| 516 | I | D | 0.0000 | |
| 517 | L | D | 0.0000 | |
| 518 | T | D | -0.4445 | |
| 519 | V | D | 0.0000 | |
| 520 | S | D | -1.8907 | |
| 521 | E | D | -2.6541 | |
| 522 | E | D | -3.2073 | |
| 523 | E | D | -2.1475 | |
| 524 | W | D | 0.0000 | |
| 525 | N | D | -2.3437 | |
| 526 | T | D | -1.5996 | |
| 527 | G | D | -1.5736 | |
| 528 | E | D | -1.5933 | |
| 529 | T | D | -1.1776 | |
| 530 | Y | D | 0.0000 | |
| 531 | T | D | -0.4252 | |
| 532 | C | D | 0.0000 | |
| 533 | V | D | 0.0000 | |
| 534 | V | D | 0.0000 | |
| 535 | A | D | 0.0000 | |
| 536 | H | D | 0.0000 | |
| 537 | E | D | -1.3496 | |
| 538 | A | D | -1.0015 | |
| 539 | L | D | 0.0000 | |
| 540 | P | D | -1.3605 | |
| 541 | N | D | -1.5527 | |
| 542 | R | D | -1.7158 | |
| 543 | V | D | -0.6472 | |
| 544 | T | D | -0.1255 | |
| 545 | E | D | 0.0000 | |
| 546 | R | D | 0.2243 | |
| 547 | T | D | 0.0000 | |
| 548 | V | D | 0.0000 | |
| 549 | D | D | -1.4125 | |
| 550 | K | D | -2.1486 | |
| 551 | S | D | -1.3872 | |
| 552 | T | D | -1.1571 | |
| 553 | G | D | -1.5484 | |
| 554 | K | D | -1.5949 | |
| 555 | P | D | 0.0000 | |
| 556 | T | D | 0.2204 | |
| 557 | L | D | 1.2555 | |
| 558 | Y | D | 1.3761 | |
| 559 | N | D | 0.3789 | |
| 560 | V | D | 1.8537 | |
| 561 | S | D | 1.1943 | |
| 562 | L | D | 1.5922 | |
| 563 | V | D | 1.8831 | |
| 564 | M | D | 0.3973 | |
| 565 | S | D | -0.2844 | |
| 566 | D | D | -1.5808 | |
| 567 | T | D | -1.2868 | |
| 568 | A | D | -0.9850 | |
| 569 | G | D | -0.5967 | |
| 570 | T | D | 0.4970 | |
| 571 | C | D | 0.9484 | |
| 572 | Y | D | 1.6038 |
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 | -0.6034 | 2.6993 | View | CSV | PDB |
| 4.5 | -0.658 | 2.6309 | View | CSV | PDB |
| 5.0 | -0.7228 | 2.5983 | View | CSV | PDB |
| 5.5 | -0.7869 | 2.5791 | View | CSV | PDB |
| 6.0 | -0.838 | 2.5624 | View | CSV | PDB |
| 6.5 | -0.8668 | 2.5526 | View | CSV | PDB |
| 7.0 | -0.8732 | 2.5523 | View | CSV | PDB |
| 7.5 | -0.8652 | 2.559 | View | CSV | PDB |
| 8.0 | -0.8495 | 2.5692 | View | CSV | PDB |
| 8.5 | -0.8273 | 2.5806 | View | CSV | PDB |
| 9.0 | -0.7971 | 2.5923 | View | CSV | PDB |