| Chain sequence(s) |
A: AIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEGTQTAKLKVTKGGPLPFAWDILSPQFAAASKAYVKHPADIPDYLKLSFPEGFKWERVMNFEDGGVVTVTQDSSLQDGEFIYKVKLRGTNFPSDGPVMQKKTMGWEASSERMYPEDGALKGEIKQRLKLKDGGHYDAEVKTTYKAKKPVQLPGAYNVNIKLDITSHNEDYTIVEQYERAEGRHS
C: QVQLVQSGGGLVAGGSLRLSCAASGRTFSDIAVGWFRQTPGKEREFVAAISWSGLIINYGDSVEDRFTISRDNAKSAVYLQMNSLKPEDTAVYYCAARIGMNYYYAREIEYPYWGQGTQVTV B: AIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEGTQTAKLKVTKGGPLPFAWDILSPQFAAASKAYVKHPADIPDYLKLSFPEGFKWERVMNFEDGGVVTVTQDSSLQDGEFIYKVKLRGTNFPSDGPVMQKKTMGWEASSERMYPEDGALKGEIKQRLKLKDGGHYDAEVKTTYKAKKPVQLPGAYNVNIKLDITSHNEDYTIVEQYERAEGRH D: QVQLVQSGGGLVAGGSLRLSCAASGRTFSDIAVGWFRQTPGKEREFVAAISWSGLIINYGDSVEDRFTISRDNAKSAVYLQMNSLKPEDTAVYYCAARIGMNYYYAREIEYPYWGQGTQVTV 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 (00:16:17)
[INFO] Main: Simulation completed successfully. (00:16:24)
|
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 | |
| 6 | A | A | 0.0359 | |
| 7 | I | A | 0.7376 | |
| 8 | I | A | 0.0000 | |
| 9 | K | A | -2.2730 | |
| 10 | E | A | -2.4860 | |
| 11 | F | A | -1.7266 | |
| 12 | M | A | 0.0000 | |
| 13 | R | A | -3.1988 | |
| 14 | F | A | 0.0000 | |
| 15 | K | A | -3.2429 | |
| 16 | V | A | 0.0000 | |
| 17 | H | A | -1.7645 | |
| 18 | M | A | 0.0000 | |
| 19 | E | A | -1.8617 | |
| 20 | G | A | 0.0000 | |
| 21 | S | A | -1.6885 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -1.6808 | |
| 24 | G | A | -1.6647 | |
| 25 | H | A | -1.8860 | |
| 26 | E | A | -2.9258 | |
| 27 | F | A | 0.0000 | |
| 28 | E | A | -2.4656 | |
| 29 | I | A | 0.0000 | |
| 30 | E | A | -2.5010 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -3.6880 | |
| 33 | G | A | -2.7035 | |
| 34 | E | A | -2.5330 | |
| 35 | G | A | 0.0000 | |
| 36 | R | A | -2.4457 | |
| 37 | P | A | 0.0000 | |
| 38 | Y | A | -1.3938 | |
| 39 | E | A | -2.6011 | |
| 40 | G | A | 0.0000 | |
| 41 | T | A | 0.0000 | |
| 42 | Q | A | 0.0000 | |
| 43 | T | A | -1.4977 | |
| 44 | A | A | 0.0000 | |
| 45 | K | A | -2.5871 | |
| 46 | L | A | 0.0000 | |
| 47 | K | A | -2.1559 | |
| 48 | V | A | 0.0000 | |
| 49 | T | A | -1.6698 | |
| 50 | K | A | -2.8455 | |
| 51 | G | A | -2.0686 | |
| 52 | G | A | -1.7731 | |
| 53 | P | A | -1.1167 | |
| 54 | L | A | 0.0000 | |
| 55 | P | A | -0.8391 | |
| 56 | F | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | D | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | P | A | -0.2299 | |
| 64 | Q | A | 0.0000 | |
| 65 | F | A | 0.0000 | |
| 69 | S | A | -0.1626 | |
| 70 | K | A | -0.3132 | |
| 71 | A | A | 0.0000 | |
| 72 | Y | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | K | A | -2.5303 | |
| 75 | H | A | -1.8264 | |
| 76 | P | A | -1.5440 | |
| 77 | A | A | -1.1335 | |
| 78 | D | A | -2.1082 | |
| 79 | I | A | -1.2793 | |
| 80 | P | A | -0.6371 | |
| 81 | D | A | -0.3417 | |
| 82 | Y | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | K | A | 0.0000 | |
| 85 | L | A | 0.9946 | |
| 86 | S | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | P | A | -0.0852 | |
| 89 | E | A | -0.6462 | |
| 90 | G | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | K | A | -0.7595 | |
| 93 | W | A | 0.0000 | |
| 94 | E | A | 0.0000 | |
| 95 | R | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | M | A | 0.0000 | |
| 98 | N | A | -1.6812 | |
| 99 | F | A | 0.0000 | |
| 100 | E | A | -2.8458 | |
| 101 | D | A | -2.0299 | |
| 102 | G | A | -1.4880 | |
| 103 | G | A | 0.0000 | |
| 104 | V | A | -0.7015 | |
| 105 | V | A | 0.0000 | |
| 106 | T | A | 0.0322 | |
| 107 | V | A | 0.0000 | |
| 108 | T | A | 0.0000 | |
| 109 | Q | A | 0.0000 | |
| 110 | D | A | -0.8253 | |
| 111 | S | A | 0.0000 | |
| 112 | S | A | -0.6547 | |
| 113 | L | A | -0.9343 | |
| 114 | Q | A | -2.1501 | |
| 115 | D | A | -2.5694 | |
| 116 | G | A | -2.0567 | |
| 117 | E | A | -2.5965 | |
| 118 | F | A | 0.0000 | |
| 119 | I | A | -1.5941 | |
| 120 | Y | A | 0.0000 | |
| 121 | K | A | -1.4984 | |
| 122 | V | A | 0.0000 | |
| 123 | K | A | -0.9008 | |
| 124 | L | A | 0.0000 | |
| 125 | R | A | -0.6417 | |
| 126 | G | A | 0.0000 | |
| 127 | T | A | -0.9482 | |
| 128 | N | A | -1.6182 | |
| 129 | F | A | 0.0000 | |
| 130 | P | A | -1.5024 | |
| 131 | S | A | -1.5600 | |
| 132 | D | A | -2.2568 | |
| 133 | G | A | 0.0000 | |
| 134 | P | A | -1.7255 | |
| 135 | V | A | 0.0000 | |
| 136 | M | A | -1.4061 | |
| 137 | Q | A | -2.2856 | |
| 138 | K | A | -1.9234 | |
| 139 | K | A | -2.5065 | |
| 140 | T | A | 0.0000 | |
| 141 | M | A | -0.8328 | |
| 142 | G | A | -0.9011 | |
| 143 | W | A | 0.0000 | |
| 144 | E | A | -1.9988 | |
| 145 | A | A | -1.8463 | |
| 146 | S | A | -1.7181 | |
| 147 | S | A | -2.0329 | |
| 148 | E | A | 0.0000 | |
| 149 | R | A | -2.4151 | |
| 150 | M | A | 0.0000 | |
| 151 | Y | A | -0.9758 | |
| 152 | P | A | -1.3864 | |
| 153 | E | A | -2.6681 | |
| 154 | D | A | -2.9579 | |
| 155 | G | A | -2.2465 | |
| 156 | A | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | K | A | -1.5874 | |
| 159 | G | A | 0.0000 | |
| 160 | E | A | -3.1057 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | -3.2677 | |
| 163 | Q | A | 0.0000 | |
| 164 | R | A | -2.6186 | |
| 165 | L | A | 0.0000 | |
| 166 | K | A | -1.8560 | |
| 167 | L | A | -2.1656 | |
| 168 | K | A | -3.0572 | |
| 169 | D | A | -3.0601 | |
| 170 | G | A | -2.0690 | |
| 171 | G | A | -1.6381 | |
| 172 | H | A | -1.7554 | |
| 173 | Y | A | 0.0000 | |
| 174 | D | A | -2.4802 | |
| 175 | A | A | 0.0000 | |
| 176 | E | A | -3.5155 | |
| 177 | V | A | 0.0000 | |
| 178 | K | A | -2.2617 | |
| 179 | T | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | K | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | K | A | -0.8019 | |
| 185 | K | A | 0.0000 | |
| 186 | P | A | -0.2077 | |
| 187 | V | A | -0.1183 | |
| 188 | Q | A | -0.8881 | |
| 189 | L | A | -0.4948 | |
| 190 | P | A | 0.0000 | |
| 191 | G | A | -0.7979 | |
| 192 | A | A | -0.8499 | |
| 193 | Y | A | 0.0000 | |
| 194 | N | A | -2.6630 | |
| 195 | V | A | 0.0000 | |
| 196 | N | A | -2.8147 | |
| 197 | I | A | -2.2362 | |
| 198 | K | A | -3.1641 | |
| 199 | L | A | -1.9840 | |
| 200 | D | A | -2.2883 | |
| 201 | I | A | -0.7217 | |
| 202 | T | A | -0.8209 | |
| 203 | S | A | -0.9733 | |
| 204 | H | A | -1.6903 | |
| 205 | N | A | -1.7225 | |
| 206 | E | A | -2.4591 | |
| 207 | D | A | -1.8960 | |
| 208 | Y | A | -1.0993 | |
| 209 | T | A | -1.1043 | |
| 210 | I | A | -1.0375 | |
| 211 | V | A | 0.0000 | |
| 212 | E | A | -1.7148 | |
| 213 | Q | A | 0.0000 | |
| 214 | Y | A | -1.1852 | |
| 215 | E | A | -1.7889 | |
| 216 | R | A | -3.3947 | |
| 217 | A | A | 0.0000 | |
| 218 | E | A | -3.3915 | |
| 219 | G | A | 0.0000 | |
| 220 | R | A | -3.3853 | |
| 221 | H | A | -2.4284 | |
| 222 | S | A | -1.1525 | |
| 6 | A | B | -0.0615 | |
| 7 | I | B | 0.5103 | |
| 8 | I | B | 0.0000 | |
| 9 | K | B | -1.4352 | |
| 10 | E | B | -1.7135 | |
| 11 | F | B | -0.2189 | |
| 12 | M | B | 0.0000 | |
| 13 | R | B | -2.2027 | |
| 14 | F | B | 0.0000 | |
| 15 | K | B | -2.9434 | |
| 16 | V | B | 0.0000 | |
| 17 | H | B | -1.9985 | |
| 18 | M | B | 0.0000 | |
| 19 | E | B | -1.8894 | |
| 20 | G | B | 0.0000 | |
| 21 | S | B | 0.0000 | |
| 22 | V | B | 0.0000 | |
| 23 | N | B | -1.6952 | |
| 24 | G | B | -1.6698 | |
| 25 | H | B | -1.7796 | |
| 26 | E | B | -2.8583 | |
| 27 | F | B | 0.0000 | |
| 28 | E | B | -2.4192 | |
| 29 | I | B | 0.0000 | |
| 30 | E | B | -3.1188 | |
| 31 | G | B | -2.7704 | |
| 32 | E | B | -3.6616 | |
| 33 | G | B | 0.0000 | |
| 34 | E | B | -1.7338 | |
| 35 | G | B | 0.0000 | |
| 36 | R | B | -1.6317 | |
| 37 | P | B | 0.0000 | |
| 38 | Y | B | -1.1482 | |
| 39 | E | B | -2.2679 | |
| 40 | G | B | 0.0000 | |
| 41 | T | B | -1.4197 | |
| 42 | Q | B | 0.0000 | |
| 43 | T | B | -1.2612 | |
| 44 | A | B | 0.0000 | |
| 45 | K | B | -2.8263 | |
| 46 | L | B | 0.0000 | |
| 47 | K | B | -2.1024 | |
| 48 | V | B | 0.0000 | |
| 49 | T | B | -1.7695 | |
| 50 | K | B | -2.8575 | |
| 51 | G | B | -1.9914 | |
| 52 | G | B | -1.7747 | |
| 53 | P | B | -1.1026 | |
| 54 | L | B | 0.0000 | |
| 55 | P | B | -0.8133 | |
| 56 | F | B | 0.0000 | |
| 57 | A | B | 0.0000 | |
| 58 | W | B | 0.0000 | |
| 59 | D | B | 0.0000 | |
| 60 | I | B | 0.0000 | |
| 61 | L | B | 0.0000 | |
| 62 | S | B | 0.0000 | |
| 63 | P | B | -0.1341 | |
| 64 | Q | B | 0.0000 | |
| 65 | F | B | 0.0000 | |
| 69 | S | B | -0.0752 | |
| 70 | K | B | 0.0000 | |
| 71 | A | B | 0.0000 | |
| 72 | Y | B | 0.0000 | |
| 73 | V | B | 0.0000 | |
| 74 | K | B | -2.2057 | |
| 75 | H | B | -1.6690 | |
| 76 | P | B | -1.4125 | |
| 77 | A | B | -1.0302 | |
| 78 | D | B | -2.1688 | |
| 79 | I | B | 0.0000 | |
| 80 | P | B | -0.7699 | |
| 81 | D | B | -0.4410 | |
| 82 | Y | B | 0.0000 | |
| 83 | L | B | 0.0000 | |
| 84 | K | B | 0.0000 | |
| 85 | L | B | 0.7971 | |
| 86 | S | B | 0.0000 | |
| 87 | F | B | 0.0000 | |
| 88 | P | B | -0.2572 | |
| 89 | E | B | -0.7094 | |
| 90 | G | B | 0.0000 | |
| 91 | F | B | 0.0000 | |
| 92 | K | B | -0.7610 | |
| 93 | W | B | 0.0000 | |
| 94 | E | B | 0.0000 | |
| 95 | R | B | 0.0000 | |
| 96 | V | B | -0.4363 | |
| 97 | M | B | 0.0000 | |
| 98 | N | B | -2.1107 | |
| 99 | F | B | 0.0000 | |
| 100 | E | B | -2.9224 | |
| 101 | D | B | -2.1266 | |
| 102 | G | B | -1.5745 | |
| 103 | G | B | 0.0000 | |
| 104 | V | B | -0.9352 | |
| 105 | V | B | 0.0000 | |
| 106 | T | B | -0.1947 | |
| 107 | V | B | 0.0000 | |
| 108 | T | B | -0.5865 | |
| 109 | Q | B | 0.0000 | |
| 110 | D | B | -1.0251 | |
| 111 | S | B | 0.0000 | |
| 112 | S | B | -0.7473 | |
| 113 | L | B | -0.9018 | |
| 114 | Q | B | -2.0709 | |
| 115 | D | B | -2.4735 | |
| 116 | G | B | -1.8138 | |
| 117 | E | B | -1.9199 | |
| 118 | F | B | 0.0000 | |
| 119 | I | B | -1.4650 | |
| 120 | Y | B | 0.0000 | |
| 121 | K | B | -1.8842 | |
| 122 | V | B | 0.0000 | |
| 123 | K | B | -1.2110 | |
| 124 | L | B | 0.0000 | |
| 125 | R | B | -1.3421 | |
| 126 | G | B | 0.0000 | |
| 127 | T | B | -1.1036 | |
| 128 | N | B | -1.6063 | |
| 129 | F | B | 0.0000 | |
| 130 | P | B | -1.5035 | |
| 131 | S | B | -1.5865 | |
| 132 | D | B | -2.4214 | |
| 133 | G | B | 0.0000 | |
| 134 | P | B | -1.8142 | |
| 135 | V | B | 0.0000 | |
| 136 | M | B | -1.5311 | |
| 137 | Q | B | -2.4561 | |
| 138 | K | B | -2.3252 | |
| 139 | K | B | -2.6006 | |
| 140 | T | B | 0.0000 | |
| 141 | M | B | -0.6994 | |
| 142 | G | B | -0.6632 | |
| 143 | W | B | 0.0000 | |
| 144 | E | B | -1.6866 | |
| 145 | A | B | -1.2948 | |
| 146 | S | B | -1.3552 | |
| 147 | S | B | -1.4784 | |
| 148 | E | B | 0.0000 | |
| 149 | R | B | -2.1892 | |
| 150 | M | B | 0.0000 | |
| 151 | Y | B | -0.8776 | |
| 152 | P | B | -1.3378 | |
| 153 | E | B | -2.5790 | |
| 154 | D | B | -2.9899 | |
| 155 | G | B | -2.2659 | |
| 156 | A | B | 0.0000 | |
| 157 | L | B | 0.0000 | |
| 158 | K | B | -1.4073 | |
| 159 | G | B | 0.0000 | |
| 160 | E | B | -2.2159 | |
| 161 | I | B | 0.0000 | |
| 162 | K | B | -2.9971 | |
| 163 | Q | B | 0.0000 | |
| 164 | R | B | -2.6875 | |
| 165 | L | B | 0.0000 | |
| 166 | K | B | -1.8991 | |
| 167 | L | B | -2.1773 | |
| 168 | K | B | -3.0532 | |
| 169 | D | B | -3.0456 | |
| 170 | G | B | -2.0573 | |
| 171 | G | B | -1.6934 | |
| 172 | H | B | -1.7967 | |
| 173 | Y | B | 0.0000 | |
| 174 | D | B | -2.6750 | |
| 175 | A | B | 0.0000 | |
| 176 | E | B | -2.7656 | |
| 177 | V | B | 0.0000 | |
| 178 | K | B | -1.6225 | |
| 179 | T | B | 0.0000 | |
| 180 | T | B | 0.0000 | |
| 181 | Y | B | 0.0000 | |
| 182 | K | B | -0.7718 | |
| 183 | A | B | 0.0000 | |
| 184 | K | B | -1.1363 | |
| 185 | K | B | -0.7464 | |
| 186 | P | B | -0.4503 | |
| 187 | V | B | -0.2991 | |
| 188 | Q | B | -0.9489 | |
| 189 | L | B | -0.5682 | |
| 190 | P | B | 0.0000 | |
| 191 | G | B | -1.0036 | |
| 192 | A | B | -0.8237 | |
| 193 | Y | B | 0.0000 | |
| 194 | N | B | -2.0836 | |
| 195 | V | B | 0.0000 | |
| 196 | N | B | -1.8292 | |
| 197 | I | B | -1.3179 | |
| 198 | K | B | -1.7519 | |
| 199 | L | B | -1.0472 | |
| 200 | D | B | -1.0629 | |
| 201 | I | B | -0.1890 | |
| 202 | T | B | -0.5705 | |
| 203 | S | B | -0.7302 | |
| 204 | H | B | -1.4800 | |
| 205 | N | B | -1.5673 | |
| 206 | E | B | -2.4331 | |
| 207 | D | B | -1.9043 | |
| 208 | Y | B | -0.9036 | |
| 209 | T | B | -0.8002 | |
| 210 | I | B | -0.4906 | |
| 211 | V | B | 0.0000 | |
| 212 | E | B | -1.3661 | |
| 213 | Q | B | 0.0000 | |
| 214 | Y | B | -0.6921 | |
| 215 | E | B | -1.1631 | |
| 216 | R | B | -2.4766 | |
| 217 | A | B | 0.0000 | |
| 218 | E | B | -2.1995 | |
| 219 | G | B | 0.0000 | |
| 220 | R | B | -2.7053 | |
| 221 | H | B | -2.2676 | |
| 3 | Q | C | -1.8406 | |
| 4 | V | C | 0.0000 | |
| 5 | Q | C | -0.9730 | |
| 6 | L | C | 0.0000 | |
| 7 | V | C | -0.3351 | |
| 8 | Q | C | 0.0000 | |
| 9 | S | C | -0.9094 | |
| 10 | G | C | -1.1080 | |
| 11 | G | C | -0.8903 | |
| 12 | G | C | 0.0253 | |
| 13 | L | C | 1.5248 | |
| 14 | V | C | 1.0312 | |
| 16 | A | C | -0.7281 | |
| 17 | G | C | -1.3038 | |
| 18 | G | C | -0.6750 | |
| 19 | S | C | -1.0230 | |
| 20 | L | C | -1.1000 | |
| 21 | R | C | -2.4183 | |
| 22 | L | C | 0.0000 | |
| 23 | S | C | -0.7333 | |
| 24 | C | C | 0.0000 | |
| 25 | A | C | -0.4595 | |
| 26 | A | C | -0.6886 | |
| 27 | S | C | -1.0765 | |
| 28 | G | C | -1.7710 | |
| 29 | R | C | -2.1152 | |
| 30 | T | C | -1.0214 | |
| 31 | F | C | 0.0000 | |
| 32 | S | C | -0.9068 | |
| 33 | D | C | -0.7361 | |
| 34 | I | C | 0.0000 | |
| 35 | A | C | 0.0000 | |
| 36 | V | C | 0.0000 | |
| 37 | G | C | 0.0000 | |
| 38 | W | C | 0.0000 | |
| 39 | F | C | 0.0000 | |
| 40 | R | C | 0.0000 | |
| 41 | Q | C | -1.8292 | |
| 42 | T | C | -1.6225 | |
| 43 | P | C | -1.1746 | |
| 44 | G | C | -1.9947 | |
| 45 | K | C | -3.0738 | |
| 46 | E | C | -3.3791 | |
| 47 | R | C | -2.5363 | |
| 48 | E | C | -2.4817 | |
| 49 | F | C | 0.0000 | |
| 50 | V | C | 0.0000 | |
| 51 | A | C | 0.0000 | |
| 52 | A | C | 0.0000 | |
| 53 | I | C | 0.0000 | |
| 54 | S | C | 0.0000 | |
| 55 | W | C | 0.0000 | |
| 56 | S | C | -0.3181 | |
| 57 | G | C | -0.0359 | |
| 58 | L | C | 0.3065 | |
| 59 | I | C | 0.0000 | |
| 60 | I | C | 1.2060 | |
| 61 | N | C | 0.7481 | |
| 62 | Y | C | -0.6171 | |
| 63 | G | C | -1.3883 | |
| 64 | D | C | -2.7448 | |
| 65 | S | C | -2.2736 | |
| 66 | V | C | 0.0000 | |
| 67 | E | C | -3.3437 | |
| 68 | D | C | -3.2086 | |
| 69 | R | C | -2.7623 | |
| 70 | F | C | 0.0000 | |
| 71 | T | C | -1.2104 | |
| 72 | I | C | 0.0000 | |
| 73 | S | C | -0.3798 | |
| 74 | R | C | -1.0751 | |
| 75 | D | C | -1.6691 | |
| 76 | N | C | -1.8765 | |
| 77 | A | C | -1.5553 | |
| 78 | K | C | -2.1688 | |
| 79 | S | C | -1.3432 | |
| 80 | A | C | 0.0000 | |
| 81 | V | C | 0.0000 | |
| 82 | Y | C | 0.0000 | |
| 83 | L | C | 0.0000 | |
| 84 | Q | C | -1.8092 | |
| 85 | M | C | 0.0000 | |
| 86 | N | C | -2.5163 | |
| 87 | S | C | -1.8784 | |
| 88 | L | C | 0.0000 | |
| 89 | K | C | -2.6604 | |
| 90 | P | C | -1.8402 | |
| 91 | E | C | -2.4475 | |
| 92 | D | C | 0.0000 | |
| 93 | T | C | -0.8474 | |
| 94 | A | C | 0.0000 | |
| 95 | V | C | -0.6511 | |
| 96 | Y | C | 0.0000 | |
| 97 | Y | C | -0.3291 | |
| 98 | C | C | 0.0000 | |
| 99 | A | C | 0.0000 | |
| 100 | A | C | 0.0000 | |
| 101 | R | C | -0.3372 | |
| 102 | I | C | -0.3730 | |
| 103 | G | C | -0.3708 | |
| 104 | M | C | 0.0000 | |
| 105 | N | C | 0.0000 | |
| 106 | Y | C | 0.2710 | |
| 107 | Y | C | 0.7122 | |
| 108 | Y | C | 0.2038 | |
| 109 | A | C | -0.6157 | |
| 110 | R | C | -1.4203 | |
| 111 | E | C | -0.6822 | |
| 112 | I | C | 0.6630 | |
| 113 | E | C | -0.7430 | |
| 114 | Y | C | 0.0000 | |
| 115 | P | C | 0.0224 | |
| 116 | Y | C | -0.0320 | |
| 117 | W | C | 0.1915 | |
| 118 | G | C | -0.5169 | |
| 119 | Q | C | -1.1809 | |
| 120 | G | C | -0.9709 | |
| 121 | T | C | -1.0592 | |
| 122 | Q | C | -1.0561 | |
| 123 | V | C | 0.0000 | |
| 124 | T | C | 0.0955 | |
| 125 | V | C | 0.0905 | |
| 3 | Q | D | -1.8348 | |
| 4 | V | D | 0.0000 | |
| 5 | Q | D | -0.7230 | |
| 6 | L | D | 0.0000 | |
| 7 | V | D | -0.1797 | |
| 8 | Q | D | 0.0000 | |
| 9 | S | D | -1.0824 | |
| 10 | G | D | -1.1113 | |
| 11 | G | D | -0.8989 | |
| 12 | G | D | -0.0094 | |
| 13 | L | D | 1.4279 | |
| 14 | V | D | 0.8569 | |
| 16 | A | D | -0.1500 | |
| 17 | G | D | -1.0788 | |
| 18 | G | D | -0.6684 | |
| 19 | S | D | -1.1645 | |
| 20 | L | D | -1.0944 | |
| 21 | R | D | -2.2066 | |
| 22 | L | D | 0.0000 | |
| 23 | S | D | -0.6568 | |
| 24 | C | D | 0.0000 | |
| 25 | A | D | -0.3518 | |
| 26 | A | D | -0.6043 | |
| 27 | S | D | -0.9734 | |
| 28 | G | D | -1.7000 | |
| 29 | R | D | -1.9706 | |
| 30 | T | D | -1.0168 | |
| 31 | F | D | 0.0000 | |
| 32 | S | D | -0.8942 | |
| 33 | D | D | -0.6302 | |
| 34 | I | D | 0.0000 | |
| 35 | A | D | 0.0000 | |
| 36 | V | D | 0.0000 | |
| 37 | G | D | 0.0000 | |
| 38 | W | D | 0.0000 | |
| 39 | F | D | 0.0000 | |
| 40 | R | D | 0.0000 | |
| 41 | Q | D | -2.0750 | |
| 42 | T | D | 0.0000 | |
| 43 | P | D | -1.3956 | |
| 44 | G | D | -2.0038 | |
| 45 | K | D | -3.2997 | |
| 46 | E | D | -3.6178 | |
| 47 | R | D | -2.8961 | |
| 48 | E | D | -2.2104 | |
| 49 | F | D | -1.0791 | |
| 50 | V | D | 0.0000 | |
| 51 | A | D | 0.0000 | |
| 52 | A | D | 0.0000 | |
| 53 | I | D | 0.0000 | |
| 54 | S | D | 0.0000 | |
| 55 | W | D | 0.0000 | |
| 56 | S | D | -0.3128 | |
| 57 | G | D | 0.0901 | |
| 58 | L | D | 0.5138 | |
| 59 | I | D | 0.0000 | |
| 60 | I | D | 1.4032 | |
| 61 | N | D | 0.3634 | |
| 62 | Y | D | -0.7202 | |
| 63 | G | D | -1.5675 | |
| 64 | D | D | -2.7045 | |
| 65 | S | D | -1.9721 | |
| 66 | V | D | 0.0000 | |
| 67 | E | D | -3.2990 | |
| 68 | D | D | -3.1808 | |
| 69 | R | D | -2.3236 | |
| 70 | F | D | 0.0000 | |
| 71 | T | D | -1.0131 | |
| 72 | I | D | 0.0000 | |
| 73 | S | D | -0.2196 | |
| 74 | R | D | -0.9861 | |
| 75 | D | D | -1.7552 | |
| 76 | N | D | -1.9433 | |
| 77 | A | D | -1.5877 | |
| 78 | K | D | -2.1707 | |
| 79 | S | D | -1.3137 | |
| 80 | A | D | -0.8883 | |
| 81 | V | D | 0.0000 | |
| 82 | Y | D | -0.6085 | |
| 83 | L | D | 0.0000 | |
| 84 | Q | D | -1.3410 | |
| 85 | M | D | 0.0000 | |
| 86 | N | D | -2.2644 | |
| 87 | S | D | -1.5583 | |
| 88 | L | D | 0.0000 | |
| 89 | K | D | -1.9721 | |
| 90 | P | D | -1.5421 | |
| 91 | E | D | -2.2078 | |
| 92 | D | D | 0.0000 | |
| 93 | T | D | -0.7303 | |
| 94 | A | D | 0.0000 | |
| 95 | V | D | -0.6509 | |
| 96 | Y | D | 0.0000 | |
| 97 | Y | D | -0.2946 | |
| 98 | C | D | 0.0000 | |
| 99 | A | D | 0.0000 | |
| 100 | A | D | 0.0000 | |
| 101 | R | D | -0.0671 | |
| 102 | I | D | -0.0508 | |
| 103 | G | D | -0.1220 | |
| 104 | M | D | 0.0000 | |
| 105 | N | D | 0.0000 | |
| 106 | Y | D | 0.0414 | |
| 107 | Y | D | 0.2154 | |
| 108 | Y | D | 0.1969 | |
| 109 | A | D | -0.2539 | |
| 110 | R | D | -0.7471 | |
| 111 | E | D | -0.1329 | |
| 112 | I | D | 1.0319 | |
| 113 | E | D | -0.1576 | |
| 114 | Y | D | 0.0000 | |
| 115 | P | D | 0.0854 | |
| 116 | Y | D | 0.2045 | |
| 117 | W | D | 0.3040 | |
| 118 | G | D | -0.2967 | |
| 119 | Q | D | -1.0661 | |
| 120 | G | D | -0.8952 | |
| 121 | T | D | 0.0000 | |
| 122 | Q | D | -0.9796 | |
| 123 | V | D | 0.0000 | |
| 124 | T | D | 0.1444 | |
| 125 | V | D | -0.0055 |
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