| Chain sequence(s) |
A: MNRRFEGKVVLITGGSSGIGRATAIEFAREGATVVVTDIDEKKGNELVEEMLQVAAKCKFILQDVSDPSSHDSVVKSIIEEYGKLDVAFNNAGVAGKAAPLAEYSDEDWSKVVNINLNGVFYGMRVQLKQMLKQGYGAIVNNSSILGKVSFEGTPAYTAAKHAVIGLTRSAAVDYSKKGIRVNAVGPAFIKTPMLEENLGEEMMNSLASLHAVKRLGESKEVAKAVVFLASDDASFISGETLMVDGGYTAQ
C: MNRRFEGKVVLITGGSSGIGRATAIEFAREGATVVVTDIDEKKGNELVEEMLQVAAKCKFILQDVSDPSSHDSVVKSIIEEYGKLDVAFNNAGVAGKAAPLAEYSDEDWSKVVNINLNGVFYGMRVQLKQMLKQGYGAIVNNSSILGKVSFEGTPAYTAAKHAVIGLTRSAAVDYSKKGIRVNAVGPAFIKTPMLEENLGEEMMNSLASLHAVKRLGESKEVAKAVVFLASDDASFISGETLMVDGGYTAQ B: MNRRFEGKVVLITGGSSGIGRATAIEFAREGATVVVTDIDEKKGNELVEEMLQVAAKCKFILQDVSDPSSHDSVVKSIIEEYGKLDVAFNNAGVAGKAAPLAEYSDEDWSKVVNINLNGVFYGMRVQLKQMLKQGYGAIVNNSSILGKVSFEGTPAYTAAKHAVIGLTRSAAVDYSKKGIRVNAVGPAFIKTPMLEENLGEEMMNSLASLHAVKRLGESKEVAKAVVFLASDDASFISGETLMVDGGYTAQ D: MNRRFEGKVVLITGGSSGIGRATAIEFAREGATVVVTDIDEKKGNELVEEMLQVAAKCKFILQDVSDPSSHDSVVKSIIEEYGKLDVAFNNAGVAGKAAPLAEYSDEDWSKVVNINLNGVFYGMRVQLKQMLKQGYGAIVNNSSILGKVSFEGTPAYTAAKHAVIGLTRSAAVDYSKKGIRVNAVGPAFIKTPMLEENLGEEMMNSLASLHAVKRLGESKEVAKAVVFLASDDASFISGETLMVDGGYTAQ input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | IY145A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.51458 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Building mutant model (00:07:10)
[INFO] FoldX: Starting FoldX energy minimalization (00:07:27)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:13:37)
[INFO] Main: Simulation completed successfully. (00:13:48)
|
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 | -0.1991 | |
| 2 | N | A | 0.0000 | |
| 3 | R | A | 0.0000 | |
| 4 | R | A | -1.2007 | |
| 5 | F | A | 0.0000 | |
| 6 | E | A | -2.2430 | |
| 7 | G | A | -1.8757 | |
| 8 | K | A | -1.1966 | |
| 9 | V | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | L | A | 0.0000 | |
| 12 | I | A | 0.0000 | |
| 13 | T | A | 0.0000 | |
| 14 | G | A | 0.0501 | |
| 15 | G | A | 0.0000 | |
| 16 | S | A | 0.0000 | |
| 17 | S | A | -0.8564 | |
| 18 | G | A | 0.0000 | |
| 19 | I | A | -0.5428 | |
| 20 | G | A | 0.0000 | |
| 21 | R | A | -1.2217 | |
| 22 | A | A | 0.0000 | |
| 23 | T | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | I | A | -0.1679 | |
| 26 | E | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | A | A | -0.6916 | |
| 29 | R | A | -1.0106 | |
| 30 | E | A | 0.0000 | |
| 31 | G | A | -1.5635 | |
| 32 | A | A | 0.0000 | |
| 33 | T | A | -1.2752 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | T | A | 0.0000 | |
| 38 | D | A | -0.1710 | |
| 39 | I | A | 0.7757 | |
| 40 | D | A | -1.4333 | |
| 41 | E | A | -2.8299 | |
| 42 | K | A | -3.7705 | |
| 43 | K | A | -3.6487 | |
| 44 | G | A | 0.0000 | |
| 45 | N | A | -3.7290 | |
| 46 | E | A | -4.2304 | |
| 47 | L | A | 0.0000 | |
| 48 | V | A | -2.1028 | |
| 49 | E | A | -2.6666 | |
| 50 | E | A | -1.6095 | |
| 51 | M | A | 0.0000 | |
| 52 | L | A | 0.3039 | |
| 53 | Q | A | -0.3326 | |
| 54 | V | A | 0.9363 | |
| 55 | A | A | 0.2395 | |
| 56 | A | A | 0.0000 | |
| 57 | K | A | -1.4027 | |
| 58 | C | A | -1.0469 | |
| 59 | K | A | -1.2038 | |
| 60 | F | A | -0.4751 | |
| 61 | I | A | 0.5712 | |
| 62 | L | A | 0.6487 | |
| 63 | Q | A | 0.0000 | |
| 64 | D | A | -0.4740 | |
| 65 | V | A | 0.0000 | |
| 66 | S | A | -1.0324 | |
| 67 | D | A | -1.5440 | |
| 68 | P | A | -1.4067 | |
| 69 | S | A | -1.0929 | |
| 70 | S | A | -1.0675 | |
| 71 | H | A | 0.0000 | |
| 72 | D | A | -2.3725 | |
| 73 | S | A | -1.4430 | |
| 74 | V | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | K | A | -2.2236 | |
| 77 | S | A | -1.7337 | |
| 78 | I | A | 0.0000 | |
| 79 | I | A | -1.3013 | |
| 80 | E | A | -2.5767 | |
| 81 | E | A | -2.4510 | |
| 82 | Y | A | -1.1792 | |
| 83 | G | A | -1.2365 | |
| 84 | K | A | -1.3388 | |
| 85 | L | A | 0.0000 | |
| 86 | D | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | N | A | 0.0000 | |
| 91 | N | A | -0.2488 | |
| 92 | A | A | 0.0000 | |
| 93 | G | A | 0.1334 | |
| 94 | V | A | 0.6075 | |
| 95 | A | A | 0.2514 | |
| 96 | G | A | -0.9392 | |
| 97 | K | A | -1.6923 | |
| 98 | A | A | -1.2305 | |
| 99 | A | A | -1.3379 | |
| 100 | P | A | -1.2303 | |
| 101 | L | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | E | A | -2.0291 | |
| 104 | Y | A | 0.0000 | |
| 105 | S | A | -1.6830 | |
| 106 | D | A | -2.0112 | |
| 107 | E | A | -2.7107 | |
| 108 | D | A | -2.4309 | |
| 109 | W | A | 0.0000 | |
| 110 | S | A | -1.9775 | |
| 111 | K | A | -2.4375 | |
| 112 | V | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | N | A | -1.3277 | |
| 115 | I | A | -0.5291 | |
| 116 | N | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | N | A | -0.7523 | |
| 119 | G | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | Y | A | -0.7766 | |
| 123 | G | A | 0.0000 | |
| 124 | M | A | 0.0000 | |
| 125 | R | A | -1.3125 | |
| 126 | V | A | -0.9156 | |
| 127 | Q | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | K | A | -1.6096 | |
| 130 | Q | A | 0.0000 | |
| 131 | M | A | 0.0000 | |
| 132 | L | A | -0.9476 | |
| 133 | K | A | -2.1780 | |
| 134 | Q | A | -1.8720 | |
| 135 | G | A | -1.0879 | |
| 136 | Y | A | 0.0484 | |
| 137 | G | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | N | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | Y | A | 0.0000 | mutated: IY145A |
| 146 | L | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | K | A | -0.6591 | |
| 149 | V | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | F | A | -0.4628 | |
| 152 | E | A | -1.2612 | |
| 153 | G | A | -1.1676 | |
| 154 | T | A | -0.6524 | |
| 155 | P | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | Y | A | 0.0276 | |
| 158 | T | A | 0.0000 | |
| 159 | A | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | K | A | 0.0000 | |
| 162 | H | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | T | A | 0.0000 | |
| 169 | R | A | -0.3888 | |
| 170 | S | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | D | A | 0.0000 | |
| 175 | Y | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | K | A | -2.0598 | |
| 178 | K | A | -1.6805 | |
| 179 | G | A | -0.5543 | |
| 180 | I | A | 0.0000 | |
| 181 | R | A | -0.3601 | |
| 182 | V | A | 0.0000 | |
| 183 | N | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | P | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | F | A | -0.1105 | |
| 190 | I | A | 0.0000 | |
| 191 | K | A | -1.4654 | |
| 192 | T | A | 0.0000 | |
| 193 | P | A | -0.8957 | |
| 194 | M | A | 0.1359 | |
| 195 | L | A | -0.7694 | |
| 196 | E | A | -2.2197 | |
| 197 | E | A | -2.5823 | |
| 198 | N | A | -1.8767 | |
| 199 | L | A | -1.2080 | |
| 200 | G | A | -2.0430 | |
| 201 | E | A | -2.9686 | |
| 202 | E | A | -2.8593 | |
| 203 | M | A | -1.2620 | |
| 204 | M | A | -1.8386 | |
| 205 | N | A | -2.6767 | |
| 206 | S | A | -1.5164 | |
| 207 | L | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | S | A | -1.0498 | |
| 210 | L | A | -0.2456 | |
| 211 | H | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | V | A | -1.3311 | |
| 214 | K | A | -2.3542 | |
| 215 | R | A | -1.8570 | |
| 216 | L | A | -1.1417 | |
| 217 | G | A | 0.0000 | |
| 218 | E | A | -1.6767 | |
| 219 | S | A | 0.0000 | |
| 220 | K | A | -1.3669 | |
| 221 | E | A | -1.1773 | |
| 222 | V | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | K | A | -0.4565 | |
| 225 | A | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | S | A | 0.0000 | |
| 232 | D | A | -1.4878 | |
| 233 | D | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | S | A | -0.7762 | |
| 236 | F | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | S | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | E | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | M | 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 | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | Q | A | -0.5524 | |
| 1 | M | B | -0.5820 | |
| 2 | N | B | -1.1543 | |
| 3 | R | B | 0.0000 | |
| 4 | R | B | -2.5250 | |
| 5 | F | B | 0.0000 | |
| 6 | E | B | -2.6443 | |
| 7 | G | B | -1.7817 | |
| 8 | K | B | -1.8701 | |
| 9 | V | B | 0.0000 | |
| 10 | V | B | 0.0000 | |
| 11 | L | B | 0.0000 | |
| 12 | I | B | 0.0000 | |
| 13 | T | B | 0.0000 | |
| 14 | G | B | 0.1043 | |
| 15 | G | B | 0.0000 | |
| 16 | S | B | 0.0000 | |
| 17 | S | B | -0.4706 | |
| 18 | G | B | 0.0000 | |
| 19 | I | B | 0.0000 | |
| 20 | G | B | 0.0000 | |
| 21 | R | B | -0.7869 | |
| 22 | A | B | -0.5839 | |
| 23 | T | B | 0.0000 | |
| 24 | A | B | 0.0000 | |
| 25 | I | B | -0.5218 | |
| 26 | E | B | 0.0000 | |
| 27 | F | B | 0.0000 | |
| 28 | A | B | 0.0000 | |
| 29 | R | B | -1.8628 | |
| 30 | E | B | 0.0000 | |
| 31 | G | B | -1.9207 | |
| 32 | A | B | 0.0000 | |
| 33 | T | B | -1.3101 | |
| 34 | V | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | V | B | 0.0000 | |
| 37 | T | B | 0.0000 | |
| 38 | D | B | 0.1556 | |
| 39 | I | B | 1.0236 | |
| 40 | D | B | -1.0600 | |
| 41 | E | B | -2.1048 | |
| 42 | K | B | -3.2284 | |
| 43 | K | B | -3.1210 | |
| 44 | G | B | 0.0000 | |
| 45 | N | B | -3.0067 | |
| 46 | E | B | -3.5070 | |
| 47 | L | B | 0.0000 | |
| 48 | V | B | -1.8461 | |
| 49 | E | B | -2.7256 | |
| 50 | E | B | -1.9084 | |
| 51 | M | B | 0.0000 | |
| 52 | L | B | -0.3713 | |
| 53 | Q | B | -0.9234 | |
| 54 | V | B | -0.2725 | |
| 55 | A | B | -0.2838 | |
| 56 | A | B | -0.7086 | |
| 57 | K | B | -1.4723 | |
| 58 | C | B | -0.8480 | |
| 59 | K | B | -0.6252 | |
| 60 | F | B | -0.0265 | |
| 61 | I | B | 0.8647 | |
| 62 | L | B | 1.1348 | |
| 63 | Q | B | 0.0000 | |
| 64 | D | B | -0.6776 | |
| 65 | V | B | 0.0000 | |
| 66 | S | B | -1.1133 | |
| 67 | D | B | -1.3929 | |
| 68 | P | B | -1.1054 | |
| 69 | S | B | -1.0753 | |
| 70 | S | B | -1.1017 | |
| 71 | H | B | 0.0000 | |
| 72 | D | B | -2.0914 | |
| 73 | S | B | -1.4621 | |
| 74 | V | B | 0.0000 | |
| 75 | V | B | 0.0000 | |
| 76 | K | B | -2.7119 | |
| 77 | S | B | -1.7297 | |
| 78 | I | B | 0.0000 | |
| 79 | I | B | -1.7568 | |
| 80 | E | B | -2.7979 | |
| 81 | E | B | -2.5692 | |
| 82 | Y | B | 0.0000 | |
| 83 | G | B | -1.7596 | |
| 84 | K | B | -2.2192 | |
| 85 | L | B | 0.0000 | |
| 86 | D | B | 0.0000 | |
| 87 | V | B | 0.0000 | |
| 88 | A | B | 0.0000 | |
| 89 | F | B | 0.0000 | |
| 90 | N | B | 0.0000 | |
| 91 | N | B | -0.2510 | |
| 92 | A | B | 0.0000 | |
| 93 | G | B | -0.1680 | |
| 94 | V | B | 0.1691 | |
| 95 | A | B | -0.2640 | |
| 96 | G | B | -1.0662 | |
| 97 | K | B | -1.9184 | |
| 98 | A | B | -1.0951 | |
| 99 | A | B | -1.2565 | |
| 100 | P | B | -0.9749 | |
| 101 | L | B | 0.0000 | |
| 102 | A | B | 0.0000 | |
| 103 | E | B | -2.3657 | |
| 104 | Y | B | 0.0000 | |
| 105 | S | B | -1.5938 | |
| 106 | D | B | -2.0813 | |
| 107 | E | B | -2.6715 | |
| 108 | D | B | -2.2858 | |
| 109 | W | B | 0.0000 | |
| 110 | S | B | -1.7065 | |
| 111 | K | B | -2.0017 | |
| 112 | V | B | 0.0000 | |
| 113 | V | B | 0.0000 | |
| 114 | N | B | -0.9745 | |
| 115 | I | B | -0.4378 | |
| 116 | N | B | 0.0000 | |
| 117 | L | B | 0.0000 | |
| 118 | N | B | -0.3631 | |
| 119 | G | B | 0.0000 | |
| 120 | V | B | 0.0000 | |
| 121 | F | B | 0.0000 | |
| 122 | Y | B | -0.4201 | |
| 123 | G | B | 0.0000 | |
| 124 | M | B | 0.0000 | |
| 125 | R | B | -1.1434 | |
| 126 | V | B | -0.9993 | |
| 127 | Q | B | 0.0000 | |
| 128 | L | B | 0.0000 | |
| 129 | K | B | -2.1454 | |
| 130 | Q | B | 0.0000 | |
| 131 | M | B | 0.0000 | |
| 132 | L | B | -0.9260 | |
| 133 | K | B | -1.9825 | |
| 134 | Q | B | -1.2632 | |
| 135 | G | B | -0.8785 | |
| 136 | Y | B | -0.1729 | |
| 137 | G | B | -0.1971 | |
| 138 | A | B | 0.0000 | |
| 139 | I | B | 0.0000 | |
| 140 | V | B | 0.0000 | |
| 141 | N | B | 0.0000 | |
| 142 | N | B | 0.0000 | |
| 143 | S | B | 0.0000 | |
| 144 | S | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | L | B | -0.0015 | |
| 147 | G | B | 0.0000 | |
| 148 | K | B | -0.7042 | |
| 149 | V | B | 0.0000 | |
| 150 | S | B | 0.0000 | |
| 151 | F | B | 0.1465 | |
| 152 | E | B | -0.5234 | |
| 153 | G | B | -0.7727 | |
| 154 | T | B | -0.3029 | |
| 155 | P | B | 0.0000 | |
| 156 | A | B | 0.0000 | |
| 157 | Y | B | 0.2423 | |
| 158 | T | B | 0.0000 | |
| 159 | A | B | 0.0000 | |
| 160 | A | B | 0.0000 | |
| 161 | K | B | 0.0000 | |
| 162 | H | B | -0.2941 | |
| 163 | A | B | 0.0000 | |
| 164 | V | B | 0.0000 | |
| 165 | I | B | 0.0000 | |
| 166 | G | B | 0.0000 | |
| 167 | L | B | 0.0000 | |
| 168 | T | B | 0.0000 | |
| 169 | R | B | -0.3891 | |
| 170 | S | B | 0.0000 | |
| 171 | A | B | 0.0000 | |
| 172 | A | B | 0.0000 | |
| 173 | V | B | 0.0000 | |
| 174 | D | B | 0.0000 | |
| 175 | Y | B | 0.0000 | |
| 176 | S | B | 0.0000 | |
| 177 | K | B | -1.9181 | |
| 178 | K | B | -1.9174 | |
| 179 | G | B | -0.8488 | |
| 180 | I | B | 0.0000 | |
| 181 | R | B | -0.5232 | |
| 182 | V | B | 0.0000 | |
| 183 | N | B | 0.0000 | |
| 184 | A | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | G | B | 0.0000 | |
| 187 | P | B | 0.0000 | |
| 188 | A | B | 0.3796 | |
| 189 | F | B | 0.1793 | |
| 190 | I | B | 0.0000 | |
| 191 | K | B | -1.5053 | |
| 192 | T | B | 0.0000 | |
| 193 | P | B | -1.1249 | |
| 194 | M | B | -0.1210 | |
| 195 | L | B | -1.0613 | |
| 196 | E | B | -2.7960 | |
| 197 | E | B | -2.8688 | |
| 198 | N | B | -2.2246 | |
| 199 | L | B | -2.0346 | |
| 200 | G | B | -2.4545 | |
| 201 | E | B | -3.1225 | |
| 202 | E | B | -2.8765 | |
| 203 | M | B | -1.4498 | |
| 204 | M | B | -1.9365 | |
| 205 | N | B | -2.4950 | |
| 206 | S | B | -1.4000 | |
| 207 | L | B | 0.0000 | |
| 208 | A | B | 0.0000 | |
| 209 | S | B | -0.8341 | |
| 210 | L | B | -0.0223 | |
| 211 | H | B | 0.0000 | |
| 212 | A | B | 0.0000 | |
| 213 | V | B | 0.0000 | |
| 214 | K | B | -2.5671 | |
| 215 | R | B | -1.8877 | |
| 216 | L | B | -0.8896 | |
| 217 | G | B | 0.0000 | |
| 218 | E | B | -1.6347 | |
| 219 | S | B | -1.2812 | |
| 220 | K | B | -1.7578 | |
| 221 | E | B | 0.0000 | |
| 222 | V | B | 0.0000 | |
| 223 | A | B | 0.0000 | |
| 224 | K | B | -0.7667 | |
| 225 | A | B | 0.0000 | |
| 226 | V | B | 0.0000 | |
| 227 | V | B | 0.0000 | |
| 228 | F | B | 0.0000 | |
| 229 | L | B | 0.0000 | |
| 230 | A | B | 0.0000 | |
| 231 | S | B | 0.0000 | |
| 232 | D | B | -1.7200 | |
| 233 | D | B | 0.0000 | |
| 234 | A | B | 0.0000 | |
| 235 | S | B | -0.8093 | |
| 236 | F | B | 0.0000 | |
| 237 | I | B | 0.0000 | |
| 238 | S | B | 0.0000 | |
| 239 | G | B | 0.0000 | |
| 240 | E | B | 0.0000 | |
| 241 | T | B | 0.0000 | |
| 242 | L | B | 0.0000 | |
| 243 | M | 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 | 0.0000 | |
| 250 | A | B | 0.0000 | |
| 251 | Q | B | -0.3565 | |
| 1 | M | C | -0.3213 | |
| 2 | N | C | -1.1376 | |
| 3 | R | C | 0.0000 | |
| 4 | R | C | -2.4384 | |
| 5 | F | C | 0.0000 | |
| 6 | E | C | -2.6531 | |
| 7 | G | C | -1.7173 | |
| 8 | K | C | -1.2996 | |
| 9 | V | C | 0.0000 | |
| 10 | V | C | 0.0000 | |
| 11 | L | C | 0.0000 | |
| 12 | I | C | 0.0000 | |
| 13 | T | C | 0.0000 | |
| 14 | G | C | -0.1757 | |
| 15 | G | C | 0.0000 | |
| 16 | S | C | 0.0000 | |
| 17 | S | C | -0.6162 | |
| 18 | G | C | -0.3695 | |
| 19 | I | C | -0.4307 | |
| 20 | G | C | 0.0000 | |
| 21 | R | C | -0.7618 | |
| 22 | A | C | -0.6268 | |
| 23 | T | C | 0.0000 | |
| 24 | A | C | 0.0000 | |
| 25 | I | C | -0.1334 | |
| 26 | E | C | -1.1078 | |
| 27 | F | C | 0.0000 | |
| 28 | A | C | -1.1038 | |
| 29 | R | C | -1.6766 | |
| 30 | E | C | 0.0000 | |
| 31 | G | C | -1.9726 | |
| 32 | A | C | 0.0000 | |
| 33 | T | C | -1.1215 | |
| 34 | V | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | V | C | 0.0000 | |
| 37 | T | C | 0.0000 | |
| 38 | D | C | -0.6080 | |
| 39 | I | C | -0.3862 | |
| 40 | D | C | -2.3920 | |
| 41 | E | C | -2.8950 | |
| 42 | K | C | -3.6570 | |
| 43 | K | C | -3.4210 | |
| 44 | G | C | 0.0000 | |
| 45 | N | C | -3.3892 | |
| 46 | E | C | -3.7246 | |
| 47 | L | C | 0.0000 | |
| 48 | V | C | -1.9846 | |
| 49 | E | C | -2.7704 | |
| 50 | E | C | -1.9554 | |
| 51 | M | C | 0.0000 | |
| 52 | L | C | -0.0481 | |
| 53 | Q | C | -0.8658 | |
| 54 | V | C | -0.1715 | |
| 55 | A | C | -0.1018 | |
| 56 | A | C | 0.0000 | |
| 57 | K | C | -1.4977 | |
| 58 | C | C | -0.9737 | |
| 59 | K | C | -0.9614 | |
| 60 | F | C | -0.1965 | |
| 61 | I | C | 0.7309 | |
| 62 | L | C | 0.6434 | |
| 63 | Q | C | 0.0000 | |
| 64 | D | C | -0.5400 | |
| 65 | V | C | 0.0000 | |
| 66 | S | C | -1.0480 | |
| 67 | D | C | -1.2996 | |
| 68 | P | C | -0.9536 | |
| 69 | S | C | -0.8578 | |
| 70 | S | C | -0.9512 | |
| 71 | H | C | 0.0000 | |
| 72 | D | C | -1.6858 | |
| 73 | S | C | -1.3429 | |
| 74 | V | C | 0.0000 | |
| 75 | V | C | 0.0000 | |
| 76 | K | C | -2.6487 | |
| 77 | S | C | -2.0105 | |
| 78 | I | C | 0.0000 | |
| 79 | I | C | -1.7245 | |
| 80 | E | C | -2.9937 | |
| 81 | E | C | -2.7965 | |
| 82 | Y | C | -1.2463 | |
| 83 | G | C | -1.4804 | |
| 84 | K | C | -1.2664 | |
| 85 | L | C | 0.0000 | |
| 86 | D | C | 0.0000 | |
| 87 | V | C | 0.0000 | |
| 88 | A | C | 0.0000 | |
| 89 | F | C | 0.0000 | |
| 90 | N | C | 0.0000 | |
| 91 | N | C | -0.2530 | |
| 92 | A | C | 0.0000 | |
| 93 | G | C | -0.2946 | |
| 94 | V | C | -0.1000 | |
| 95 | A | C | -0.0905 | |
| 96 | G | C | -1.1719 | |
| 97 | K | C | -1.9065 | |
| 98 | A | C | -1.1533 | |
| 99 | A | C | -1.1219 | |
| 100 | P | C | -0.8506 | |
| 101 | L | C | 0.0000 | |
| 102 | A | C | 0.0000 | |
| 103 | E | C | -2.1446 | |
| 104 | Y | C | 0.0000 | |
| 105 | S | C | -1.5017 | |
| 106 | D | C | -1.5024 | |
| 107 | E | C | -2.4608 | |
| 108 | D | C | -2.1881 | |
| 109 | W | C | 0.0000 | |
| 110 | S | C | -1.6965 | |
| 111 | K | C | -2.2656 | |
| 112 | V | C | 0.0000 | |
| 113 | V | C | 0.0000 | |
| 114 | N | C | -1.1234 | |
| 115 | I | C | -0.6433 | |
| 116 | N | C | 0.0000 | |
| 117 | L | C | 0.0000 | |
| 118 | N | C | -0.5061 | |
| 119 | G | C | 0.0000 | |
| 120 | V | C | 0.0000 | |
| 121 | F | C | 0.0000 | |
| 122 | Y | C | -0.5332 | |
| 123 | G | C | 0.0000 | |
| 124 | M | C | 0.0000 | |
| 125 | R | C | -1.0998 | |
| 126 | V | C | 0.0000 | |
| 127 | Q | C | 0.0000 | |
| 128 | L | C | 0.0000 | |
| 129 | K | C | -1.9044 | |
| 130 | Q | C | -1.3901 | |
| 131 | M | C | 0.0000 | |
| 132 | L | C | -0.8742 | |
| 133 | K | C | -1.9334 | |
| 134 | Q | C | -1.2700 | |
| 135 | G | C | -0.9054 | |
| 136 | Y | C | -0.2064 | |
| 137 | G | C | 0.0000 | |
| 138 | A | C | 0.0000 | |
| 139 | I | C | 0.0000 | |
| 140 | V | C | 0.0000 | |
| 141 | N | C | 0.0000 | |
| 142 | N | C | 0.0000 | |
| 143 | S | C | 0.0000 | |
| 144 | S | C | 0.0000 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | G | C | 0.0000 | |
| 148 | K | C | -1.0161 | |
| 149 | V | C | 0.0000 | |
| 150 | S | C | 0.0000 | |
| 151 | F | C | 0.2916 | |
| 152 | E | C | -0.4529 | |
| 153 | G | C | -0.6753 | |
| 154 | T | C | -0.2379 | |
| 155 | P | C | 0.0000 | |
| 156 | A | C | 0.0000 | |
| 157 | Y | C | 0.0612 | |
| 158 | T | C | 0.0000 | |
| 159 | A | C | 0.0000 | |
| 160 | A | C | 0.0000 | |
| 161 | K | C | 0.0000 | |
| 162 | H | C | 0.0000 | |
| 163 | A | C | 0.0000 | |
| 164 | V | C | 0.0000 | |
| 165 | I | C | 0.0000 | |
| 166 | G | C | 0.0000 | |
| 167 | L | C | 0.0000 | |
| 168 | T | C | 0.0000 | |
| 169 | R | C | -0.3433 | |
| 170 | S | C | 0.0000 | |
| 171 | A | C | 0.0000 | |
| 172 | A | C | 0.0000 | |
| 173 | V | C | 0.0000 | |
| 174 | D | C | 0.0000 | |
| 175 | Y | C | 0.0000 | |
| 176 | S | C | 0.0000 | |
| 177 | K | C | -1.5655 | |
| 178 | K | C | -1.2478 | |
| 179 | G | C | -0.5884 | |
| 180 | I | C | 0.0000 | |
| 181 | R | C | 0.0000 | |
| 182 | V | C | 0.0000 | |
| 183 | N | C | 0.0000 | |
| 184 | A | C | 0.0000 | |
| 185 | V | C | 0.0000 | |
| 186 | G | C | 0.0000 | |
| 187 | P | C | 0.0000 | |
| 188 | A | C | 0.1696 | |
| 189 | F | C | 0.0619 | |
| 190 | I | C | 0.0000 | |
| 191 | K | C | -1.2964 | |
| 192 | T | C | 0.0000 | |
| 193 | P | C | -1.2129 | |
| 194 | M | C | -0.5438 | |
| 195 | L | C | -1.1361 | |
| 196 | E | C | -2.6251 | |
| 197 | E | C | -2.8118 | |
| 198 | N | C | -2.0670 | |
| 199 | L | C | -1.4572 | |
| 200 | G | C | -2.1110 | |
| 201 | E | C | -3.0204 | |
| 202 | E | C | -2.8639 | |
| 203 | M | C | -1.4459 | |
| 204 | M | C | -1.9268 | |
| 205 | N | C | -2.5655 | |
| 206 | S | C | -1.4494 | |
| 207 | L | C | 0.0000 | |
| 208 | A | C | 0.0000 | |
| 209 | S | C | -0.9480 | |
| 210 | L | C | 0.1510 | |
| 211 | H | C | 0.0000 | |
| 212 | A | C | 0.0000 | |
| 213 | V | C | -1.7518 | |
| 214 | K | C | -2.4716 | |
| 215 | R | C | -1.8514 | |
| 216 | L | C | -0.8053 | |
| 217 | G | C | 0.0000 | |
| 218 | E | C | -1.4310 | |
| 219 | S | C | -1.3083 | |
| 220 | K | C | -2.0421 | |
| 221 | E | C | 0.0000 | |
| 222 | V | C | 0.0000 | |
| 223 | A | C | 0.0000 | |
| 224 | K | C | -1.0042 | |
| 225 | A | C | 0.0000 | |
| 226 | V | C | 0.0000 | |
| 227 | V | C | 0.0000 | |
| 228 | F | C | 0.0000 | |
| 229 | L | C | 0.0000 | |
| 230 | A | C | 0.0000 | |
| 231 | S | C | 0.0000 | |
| 232 | D | C | -1.0711 | |
| 233 | D | C | 0.0000 | |
| 234 | A | C | 0.0000 | |
| 235 | S | C | -0.7308 | |
| 236 | F | C | 0.0000 | |
| 237 | I | C | 0.0000 | |
| 238 | S | C | 0.0000 | |
| 239 | G | C | 0.0000 | |
| 240 | E | C | 0.0000 | |
| 241 | T | C | -0.1389 | |
| 242 | L | C | 0.0000 | |
| 243 | M | C | 0.0000 | |
| 244 | V | C | 0.0000 | |
| 245 | D | C | 0.0000 | |
| 246 | G | C | 0.0000 | |
| 247 | G | C | 0.0000 | |
| 248 | Y | C | 0.0558 | |
| 249 | T | C | 0.0000 | |
| 250 | A | C | 0.0000 | |
| 251 | Q | C | -0.5915 | |
| 1 | M | D | -0.6142 | |
| 2 | N | D | -1.1607 | |
| 3 | R | D | 0.0000 | |
| 4 | R | D | -2.4656 | |
| 5 | F | D | 0.0000 | |
| 6 | E | D | -1.4656 | |
| 7 | G | D | -1.1573 | |
| 8 | K | D | -1.3369 | |
| 9 | V | D | 0.0000 | |
| 10 | V | D | 0.0000 | |
| 11 | L | D | 0.0000 | |
| 12 | I | D | 0.0000 | |
| 13 | T | D | 0.0000 | |
| 14 | G | D | 0.1204 | |
| 15 | G | D | 0.0000 | |
| 16 | S | D | 0.0000 | |
| 17 | S | D | -0.3828 | |
| 18 | G | D | 0.0000 | |
| 19 | I | D | -0.4319 | |
| 20 | G | D | 0.0000 | |
| 21 | R | D | -0.6713 | |
| 22 | A | D | 0.0000 | |
| 23 | T | D | 0.0000 | |
| 24 | A | D | 0.0000 | |
| 25 | I | D | -0.4763 | |
| 26 | E | D | 0.0000 | |
| 27 | F | D | 0.0000 | |
| 28 | A | D | 0.0000 | |
| 29 | R | D | -1.8058 | |
| 30 | E | D | 0.0000 | |
| 31 | G | D | -1.3451 | |
| 32 | A | D | 0.0000 | |
| 33 | T | D | -1.1161 | |
| 34 | V | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | V | D | 0.0000 | |
| 37 | T | D | 0.0000 | |
| 38 | D | D | -0.0184 | |
| 39 | I | D | 0.8878 | |
| 40 | D | D | -1.4144 | |
| 41 | E | D | -2.5535 | |
| 42 | K | D | -3.2917 | |
| 43 | K | D | -2.9326 | |
| 44 | G | D | 0.0000 | |
| 45 | N | D | -2.8690 | |
| 46 | E | D | -3.4964 | |
| 47 | L | D | 0.0000 | |
| 48 | V | D | -1.7573 | |
| 49 | E | D | -2.7798 | |
| 50 | E | D | -2.0318 | |
| 51 | M | D | 0.0000 | |
| 52 | L | D | -0.4713 | |
| 53 | Q | D | -1.1595 | |
| 54 | V | D | -0.5537 | |
| 55 | A | D | -0.3551 | |
| 56 | A | D | -0.9074 | |
| 57 | K | D | -1.3440 | |
| 58 | C | D | -1.0237 | |
| 59 | K | D | -0.7372 | |
| 60 | F | D | -0.0991 | |
| 61 | I | D | 0.7953 | |
| 62 | L | D | 0.9445 | |
| 63 | Q | D | 0.0000 | |
| 64 | D | D | -0.3231 | |
| 65 | V | D | 0.0000 | |
| 66 | S | D | -0.7701 | |
| 67 | D | D | -1.2275 | |
| 68 | P | D | -1.1411 | |
| 69 | S | D | -1.0960 | |
| 70 | S | D | -1.1283 | |
| 71 | H | D | 0.0000 | |
| 72 | D | D | -2.3521 | |
| 73 | S | D | -1.6324 | |
| 74 | V | D | 0.0000 | |
| 75 | V | D | 0.0000 | |
| 76 | K | D | -2.8080 | |
| 77 | S | D | -1.9580 | |
| 78 | I | D | 0.0000 | |
| 79 | I | D | -1.6283 | |
| 80 | E | D | -2.9529 | |
| 81 | E | D | -2.8613 | |
| 82 | Y | D | -1.6613 | |
| 83 | G | D | -1.6353 | |
| 84 | K | D | -1.7871 | |
| 85 | L | D | 0.0000 | |
| 86 | D | D | 0.0000 | |
| 87 | V | D | 0.0000 | |
| 88 | A | D | 0.0000 | |
| 89 | F | D | 0.0000 | |
| 90 | N | D | 0.0000 | |
| 91 | N | D | -0.2275 | |
| 92 | A | D | 0.0000 | |
| 93 | G | D | -0.0927 | |
| 94 | V | D | 0.2015 | |
| 95 | A | D | -0.2447 | |
| 96 | G | D | -1.1779 | |
| 97 | K | D | -1.6098 | |
| 98 | A | D | -0.9250 | |
| 99 | A | D | 0.0000 | |
| 100 | P | D | -1.1498 | |
| 101 | L | D | 0.0000 | |
| 102 | A | D | 0.0000 | |
| 103 | E | D | -2.2291 | |
| 104 | Y | D | 0.0000 | |
| 105 | S | D | -2.2452 | |
| 106 | D | D | -2.9660 | |
| 107 | E | D | -2.9805 | |
| 108 | D | D | -2.1797 | |
| 109 | W | D | 0.0000 | |
| 110 | S | D | -1.7663 | |
| 111 | K | D | -1.6858 | |
| 112 | V | D | 0.0000 | |
| 113 | V | D | 0.0000 | |
| 114 | N | D | -0.8687 | |
| 115 | I | D | -0.3365 | |
| 116 | N | D | 0.0000 | |
| 117 | L | D | 0.0000 | |
| 118 | N | D | -0.5066 | |
| 119 | G | D | 0.0000 | |
| 120 | V | D | 0.0000 | |
| 121 | F | D | 0.0000 | |
| 122 | Y | D | 0.0000 | |
| 123 | G | D | 0.0000 | |
| 124 | M | D | 0.0000 | |
| 125 | R | D | -1.0247 | |
| 126 | V | D | 0.0000 | |
| 127 | Q | D | 0.0000 | |
| 128 | L | D | 0.0000 | |
| 129 | K | D | -1.4392 | |
| 130 | Q | D | -1.2187 | |
| 131 | M | D | 0.0000 | |
| 132 | L | D | -0.9336 | |
| 133 | K | D | -1.9665 | |
| 134 | Q | D | -1.4324 | |
| 135 | G | D | -1.0164 | |
| 136 | Y | D | -0.3500 | |
| 137 | G | D | 0.0000 | |
| 138 | A | D | 0.0000 | |
| 139 | I | D | 0.0000 | |
| 140 | V | D | 0.0000 | |
| 141 | N | D | 0.0000 | |
| 142 | N | D | 0.0000 | |
| 143 | S | D | 0.0000 | |
| 144 | S | D | 0.0000 | |
| 145 | I | D | 0.0000 | |
| 146 | L | D | -0.0378 | |
| 147 | G | D | 0.0000 | |
| 148 | K | D | -0.7431 | |
| 149 | V | D | 0.0000 | |
| 150 | S | D | 0.0000 | |
| 151 | F | D | -0.0378 | |
| 152 | E | D | -0.7056 | |
| 153 | G | D | -0.6575 | |
| 154 | T | D | -0.4761 | |
| 155 | P | D | 0.0000 | |
| 156 | A | D | 0.0000 | |
| 157 | Y | D | 0.0209 | |
| 158 | T | D | 0.0000 | |
| 159 | A | D | 0.0000 | |
| 160 | A | D | 0.0000 | |
| 161 | K | D | 0.0000 | |
| 162 | H | D | 0.0000 | |
| 163 | A | D | 0.0000 | |
| 164 | V | D | 0.0000 | |
| 165 | I | D | 0.0000 | |
| 166 | G | D | 0.0000 | |
| 167 | L | D | 0.0000 | |
| 168 | T | D | 0.0000 | |
| 169 | R | D | -0.4641 | |
| 170 | S | D | 0.0000 | |
| 171 | A | D | 0.0000 | |
| 172 | A | D | 0.0000 | |
| 173 | V | D | -0.8723 | |
| 174 | D | D | 0.0000 | |
| 175 | Y | D | 0.0000 | |
| 176 | S | D | 0.0000 | |
| 177 | K | D | -2.8532 | |
| 178 | K | D | -2.3038 | |
| 179 | G | D | -1.1603 | |
| 180 | I | D | 0.0000 | |
| 181 | R | D | -0.7082 | |
| 182 | V | D | 0.0000 | |
| 183 | N | D | 0.0000 | |
| 184 | A | D | 0.0000 | |
| 185 | V | D | 0.0000 | |
| 186 | G | D | 0.0000 | |
| 187 | P | D | 0.0000 | |
| 188 | A | D | 0.2296 | |
| 189 | F | D | -0.0572 | |
| 190 | I | D | 0.0000 | |
| 191 | K | D | -1.8696 | |
| 192 | T | D | 0.0000 | |
| 193 | P | D | -0.9989 | |
| 194 | M | D | -0.2675 | |
| 195 | L | D | -1.1920 | |
| 196 | E | D | -2.7675 | |
| 197 | E | D | -2.8879 | |
| 198 | N | D | -2.2184 | |
| 199 | L | D | -1.8400 | |
| 200 | G | D | -2.1790 | |
| 201 | E | D | -2.8078 | |
| 202 | E | D | -2.8210 | |
| 203 | M | D | -1.2954 | |
| 204 | M | D | -1.7503 | |
| 205 | N | D | -2.4857 | |
| 206 | S | D | -1.3994 | |
| 207 | L | D | -0.6193 | |
| 208 | A | D | -1.1058 | |
| 209 | S | D | -0.8415 | |
| 210 | L | D | -0.0547 | |
| 211 | H | D | 0.0000 | |
| 212 | A | D | 0.0000 | |
| 213 | V | D | 0.0000 | |
| 214 | K | D | -2.1409 | |
| 215 | R | D | -1.6337 | |
| 216 | L | D | 0.0000 | |
| 217 | G | D | 0.0000 | |
| 218 | E | D | -2.1348 | |
| 219 | S | D | -1.2967 | |
| 220 | K | D | -1.4013 | |
| 221 | E | D | -1.1704 | |
| 222 | V | D | 0.0000 | |
| 223 | A | D | 0.0000 | |
| 224 | K | D | -0.3712 | |
| 225 | A | D | 0.0000 | |
| 226 | V | D | 0.0000 | |
| 227 | V | D | 0.0000 | |
| 228 | F | D | 0.0000 | |
| 229 | L | D | 0.0000 | |
| 230 | A | D | 0.0000 | |
| 231 | S | D | 0.0000 | |
| 232 | D | D | -2.3799 | |
| 233 | D | D | 0.0000 | |
| 234 | A | D | 0.0000 | |
| 235 | S | D | -1.0184 | |
| 236 | F | D | 0.0000 | |
| 237 | I | D | 0.0000 | |
| 238 | S | D | 0.0000 | |
| 239 | G | D | 0.0000 | |
| 240 | E | D | 0.0000 | |
| 241 | T | D | 0.0000 | |
| 242 | L | D | 0.0000 | |
| 243 | M | D | 0.0000 | |
| 244 | V | D | 0.0000 | |
| 245 | D | D | 0.0000 | |
| 246 | G | D | 0.0000 | |
| 247 | G | D | 0.0000 | |
| 248 | Y | D | 0.0000 | |
| 249 | T | D | -0.2358 | |
| 250 | A | D | 0.0000 | |
| 251 | Q | D | -0.2821 |
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