| Chain sequence(s) |
A: QEIVMTQSPGTLSLSPGERATLSCRASQSVSMNYLAWFQQKPGQAPRLLIYGASRRATGIPDRISGSGSGTDFTLTISRLEPADFAVYYCQQYGTSPRTFGQGAKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: QVQLQQSGAEVKTPGASVKVSCKASGYTFTSFGVSWIRQAPGQGLEWIGWISAYNGDTYYAQKFQARVTMTTDTSTTTAYMEMRSLRSDDTAVYYCAREPPLFYSSWSLDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK B: QEIVMTQSPGTLSLSPGERATLSCRASQSVSMNYLAWFQQKPGQAPRLLIYGASRRATGIPDRISGSGSGTDFTLTISRLEPADFAVYYCQQYGTSPRTFGQGAKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: QVQLQQSGAEVKTPGASVKVSCKASGYTFTSFGVSWIRQAPGQGLEWIGWISAYNGDTYYAQKFQARVTMTTDTSTTTAYMEMRSLRSDDTAVYYCAREPPLFYSSWSLDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c9e6023ec2dbb50/tmp/folded.pdb (00:19:41)
[INFO] Main: Simulation completed successfully. (00:26:38)
|
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 | Q | A | -1.9886 | |
| 2 | E | A | -2.1905 | |
| 3 | I | A | 0.0000 | |
| 4 | V | A | 0.4919 | |
| 5 | M | A | 0.0000 | |
| 6 | T | A | -0.7636 | |
| 7 | Q | A | 0.0000 | |
| 8 | S | A | -0.8498 | |
| 9 | P | A | -0.4777 | |
| 10 | G | A | -0.8263 | |
| 11 | T | A | -0.3550 | |
| 12 | L | A | -0.1878 | |
| 13 | S | A | -0.5755 | |
| 14 | L | A | -1.1273 | |
| 15 | S | A | -1.7323 | |
| 16 | P | A | -1.8406 | |
| 17 | G | A | -2.4938 | |
| 18 | E | A | -3.0390 | |
| 19 | R | A | -3.3581 | |
| 20 | A | A | 0.0000 | |
| 21 | T | A | -0.6432 | |
| 22 | L | A | 0.0000 | |
| 23 | S | A | -0.8864 | |
| 24 | C | A | 0.0000 | |
| 25 | R | A | -2.3144 | |
| 26 | A | A | 0.0000 | |
| 27 | S | A | -1.1166 | |
| 28 | Q | A | -1.8511 | |
| 29 | S | A | -1.2532 | |
| 30 | V | A | 0.0000 | |
| 31 | S | A | -0.0147 | |
| 32 | M | A | 0.6966 | |
| 33 | N | A | -0.2504 | |
| 34 | Y | A | 0.1245 | |
| 35 | L | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | W | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | Q | A | 0.0000 | |
| 40 | Q | A | 0.0000 | |
| 41 | K | A | -1.4403 | |
| 42 | P | A | -1.4444 | |
| 43 | G | A | -1.4343 | |
| 44 | Q | A | -2.2028 | |
| 45 | A | A | -1.6090 | |
| 46 | P | A | 0.0000 | |
| 47 | R | A | -2.1483 | |
| 48 | L | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | I | A | 0.0000 | |
| 51 | Y | A | 0.0000 | |
| 52 | G | A | -0.7567 | |
| 53 | A | A | 0.0000 | |
| 54 | S | A | -1.5999 | |
| 55 | R | A | -2.4735 | |
| 56 | R | A | -2.3411 | |
| 57 | A | A | 0.0000 | |
| 58 | T | A | -0.7492 | |
| 59 | G | A | -0.7923 | |
| 60 | I | A | -1.1967 | |
| 61 | P | A | -1.2558 | |
| 62 | D | A | -2.2053 | |
| 63 | R | A | -2.0395 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | -1.2444 | |
| 66 | G | A | -0.9256 | |
| 67 | S | A | -0.9516 | |
| 68 | G | A | -1.1632 | |
| 69 | S | A | -0.9898 | |
| 70 | G | A | -1.0732 | |
| 71 | T | A | -1.7752 | |
| 72 | D | A | -2.1714 | |
| 73 | F | A | 0.0000 | |
| 74 | T | A | -0.7718 | |
| 75 | L | A | 0.0000 | |
| 76 | T | A | -0.8393 | |
| 77 | I | A | 0.0000 | |
| 78 | S | A | -2.5913 | |
| 79 | R | A | -3.5025 | |
| 80 | L | A | 0.0000 | |
| 81 | E | A | -1.9928 | |
| 82 | P | A | -0.7242 | |
| 83 | A | A | -0.4472 | |
| 84 | D | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | V | A | -0.1629 | |
| 88 | Y | A | 0.0000 | |
| 89 | Y | A | 0.0000 | |
| 90 | C | A | 0.0000 | |
| 91 | Q | A | 0.0000 | |
| 92 | Q | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | G | A | -0.0670 | |
| 95 | T | A | -0.4634 | |
| 96 | S | A | -0.5425 | |
| 97 | P | A | -0.8363 | |
| 98 | R | A | -0.3109 | |
| 99 | T | A | -0.1762 | |
| 100 | F | A | 0.0217 | |
| 101 | G | A | 0.0000 | |
| 102 | Q | A | -1.3303 | |
| 103 | G | A | -0.9412 | |
| 104 | A | A | 0.0000 | |
| 105 | K | A | -0.4571 | |
| 106 | V | A | 0.0000 | |
| 107 | E | A | 0.0000 | |
| 108 | I | A | -0.8398 | |
| 109 | K | A | -1.6612 | |
| 110 | R | A | -1.1681 | |
| 111 | T | A | -0.1876 | |
| 112 | V | A | 0.3429 | |
| 113 | A | A | 0.0202 | |
| 114 | A | A | -0.0836 | |
| 115 | P | A | 0.0000 | |
| 116 | S | A | -0.1888 | |
| 117 | V | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | P | A | -0.4251 | |
| 122 | P | A | -0.7065 | |
| 123 | S | A | 0.0000 | |
| 124 | D | A | -2.3974 | |
| 125 | E | A | -2.9087 | |
| 126 | Q | A | 0.0000 | |
| 127 | L | A | -2.1015 | |
| 128 | K | A | -2.7912 | |
| 129 | S | A | -1.7351 | |
| 130 | G | A | -1.2765 | |
| 131 | T | A | -1.0965 | |
| 132 | A | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | C | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | N | A | 0.0000 | |
| 140 | N | A | -0.7906 | |
| 141 | F | A | 0.0000 | |
| 142 | Y | A | 0.0000 | |
| 143 | P | A | -1.6128 | |
| 144 | R | A | -2.6983 | |
| 145 | E | A | -3.0680 | |
| 146 | A | A | -2.2599 | |
| 147 | K | A | -2.4421 | |
| 148 | V | A | -1.0720 | |
| 149 | Q | A | -0.6621 | |
| 150 | W | A | 0.0000 | |
| 151 | K | A | -0.5598 | |
| 152 | V | A | 0.0000 | |
| 153 | D | A | -1.6228 | |
| 154 | N | A | -1.4224 | |
| 155 | A | A | -0.2282 | |
| 156 | L | A | 0.6990 | |
| 157 | Q | A | -0.2996 | |
| 158 | S | A | -0.6561 | |
| 159 | G | A | -1.2607 | |
| 160 | N | A | -1.5689 | |
| 161 | S | A | -1.3909 | |
| 162 | Q | A | -1.3138 | |
| 163 | E | A | -1.4943 | |
| 164 | S | A | -0.8099 | |
| 165 | V | A | -0.7126 | |
| 166 | T | A | -1.1491 | |
| 167 | E | A | -2.2280 | |
| 168 | Q | A | -1.8085 | |
| 169 | D | A | -1.8572 | |
| 170 | S | A | -1.6694 | |
| 171 | K | A | -2.1916 | |
| 172 | D | A | -1.6099 | |
| 173 | S | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | T | A | -0.6582 | |
| 181 | L | A | 0.0000 | |
| 182 | T | A | -0.7012 | |
| 183 | L | A | -0.8821 | |
| 184 | S | A | -1.1460 | |
| 185 | K | A | -2.0972 | |
| 186 | A | A | -1.9306 | |
| 187 | D | A | -2.8188 | |
| 188 | Y | A | 0.0000 | |
| 189 | E | A | -2.9945 | |
| 190 | K | A | -3.3205 | |
| 191 | H | A | -2.3931 | |
| 192 | K | A | -2.3270 | |
| 193 | V | A | -1.0625 | |
| 194 | Y | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | E | A | -0.5714 | |
| 198 | V | A | 0.0000 | |
| 199 | T | A | -1.1948 | |
| 200 | H | A | 0.0000 | |
| 201 | Q | A | -1.7115 | |
| 202 | G | A | -0.3967 | |
| 203 | L | A | -0.1876 | |
| 204 | S | A | -0.4271 | |
| 205 | S | A | -0.3728 | |
| 206 | P | A | -0.4568 | |
| 207 | V | A | 0.3198 | |
| 208 | T | A | -0.1830 | |
| 209 | K | A | -0.3987 | |
| 210 | S | A | -0.4282 | |
| 211 | F | A | 0.0000 | |
| 212 | N | A | -1.4229 | |
| 213 | R | A | -1.8888 | |
| 214 | G | A | -1.7215 | |
| 215 | E | A | -1.8810 | |
| 216 | C | A | -0.8716 | |
| 1 | Q | B | -1.9793 | |
| 2 | E | B | -2.1758 | |
| 3 | I | B | 0.0000 | |
| 4 | V | B | 0.4930 | |
| 5 | M | B | 0.0000 | |
| 6 | T | B | -0.7825 | |
| 7 | Q | B | 0.0000 | |
| 8 | S | B | -0.8792 | |
| 9 | P | B | -0.5037 | |
| 10 | G | B | -0.8525 | |
| 11 | T | B | -0.3896 | |
| 12 | L | B | -0.2155 | |
| 13 | S | B | -0.5832 | |
| 14 | L | B | -1.1065 | |
| 15 | S | B | -1.7084 | |
| 16 | P | B | -1.8266 | |
| 17 | G | B | -2.4459 | |
| 18 | E | B | -2.9556 | |
| 19 | R | B | -3.2870 | |
| 20 | A | B | 0.0000 | |
| 21 | T | B | -0.6590 | |
| 22 | L | B | 0.0000 | |
| 23 | S | B | -0.9403 | |
| 24 | C | B | 0.0000 | |
| 25 | R | B | -2.3510 | |
| 26 | A | B | 0.0000 | |
| 27 | S | B | -1.1263 | |
| 28 | Q | B | -1.8579 | |
| 29 | S | B | -1.2627 | |
| 30 | V | B | 0.0000 | |
| 31 | S | B | -0.0052 | |
| 32 | M | B | 0.6989 | |
| 33 | N | B | -0.2483 | |
| 34 | Y | B | 0.1109 | |
| 35 | L | B | 0.0000 | |
| 36 | A | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | F | B | 0.0000 | |
| 39 | Q | B | 0.0000 | |
| 40 | Q | B | 0.0000 | |
| 41 | K | B | -1.4896 | |
| 42 | P | B | -1.4946 | |
| 43 | G | B | -1.4608 | |
| 44 | Q | B | -2.1569 | |
| 45 | A | B | -1.4991 | |
| 46 | P | B | 0.0000 | |
| 47 | R | B | -1.6156 | |
| 48 | L | B | 0.0000 | |
| 49 | L | B | 0.0000 | |
| 50 | I | B | 0.0000 | |
| 51 | Y | B | 0.0000 | |
| 52 | G | B | -0.7802 | |
| 53 | A | B | 0.0000 | |
| 54 | S | B | -1.5955 | |
| 55 | R | B | -2.4686 | |
| 56 | R | B | -2.3003 | |
| 57 | A | B | 0.0000 | |
| 58 | T | B | -0.7429 | |
| 59 | G | B | -0.7803 | |
| 60 | I | B | -1.1137 | |
| 61 | P | B | -1.2383 | |
| 62 | D | B | -2.1725 | |
| 63 | R | B | -1.9925 | |
| 64 | I | B | 0.0000 | |
| 65 | S | B | -1.2148 | |
| 66 | G | B | -0.9227 | |
| 67 | S | B | -0.9575 | |
| 68 | G | B | -1.1700 | |
| 69 | S | B | -1.0010 | |
| 70 | G | B | -1.0869 | |
| 71 | T | B | -1.8079 | |
| 72 | D | B | -2.2516 | |
| 73 | F | B | 0.0000 | |
| 74 | T | B | -0.8050 | |
| 75 | L | B | 0.0000 | |
| 76 | T | B | -0.8198 | |
| 77 | I | B | 0.0000 | |
| 78 | S | B | -2.4509 | |
| 79 | R | B | -3.4241 | |
| 80 | L | B | 0.0000 | |
| 81 | E | B | -2.0157 | |
| 82 | P | B | -0.7503 | |
| 83 | A | B | -0.4786 | |
| 84 | D | B | 0.0000 | |
| 85 | F | B | 0.0000 | |
| 86 | A | B | 0.0000 | |
| 87 | V | B | -0.2228 | |
| 88 | Y | B | 0.0000 | |
| 89 | Y | B | 0.0000 | |
| 90 | C | B | 0.0000 | |
| 91 | Q | B | 0.0000 | |
| 92 | Q | B | 0.0000 | |
| 93 | Y | B | 0.0000 | |
| 94 | G | B | -0.0588 | |
| 95 | T | B | -0.4471 | |
| 96 | S | B | -0.5272 | |
| 97 | P | B | 0.0000 | |
| 98 | R | B | -0.3035 | |
| 99 | T | B | -0.1709 | |
| 100 | F | B | 0.0221 | |
| 101 | G | B | 0.0000 | |
| 102 | Q | B | -1.3296 | |
| 103 | G | B | -0.9578 | |
| 104 | A | B | 0.0000 | |
| 105 | K | B | -0.5542 | |
| 106 | V | B | 0.0000 | |
| 107 | E | B | 0.0000 | |
| 108 | I | B | -0.8562 | |
| 109 | K | B | -1.6532 | |
| 110 | R | B | -1.1793 | |
| 111 | T | B | -0.2274 | |
| 112 | V | B | 0.2357 | |
| 113 | A | B | -0.0274 | |
| 114 | A | B | -0.0980 | |
| 115 | P | B | 0.0000 | |
| 116 | S | B | -0.2066 | |
| 117 | V | B | 0.0000 | |
| 118 | F | B | 0.0000 | |
| 119 | I | B | 0.0000 | |
| 120 | F | B | 0.0000 | |
| 121 | P | B | -0.4399 | |
| 122 | P | B | -0.6008 | |
| 123 | S | B | -1.3683 | |
| 124 | D | B | -2.1076 | |
| 125 | E | B | -2.6218 | |
| 126 | Q | B | 0.0000 | |
| 127 | L | B | -1.9947 | |
| 128 | K | B | -2.6748 | |
| 129 | S | B | -1.6495 | |
| 130 | G | B | -1.2675 | |
| 131 | T | B | -1.0861 | |
| 132 | A | B | 0.0000 | |
| 133 | S | B | 0.0000 | |
| 134 | V | B | 0.0000 | |
| 135 | V | B | 0.0000 | |
| 136 | C | B | 0.0000 | |
| 137 | L | B | 0.0000 | |
| 138 | L | B | 0.0000 | |
| 139 | N | B | 0.0000 | |
| 140 | N | B | -0.7437 | |
| 141 | F | B | 0.0000 | |
| 142 | Y | B | 0.0000 | |
| 143 | P | B | -1.6988 | |
| 144 | R | B | -2.7770 | |
| 145 | E | B | -3.0956 | |
| 146 | A | B | -2.2648 | |
| 147 | K | B | -2.4282 | |
| 148 | V | B | -1.0982 | |
| 149 | Q | B | -0.6760 | |
| 150 | W | B | 0.0000 | |
| 151 | K | B | -0.5450 | |
| 152 | V | B | 0.0000 | |
| 153 | D | B | -1.5848 | |
| 154 | N | B | -1.4032 | |
| 155 | A | B | -0.2227 | |
| 156 | L | B | 0.6947 | |
| 157 | Q | B | -0.3108 | |
| 158 | S | B | -0.6520 | |
| 159 | G | B | -1.2421 | |
| 160 | N | B | -1.5235 | |
| 161 | S | B | -1.3806 | |
| 162 | Q | B | -1.3203 | |
| 163 | E | B | -1.5119 | |
| 164 | S | B | -0.8341 | |
| 165 | V | B | -0.7515 | |
| 166 | T | B | -1.1576 | |
| 167 | E | B | -2.2454 | |
| 168 | Q | B | -1.8400 | |
| 169 | D | B | -1.8788 | |
| 170 | S | B | -1.6939 | |
| 171 | K | B | -2.2110 | |
| 172 | D | B | -1.6307 | |
| 173 | S | B | 0.0000 | |
| 174 | T | B | 0.0000 | |
| 175 | Y | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | L | B | 0.0000 | |
| 178 | S | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | T | B | -0.6555 | |
| 181 | L | B | 0.0000 | |
| 182 | T | B | -0.6944 | |
| 183 | L | B | -0.9578 | |
| 184 | S | B | -1.2542 | |
| 185 | K | B | -2.3402 | |
| 186 | A | B | -2.1563 | |
| 187 | D | B | -2.9714 | |
| 188 | Y | B | 0.0000 | |
| 189 | E | B | -3.6639 | |
| 190 | K | B | -3.6123 | |
| 191 | H | B | -2.5402 | |
| 192 | K | B | -2.3771 | |
| 193 | V | B | -1.0184 | |
| 194 | Y | B | 0.0000 | |
| 195 | A | B | 0.0000 | |
| 196 | C | B | 0.0000 | |
| 197 | E | B | -0.7090 | |
| 198 | V | B | 0.0000 | |
| 199 | T | B | -1.2399 | |
| 200 | H | B | 0.0000 | |
| 201 | Q | B | -1.7366 | |
| 202 | G | B | -0.4283 | |
| 203 | L | B | -0.2463 | |
| 204 | S | B | -0.4590 | |
| 205 | S | B | -0.4324 | |
| 206 | P | B | -0.5673 | |
| 207 | V | B | 0.0132 | |
| 208 | T | B | -0.4343 | |
| 209 | K | B | -0.8105 | |
| 210 | S | B | -0.6405 | |
| 211 | F | B | 0.0000 | |
| 212 | N | B | -1.4046 | |
| 213 | R | B | -1.9719 | |
| 214 | G | B | -1.7995 | |
| 215 | E | B | -1.8746 | |
| 216 | C | B | -0.8907 | |
| 1 | Q | C | -1.4689 | |
| 2 | V | C | -1.0690 | |
| 3 | Q | C | -1.8848 | |
| 4 | L | C | 0.0000 | |
| 5 | Q | C | -2.1459 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -1.0397 | |
| 8 | G | C | -0.8578 | |
| 9 | A | C | -0.2116 | |
| 10 | E | C | -0.5792 | |
| 11 | V | C | 0.3050 | |
| 12 | K | C | -0.5748 | |
| 13 | T | C | -0.6774 | |
| 14 | P | C | -1.4795 | |
| 15 | G | C | -1.4642 | |
| 16 | A | C | -1.0188 | |
| 17 | S | C | -1.6323 | |
| 18 | V | C | 0.0000 | |
| 19 | K | C | -1.7428 | |
| 20 | V | C | 0.0000 | |
| 21 | S | C | -0.8414 | |
| 22 | C | C | 0.0000 | |
| 23 | K | C | -1.7060 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -1.1365 | |
| 26 | G | C | -0.9802 | |
| 27 | Y | C | -0.3401 | |
| 28 | T | C | -0.0417 | |
| 29 | F | C | 0.0000 | |
| 30 | T | C | 0.1874 | |
| 31 | S | C | 0.5070 | |
| 32 | F | C | 0.7962 | |
| 33 | G | C | 0.0000 | |
| 34 | V | C | 0.0000 | |
| 35 | S | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | I | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -0.5754 | |
| 40 | A | C | -0.9602 | |
| 41 | P | C | -0.9725 | |
| 42 | G | C | -1.2409 | |
| 43 | Q | C | -1.8660 | |
| 44 | G | C | -1.3179 | |
| 45 | L | C | 0.0000 | |
| 46 | E | C | -0.7751 | |
| 47 | W | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | G | C | 0.0000 | |
| 50 | W | C | -0.0420 | |
| 51 | I | C | 0.0000 | |
| 52 | S | C | 0.0000 | |
| 53 | A | C | 0.0000 | |
| 54 | Y | C | 0.4942 | |
| 55 | N | C | -1.3560 | |
| 56 | G | C | -1.5632 | |
| 57 | D | C | -2.0392 | |
| 58 | T | C | -0.8462 | |
| 59 | Y | C | -0.1610 | |
| 60 | Y | C | -0.6235 | |
| 61 | A | C | -1.4982 | |
| 62 | Q | C | -2.4847 | |
| 63 | K | C | -2.6041 | |
| 64 | F | C | 0.0000 | |
| 65 | Q | C | -1.9969 | |
| 66 | A | C | -1.3993 | |
| 67 | R | C | -1.6188 | |
| 68 | V | C | 0.0000 | |
| 69 | T | C | -0.8243 | |
| 70 | M | C | 0.0000 | |
| 71 | T | C | -0.4912 | |
| 72 | T | C | -0.4967 | |
| 73 | D | C | -0.8708 | |
| 74 | T | C | -0.3356 | |
| 75 | S | C | -0.4693 | |
| 76 | T | C | -0.5696 | |
| 77 | T | C | -0.6162 | |
| 78 | T | C | 0.0000 | |
| 79 | A | C | 0.0000 | |
| 80 | Y | C | -0.4965 | |
| 81 | M | C | 0.0000 | |
| 82 | E | C | -1.5853 | |
| 83 | M | C | 0.0000 | |
| 84 | R | C | -2.4541 | |
| 85 | S | C | -1.6585 | |
| 86 | L | C | 0.0000 | |
| 87 | R | C | -2.8564 | |
| 88 | S | C | -2.0767 | |
| 89 | D | C | -2.4913 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.8142 | |
| 92 | A | C | 0.0000 | |
| 93 | V | C | 0.3037 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | C | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | R | C | -0.3514 | |
| 99 | E | C | 0.0000 | |
| 100 | P | C | 0.0000 | |
| 101 | P | C | 0.0000 | |
| 102 | L | C | 3.0616 | |
| 103 | F | C | 3.2824 | |
| 104 | Y | C | 2.7443 | |
| 105 | S | C | 1.7820 | |
| 106 | S | C | 0.7458 | |
| 107 | W | C | 0.7496 | |
| 108 | S | C | 0.0000 | |
| 109 | L | C | 0.0000 | |
| 110 | D | C | -0.8370 | |
| 111 | N | C | -1.0830 | |
| 112 | W | C | -1.2033 | |
| 113 | G | C | 0.0000 | |
| 114 | Q | C | -1.8694 | |
| 115 | G | C | -0.8897 | |
| 116 | T | C | 0.0000 | |
| 117 | L | C | 0.2308 | |
| 118 | V | C | 0.0000 | |
| 119 | T | C | 0.0000 | |
| 120 | V | C | 0.0000 | |
| 121 | S | C | -0.7207 | |
| 122 | S | C | -0.3656 | |
| 123 | A | C | -0.3107 | |
| 124 | S | C | -0.4471 | |
| 125 | T | C | -0.5421 | |
| 126 | K | C | -1.1468 | |
| 127 | G | C | -1.3875 | |
| 128 | P | C | 0.0000 | |
| 129 | S | C | -0.4383 | |
| 130 | V | C | 0.0000 | |
| 131 | F | C | 0.0000 | |
| 132 | P | C | -0.9733 | |
| 133 | L | C | 0.0000 | |
| 134 | A | C | -0.9845 | |
| 135 | P | C | 0.0000 | |
| 136 | S | C | -0.7959 | |
| 137 | S | C | -0.5790 | |
| 138 | K | C | -0.7462 | |
| 139 | S | C | 0.0000 | |
| 140 | T | C | -0.6101 | |
| 141 | S | C | -0.6616 | |
| 142 | G | C | -0.7977 | |
| 143 | G | C | -0.8691 | |
| 144 | T | C | -0.6078 | |
| 145 | A | C | 0.0000 | |
| 146 | A | C | 0.0000 | |
| 147 | L | C | 0.0000 | |
| 148 | G | C | 0.0000 | |
| 149 | C | C | 0.0000 | |
| 150 | L | C | 0.0000 | |
| 151 | V | C | 0.0000 | |
| 152 | K | C | 0.0000 | |
| 153 | D | C | -0.3318 | |
| 154 | Y | C | 0.0000 | |
| 155 | F | C | 0.0000 | |
| 156 | P | C | 0.0000 | |
| 157 | E | C | -0.4156 | |
| 158 | P | C | -0.8558 | |
| 159 | V | C | -0.8082 | |
| 160 | T | C | -0.7089 | |
| 161 | V | C | -0.0455 | |
| 162 | S | C | -0.2873 | |
| 163 | W | C | 0.0000 | |
| 164 | N | C | -0.4970 | |
| 165 | S | C | -0.5573 | |
| 166 | G | C | -0.5252 | |
| 167 | A | C | -0.2121 | |
| 168 | L | C | -0.0178 | |
| 169 | T | C | -0.1507 | |
| 170 | S | C | -0.1626 | |
| 171 | G | C | -0.2255 | |
| 172 | V | C | 0.1892 | |
| 173 | H | C | -0.2893 | |
| 174 | T | C | 0.0397 | |
| 175 | F | C | 0.0000 | |
| 176 | P | C | -0.3017 | |
| 177 | A | C | 0.2149 | |
| 178 | V | C | 0.5284 | |
| 179 | L | C | 1.1930 | |
| 180 | Q | C | 0.3134 | |
| 181 | S | C | -0.0391 | |
| 182 | S | C | -0.1643 | |
| 183 | G | C | 0.0601 | |
| 184 | L | C | 0.1186 | |
| 185 | Y | C | 0.4062 | |
| 186 | S | C | 0.0000 | |
| 187 | L | C | 0.0000 | |
| 188 | S | C | 0.0000 | |
| 189 | S | C | 0.0000 | |
| 190 | V | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | T | C | -0.1247 | |
| 193 | V | C | 0.0000 | |
| 194 | P | C | -0.5736 | |
| 195 | S | C | -0.5781 | |
| 196 | S | C | -0.5340 | |
| 197 | S | C | -0.4230 | |
| 198 | L | C | -0.5593 | |
| 199 | G | C | -0.7615 | |
| 200 | T | C | -0.5785 | |
| 201 | Q | C | -0.8385 | |
| 202 | T | C | 0.0000 | |
| 203 | Y | C | 0.0000 | |
| 204 | I | C | 0.0000 | |
| 205 | C | C | 0.0000 | |
| 206 | N | C | -0.8026 | |
| 207 | V | C | 0.0000 | |
| 208 | N | C | -2.0971 | |
| 209 | H | C | 0.0000 | |
| 210 | K | C | -2.8244 | |
| 211 | P | C | -1.6565 | |
| 212 | S | C | -1.8616 | |
| 213 | N | C | -2.6314 | |
| 214 | T | C | -2.2529 | |
| 215 | K | C | -2.6110 | |
| 216 | V | C | -0.9470 | |
| 217 | D | C | 0.0000 | |
| 218 | K | C | -0.7996 | |
| 219 | R | C | -0.9365 | |
| 220 | V | C | 0.0000 | |
| 221 | E | C | -2.0434 | |
| 222 | P | C | -1.5943 | |
| 223 | K | C | -2.1644 | |
| 224 | S | C | -1.9765 | |
| 225 | C | C | -1.4531 | |
| 226 | D | C | -2.9398 | |
| 227 | K | C | -2.6627 | |
| 228 | T | C | -2.2629 | |
| 229 | H | C | -1.9121 | |
| 230 | T | C | -1.3870 | |
| 231 | C | C | -0.2312 | |
| 232 | P | C | -0.5721 | |
| 233 | P | C | -0.1280 | |
| 234 | C | C | -0.0252 | |
| 235 | P | C | -0.4010 | |
| 236 | A | C | -0.4393 | |
| 237 | P | C | -0.5495 | |
| 238 | E | C | -1.2302 | |
| 239 | L | C | 0.0902 | |
| 240 | L | C | 0.5214 | |
| 241 | G | C | -0.3233 | |
| 242 | G | C | 0.0000 | |
| 243 | P | C | 0.0000 | |
| 244 | S | C | -0.2535 | |
| 245 | V | C | 0.0000 | |
| 246 | F | C | 1.1199 | |
| 247 | L | C | 0.9604 | |
| 248 | F | C | 1.1402 | |
| 249 | P | C | -0.2221 | |
| 250 | P | C | 0.0000 | |
| 251 | K | C | -2.2631 | |
| 252 | P | C | -1.4849 | |
| 253 | K | C | -1.1884 | |
| 254 | D | C | -1.2675 | |
| 255 | T | C | 0.0000 | |
| 256 | L | C | 0.0000 | |
| 257 | M | C | 0.2945 | |
| 258 | I | C | 1.4543 | |
| 259 | S | C | 0.1616 | |
| 260 | R | C | -1.1222 | |
| 261 | T | C | -0.7126 | |
| 262 | P | C | 0.0000 | |
| 263 | E | C | -1.2610 | |
| 264 | V | C | 0.0000 | |
| 265 | T | C | 0.1643 | |
| 266 | C | C | 0.0000 | |
| 267 | V | C | 0.0000 | |
| 268 | V | C | 0.0000 | |
| 269 | V | C | 0.0000 | |
| 270 | D | C | -1.1985 | |
| 271 | V | C | 0.0000 | |
| 272 | S | C | -1.9202 | |
| 273 | H | C | -2.4880 | |
| 274 | E | C | -3.1187 | |
| 275 | D | C | -2.5154 | |
| 276 | P | C | -2.5905 | |
| 277 | E | C | -3.0586 | |
| 278 | V | C | -1.9823 | |
| 279 | K | C | -2.2647 | |
| 280 | F | C | -1.1505 | |
| 281 | N | C | -1.1008 | |
| 282 | W | C | 0.0000 | |
| 283 | Y | C | -0.5826 | |
| 284 | V | C | -0.8445 | |
| 285 | D | C | -2.1147 | |
| 286 | G | C | -0.8735 | |
| 287 | V | C | 0.7190 | |
| 288 | E | C | -0.6398 | |
| 289 | V | C | -0.5312 | |
| 290 | H | C | -1.8838 | |
| 291 | N | C | -2.1770 | |
| 292 | A | C | -1.8841 | |
| 293 | K | C | -2.3459 | |
| 294 | T | C | -1.7342 | |
| 295 | K | C | -1.9063 | |
| 296 | P | C | -2.0192 | |
| 297 | R | C | -3.0091 | |
| 298 | E | C | -3.1650 | |
| 299 | E | C | -3.0551 | |
| 300 | Q | C | -1.4126 | |
| 301 | Y | C | 0.2965 | |
| 302 | N | C | -0.5995 | |
| 303 | S | C | -0.9288 | |
| 304 | T | C | -1.6836 | |
| 305 | Y | C | -2.1987 | |
| 306 | R | C | -2.1673 | |
| 307 | V | C | 0.0000 | |
| 308 | V | C | -0.7841 | |
| 309 | S | C | 0.0000 | |
| 310 | V | C | 0.0000 | |
| 311 | L | C | 0.0000 | |
| 312 | T | C | -0.7686 | |
| 313 | V | C | 0.0000 | |
| 314 | L | C | 0.3739 | |
| 315 | H | C | -0.3170 | |
| 316 | Q | C | -1.2721 | |
| 317 | D | C | -1.3964 | |
| 318 | W | C | 0.0000 | |
| 319 | L | C | -1.0125 | |
| 320 | N | C | -2.1215 | |
| 321 | G | C | -2.0787 | |
| 322 | K | C | -2.2380 | |
| 323 | E | C | -2.3523 | |
| 324 | Y | C | 0.0000 | |
| 325 | K | C | -1.4027 | |
| 326 | C | C | 0.0000 | |
| 327 | K | C | -1.2263 | |
| 328 | V | C | 0.0000 | |
| 329 | S | C | -1.4504 | |
| 330 | N | C | 0.0000 | |
| 331 | K | C | -2.5986 | |
| 332 | A | C | 0.0000 | |
| 333 | L | C | 0.0000 | |
| 334 | P | C | -0.7940 | |
| 335 | A | C | -0.4658 | |
| 336 | P | C | -0.8584 | |
| 337 | I | C | -0.5976 | |
| 338 | E | C | -1.2930 | |
| 339 | K | C | -0.7801 | |
| 340 | T | C | -0.7814 | |
| 341 | I | C | -0.1739 | |
| 342 | S | C | -1.1768 | |
| 343 | K | C | -1.3135 | |
| 344 | A | C | -1.2050 | |
| 345 | K | C | -2.3499 | |
| 346 | G | C | -1.9781 | |
| 347 | Q | C | -1.9739 | |
| 348 | P | C | -1.8122 | |
| 349 | R | C | -2.2088 | |
| 350 | E | C | -2.5802 | |
| 351 | P | C | 0.0000 | |
| 352 | Q | C | -1.3573 | |
| 353 | V | C | 0.0000 | |
| 354 | Y | C | 0.0000 | |
| 355 | T | C | -0.5982 | |
| 356 | L | C | 0.0000 | |
| 357 | P | C | -0.3238 | |
| 358 | P | C | 0.0000 | |
| 359 | S | C | 0.0000 | |
| 360 | R | C | -2.6995 | |
| 361 | E | C | -2.8980 | |
| 362 | E | C | 0.0000 | |
| 363 | M | C | -1.9603 | |
| 364 | T | C | -1.7186 | |
| 365 | K | C | -2.2906 | |
| 366 | N | C | -2.5330 | |
| 367 | Q | C | -2.3031 | |
| 368 | V | C | 0.0000 | |
| 369 | S | C | 0.0000 | |
| 370 | L | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | C | C | 0.0000 | |
| 373 | L | C | 0.0000 | |
| 374 | V | C | 0.0000 | |
| 375 | K | C | -0.5339 | |
| 376 | G | C | -1.0392 | |
| 377 | F | C | 0.0000 | |
| 378 | Y | C | -1.1214 | |
| 379 | P | C | 0.0000 | |
| 380 | S | C | -0.2664 | |
| 381 | D | C | -1.3151 | |
| 382 | I | C | 0.0000 | |
| 383 | A | C | 0.0000 | |
| 384 | V | C | 0.0000 | |
| 385 | E | C | -1.0715 | |
| 386 | W | C | 0.0000 | |
| 387 | E | C | -1.7323 | |
| 388 | S | C | 0.0000 | |
| 389 | N | C | -1.8863 | |
| 390 | G | C | -1.7543 | |
| 391 | Q | C | -2.2395 | |
| 392 | P | C | -1.8276 | |
| 393 | E | C | 0.0000 | |
| 394 | N | C | -1.8937 | |
| 395 | N | C | -1.2554 | |
| 396 | Y | C | -0.8414 | |
| 397 | K | C | -0.6880 | |
| 398 | T | C | -0.2303 | |
| 399 | T | C | 0.0000 | |
| 400 | P | C | -0.0514 | |
| 401 | P | C | 0.1825 | |
| 402 | V | C | 0.7323 | |
| 403 | L | C | 1.1175 | |
| 404 | D | C | -0.2891 | |
| 405 | S | C | -1.0183 | |
| 406 | D | C | -1.8517 | |
| 407 | G | C | -0.8155 | |
| 408 | S | C | 0.0000 | |
| 409 | F | C | 0.2510 | |
| 410 | F | C | 0.0000 | |
| 411 | L | C | 0.0000 | |
| 412 | Y | C | 0.0000 | |
| 413 | S | C | 0.0000 | |
| 414 | K | C | 0.0000 | |
| 415 | L | C | 0.0000 | |
| 416 | T | C | -0.8240 | |
| 417 | V | C | 0.0000 | |
| 418 | D | C | -2.4623 | |
| 419 | K | C | -2.5534 | |
| 420 | S | C | -2.1474 | |
| 421 | R | C | -1.9686 | |
| 422 | W | C | 0.0000 | |
| 423 | Q | C | -2.1104 | |
| 424 | Q | C | -2.0449 | |
| 425 | G | C | -1.2129 | |
| 426 | N | C | -0.9512 | |
| 427 | V | C | -0.0344 | |
| 428 | F | C | 0.0000 | |
| 429 | S | C | 0.0000 | |
| 430 | C | C | 0.0000 | |
| 431 | S | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | M | C | 0.0000 | |
| 434 | H | C | 0.0000 | |
| 435 | E | C | -1.1228 | |
| 436 | A | C | -1.5232 | |
| 437 | L | C | -1.4347 | |
| 438 | H | C | -1.7466 | |
| 439 | N | C | -1.6590 | |
| 440 | H | C | -1.1637 | |
| 441 | Y | C | -0.4634 | |
| 442 | T | C | -0.7794 | |
| 443 | Q | C | -1.2466 | |
| 444 | K | C | -1.0834 | |
| 445 | S | C | -0.5537 | |
| 446 | L | C | 0.0000 | |
| 447 | S | C | -0.1877 | |
| 448 | L | C | -0.2899 | |
| 449 | S | C | -0.5708 | |
| 450 | P | C | -0.9455 | |
| 451 | G | C | -1.4177 | |
| 452 | K | C | -2.0257 | |
| 1 | Q | D | -1.4462 | |
| 2 | V | D | -1.0186 | |
| 3 | Q | D | -2.0030 | |
| 4 | L | D | 0.0000 | |
| 5 | Q | D | -1.9013 | |
| 6 | Q | D | 0.0000 | |
| 7 | S | D | -0.9979 | |
| 8 | G | D | -0.8785 | |
| 9 | A | D | -0.3567 | |
| 10 | E | D | -0.7623 | |
| 11 | V | D | 0.1606 | |
| 12 | K | D | -0.6359 | |
| 13 | T | D | -0.7076 | |
| 14 | P | D | -1.5579 | |
| 15 | G | D | -1.5516 | |
| 16 | A | D | -1.1063 | |
| 17 | S | D | -1.7429 | |
| 18 | V | D | 0.0000 | |
| 19 | K | D | -1.8309 | |
| 20 | V | D | 0.0000 | |
| 21 | S | D | -0.7587 | |
| 22 | C | D | 0.0000 | |
| 23 | K | D | -1.4864 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -1.1350 | |
| 26 | G | D | -0.9887 | |
| 27 | Y | D | -0.3398 | |
| 28 | T | D | -0.0287 | |
| 29 | F | D | 0.0000 | |
| 30 | T | D | 0.1717 | |
| 31 | S | D | 0.5025 | |
| 32 | F | D | 0.7847 | |
| 33 | G | D | 0.0000 | |
| 34 | V | D | 0.0000 | |
| 35 | S | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | I | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | -0.5958 | |
| 40 | A | D | -0.9771 | |
| 41 | P | D | -0.9864 | |
| 42 | G | D | -1.2526 | |
| 43 | Q | D | -1.8633 | |
| 44 | G | D | -1.3090 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -0.7881 | |
| 47 | W | D | 0.0000 | |
| 48 | I | D | 0.0000 | |
| 49 | G | D | 0.0000 | |
| 50 | W | D | -0.0622 | |
| 51 | I | D | 0.0000 | |
| 52 | S | D | 0.0000 | |
| 53 | A | D | 0.0000 | |
| 54 | Y | D | 0.4904 | |
| 55 | N | D | -1.3570 | |
| 56 | G | D | -1.5753 | |
| 57 | D | D | -2.0524 | |
| 58 | T | D | -0.8776 | |
| 59 | Y | D | -0.2093 | |
| 60 | Y | D | -0.6359 | |
| 61 | A | D | -1.4941 | |
| 62 | Q | D | -2.5101 | |
| 63 | K | D | -2.5962 | |
| 64 | F | D | 0.0000 | |
| 65 | Q | D | -1.9703 | |
| 66 | A | D | -1.4315 | |
| 67 | R | D | -1.8287 | |
| 68 | V | D | 0.0000 | |
| 69 | T | D | -0.8447 | |
| 70 | M | D | 0.0000 | |
| 71 | T | D | -0.4923 | |
| 72 | T | D | -0.5200 | |
| 73 | D | D | -0.9445 | |
| 74 | T | D | -0.3833 | |
| 75 | S | D | -0.4961 | |
| 76 | T | D | -0.5578 | |
| 77 | T | D | -0.5985 | |
| 78 | T | D | 0.0000 | |
| 79 | A | D | 0.0000 | |
| 80 | Y | D | -0.4729 | |
| 81 | M | D | 0.0000 | |
| 82 | E | D | -1.5767 | |
| 83 | M | D | 0.0000 | |
| 84 | R | D | -2.7194 | |
| 85 | S | D | -1.8428 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -3.0268 | |
| 88 | S | D | -2.1400 | |
| 89 | D | D | -2.5350 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.8719 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.2334 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | R | D | -0.3925 | |
| 99 | E | D | 0.0000 | |
| 100 | P | D | 0.0000 | |
| 101 | P | D | 0.0000 | |
| 102 | L | D | 3.0477 | |
| 103 | F | D | 3.2728 | |
| 104 | Y | D | 2.7289 | |
| 105 | S | D | 1.7522 | |
| 106 | S | D | 0.6918 | |
| 107 | W | D | 0.6720 | |
| 108 | S | D | 0.0000 | |
| 109 | L | D | 0.0000 | |
| 110 | D | D | -0.7816 | |
| 111 | N | D | -1.0643 | |
| 112 | W | D | -1.1200 | |
| 113 | G | D | 0.0000 | |
| 114 | Q | D | -1.8611 | |
| 115 | G | D | -0.8830 | |
| 116 | T | D | 0.0000 | |
| 117 | L | D | 0.0530 | |
| 118 | V | D | 0.0000 | |
| 119 | T | D | 0.0000 | |
| 120 | V | D | 0.0000 | |
| 121 | S | D | -0.7632 | |
| 122 | S | D | -0.3925 | |
| 123 | A | D | -0.3207 | |
| 124 | S | D | -0.4541 | |
| 125 | T | D | -0.5380 | |
| 126 | K | D | -1.1623 | |
| 127 | G | D | -1.2630 | |
| 128 | P | D | 0.0000 | |
| 129 | S | D | -0.4369 | |
| 130 | V | D | 0.0000 | |
| 131 | F | D | 0.0000 | |
| 132 | P | D | -0.9404 | |
| 133 | L | D | 0.0000 | |
| 134 | A | D | -1.0059 | |
| 135 | P | D | 0.0000 | |
| 136 | S | D | -0.9100 | |
| 137 | S | D | -0.8124 | |
| 138 | K | D | -1.1271 | |
| 139 | S | D | 0.0000 | |
| 140 | T | D | -0.7208 | |
| 141 | S | D | -0.7336 | |
| 142 | G | D | -0.8091 | |
| 143 | G | D | -0.8773 | |
| 144 | T | D | -0.6152 | |
| 145 | A | D | 0.0000 | |
| 146 | A | D | 0.0000 | |
| 147 | L | D | 0.0000 | |
| 148 | G | D | 0.0000 | |
| 149 | C | D | 0.0000 | |
| 150 | L | D | 0.0000 | |
| 151 | V | D | 0.0000 | |
| 152 | K | D | 0.0000 | |
| 153 | D | D | -0.3926 | |
| 154 | Y | D | 0.0000 | |
| 155 | F | D | 0.0000 | |
| 156 | P | D | 0.0000 | |
| 157 | E | D | -0.4037 | |
| 158 | P | D | -0.7731 | |
| 159 | V | D | -0.6694 | |
| 160 | T | D | -0.5364 | |
| 161 | V | D | 0.0090 | |
| 162 | S | D | -0.2560 | |
| 163 | W | D | 0.0000 | |
| 164 | N | D | -0.5202 | |
| 165 | S | D | -0.5593 | |
| 166 | G | D | -0.5225 | |
| 167 | A | D | -0.2151 | |
| 168 | L | D | -0.0228 | |
| 169 | T | D | -0.1391 | |
| 170 | S | D | -0.1476 | |
| 171 | G | D | -0.1945 | |
| 172 | V | D | 0.2390 | |
| 173 | H | D | 0.0000 | |
| 174 | T | D | -0.1019 | |
| 175 | F | D | 0.0000 | |
| 176 | P | D | -0.3486 | |
| 177 | A | D | 0.1841 | |
| 178 | V | D | 0.4846 | |
| 179 | L | D | 1.1390 | |
| 180 | Q | D | 0.2650 | |
| 181 | S | D | -0.0598 | |
| 182 | S | D | -0.1924 | |
| 183 | G | D | 0.0170 | |
| 184 | L | D | 0.0726 | |
| 185 | Y | D | 0.0000 | |
| 186 | S | D | 0.0000 | |
| 187 | L | D | 0.0000 | |
| 188 | S | D | 0.0000 | |
| 189 | S | D | 0.0000 | |
| 190 | V | D | 0.0000 | |
| 191 | V | D | 0.0000 | |
| 192 | T | D | -0.1111 | |
| 193 | V | D | 0.0000 | |
| 194 | P | D | -0.6111 | |
| 195 | S | D | -0.5844 | |
| 196 | S | D | -0.5764 | |
| 197 | S | D | -0.5328 | |
| 198 | L | D | -0.6770 | |
| 199 | G | D | -0.8619 | |
| 200 | T | D | -0.7744 | |
| 201 | Q | D | -1.2289 | |
| 202 | T | D | -0.9888 | |
| 203 | Y | D | 0.0000 | |
| 204 | I | D | 0.0000 | |
| 205 | C | D | 0.0000 | |
| 206 | N | D | -0.6154 | |
| 207 | V | D | 0.0000 | |
| 208 | N | D | -1.5612 | |
| 209 | H | D | 0.0000 | |
| 210 | K | D | -2.6230 | |
| 211 | P | D | -1.5265 | |
| 212 | S | D | -1.7235 | |
| 213 | N | D | -2.3940 | |
| 214 | T | D | -1.8043 | |
| 215 | K | D | -1.7116 | |
| 216 | V | D | -0.5721 | |
| 217 | D | D | 0.0000 | |
| 218 | K | D | -0.7670 | |
| 219 | R | D | -1.0558 | |
| 220 | V | D | 0.0000 | |
| 221 | E | D | -2.1556 | |
| 222 | P | D | -1.6034 | |
| 223 | K | D | -2.1494 | |
| 224 | S | D | -1.9352 | |
| 225 | C | D | -1.3828 | |
| 226 | D | D | -2.7405 | |
| 227 | K | D | -2.7998 | |
| 228 | T | D | -2.0939 | |
| 229 | H | D | -1.7018 | |
| 230 | T | D | -1.4071 | |
| 231 | C | D | -0.2890 | |
| 232 | P | D | -0.8263 | |
| 233 | P | D | -0.1426 | |
| 234 | C | D | 0.1493 | |
| 235 | P | D | -0.3945 | |
| 236 | A | D | -0.3922 | |
| 237 | P | D | -0.5365 | |
| 238 | E | D | -1.2458 | |
| 239 | L | D | 0.0399 | |
| 240 | L | D | 0.3082 | |
| 241 | G | D | -0.3112 | |
| 242 | G | D | -0.7046 | |
| 243 | P | D | 0.0000 | |
| 244 | S | D | -0.3302 | |
| 245 | V | D | 0.0000 | |
| 246 | F | D | 1.0907 | |
| 247 | L | D | 0.9448 | |
| 248 | F | D | 1.1515 | |
| 249 | P | D | -0.1950 | |
| 250 | P | D | 0.0000 | |
| 251 | K | D | -2.1898 | |
| 252 | P | D | -1.3781 | |
| 253 | K | D | -1.1871 | |
| 254 | D | D | 0.0000 | |
| 255 | T | D | 0.0000 | |
| 256 | L | D | 0.0000 | |
| 257 | M | D | 0.3108 | |
| 258 | I | D | 1.4364 | |
| 259 | S | D | 0.0750 | |
| 260 | R | D | -1.2090 | |
| 261 | T | D | -0.7424 | |
| 262 | P | D | 0.0000 | |
| 263 | E | D | -1.2200 | |
| 264 | V | D | 0.0000 | |
| 265 | T | D | 0.1810 | |
| 266 | C | D | 0.0000 | |
| 267 | V | D | 0.0000 | |
| 268 | V | D | 0.0000 | |
| 269 | V | D | 0.0000 | |
| 270 | D | D | -1.3082 | |
| 271 | V | D | 0.0000 | |
| 272 | S | D | -2.0422 | |
| 273 | H | D | -2.5793 | |
| 274 | E | D | -3.0296 | |
| 275 | D | D | -2.7137 | |
| 276 | P | D | -2.7595 | |
| 277 | E | D | -3.1469 | |
| 278 | V | D | -2.0250 | |
| 279 | K | D | -2.2461 | |
| 280 | F | D | -1.1674 | |
| 281 | N | D | -1.1266 | |
| 282 | W | D | 0.0000 | |
| 283 | Y | D | -0.6311 | |
| 284 | V | D | -0.8562 | |
| 285 | D | D | -2.0736 | |
| 286 | G | D | -0.8796 | |
| 287 | V | D | 0.5603 | |
| 288 | E | D | -0.7467 | |
| 289 | V | D | -0.5987 | |
| 290 | H | D | -1.9109 | |
| 291 | N | D | -2.1911 | |
| 292 | A | D | -1.8727 | |
| 293 | K | D | -2.3343 | |
| 294 | T | D | -1.7473 | |
| 295 | K | D | -1.9565 | |
| 296 | P | D | -2.1950 | |
| 297 | R | D | -3.4057 | |
| 298 | E | D | -3.4865 | |
| 299 | E | D | -3.2519 | |
| 300 | Q | D | -1.5324 | |
| 301 | Y | D | 0.2766 | |
| 302 | N | D | -0.5938 | |
| 303 | S | D | -0.9578 | |
| 304 | T | D | -1.8103 | |
| 305 | Y | D | -2.5144 | |
| 306 | R | D | -2.4345 | |
| 307 | V | D | 0.0000 | |
| 308 | V | D | -0.8833 | |
| 309 | S | D | 0.0000 | |
| 310 | V | D | 0.0000 | |
| 311 | L | D | 0.0000 | |
| 312 | T | D | -0.7719 | |
| 313 | V | D | 0.0000 | |
| 314 | L | D | 0.3185 | |
| 315 | H | D | -0.3292 | |
| 316 | Q | D | -1.2901 | |
| 317 | D | D | -1.4137 | |
| 318 | W | D | 0.0000 | |
| 319 | L | D | -1.0283 | |
| 320 | N | D | -2.1122 | |
| 321 | G | D | -2.0317 | |
| 322 | K | D | -2.2123 | |
| 323 | E | D | -2.0855 | |
| 324 | Y | D | 0.0000 | |
| 325 | K | D | -1.4273 | |
| 326 | C | D | 0.0000 | |
| 327 | K | D | -1.3759 | |
| 328 | V | D | 0.0000 | |
| 329 | S | D | -1.4937 | |
| 330 | N | D | 0.0000 | |
| 331 | K | D | -2.8113 | |
| 332 | A | D | -2.0354 | |
| 333 | L | D | 0.0000 | |
| 334 | P | D | -0.7339 | |
| 335 | A | D | -0.4895 | |
| 336 | P | D | -0.9724 | |
| 337 | I | D | -0.7693 | |
| 338 | E | D | -1.5837 | |
| 339 | K | D | -0.9513 | |
| 340 | T | D | -0.8114 | |
| 341 | I | D | -0.1370 | |
| 342 | S | D | -1.1157 | |
| 343 | K | D | -1.3058 | |
| 344 | A | D | -1.1904 | |
| 345 | K | D | -2.3416 | |
| 346 | G | D | -1.9507 | |
| 347 | Q | D | -1.9191 | |
| 348 | P | D | -1.7088 | |
| 349 | R | D | -1.9832 | |
| 350 | E | D | -2.4681 | |
| 351 | P | D | 0.0000 | |
| 352 | Q | D | -1.3953 | |
| 353 | V | D | 0.0000 | |
| 354 | Y | D | 0.0000 | |
| 355 | T | D | -0.6919 | |
| 356 | L | D | 0.0000 | |
| 357 | P | D | -0.3863 | |
| 358 | P | D | -0.7771 | |
| 359 | S | D | -1.3411 | |
| 360 | R | D | -2.4096 | |
| 361 | E | D | -2.2691 | |
| 362 | E | D | 0.0000 | |
| 363 | M | D | -1.7179 | |
| 364 | T | D | -1.4911 | |
| 365 | K | D | -2.1067 | |
| 366 | N | D | -2.4777 | |
| 367 | Q | D | -2.2743 | |
| 368 | V | D | 0.0000 | |
| 369 | S | D | 0.0000 | |
| 370 | L | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | C | D | 0.0000 | |
| 373 | L | D | 0.0000 | |
| 374 | V | D | 0.0000 | |
| 375 | K | D | -0.5025 | |
| 376 | G | D | -0.9759 | |
| 377 | F | D | 0.0000 | |
| 378 | Y | D | -1.0085 | |
| 379 | P | D | 0.0000 | |
| 380 | S | D | -0.1918 | |
| 381 | D | D | -1.2000 | |
| 382 | I | D | -0.6412 | |
| 383 | A | D | 0.0000 | |
| 384 | V | D | 0.0000 | |
| 385 | E | D | -1.5234 | |
| 386 | W | D | 0.0000 | |
| 387 | E | D | -1.8334 | |
| 388 | S | D | 0.0000 | |
| 389 | N | D | -1.8258 | |
| 390 | G | D | -1.7383 | |
| 391 | Q | D | -2.2839 | |
| 392 | P | D | -1.9924 | |
| 393 | E | D | -1.8717 | |
| 394 | N | D | -2.0298 | |
| 395 | N | D | -1.2728 | |
| 396 | Y | D | -0.9094 | |
| 397 | K | D | -0.6391 | |
| 398 | T | D | -0.2428 | |
| 399 | T | D | 0.0000 | |
| 400 | P | D | -0.0176 | |
| 401 | P | D | 0.2109 | |
| 402 | V | D | 0.6999 | |
| 403 | L | D | 1.0859 | |
| 404 | D | D | -0.3294 | |
| 405 | S | D | -1.0530 | |
| 406 | D | D | -1.8718 | |
| 407 | G | D | -0.8604 | |
| 408 | S | D | 0.0000 | |
| 409 | F | D | 0.2903 | |
| 410 | F | D | 0.0000 | |
| 411 | L | D | 0.0000 | |
| 412 | Y | D | 0.0000 | |
| 413 | S | D | 0.0000 | |
| 414 | K | D | 0.0000 | |
| 415 | L | D | 0.0000 | |
| 416 | T | D | -0.8290 | |
| 417 | V | D | 0.0000 | |
| 418 | D | D | -2.4616 | |
| 419 | K | D | -2.5293 | |
| 420 | S | D | -2.2015 | |
| 421 | R | D | -1.9859 | |
| 422 | W | D | 0.0000 | |
| 423 | Q | D | -2.3317 | |
| 424 | Q | D | -2.0939 | |
| 425 | G | D | -1.1494 | |
| 426 | N | D | -0.8020 | |
| 427 | V | D | 0.3456 | |
| 428 | F | D | 0.0000 | |
| 429 | S | D | -0.9732 | |
| 430 | C | D | 0.0000 | |
| 431 | S | D | 0.0000 | |
| 432 | V | D | 0.0000 | |
| 433 | M | D | 0.0000 | |
| 434 | H | D | 0.0000 | |
| 435 | E | D | -1.0733 | |
| 436 | A | D | -1.4646 | |
| 437 | L | D | -1.4065 | |
| 438 | H | D | -1.7495 | |
| 439 | N | D | -1.6620 | |
| 440 | H | D | -1.1478 | |
| 441 | Y | D | -0.4253 | |
| 442 | T | D | -0.7751 | |
| 443 | Q | D | -1.2738 | |
| 444 | K | D | -1.1009 | |
| 445 | S | D | -0.4739 | |
| 446 | L | D | 0.0000 | |
| 447 | S | D | -0.0047 | |
| 448 | L | D | -0.2707 | |
| 449 | S | D | -0.5538 | |
| 450 | P | D | -0.9425 | |
| 451 | G | D | -1.4160 | |
| 452 | K | D | -2.0269 |
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 | -0.6414 | 5.5705 | View | CSV | PDB |
| 4.5 | -0.6883 | 5.5705 | View | CSV | PDB |
| 5.0 | -0.7434 | 5.5705 | View | CSV | PDB |
| 5.5 | -0.7956 | 5.5705 | View | CSV | PDB |
| 6.0 | -0.8326 | 5.5705 | View | CSV | PDB |
| 6.5 | -0.8457 | 5.5704 | View | CSV | PDB |
| 7.0 | -0.8355 | 5.5703 | View | CSV | PDB |
| 7.5 | -0.8101 | 5.5701 | View | CSV | PDB |
| 8.0 | -0.7767 | 5.5692 | View | CSV | PDB |
| 8.5 | -0.7375 | 5.5665 | View | CSV | PDB |
| 9.0 | -0.6929 | 5.5582 | 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