| Chain sequence(s) |
A: MNRLQNKVAIITGGTKGIGYGIAKRFLAEGAKVVITGRNAEVGEAAAADLGDPSVVTYLQQDVTDEARWTEVYDQTEALYGPVTTLVNNSGIAIGKNVEDTTTEDWHTLLAINLDAVFFGTRLAIKRMKNKNLGGSIINMSSIEGFIGDPNLAAYNASKGAVRIFSKSAALHCAINDLGVRVNTVHPGYIRTPMVEGLSGFEAAMSERTKTPMGHIGDPDDIGYICVYLASDESKFATGSEFVVDGGYTAQ
C: MNRLQNKVAIITGGTKGIGYGIAKRFLAEGAKVVITGRNAEVGEAAAADLGDPSVVTYLQQDVTDEARWTEVYDQTEALYGPVTTLVNNSGIAIGKNVEDTTTEDWHTLLAINLDAVFFGTRLAIKRMKNKNLGGSIINMSSIEGFIGDPNLAAYNASKGAVRIFSKSAALHCAINDLGVRVNTVHPGYIRTPMVEGLSGFEAAMSERTKTPMGHIGDPDDIGYICVYLASDESKFATGSEFVVDGGYTAQ B: MNRLQNKVAIITGGTKGIGYGIAKRFLAEGAKVVITGRNAEVGEAAAADLGDPSVVTYLQQDVTDEARWTEVYDQTEALYGPVTTLVNNSGIAIGKNVEDTTTEDWHTLLAINLDAVFFGTRLAIKRMKNKNLGGSIINMSSIEGFIGDPNLAAYNASKGAVRIFSKSAALHCAINDLGVRVNTVHPGYIRTPMVEGLSGFEAAMSERTKTPMGHIGDPDDIGYICVYLASDESKFATGSEFVVDGGYTAQ D: MNRLQNKVAIITGGTKGIGYGIAKRFLAEGAKVVITGRNAEVGEAAAADLGDPSVVTYLQQDVTDEARWTEVYDQTEALYGPVTTLVNNSGIAIGKNVEDTTTEDWHTLLAINLDAVFFGTRLAIKRMKNKNLGGSIINMSSIEGFIGDPNLAAYNASKGAVRIFSKSAALHCAINDLGVRVNTVHPGYIRTPMVEGLSGFEAAMSERTKTPMGHIGDPDDIGYICVYLASDESKFATGSEFVVDGGYTAQ 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 (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:57)
[INFO] Main: Simulation completed successfully. (00:12:07)
|
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 | |
| 1 | M | A | 0.5721 | |
| 2 | N | A | -0.6096 | |
| 3 | R | A | -1.1332 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -2.1731 | |
| 6 | N | A | -2.2414 | |
| 7 | K | A | -1.4817 | |
| 8 | V | A | 0.0000 | |
| 9 | A | A | 0.0000 | |
| 10 | I | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | T | A | 0.0000 | |
| 13 | G | A | -0.9803 | |
| 14 | G | A | 0.0000 | |
| 15 | T | A | -1.0424 | |
| 16 | K | A | -0.8379 | |
| 17 | G | A | -0.5967 | |
| 18 | I | A | -0.7009 | |
| 19 | G | A | 0.0000 | |
| 20 | Y | A | -0.5851 | |
| 21 | G | A | -1.2388 | |
| 22 | I | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | K | A | -1.9956 | |
| 25 | R | A | -1.1669 | |
| 26 | F | A | 0.0000 | |
| 27 | L | A | -0.8420 | |
| 28 | A | A | -0.7426 | |
| 29 | E | A | -1.1412 | |
| 30 | G | A | -1.2177 | |
| 31 | A | A | 0.0000 | |
| 32 | K | A | -0.9007 | |
| 33 | V | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | T | A | 0.0000 | |
| 37 | G | A | -2.0270 | |
| 38 | R | A | -3.0358 | |
| 39 | N | A | -2.8542 | |
| 40 | A | A | -2.4767 | |
| 41 | E | A | -2.5369 | |
| 42 | V | A | -1.4058 | |
| 43 | G | A | 0.0000 | |
| 44 | E | A | -2.6079 | |
| 45 | A | A | -1.4894 | |
| 46 | A | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | A | A | -1.7706 | |
| 49 | D | A | -2.4369 | |
| 50 | L | A | -1.4606 | |
| 51 | G | A | -1.6529 | |
| 52 | D | A | -2.0547 | |
| 53 | P | A | -0.9982 | |
| 54 | S | A | -0.5647 | |
| 55 | V | A | -0.3401 | |
| 56 | V | A | 0.0000 | |
| 57 | T | A | -0.5575 | |
| 58 | Y | A | 0.0000 | |
| 59 | L | A | -1.2457 | |
| 60 | Q | A | -2.3684 | |
| 61 | Q | A | 0.0000 | |
| 62 | D | A | -1.9550 | |
| 63 | V | A | 0.0000 | |
| 64 | T | A | -1.0039 | |
| 65 | D | A | -1.6903 | |
| 66 | E | A | -1.9248 | |
| 67 | A | A | -1.6483 | |
| 68 | R | A | -2.7537 | |
| 69 | W | A | 0.0000 | |
| 70 | T | A | -2.0680 | |
| 71 | E | A | -3.1500 | |
| 72 | V | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | D | A | -2.8619 | |
| 75 | Q | A | -1.7088 | |
| 76 | T | A | 0.0000 | |
| 77 | E | A | -1.1618 | |
| 78 | A | A | -0.3509 | |
| 79 | L | A | 0.4636 | |
| 80 | Y | A | 0.0724 | |
| 81 | G | A | -0.5531 | |
| 82 | P | A | -0.7378 | |
| 83 | V | A | 0.0000 | |
| 84 | T | A | 0.0000 | |
| 85 | T | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | N | A | 0.0000 | |
| 89 | N | A | -0.2179 | |
| 90 | S | A | -0.3214 | |
| 91 | G | A | 0.1210 | |
| 92 | I | A | 0.7944 | |
| 93 | A | A | 0.2897 | |
| 94 | I | A | 0.0000 | |
| 95 | G | A | -1.6089 | |
| 96 | K | A | -2.6874 | |
| 97 | N | A | -2.2715 | |
| 98 | V | A | 0.0000 | |
| 99 | E | A | -1.7502 | |
| 100 | D | A | -2.8007 | |
| 101 | T | A | 0.0000 | |
| 102 | T | A | -1.7772 | |
| 103 | T | A | -1.8054 | |
| 104 | E | A | -2.6526 | |
| 105 | D | A | -2.5527 | |
| 106 | W | A | 0.0000 | |
| 107 | H | A | -1.8171 | |
| 108 | T | A | -1.2259 | |
| 109 | L | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | A | A | -0.5026 | |
| 112 | I | A | 0.0000 | |
| 113 | N | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | D | A | -0.5143 | |
| 116 | A | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | F | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | T | A | 0.0000 | |
| 122 | R | A | -0.7052 | |
| 123 | L | A | -0.4906 | |
| 124 | A | A | 0.0000 | |
| 125 | I | A | 0.0000 | |
| 126 | K | A | -1.4597 | |
| 127 | R | A | -1.5418 | |
| 128 | M | A | 0.0000 | |
| 129 | K | A | -2.9370 | |
| 130 | N | A | -3.5049 | |
| 131 | K | A | -3.2682 | |
| 132 | N | A | -2.6675 | |
| 133 | L | A | -1.6809 | |
| 134 | G | A | -1.5721 | |
| 135 | G | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | N | A | 0.0000 | |
| 140 | M | A | 0.0000 | |
| 141 | S | A | 0.0000 | |
| 142 | S | A | -0.0861 | |
| 143 | I | A | 0.0000 | |
| 144 | E | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | F | A | 0.2315 | |
| 147 | I | A | 0.1234 | |
| 148 | G | A | 0.0000 | |
| 149 | D | A | -0.7066 | |
| 150 | P | A | -1.0777 | |
| 151 | N | A | -2.2764 | |
| 152 | L | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | Y | A | -0.0655 | |
| 156 | N | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | K | A | -0.2944 | |
| 160 | G | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | R | A | -0.2046 | |
| 164 | I | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | K | A | 0.0000 | |
| 168 | S | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | H | A | 0.0000 | |
| 173 | C | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | I | A | -0.7989 | |
| 176 | N | A | -2.1889 | |
| 177 | D | A | -2.6646 | |
| 178 | L | A | 0.0000 | |
| 179 | G | A | -2.4761 | |
| 180 | V | A | 0.0000 | |
| 181 | R | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | N | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | H | A | 0.0000 | |
| 187 | P | A | 0.0000 | |
| 188 | G | A | -0.2523 | |
| 189 | Y | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | R | A | -1.4471 | |
| 192 | T | A | 0.0000 | |
| 193 | P | A | -0.8840 | |
| 194 | M | A | -0.1054 | |
| 195 | V | A | 0.0000 | |
| 196 | E | A | -2.0956 | |
| 197 | G | A | -1.1660 | |
| 198 | L | A | -0.6952 | |
| 199 | S | A | -0.8601 | |
| 200 | G | A | -0.9373 | |
| 201 | F | A | -0.6187 | |
| 202 | E | A | -1.5644 | |
| 203 | A | A | -1.0864 | |
| 204 | A | A | -0.8836 | |
| 205 | M | A | 0.0000 | |
| 206 | S | A | -1.6542 | |
| 207 | E | A | -2.3769 | |
| 208 | R | A | -1.5732 | |
| 209 | T | A | -1.0851 | |
| 210 | K | A | -1.3432 | |
| 211 | T | A | 0.0000 | |
| 212 | P | A | 0.0000 | |
| 213 | M | A | -1.0526 | |
| 214 | G | A | -1.5867 | |
| 215 | H | A | -1.6674 | |
| 216 | I | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | D | A | -2.4189 | |
| 219 | P | A | -1.6433 | |
| 220 | D | A | -2.1595 | |
| 221 | D | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | Y | A | -0.5181 | |
| 225 | I | A | 0.0000 | |
| 226 | C | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | Y | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | S | A | 0.0000 | |
| 232 | D | A | -2.1683 | |
| 233 | E | A | 0.0000 | |
| 234 | S | A | 0.0000 | |
| 235 | K | A | -1.7654 | |
| 236 | F | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | S | A | 0.0000 | |
| 241 | E | A | -0.3342 | |
| 242 | F | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | D | A | 0.0000 | |
| 246 | G | A | 0.0000 | |
| 247 | G | A | 0.0000 | |
| 248 | Y | A | -0.1803 | |
| 249 | T | A | -0.0062 | |
| 250 | A | A | 0.0000 | |
| 251 | Q | A | -0.3362 | |
| 1 | M | B | 0.5282 | |
| 2 | N | B | -0.6873 | |
| 3 | R | B | -1.1533 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -2.1585 | |
| 6 | N | B | -2.2231 | |
| 7 | K | B | -1.4559 | |
| 8 | V | B | 0.0000 | |
| 9 | A | B | 0.0000 | |
| 10 | I | B | 0.0000 | |
| 11 | I | B | 0.0000 | |
| 12 | T | B | 0.0000 | |
| 13 | G | B | -0.9881 | |
| 14 | G | B | 0.0000 | |
| 15 | T | B | -1.4848 | |
| 16 | K | B | -1.6018 | |
| 17 | G | B | -1.1191 | |
| 18 | I | B | -0.7274 | |
| 19 | G | B | 0.0000 | |
| 20 | Y | B | -0.9071 | |
| 21 | G | B | 0.0000 | |
| 22 | I | B | 0.0000 | |
| 23 | A | B | 0.0000 | |
| 24 | K | B | -1.3674 | |
| 25 | R | B | -0.8452 | |
| 26 | F | B | 0.0000 | |
| 27 | L | B | -0.6264 | |
| 28 | A | B | -0.6482 | |
| 29 | E | B | -1.1502 | |
| 30 | G | B | -1.2223 | |
| 31 | A | B | 0.0000 | |
| 32 | K | B | -0.9007 | |
| 33 | V | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | I | B | 0.0000 | |
| 36 | T | B | 0.0000 | |
| 37 | G | B | -2.0566 | |
| 38 | R | B | -2.9424 | |
| 39 | N | B | -2.8359 | |
| 40 | A | B | -2.4826 | |
| 41 | E | B | -2.8248 | |
| 42 | V | B | -1.8590 | |
| 43 | G | B | 0.0000 | |
| 44 | E | B | -2.6901 | |
| 45 | A | B | -1.6284 | |
| 46 | A | B | 0.0000 | |
| 47 | A | B | -1.4182 | |
| 48 | A | B | -1.6929 | |
| 49 | D | B | -2.3260 | |
| 50 | L | B | -1.4863 | |
| 51 | G | B | -1.5170 | |
| 52 | D | B | -1.9293 | |
| 53 | P | B | -0.8960 | |
| 54 | S | B | -0.5095 | |
| 55 | V | B | -0.2687 | |
| 56 | V | B | 0.0000 | |
| 57 | T | B | -0.5229 | |
| 58 | Y | B | -0.5889 | |
| 59 | L | B | -1.3774 | |
| 60 | Q | B | -2.6638 | |
| 61 | Q | B | 0.0000 | |
| 62 | D | B | -1.6525 | |
| 63 | V | B | 0.0000 | |
| 64 | T | B | -0.7501 | |
| 65 | D | B | -1.3591 | |
| 66 | E | B | -1.6770 | |
| 67 | A | B | -1.4819 | |
| 68 | R | B | -2.1834 | |
| 69 | W | B | 0.0000 | |
| 70 | T | B | -1.9359 | |
| 71 | E | B | -3.1727 | |
| 72 | V | B | 0.0000 | |
| 73 | Y | B | 0.0000 | |
| 74 | D | B | -2.7242 | |
| 75 | Q | B | -1.6215 | |
| 76 | T | B | 0.0000 | |
| 77 | E | B | -1.2154 | |
| 78 | A | B | -0.3495 | |
| 79 | L | B | 0.5148 | |
| 80 | Y | B | 0.0624 | |
| 81 | G | B | -0.6194 | |
| 82 | P | B | -0.8082 | |
| 83 | V | B | 0.0000 | |
| 84 | T | B | 0.0000 | |
| 85 | T | B | 0.0000 | |
| 86 | L | B | 0.0000 | |
| 87 | V | B | 0.0000 | |
| 88 | N | B | 0.0000 | |
| 89 | N | B | -0.3650 | |
| 90 | S | B | -0.4086 | |
| 91 | G | B | -0.0250 | |
| 92 | I | B | 0.5614 | |
| 93 | A | B | 0.2575 | |
| 94 | I | B | -0.0655 | |
| 95 | G | B | -1.0117 | |
| 96 | K | B | -1.6337 | |
| 97 | N | B | -1.6196 | |
| 98 | V | B | 0.0000 | |
| 99 | E | B | -1.6017 | |
| 100 | D | B | -2.3555 | |
| 101 | T | B | 0.0000 | |
| 102 | T | B | -1.4998 | |
| 103 | T | B | -1.5227 | |
| 104 | E | B | -2.2835 | |
| 105 | D | B | -1.6907 | |
| 106 | W | B | 0.0000 | |
| 107 | H | B | -1.6703 | |
| 108 | T | B | -0.9619 | |
| 109 | L | B | 0.0000 | |
| 110 | L | B | 0.0000 | |
| 111 | A | B | -0.3979 | |
| 112 | I | B | 0.0000 | |
| 113 | N | B | 0.0000 | |
| 114 | L | B | 0.0000 | |
| 115 | D | B | -0.5175 | |
| 116 | A | B | 0.0000 | |
| 117 | V | B | 0.0000 | |
| 118 | F | B | 0.0000 | |
| 119 | F | B | 0.0000 | |
| 120 | G | B | 0.0000 | |
| 121 | T | B | 0.0000 | |
| 122 | R | B | -0.7666 | |
| 123 | L | B | -0.4825 | |
| 124 | A | B | 0.0000 | |
| 125 | I | B | 0.0000 | |
| 126 | K | B | -1.4730 | |
| 127 | R | B | -1.6385 | |
| 128 | M | B | 0.0000 | |
| 129 | K | B | -2.6943 | |
| 130 | N | B | -3.2887 | |
| 131 | K | B | -3.0337 | |
| 132 | N | B | -2.4866 | |
| 133 | L | B | -1.4585 | |
| 134 | G | B | -1.5164 | |
| 135 | G | B | 0.0000 | |
| 136 | S | B | 0.0000 | |
| 137 | I | B | 0.0000 | |
| 138 | I | B | 0.0000 | |
| 139 | N | B | 0.0000 | |
| 140 | M | B | 0.0000 | |
| 141 | S | B | 0.0000 | |
| 142 | S | B | 0.0000 | |
| 143 | I | B | 0.0000 | |
| 144 | E | B | 0.0000 | |
| 145 | G | B | 0.0000 | |
| 146 | F | B | 0.4789 | |
| 147 | I | B | 0.2046 | |
| 148 | G | B | 0.0000 | |
| 149 | D | B | -0.6720 | |
| 150 | P | B | -0.6562 | |
| 151 | N | B | -1.3943 | |
| 152 | L | B | 0.0000 | |
| 153 | A | B | 0.0000 | |
| 154 | A | B | 0.0000 | |
| 155 | Y | B | 0.0000 | |
| 156 | N | B | 0.0000 | |
| 157 | A | B | 0.0000 | |
| 158 | S | B | 0.0000 | |
| 159 | K | B | 0.0000 | |
| 160 | G | B | 0.0000 | |
| 161 | A | B | 0.0000 | |
| 162 | V | B | 0.0000 | |
| 163 | R | B | -0.0321 | |
| 164 | I | B | 0.0000 | |
| 165 | F | B | 0.0000 | |
| 166 | S | B | 0.0000 | |
| 167 | K | B | 0.0000 | |
| 168 | S | B | 0.0000 | |
| 169 | A | B | 0.0000 | |
| 170 | A | B | 0.0000 | |
| 171 | L | B | 0.0000 | |
| 172 | H | B | 0.0000 | |
| 173 | C | B | 0.0000 | |
| 174 | A | B | 0.0000 | |
| 175 | I | B | -0.6345 | |
| 176 | N | B | -1.9718 | |
| 177 | D | B | -2.4775 | |
| 178 | L | B | -2.3171 | |
| 179 | G | B | -2.1885 | |
| 180 | V | B | 0.0000 | |
| 181 | R | B | 0.0000 | |
| 182 | V | B | 0.0000 | |
| 183 | N | B | 0.0000 | |
| 184 | T | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | H | B | 0.0000 | |
| 187 | P | B | 0.0000 | |
| 188 | G | B | 0.0000 | |
| 189 | Y | B | 0.0000 | |
| 190 | I | B | 0.0000 | |
| 191 | R | B | -2.0094 | |
| 192 | T | B | 0.0000 | |
| 193 | P | B | -1.3986 | |
| 194 | M | B | -0.8887 | |
| 195 | V | B | 0.0000 | |
| 196 | E | B | -2.5561 | |
| 197 | G | B | -1.4439 | |
| 198 | L | B | 0.0000 | |
| 199 | S | B | -1.0549 | |
| 200 | G | B | -1.1424 | |
| 201 | F | B | -1.0197 | |
| 202 | E | B | -2.0043 | |
| 203 | A | B | -1.0014 | |
| 204 | A | B | -1.0502 | |
| 205 | M | B | 0.0000 | |
| 206 | S | B | -1.5297 | |
| 207 | E | B | -2.2904 | |
| 208 | R | B | -1.6633 | |
| 209 | T | B | -1.2245 | |
| 210 | K | B | -1.5112 | |
| 211 | T | B | 0.0000 | |
| 212 | P | B | 0.0000 | |
| 213 | M | B | -0.9182 | |
| 214 | G | B | -1.3637 | |
| 215 | H | B | -1.3651 | |
| 216 | I | B | -0.9928 | |
| 217 | G | B | 0.0000 | |
| 218 | D | B | -1.5916 | |
| 219 | P | B | -1.1484 | |
| 220 | D | B | -0.7830 | |
| 221 | D | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | G | B | 0.0000 | |
| 224 | Y | B | -0.2486 | |
| 225 | I | B | 0.0000 | |
| 226 | C | B | 0.0000 | |
| 227 | V | B | 0.0000 | |
| 228 | Y | B | 0.0000 | |
| 229 | L | B | 0.0000 | |
| 230 | A | B | 0.0000 | |
| 231 | S | B | 0.0000 | |
| 232 | D | B | -2.2254 | |
| 233 | E | B | 0.0000 | |
| 234 | S | B | 0.0000 | |
| 235 | K | B | -2.1301 | |
| 236 | F | B | 0.0000 | |
| 237 | A | B | 0.0000 | |
| 238 | T | B | 0.0000 | |
| 239 | G | B | 0.0000 | |
| 240 | S | B | 0.0000 | |
| 241 | E | B | -0.3164 | |
| 242 | F | B | 0.0000 | |
| 243 | V | B | 0.0000 | |
| 244 | V | B | 0.0000 | |
| 245 | D | B | 0.0000 | |
| 246 | G | B | 0.0000 | |
| 247 | G | B | 0.0000 | |
| 248 | Y | B | 0.0000 | |
| 249 | T | B | -0.1705 | |
| 250 | A | B | 0.0000 | |
| 251 | Q | B | -0.5327 | |
| 1 | M | C | 0.1066 | |
| 2 | N | C | -1.1342 | |
| 3 | R | C | 0.0000 | |
| 4 | L | C | 0.0000 | |
| 5 | Q | C | -2.2261 | |
| 6 | N | C | -2.1344 | |
| 7 | K | C | 0.0000 | |
| 8 | V | C | 0.0000 | |
| 9 | A | C | 0.0000 | |
| 10 | I | C | 0.0000 | |
| 11 | I | C | 0.0000 | |
| 12 | T | C | 0.0000 | |
| 13 | G | C | -0.9684 | |
| 14 | G | C | 0.0000 | |
| 15 | T | C | 0.0000 | |
| 16 | K | C | -1.0794 | |
| 17 | G | C | -0.9284 | |
| 18 | I | C | -0.5996 | |
| 19 | G | C | 0.0000 | |
| 20 | Y | C | -0.7324 | |
| 21 | G | C | 0.0000 | |
| 22 | I | C | 0.0000 | |
| 23 | A | C | 0.0000 | |
| 24 | K | C | -1.3201 | |
| 25 | R | C | -0.8638 | |
| 26 | F | C | 0.0000 | |
| 27 | L | C | -0.5725 | |
| 28 | A | C | -0.7601 | |
| 29 | E | C | -1.1069 | |
| 30 | G | C | -1.3529 | |
| 31 | A | C | 0.0000 | |
| 32 | K | C | -0.8373 | |
| 33 | V | C | 0.0000 | |
| 34 | V | C | 0.0000 | |
| 35 | I | C | 0.0000 | |
| 36 | T | C | 0.0000 | |
| 37 | G | C | -1.6722 | |
| 38 | R | C | -2.7874 | |
| 39 | N | C | -2.4936 | |
| 40 | A | C | -2.1729 | |
| 41 | E | C | -2.5624 | |
| 42 | V | C | -1.3539 | |
| 43 | G | C | 0.0000 | |
| 44 | E | C | -2.5311 | |
| 45 | A | C | -1.5200 | |
| 46 | A | C | 0.0000 | |
| 47 | A | C | -1.3785 | |
| 48 | A | C | -1.6631 | |
| 49 | D | C | -2.3184 | |
| 50 | L | C | -1.4748 | |
| 51 | G | C | -1.4770 | |
| 52 | D | C | -1.8994 | |
| 53 | P | C | -0.8827 | |
| 54 | S | C | -0.5169 | |
| 55 | V | C | -0.2520 | |
| 56 | V | C | 0.0000 | |
| 57 | T | C | -0.5148 | |
| 58 | Y | C | -0.4981 | |
| 59 | L | C | -1.0859 | |
| 60 | Q | C | -2.2747 | |
| 61 | Q | C | 0.0000 | |
| 62 | D | C | -2.1276 | |
| 63 | V | C | 0.0000 | |
| 64 | T | C | -1.2590 | |
| 65 | D | C | -2.1865 | |
| 66 | E | C | -2.0130 | |
| 67 | A | C | -1.4352 | |
| 68 | R | C | -2.2214 | |
| 69 | W | C | 0.0000 | |
| 70 | T | C | -1.9888 | |
| 71 | E | C | -2.5995 | |
| 72 | V | C | 0.0000 | |
| 73 | Y | C | 0.0000 | |
| 74 | D | C | -2.7535 | |
| 75 | Q | C | -1.7429 | |
| 76 | T | C | 0.0000 | |
| 77 | E | C | -1.1597 | |
| 78 | A | C | -0.4857 | |
| 79 | L | C | 0.2631 | |
| 80 | Y | C | -0.0628 | |
| 81 | G | C | -0.6492 | |
| 82 | P | C | -1.0288 | |
| 83 | V | C | 0.0000 | |
| 84 | T | C | 0.0000 | |
| 85 | T | C | 0.0000 | |
| 86 | L | C | 0.0000 | |
| 87 | V | C | 0.0000 | |
| 88 | N | C | 0.0000 | |
| 89 | N | C | -0.3088 | |
| 90 | S | C | -0.5461 | |
| 91 | G | C | 0.0669 | |
| 92 | I | C | 0.7314 | |
| 93 | A | C | 0.3350 | |
| 94 | I | C | -0.1415 | |
| 95 | G | C | -1.1435 | |
| 96 | K | C | -1.7142 | |
| 97 | N | C | -1.6597 | |
| 98 | V | C | 0.0000 | |
| 99 | E | C | -1.6254 | |
| 100 | D | C | -2.3962 | |
| 101 | T | C | 0.0000 | |
| 102 | T | C | -1.4840 | |
| 103 | T | C | -1.5821 | |
| 104 | E | C | -2.2990 | |
| 105 | D | C | -1.7169 | |
| 106 | W | C | 0.0000 | |
| 107 | H | C | -1.6236 | |
| 108 | T | C | -0.9982 | |
| 109 | L | C | 0.0000 | |
| 110 | L | C | 0.0000 | |
| 111 | A | C | -0.4703 | |
| 112 | I | C | 0.0000 | |
| 113 | N | C | 0.0000 | |
| 114 | L | C | 0.0000 | |
| 115 | D | C | -0.6869 | |
| 116 | A | C | 0.0000 | |
| 117 | V | C | 0.0000 | |
| 118 | F | C | 0.0000 | |
| 119 | F | C | 0.0000 | |
| 120 | G | C | 0.0000 | |
| 121 | T | C | 0.0000 | |
| 122 | R | C | -0.8978 | |
| 123 | L | C | -0.8518 | |
| 124 | A | C | 0.0000 | |
| 125 | I | C | 0.0000 | |
| 126 | K | C | -2.3333 | |
| 127 | R | C | -2.9005 | |
| 128 | M | C | 0.0000 | |
| 129 | K | C | -3.4049 | |
| 130 | N | C | -3.7607 | |
| 131 | K | C | -3.4626 | |
| 132 | N | C | -2.8549 | |
| 133 | L | C | -1.7598 | |
| 134 | G | C | -1.6264 | |
| 135 | G | C | 0.0000 | |
| 136 | S | C | 0.0000 | |
| 137 | I | C | 0.0000 | |
| 138 | I | C | 0.0000 | |
| 139 | N | C | 0.0000 | |
| 140 | M | C | 0.0000 | |
| 141 | S | C | 0.0000 | |
| 142 | S | C | 0.0000 | |
| 143 | I | C | 0.0000 | |
| 144 | E | C | 0.0000 | |
| 145 | G | C | 0.0000 | |
| 146 | F | C | 0.5996 | |
| 147 | I | C | 0.2673 | |
| 148 | G | C | 0.0000 | |
| 149 | D | C | -0.6006 | |
| 150 | P | C | -0.9298 | |
| 151 | N | C | -1.6409 | |
| 152 | L | C | 0.0000 | |
| 153 | A | C | 0.0000 | |
| 154 | A | C | 0.0000 | |
| 155 | Y | C | -0.0444 | |
| 156 | N | C | 0.0000 | |
| 157 | A | C | 0.0000 | |
| 158 | S | C | 0.0000 | |
| 159 | K | C | 0.0000 | |
| 160 | G | C | 0.0000 | |
| 161 | A | C | 0.0000 | |
| 162 | V | C | 0.0000 | |
| 163 | R | C | 0.0000 | |
| 164 | I | C | 0.0000 | |
| 165 | F | C | 0.0000 | |
| 166 | S | C | 0.0000 | |
| 167 | K | C | 0.0000 | |
| 168 | S | C | 0.0000 | |
| 169 | A | C | 0.0000 | |
| 170 | A | C | 0.0000 | |
| 171 | L | C | 0.0000 | |
| 172 | H | C | 0.0000 | |
| 173 | C | C | 0.0000 | |
| 174 | A | C | 0.0000 | |
| 175 | I | C | -0.8526 | |
| 176 | N | C | -2.2270 | |
| 177 | D | C | -2.8345 | |
| 178 | L | C | 0.0000 | |
| 179 | G | C | -2.4524 | |
| 180 | V | C | 0.0000 | |
| 181 | R | C | 0.0000 | |
| 182 | V | C | 0.0000 | |
| 183 | N | C | 0.0000 | |
| 184 | T | C | 0.0000 | |
| 185 | V | C | 0.0000 | |
| 186 | H | C | 0.0000 | |
| 187 | P | C | 0.0000 | |
| 188 | G | C | 0.0000 | |
| 189 | Y | C | 0.0000 | |
| 190 | I | C | 0.0000 | |
| 191 | R | C | -2.6561 | |
| 192 | T | C | 0.0000 | |
| 193 | P | C | -1.3892 | |
| 194 | M | C | -0.7032 | |
| 195 | V | C | 0.0000 | |
| 196 | E | C | -2.8437 | |
| 197 | G | C | -1.4308 | |
| 198 | L | C | -1.0055 | |
| 199 | S | C | -1.0943 | |
| 200 | G | C | -1.2437 | |
| 201 | F | C | -1.5046 | |
| 202 | E | C | -2.7850 | |
| 203 | A | C | -1.5151 | |
| 204 | A | C | -1.2479 | |
| 205 | M | C | 0.0000 | |
| 206 | S | C | -1.7699 | |
| 207 | E | C | -2.5511 | |
| 208 | R | C | -1.5536 | |
| 209 | T | C | -1.2360 | |
| 210 | K | C | -1.4238 | |
| 211 | T | C | 0.0000 | |
| 212 | P | C | 0.0000 | |
| 213 | M | C | -0.9511 | |
| 214 | G | C | -1.4672 | |
| 215 | H | C | -1.6017 | |
| 216 | I | C | 0.0000 | |
| 217 | G | C | 0.0000 | |
| 218 | D | C | -1.2351 | |
| 219 | P | C | -1.0104 | |
| 220 | D | C | -0.8345 | |
| 221 | D | C | 0.0000 | |
| 222 | I | C | 0.0000 | |
| 223 | G | C | 0.0000 | |
| 224 | Y | C | -0.3033 | |
| 225 | I | C | 0.0000 | |
| 226 | C | C | 0.0000 | |
| 227 | V | C | 0.0000 | |
| 228 | Y | C | 0.0000 | |
| 229 | L | C | 0.0000 | |
| 230 | A | C | 0.0000 | |
| 231 | S | C | 0.0000 | |
| 232 | D | C | -2.1747 | |
| 233 | E | C | 0.0000 | |
| 234 | S | C | 0.0000 | |
| 235 | K | C | -1.9666 | |
| 236 | F | C | 0.0000 | |
| 237 | A | C | 0.0000 | |
| 238 | T | C | 0.0000 | |
| 239 | G | C | 0.0000 | |
| 240 | S | C | 0.0000 | |
| 241 | E | C | -0.1904 | |
| 242 | F | C | 0.0000 | |
| 243 | V | C | 0.1298 | |
| 244 | V | C | 0.0000 | |
| 245 | D | C | 0.0000 | |
| 246 | G | C | 0.0000 | |
| 247 | G | C | 0.0000 | |
| 248 | Y | C | 0.0000 | |
| 249 | T | C | 0.0000 | |
| 250 | A | C | 0.0000 | |
| 251 | Q | C | -0.7276 | |
| 1 | M | D | 0.3924 | |
| 2 | N | D | -0.8957 | |
| 3 | R | D | -1.0233 | |
| 4 | L | D | 0.0000 | |
| 5 | Q | D | -2.1802 | |
| 6 | N | D | -2.2294 | |
| 7 | K | D | -1.5220 | |
| 8 | V | D | 0.0000 | |
| 9 | A | D | 0.0000 | |
| 10 | I | D | 0.0000 | |
| 11 | I | D | 0.0000 | |
| 12 | T | D | 0.0000 | |
| 13 | G | D | -1.0921 | |
| 14 | G | D | 0.0000 | |
| 15 | T | D | -1.3433 | |
| 16 | K | D | -1.4102 | |
| 17 | G | D | -1.2006 | |
| 18 | I | D | -0.8014 | |
| 19 | G | D | 0.0000 | |
| 20 | Y | D | -0.7972 | |
| 21 | G | D | 0.0000 | |
| 22 | I | D | 0.0000 | |
| 23 | A | D | 0.0000 | |
| 24 | K | D | -1.4436 | |
| 25 | R | D | -0.8496 | |
| 26 | F | D | 0.0000 | |
| 27 | L | D | -0.7458 | |
| 28 | A | D | -0.5170 | |
| 29 | E | D | 0.0000 | |
| 30 | G | D | -1.1765 | |
| 31 | A | D | 0.0000 | |
| 32 | K | D | -0.8146 | |
| 33 | V | D | 0.0000 | |
| 34 | V | D | 0.0000 | |
| 35 | I | D | 0.0000 | |
| 36 | T | D | 0.0000 | |
| 37 | G | D | -1.9149 | |
| 38 | R | D | -2.8375 | |
| 39 | N | D | -2.5795 | |
| 40 | A | D | -2.2771 | |
| 41 | E | D | -2.6543 | |
| 42 | V | D | -1.5859 | |
| 43 | G | D | 0.0000 | |
| 44 | E | D | -2.5756 | |
| 45 | A | D | -1.5290 | |
| 46 | A | D | 0.0000 | |
| 47 | A | D | 0.0000 | |
| 48 | A | D | -1.7780 | |
| 49 | D | D | -2.3961 | |
| 50 | L | D | -1.5804 | |
| 51 | G | D | -1.6891 | |
| 52 | D | D | -2.1464 | |
| 53 | P | D | -1.0051 | |
| 54 | S | D | -0.6037 | |
| 55 | V | D | -0.5159 | |
| 56 | V | D | 0.0000 | |
| 57 | T | D | -0.5298 | |
| 58 | Y | D | -0.4750 | |
| 59 | L | D | -1.0244 | |
| 60 | Q | D | -2.1679 | |
| 61 | Q | D | 0.0000 | |
| 62 | D | D | -2.0009 | |
| 63 | V | D | 0.0000 | |
| 64 | T | D | -1.0747 | |
| 65 | D | D | -1.8877 | |
| 66 | E | D | -1.5906 | |
| 67 | A | D | -1.2865 | |
| 68 | R | D | -2.2673 | |
| 69 | W | D | 0.0000 | |
| 70 | T | D | -2.0704 | |
| 71 | E | D | -2.9664 | |
| 72 | V | D | 0.0000 | |
| 73 | Y | D | 0.0000 | |
| 74 | D | D | -2.8827 | |
| 75 | Q | D | -1.8113 | |
| 76 | T | D | 0.0000 | |
| 77 | E | D | -1.3043 | |
| 78 | A | D | -0.4698 | |
| 79 | L | D | 0.3099 | |
| 80 | Y | D | -0.0885 | |
| 81 | G | D | -0.6273 | |
| 82 | P | D | -0.9218 | |
| 83 | V | D | 0.0000 | |
| 84 | T | D | 0.0000 | |
| 85 | T | D | 0.0000 | |
| 86 | L | D | 0.0000 | |
| 87 | V | D | 0.0000 | |
| 88 | N | D | 0.0000 | |
| 89 | N | D | -0.1777 | |
| 90 | S | D | -0.3850 | |
| 91 | G | D | 0.0262 | |
| 92 | I | D | 0.6464 | |
| 93 | A | D | 0.1917 | |
| 94 | I | D | -0.1567 | |
| 95 | G | D | -1.0737 | |
| 96 | K | D | -1.7758 | |
| 97 | N | D | -1.7694 | |
| 98 | V | D | 0.0000 | |
| 99 | E | D | -1.6855 | |
| 100 | D | D | -2.4508 | |
| 101 | T | D | 0.0000 | |
| 102 | T | D | -1.5392 | |
| 103 | T | D | -1.5882 | |
| 104 | E | D | -2.3213 | |
| 105 | D | D | -1.7203 | |
| 106 | W | D | 0.0000 | |
| 107 | H | D | -1.7548 | |
| 108 | T | D | -0.9882 | |
| 109 | L | D | 0.0000 | |
| 110 | L | D | 0.0000 | |
| 111 | A | D | -0.4687 | |
| 112 | I | D | 0.0000 | |
| 113 | N | D | 0.0000 | |
| 114 | L | D | 0.0000 | |
| 115 | D | D | -0.6029 | |
| 116 | A | D | 0.0000 | |
| 117 | V | D | 0.0000 | |
| 118 | F | D | 0.0000 | |
| 119 | F | D | 0.0000 | |
| 120 | G | D | 0.0000 | |
| 121 | T | D | 0.0000 | |
| 122 | R | D | -0.8895 | |
| 123 | L | D | -0.7469 | |
| 124 | A | D | 0.0000 | |
| 125 | I | D | 0.0000 | |
| 126 | K | D | -2.1265 | |
| 127 | R | D | -2.8838 | |
| 128 | M | D | 0.0000 | |
| 129 | K | D | -3.3859 | |
| 130 | N | D | -3.7234 | |
| 131 | K | D | -3.4618 | |
| 132 | N | D | -2.6633 | |
| 133 | L | D | -1.4842 | |
| 134 | G | D | -1.6348 | |
| 135 | G | D | 0.0000 | |
| 136 | S | D | 0.0000 | |
| 137 | I | D | 0.0000 | |
| 138 | I | D | 0.0000 | |
| 139 | N | D | 0.0000 | |
| 140 | M | D | 0.0000 | |
| 141 | S | D | 0.0000 | |
| 142 | S | D | 0.0000 | |
| 143 | I | D | 0.0000 | |
| 144 | E | D | 0.0000 | |
| 145 | G | D | 0.0000 | |
| 146 | F | D | 0.7975 | |
| 147 | I | D | 0.0000 | |
| 148 | G | D | 0.0000 | |
| 149 | D | D | 0.0000 | |
| 150 | P | D | -0.5622 | |
| 151 | N | D | -1.3573 | |
| 152 | L | D | 0.0000 | |
| 153 | A | D | 0.0000 | |
| 154 | A | D | 0.0000 | |
| 155 | Y | D | 0.0000 | |
| 156 | N | D | 0.0000 | |
| 157 | A | D | 0.0000 | |
| 158 | S | D | 0.0000 | |
| 159 | K | D | 0.0000 | |
| 160 | G | D | 0.0000 | |
| 161 | A | D | 0.0000 | |
| 162 | V | D | 0.0000 | |
| 163 | R | D | 0.0019 | |
| 164 | I | D | 0.0000 | |
| 165 | F | D | 0.0000 | |
| 166 | S | D | 0.0000 | |
| 167 | K | D | 0.0000 | |
| 168 | S | D | 0.0000 | |
| 169 | A | D | 0.0000 | |
| 170 | A | D | 0.0000 | |
| 171 | L | D | 0.0000 | |
| 172 | H | D | 0.0000 | |
| 173 | C | D | 0.0000 | |
| 174 | A | D | 0.0000 | |
| 175 | I | D | -0.4789 | |
| 176 | N | D | -1.9767 | |
| 177 | D | D | -2.5342 | |
| 178 | L | D | 0.0000 | |
| 179 | G | D | -2.3246 | |
| 180 | V | D | 0.0000 | |
| 181 | R | D | 0.0000 | |
| 182 | V | D | 0.0000 | |
| 183 | N | D | 0.0000 | |
| 184 | T | D | 0.0000 | |
| 185 | V | D | 0.0000 | |
| 186 | H | D | 0.0000 | |
| 187 | P | D | 0.0000 | |
| 188 | G | D | 0.0000 | |
| 189 | Y | D | 0.0000 | |
| 190 | I | D | 0.0000 | |
| 191 | R | D | -2.5852 | |
| 192 | T | D | 0.0000 | |
| 193 | P | D | -1.4344 | |
| 194 | M | D | -0.9574 | |
| 195 | V | D | 0.0000 | |
| 196 | E | D | -2.7454 | |
| 197 | G | D | -1.5451 | |
| 198 | L | D | -1.1606 | |
| 199 | S | D | -1.1966 | |
| 200 | G | D | -1.4218 | |
| 201 | F | D | 0.0000 | |
| 202 | E | D | -2.9491 | |
| 203 | A | D | -1.5057 | |
| 204 | A | D | -1.3544 | |
| 205 | M | D | 0.0000 | |
| 206 | S | D | -1.8280 | |
| 207 | E | D | -2.5015 | |
| 208 | R | D | -1.6413 | |
| 209 | T | D | -1.1209 | |
| 210 | K | D | -1.3369 | |
| 211 | T | D | 0.0000 | |
| 212 | P | D | 0.0000 | |
| 213 | M | D | -1.0260 | |
| 214 | G | D | -1.4533 | |
| 215 | H | D | -1.5786 | |
| 216 | I | D | 0.0000 | |
| 217 | G | D | 0.0000 | |
| 218 | D | D | -1.6351 | |
| 219 | P | D | -1.4053 | |
| 220 | D | D | -1.5104 | |
| 221 | D | D | 0.0000 | |
| 222 | I | D | 0.0000 | |
| 223 | G | D | 0.0000 | |
| 224 | Y | D | -0.3673 | |
| 225 | I | D | 0.0000 | |
| 226 | C | D | 0.0000 | |
| 227 | V | D | 0.0000 | |
| 228 | Y | D | 0.0000 | |
| 229 | L | D | 0.0000 | |
| 230 | A | D | 0.0000 | |
| 231 | S | D | 0.0000 | |
| 232 | D | D | -2.1860 | |
| 233 | E | D | 0.0000 | |
| 234 | S | D | 0.0000 | |
| 235 | K | D | -1.7237 | |
| 236 | F | D | 0.0000 | |
| 237 | A | D | 0.0000 | |
| 238 | T | D | 0.0000 | |
| 239 | G | D | 0.0000 | |
| 240 | S | D | 0.0000 | |
| 241 | E | D | -0.2781 | |
| 242 | F | D | 0.0000 | |
| 243 | V | D | 0.1455 | |
| 244 | V | D | 0.0000 | |
| 245 | D | D | 0.0000 | |
| 246 | G | D | 0.0000 | |
| 247 | G | D | 0.0000 | |
| 248 | Y | D | -0.1228 | |
| 249 | T | D | 0.0444 | |
| 250 | A | D | 0.0000 | |
| 251 | Q | D | -0.3952 |
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