| Chain sequence(s) |
A: KGEELFTGVVPILVELDGDVNGHKFSVSSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFGGGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISSFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGI
C: QVQLVESGGALVQPGGSLRLSCAASGFPVNRYSMRWYRQAPGKEREWVAGMSSAGDRSSYEDSVKGRFTISRDDARNTVYLQMNSLKPEDTAVYYCNVNVGFEYWGQGTQVTVS B: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFGGGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGI D: QVQLVESGGALVQPGGSLRLSCAASGFPVNRYSMRWYRQAPGKEREWVAGMSSAGDRSSYEDSVKGRFTISRDDARNTVYLQMNSLKPEDTAVYYCNVNVGFEYWGQGTQVTVSS input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:52)
[INFO] Main: Simulation completed successfully. (00:14:58)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 3 | K | A | -2.2280 | |
| 4 | G | A | 0.0000 | |
| 5 | E | A | -1.9228 | |
| 6 | E | A | -2.2281 | |
| 7 | L | A | -0.7876 | |
| 8 | F | A | 0.0000 | |
| 9 | T | A | -0.3168 | |
| 10 | G | A | 0.5108 | |
| 11 | V | A | 1.3108 | |
| 12 | V | A | 0.0000 | |
| 13 | P | A | -1.0365 | |
| 14 | I | A | 0.0000 | |
| 15 | L | A | -1.1409 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | -2.0064 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -3.3113 | |
| 20 | G | A | 0.0000 | |
| 21 | D | A | -2.4282 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -1.7462 | |
| 24 | G | A | -1.8512 | |
| 25 | H | A | -2.2034 | |
| 26 | K | A | -2.8778 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.7010 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -1.0571 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -2.2884 | |
| 33 | G | A | -1.7616 | |
| 34 | E | A | -1.6569 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | 0.2422 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | 0.4208 | |
| 39 | Y | A | 1.1316 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | -0.0991 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -0.7435 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -1.0788 | |
| 46 | F | A | 0.0000 | |
| 47 | I | A | -1.0661 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.7743 | |
| 50 | T | A | -1.1750 | |
| 51 | G | A | -1.7118 | |
| 52 | K | A | -2.2861 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | -1.2104 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | -0.4460 | |
| 57 | W | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | 0.0001 | |
| 63 | T | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 68 | V | A | -0.0105 | |
| 69 | Q | A | -0.1339 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | R | A | -0.8008 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -1.7750 | |
| 76 | D | A | -3.0636 | |
| 77 | H | A | -2.2977 | |
| 78 | M | A | 0.0000 | |
| 79 | K | A | -3.1777 | |
| 80 | R | A | -3.0461 | |
| 81 | H | A | -1.6984 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | S | A | -1.1653 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | P | A | -1.6408 | |
| 90 | E | A | -2.1945 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | -0.5855 | |
| 94 | Q | A | 0.0000 | |
| 95 | E | A | -2.0282 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -0.8707 | |
| 98 | I | A | 0.0000 | |
| 99 | S | A | -1.1175 | |
| 100 | F | A | 0.0000 | |
| 101 | K | A | -2.6655 | |
| 102 | D | A | -2.9617 | |
| 103 | D | A | -2.5347 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | -1.1802 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | -2.2487 | |
| 108 | T | A | 0.0000 | |
| 109 | R | A | -2.9678 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | -1.6705 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -1.2867 | |
| 114 | F | A | -1.3181 | |
| 115 | E | A | -1.5060 | |
| 116 | G | A | -1.6302 | |
| 117 | D | A | -2.0979 | |
| 118 | T | A | -1.4003 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | R | A | -2.2741 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | -3.8858 | |
| 125 | L | A | 0.0000 | |
| 126 | K | A | -2.8145 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | -0.6717 | |
| 129 | D | A | -1.6108 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -2.7059 | |
| 132 | E | A | -3.6631 | |
| 133 | D | A | -3.2296 | |
| 134 | G | A | -2.3863 | |
| 135 | N | A | -2.0191 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -1.6539 | |
| 138 | G | A | -2.1396 | |
| 139 | H | A | -2.1124 | |
| 140 | K | A | -2.2186 | |
| 141 | L | A | 0.0000 | |
| 142 | E | A | -0.9914 | |
| 143 | Y | A | -0.3146 | |
| 144 | N | A | -0.0051 | |
| 145 | Y | A | 0.0000 | |
| 146 | N | A | 0.0000 | |
| 147 | S | A | -0.4224 | |
| 148 | H | A | 0.0000 | |
| 149 | N | A | -1.3869 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | -0.2587 | |
| 152 | I | A | 0.0000 | |
| 153 | T | A | -1.1584 | |
| 154 | A | A | -1.6989 | |
| 155 | D | A | 0.0000 | |
| 156 | K | A | -3.1973 | |
| 157 | Q | A | -3.1268 | |
| 158 | K | A | -3.3983 | |
| 159 | N | A | -2.9002 | |
| 160 | G | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | -1.4644 | |
| 163 | A | A | 0.0000 | |
| 164 | N | A | -1.2162 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -1.5195 | |
| 167 | I | A | 0.0000 | |
| 168 | R | A | -0.4400 | |
| 169 | H | A | 0.0000 | |
| 170 | N | A | 0.0000 | |
| 171 | I | A | 0.0000 | |
| 172 | E | A | -2.2860 | |
| 173 | D | A | -2.3593 | |
| 174 | G | A | 0.0000 | |
| 175 | S | A | -0.6578 | |
| 176 | V | A | -0.4291 | |
| 177 | Q | A | 0.0000 | |
| 178 | L | A | -0.9912 | |
| 179 | A | A | 0.0000 | |
| 180 | D | A | -1.2554 | |
| 181 | H | A | 0.0000 | |
| 182 | Y | A | -0.2953 | |
| 183 | Q | A | 0.0000 | |
| 184 | Q | A | -1.1674 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | -0.7429 | |
| 187 | P | A | -0.9212 | |
| 188 | I | A | -0.3350 | |
| 189 | G | A | -1.3170 | |
| 190 | D | A | -2.1927 | |
| 191 | G | A | -1.4248 | |
| 192 | P | A | -0.9204 | |
| 193 | V | A | -0.5510 | |
| 194 | L | A | -0.3442 | |
| 195 | L | A | -0.7041 | |
| 196 | P | A | 0.0000 | |
| 197 | D | A | -2.0635 | |
| 198 | N | A | -1.3507 | |
| 199 | H | A | 0.0000 | |
| 200 | Y | A | 0.0381 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | -0.5137 | |
| 203 | T | A | -0.4684 | |
| 204 | Q | A | -0.6072 | |
| 205 | S | A | 0.0000 | |
| 206 | A | A | 0.1926 | |
| 207 | L | A | 0.0073 | |
| 208 | S | A | -0.6716 | |
| 209 | K | A | -1.5873 | |
| 210 | D | A | -1.9516 | |
| 211 | P | A | -1.6991 | |
| 212 | N | A | -2.3965 | |
| 213 | E | A | -2.5836 | |
| 214 | K | A | -3.1018 | |
| 215 | R | A | -3.2908 | |
| 216 | D | A | -2.2150 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | V | A | -0.3309 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | 0.3389 | |
| 222 | E | A | 0.0662 | |
| 223 | F | A | 0.4027 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -0.2183 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | 0.0726 | |
| 228 | G | A | 0.3349 | |
| 229 | I | A | 1.1662 | |
| 3 | K | B | -2.2848 | |
| 4 | G | B | 0.0000 | |
| 5 | E | B | -2.0292 | |
| 6 | E | B | -2.3055 | |
| 7 | L | B | -0.6732 | |
| 8 | F | B | 0.0000 | |
| 9 | T | B | -0.2867 | |
| 10 | G | B | 0.5816 | |
| 11 | V | B | 1.4391 | |
| 12 | V | B | 0.0000 | |
| 13 | P | B | -0.8277 | |
| 14 | I | B | 0.0000 | |
| 15 | L | B | -1.0338 | |
| 16 | V | B | 0.0000 | |
| 17 | E | B | -2.1451 | |
| 18 | L | B | 0.0000 | |
| 19 | D | B | -3.3413 | |
| 20 | G | B | 0.0000 | |
| 21 | D | B | -2.3460 | |
| 22 | V | B | 0.0000 | |
| 23 | N | B | -1.7620 | |
| 24 | G | B | -1.4279 | |
| 25 | H | B | -1.8524 | |
| 26 | K | B | -2.7234 | |
| 27 | F | B | 0.0000 | |
| 28 | S | B | -1.8301 | |
| 29 | V | B | 0.0000 | |
| 30 | S | B | -1.1553 | |
| 31 | G | B | 0.0000 | |
| 32 | E | B | -2.2516 | |
| 33 | G | B | -1.4628 | |
| 34 | E | B | -1.2977 | |
| 35 | G | B | 0.0000 | |
| 36 | D | B | 0.0000 | |
| 37 | A | B | 0.0000 | |
| 38 | T | B | 0.3203 | |
| 39 | Y | B | 0.9820 | |
| 40 | G | B | 0.0000 | |
| 41 | K | B | -0.0578 | |
| 42 | L | B | 0.0000 | |
| 43 | T | B | -0.6600 | |
| 44 | L | B | 0.0000 | |
| 45 | K | B | -1.3122 | |
| 46 | F | B | 0.0000 | |
| 47 | I | B | -1.1885 | |
| 48 | C | B | 0.0000 | |
| 49 | T | B | -0.9837 | |
| 50 | T | B | -1.4000 | |
| 51 | G | B | -1.7338 | |
| 52 | K | B | -2.2849 | |
| 53 | L | B | 0.0000 | |
| 54 | P | B | -1.2016 | |
| 55 | V | B | 0.0000 | |
| 56 | P | B | 0.0000 | |
| 57 | W | B | 0.0000 | |
| 58 | P | B | 0.0000 | |
| 59 | T | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | V | B | 0.0000 | |
| 62 | T | B | -0.0009 | |
| 63 | T | B | 0.0000 | |
| 64 | F | B | 0.0000 | |
| 68 | V | B | -0.0293 | |
| 69 | Q | B | -0.1534 | |
| 70 | C | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | S | B | 0.0000 | |
| 73 | R | B | -1.0357 | |
| 74 | Y | B | 0.0000 | |
| 75 | P | B | -1.9014 | |
| 76 | D | B | -3.0796 | |
| 77 | H | B | -2.2941 | |
| 78 | M | B | 0.0000 | |
| 79 | K | B | -3.1216 | |
| 80 | R | B | -2.9667 | |
| 81 | H | B | -1.6169 | |
| 82 | D | B | 0.0000 | |
| 83 | F | B | 0.0000 | |
| 84 | F | B | 0.0000 | |
| 85 | K | B | 0.0000 | |
| 86 | S | B | -1.1422 | |
| 87 | A | B | 0.0000 | |
| 88 | M | B | 0.0000 | |
| 89 | P | B | -1.3770 | |
| 90 | E | B | -1.8957 | |
| 91 | G | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | V | B | -0.5235 | |
| 94 | Q | B | 0.0000 | |
| 95 | E | B | -2.2286 | |
| 96 | R | B | 0.0000 | |
| 97 | T | B | -0.8703 | |
| 98 | I | B | 0.0000 | |
| 99 | S | B | -0.8933 | |
| 100 | F | B | 0.0000 | |
| 101 | K | B | -2.0814 | |
| 102 | D | B | -2.9903 | |
| 103 | D | B | -2.5996 | |
| 104 | G | B | 0.0000 | |
| 105 | N | B | -1.2200 | |
| 106 | Y | B | 0.0000 | |
| 107 | K | B | -2.2820 | |
| 108 | T | B | 0.0000 | |
| 109 | R | B | -3.2959 | |
| 110 | A | B | 0.0000 | |
| 111 | E | B | -1.6950 | |
| 112 | V | B | 0.0000 | |
| 113 | K | B | -1.1881 | |
| 114 | F | B | -1.2916 | |
| 115 | E | B | -1.5882 | |
| 116 | G | B | -1.7087 | |
| 117 | D | B | -2.1075 | |
| 118 | T | B | -1.3486 | |
| 119 | L | B | 0.0000 | |
| 120 | V | B | 0.0000 | |
| 121 | N | B | 0.0000 | |
| 122 | R | B | -2.5096 | |
| 123 | I | B | 0.0000 | |
| 124 | E | B | -4.0139 | |
| 125 | L | B | 0.0000 | |
| 126 | K | B | -2.7648 | |
| 127 | G | B | 0.0000 | |
| 128 | I | B | -0.8507 | |
| 129 | D | B | -2.0853 | |
| 130 | F | B | 0.0000 | |
| 131 | K | B | -3.2958 | |
| 132 | E | B | -3.5546 | |
| 133 | D | B | -3.3108 | |
| 134 | G | B | -2.4601 | |
| 135 | N | B | -2.1148 | |
| 136 | I | B | 0.0000 | |
| 137 | L | B | -1.8364 | |
| 138 | G | B | -2.1791 | |
| 139 | H | B | -2.1194 | |
| 140 | K | B | -2.1337 | |
| 141 | L | B | 0.0000 | |
| 142 | E | B | -1.0228 | |
| 143 | Y | B | -0.4020 | |
| 144 | N | B | -0.1087 | |
| 145 | Y | B | 0.0000 | |
| 146 | N | B | 0.0000 | |
| 147 | S | B | -0.4841 | |
| 148 | H | B | 0.0000 | |
| 149 | N | B | -1.3121 | |
| 150 | V | B | 0.0000 | |
| 151 | Y | B | -0.0798 | |
| 152 | I | B | 0.0000 | |
| 153 | T | B | -1.2204 | |
| 154 | A | B | -1.7714 | |
| 155 | D | B | -2.2296 | |
| 156 | K | B | -3.0597 | |
| 157 | Q | B | -2.8561 | |
| 158 | K | B | -2.8403 | |
| 159 | N | B | -2.4643 | |
| 160 | G | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | K | B | -1.6437 | |
| 163 | A | B | 0.0000 | |
| 164 | N | B | -0.8710 | |
| 165 | F | B | 0.0000 | |
| 166 | K | B | -1.2641 | |
| 167 | I | B | 0.0000 | |
| 168 | R | B | -0.4653 | |
| 169 | H | B | 0.0000 | |
| 170 | N | B | 0.0000 | |
| 171 | I | B | 0.0000 | |
| 172 | E | B | -2.2203 | |
| 173 | D | B | -1.9662 | |
| 174 | G | B | 0.0000 | |
| 175 | S | B | -0.5504 | |
| 176 | V | B | -0.2682 | |
| 177 | Q | B | 0.0000 | |
| 178 | L | B | -0.6560 | |
| 179 | A | B | 0.0000 | |
| 180 | D | B | -0.8408 | |
| 181 | H | B | 0.0000 | |
| 182 | Y | B | -0.1060 | |
| 183 | Q | B | 0.0000 | |
| 184 | Q | B | -1.2489 | |
| 185 | N | B | 0.0000 | |
| 186 | T | B | -0.5368 | |
| 187 | P | B | -0.5720 | |
| 188 | I | B | 0.0978 | |
| 189 | G | B | -1.1701 | |
| 190 | D | B | -2.1031 | |
| 191 | G | B | -1.3702 | |
| 192 | P | B | -0.7055 | |
| 193 | V | B | -0.2873 | |
| 194 | L | B | -0.0883 | |
| 195 | L | B | -0.4978 | |
| 196 | P | B | 0.0000 | |
| 197 | D | B | -2.0367 | |
| 198 | N | B | -1.4125 | |
| 199 | H | B | 0.0000 | |
| 200 | Y | B | 0.1574 | |
| 201 | L | B | 0.0000 | |
| 202 | S | B | -0.5153 | |
| 203 | T | B | -0.5794 | |
| 204 | Q | B | -0.6424 | |
| 205 | S | B | 0.0000 | |
| 206 | A | B | 0.0999 | |
| 207 | L | B | 0.0000 | |
| 208 | S | B | -0.7952 | |
| 209 | K | B | -1.9149 | |
| 210 | D | B | -2.1686 | |
| 211 | P | B | -1.8162 | |
| 212 | N | B | -2.4463 | |
| 213 | E | B | -2.7144 | |
| 214 | K | B | -3.3160 | |
| 215 | R | B | -3.3840 | |
| 216 | D | B | -2.2974 | |
| 217 | H | B | 0.0000 | |
| 218 | M | B | 0.0000 | |
| 219 | V | B | -0.4658 | |
| 220 | L | B | 0.0000 | |
| 221 | L | B | 0.3529 | |
| 222 | E | B | 0.0365 | |
| 223 | F | B | 0.3103 | |
| 224 | V | B | 0.0000 | |
| 225 | T | B | -0.3142 | |
| 226 | A | B | 0.0000 | |
| 227 | A | B | 0.2186 | |
| 228 | G | B | 0.4211 | |
| 229 | I | B | 1.2914 | |
| 1 | Q | C | -1.5056 | |
| 2 | V | C | -0.8733 | |
| 3 | Q | C | -1.1968 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 0.3589 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.7164 | |
| 8 | G | C | -0.9114 | |
| 9 | G | C | -0.6781 | |
| 10 | A | C | 0.0410 | |
| 11 | L | C | 1.0093 | |
| 12 | V | C | 0.0000 | |
| 13 | Q | C | -1.5198 | |
| 14 | P | C | -1.8958 | |
| 15 | G | C | -1.5738 | |
| 16 | G | C | -1.0760 | |
| 17 | S | C | -1.2391 | |
| 18 | L | C | -1.0016 | |
| 19 | R | C | -2.2731 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.5548 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.2536 | |
| 24 | A | C | -0.5274 | |
| 25 | S | C | -0.8042 | |
| 26 | G | C | -0.9620 | |
| 27 | F | C | 0.0000 | |
| 28 | P | C | -1.4240 | |
| 29 | V | C | 0.0000 | |
| 30 | N | C | -2.2464 | |
| 31 | R | C | -2.2247 | |
| 32 | Y | C | -0.8252 | |
| 33 | S | C | 0.0000 | |
| 34 | M | C | 0.0000 | |
| 35 | R | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | Y | C | 0.0000 | |
| 38 | R | C | -1.2653 | |
| 39 | Q | C | -1.9329 | |
| 40 | A | C | -1.8714 | |
| 41 | P | C | -1.3957 | |
| 42 | G | C | -1.9327 | |
| 43 | K | C | -3.2452 | |
| 44 | E | C | -3.4219 | |
| 45 | R | C | -2.4991 | |
| 46 | E | C | -2.0391 | |
| 47 | W | C | 0.0000 | |
| 48 | V | C | 0.0000 | |
| 49 | A | C | 0.0000 | |
| 50 | G | C | 0.0000 | |
| 51 | M | C | -1.2402 | |
| 52 | S | C | 0.0000 | |
| 52A | S | C | -1.6527 | |
| 53 | A | C | -1.6515 | |
| 54 | G | C | -2.1514 | |
| 55 | D | C | -2.8049 | |
| 56 | R | C | -3.0963 | |
| 57 | S | C | -1.6585 | |
| 58 | S | C | -1.2140 | |
| 59 | Y | C | -1.2086 | |
| 60 | E | C | -1.9344 | |
| 61 | D | C | -2.8416 | |
| 62 | S | C | -1.9990 | |
| 63 | V | C | 0.0000 | |
| 64 | K | C | -2.8032 | |
| 65 | G | C | -1.8085 | |
| 66 | R | C | -1.4953 | |
| 67 | F | C | 0.0000 | |
| 68 | T | C | -1.0515 | |
| 69 | I | C | 0.0000 | |
| 70 | S | C | -0.6932 | |
| 71 | R | C | -1.5085 | |
| 72 | D | C | -2.4143 | |
| 73 | D | C | -2.9256 | |
| 74 | A | C | -1.9819 | |
| 75 | R | C | -2.6559 | |
| 76 | N | C | -2.1264 | |
| 77 | T | C | 0.0000 | |
| 78 | V | C | 0.0000 | |
| 79 | Y | C | -0.8176 | |
| 80 | L | C | 0.0000 | |
| 81 | Q | C | -1.7189 | |
| 82 | M | C | 0.0000 | |
| 82A | N | C | -1.5899 | |
| 82B | S | C | -1.3783 | |
| 82C | L | C | 0.0000 | |
| 83 | K | C | -2.8983 | |
| 84 | P | C | -2.2692 | |
| 85 | E | C | -2.5744 | |
| 86 | D | C | 0.0000 | |
| 87 | T | C | -1.0635 | |
| 88 | A | C | 0.0000 | |
| 89 | V | C | -0.5840 | |
| 90 | Y | C | 0.0000 | |
| 91 | Y | C | -0.2855 | |
| 92 | C | C | 0.0000 | |
| 93 | N | C | 0.0000 | |
| 94 | V | C | 0.0000 | |
| 95 | N | C | 0.0000 | |
| 96 | V | C | 0.1917 | |
| 97 | G | C | -0.0091 | |
| 98 | F | C | 0.2871 | |
| 101 | E | C | 0.0000 | |
| 102 | Y | C | 0.3439 | |
| 103 | W | C | 0.2123 | |
| 104 | G | C | -0.2643 | |
| 105 | Q | C | -0.9378 | |
| 106 | G | C | 0.0000 | |
| 107 | T | C | 0.0000 | |
| 108 | Q | C | -0.9967 | |
| 109 | V | C | 0.0000 | |
| 110 | T | C | -0.4094 | |
| 111 | V | C | 0.0000 | |
| 112 | S | C | -0.9460 | |
| 1 | Q | D | -1.4704 | |
| 2 | V | D | -0.8473 | |
| 3 | Q | D | -1.2789 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.2448 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.7622 | |
| 8 | G | D | -1.1538 | |
| 9 | G | D | -0.7280 | |
| 10 | A | D | 0.1610 | |
| 11 | L | D | 1.1746 | |
| 12 | V | D | 0.0864 | |
| 13 | Q | D | -1.3125 | |
| 14 | P | D | -1.7017 | |
| 15 | G | D | -1.3703 | |
| 16 | G | D | -0.8951 | |
| 17 | S | D | -1.0367 | |
| 18 | L | D | -0.8122 | |
| 19 | R | D | -2.1833 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.5998 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.3510 | |
| 24 | A | D | -0.5344 | |
| 25 | S | D | -0.9137 | |
| 26 | G | D | -0.9484 | |
| 27 | F | D | 0.0000 | |
| 28 | P | D | -1.3380 | |
| 29 | V | D | 0.0000 | |
| 30 | N | D | -1.8483 | |
| 31 | R | D | -2.0670 | |
| 32 | Y | D | -0.8140 | |
| 33 | S | D | 0.0000 | |
| 34 | M | D | 0.0000 | |
| 35 | R | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | Y | D | 0.0000 | |
| 38 | R | D | -1.3092 | |
| 39 | Q | D | -2.0649 | |
| 40 | A | D | -2.0456 | |
| 41 | P | D | -1.4300 | |
| 42 | G | D | -1.9449 | |
| 43 | K | D | -3.3155 | |
| 44 | E | D | -3.4688 | |
| 45 | R | D | -2.6324 | |
| 46 | E | D | -2.0725 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | A | D | 0.0000 | |
| 50 | G | D | 0.0000 | |
| 51 | M | D | -0.9089 | |
| 52 | S | D | 0.0000 | |
| 52A | S | D | -1.4813 | |
| 53 | A | D | -1.4281 | |
| 54 | G | D | -1.8564 | |
| 55 | D | D | -2.3112 | |
| 56 | R | D | -2.0559 | |
| 57 | S | D | -1.1517 | |
| 58 | S | D | -0.6528 | |
| 59 | Y | D | -0.7869 | |
| 60 | E | D | -1.3161 | |
| 61 | D | D | -2.2250 | |
| 62 | S | D | -1.5954 | |
| 63 | V | D | 0.0000 | |
| 64 | K | D | -2.5752 | |
| 65 | G | D | -1.6425 | |
| 66 | R | D | -1.4198 | |
| 67 | F | D | 0.0000 | |
| 68 | T | D | -0.9838 | |
| 69 | I | D | 0.0000 | |
| 70 | S | D | -0.6345 | |
| 71 | R | D | -1.4114 | |
| 72 | D | D | -2.2390 | |
| 73 | D | D | -2.9982 | |
| 74 | A | D | -1.9977 | |
| 75 | R | D | -2.6972 | |
| 76 | N | D | -2.0693 | |
| 77 | T | D | 0.0000 | |
| 78 | V | D | 0.0000 | |
| 79 | Y | D | -0.7075 | |
| 80 | L | D | 0.0000 | |
| 81 | Q | D | -1.5570 | |
| 82 | M | D | 0.0000 | |
| 82A | N | D | -1.4265 | |
| 82B | S | D | -1.1817 | |
| 82C | L | D | 0.0000 | |
| 83 | K | D | -2.1080 | |
| 84 | P | D | -1.7952 | |
| 85 | E | D | -2.2631 | |
| 86 | D | D | 0.0000 | |
| 87 | T | D | -0.8260 | |
| 88 | A | D | 0.0000 | |
| 89 | V | D | -0.5489 | |
| 90 | Y | D | 0.0000 | |
| 91 | Y | D | -0.2912 | |
| 92 | C | D | 0.0000 | |
| 93 | N | D | 0.0000 | |
| 94 | V | D | 0.0000 | |
| 95 | N | D | 0.2364 | |
| 96 | V | D | 0.0621 | |
| 97 | G | D | -0.0826 | |
| 98 | F | D | 0.2009 | |
| 101 | E | D | 0.0000 | |
| 102 | Y | D | 0.3811 | |
| 103 | W | D | 0.1680 | |
| 104 | G | D | -0.3362 | |
| 105 | Q | D | -1.0091 | |
| 106 | G | D | 0.0000 | |
| 107 | T | D | 0.0000 | |
| 108 | Q | D | -0.9749 | |
| 109 | V | D | 0.0000 | |
| 110 | T | D | -0.1809 | |
| 111 | V | D | 0.0000 | |
| 112 | S | D | -0.8240 | |
| 113 | S | D | -0.4958 |
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