| Chain sequence(s) |
A: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLSPEHEEGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD
C: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLSPEHEEGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD B: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLSPEHEEGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD E: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLSPEHEEGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD D: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLSPEHEEGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD F: IRLYMFQSGTLKCKTNNIKMNADPAPYEIPVPWYLITHPKGNVVIDGGNAVECATDPEGHWGGITTVYWPDMTPEQGVEAQLQKLGIAKDSVRYVLQSHLHLDHTGAIGRFPKATHIVQRNEYEYAFTPDWFAAGGYIRKDFDKPGLKWQFLSPEHEEGYDLYGDGVIRMFYTPGHAPGHQSFLVSLPSAEKYLLAVDAAYTVDHWEEKALPGFLASTVDTVRSVQKLRALAEHEEAHVVTGHDPDAWPSFKQAPAYYD input PDB |
| Selected Chain(s) | A,B,C,D,E,F |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:33:02)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/64349e5019de29/tmp/folded.pdb (00:33:02)
[INFO] Main: Simulation completed successfully. (00:50:15)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | I | A | -0.3195 | |
| 2 | R | A | -0.9890 | |
| 3 | L | A | 0.0000 | |
| 4 | Y | A | 0.0000 | |
| 5 | M | A | 0.0000 | |
| 6 | F | A | 0.0000 | |
| 7 | Q | A | -0.5760 | |
| 8 | S | A | 0.0000 | |
| 9 | G | A | 0.0000 | |
| 10 | T | A | -0.8916 | |
| 11 | L | A | 0.0000 | |
| 12 | K | A | -1.6026 | |
| 13 | C | A | -1.0285 | |
| 14 | K | A | -1.8400 | |
| 15 | T | A | -1.5500 | |
| 16 | N | A | 0.0000 | |
| 17 | N | A | -0.6869 | |
| 18 | I | A | 0.0000 | |
| 19 | K | A | -0.9905 | |
| 20 | M | A | -0.3178 | |
| 21 | N | A | -1.1219 | |
| 22 | A | A | -1.5798 | |
| 23 | D | A | -2.5996 | |
| 24 | P | A | -1.8091 | |
| 25 | A | A | -1.0061 | |
| 26 | P | A | -1.2882 | |
| 27 | Y | A | -1.2602 | |
| 28 | E | A | -1.9984 | |
| 29 | I | A | 0.0000 | |
| 30 | P | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | W | A | 0.0000 | |
| 34 | Y | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | T | A | -0.4900 | |
| 38 | H | A | 0.0000 | |
| 39 | P | A | -0.7963 | |
| 40 | K | A | -1.4965 | |
| 41 | G | A | -1.1695 | |
| 42 | N | A | -0.8949 | |
| 43 | V | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | D | A | 0.0000 | |
| 47 | G | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | N | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | V | A | -0.7144 | |
| 52 | E | A | -1.3643 | |
| 53 | C | A | 0.0000 | |
| 54 | A | A | -1.1443 | |
| 55 | T | A | -1.4235 | |
| 56 | D | A | -2.5489 | |
| 57 | P | A | -2.1116 | |
| 58 | E | A | -2.7423 | |
| 59 | G | A | -2.1637 | |
| 60 | H | A | -1.9464 | |
| 61 | W | A | 0.0000 | |
| 62 | G | A | -1.4064 | |
| 63 | G | A | -0.7609 | |
| 64 | I | A | -0.0147 | |
| 65 | T | A | 0.0000 | |
| 66 | T | A | 0.0543 | |
| 67 | V | A | 0.5230 | |
| 68 | Y | A | -0.0403 | |
| 69 | W | A | -0.3690 | |
| 70 | P | A | 0.0000 | |
| 71 | D | A | -1.1322 | |
| 72 | M | A | -0.8202 | |
| 73 | T | A | -0.9996 | |
| 74 | P | A | -1.2697 | |
| 75 | E | A | -2.4308 | |
| 76 | Q | A | -1.3900 | |
| 77 | G | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | E | A | -1.4986 | |
| 80 | A | A | -1.7444 | |
| 81 | Q | A | -1.8298 | |
| 82 | L | A | 0.0000 | |
| 83 | Q | A | -2.5140 | |
| 84 | K | A | -2.5860 | |
| 85 | L | A | -1.1087 | |
| 86 | G | A | -1.2859 | |
| 87 | I | A | -1.1069 | |
| 88 | A | A | -1.2967 | |
| 89 | K | A | -2.5560 | |
| 90 | D | A | -2.8211 | |
| 91 | S | A | -1.7972 | |
| 92 | V | A | 0.0000 | |
| 93 | R | A | -1.5801 | |
| 94 | Y | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | Q | A | 0.0000 | |
| 98 | S | A | 0.0000 | |
| 99 | H | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | H | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | D | A | 0.0000 | |
| 104 | H | A | 0.0000 | |
| 105 | T | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | G | A | -1.0324 | |
| 110 | R | A | -1.0233 | |
| 111 | F | A | 0.0000 | |
| 112 | P | A | -1.9859 | |
| 113 | K | A | -2.7048 | |
| 114 | A | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | H | A | 0.0000 | |
| 117 | I | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | Q | A | 0.0000 | |
| 120 | R | A | -0.5919 | |
| 121 | N | A | -0.7603 | |
| 122 | E | A | 0.0000 | |
| 123 | Y | A | -0.5391 | |
| 124 | E | A | -0.9218 | |
| 125 | Y | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | T | A | -0.1922 | |
| 129 | P | A | -0.0632 | |
| 130 | D | A | 0.0000 | |
| 131 | W | A | 0.2936 | |
| 132 | F | A | 0.2640 | |
| 133 | A | A | 0.0000 | |
| 134 | A | A | 0.0567 | |
| 135 | G | A | -0.1650 | |
| 136 | G | A | -0.2141 | |
| 137 | Y | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | R | A | -2.2094 | |
| 140 | K | A | -2.6867 | |
| 141 | D | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | D | A | -2.8308 | |
| 144 | K | A | -2.0194 | |
| 145 | P | A | -1.1551 | |
| 146 | G | A | -0.9599 | |
| 147 | L | A | -0.9932 | |
| 148 | K | A | -1.0947 | |
| 149 | W | A | -0.2773 | |
| 150 | Q | A | 0.0000 | |
| 151 | F | A | 0.0156 | |
| 152 | L | A | 0.0000 | |
| 153 | S | A | -0.4234 | |
| 154 | P | A | -0.4251 | |
| 155 | E | A | -0.7929 | |
| 156 | H | A | -0.8707 | |
| 157 | E | A | -0.8828 | |
| 158 | E | A | -1.3229 | |
| 159 | G | A | -0.9822 | |
| 160 | Y | A | 0.0000 | |
| 161 | D | A | -1.1937 | |
| 162 | L | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | G | A | -1.3603 | |
| 165 | D | A | -1.5759 | |
| 166 | G | A | -1.0381 | |
| 167 | V | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | R | A | -0.8134 | |
| 170 | M | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | Y | A | -0.2269 | |
| 173 | T | A | 0.0000 | |
| 174 | P | A | -0.2824 | |
| 175 | G | A | 0.0000 | |
| 176 | H | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | P | A | -0.3164 | |
| 179 | G | A | 0.0000 | |
| 180 | H | A | 0.0000 | |
| 181 | Q | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | S | A | -0.9153 | |
| 187 | L | A | 0.0000 | |
| 188 | P | A | -0.9664 | |
| 189 | S | A | -1.0435 | |
| 190 | A | A | -1.1579 | |
| 191 | E | A | -1.9601 | |
| 192 | K | A | -1.4884 | |
| 193 | Y | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | D | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | V | A | -0.4548 | |
| 204 | D | A | -1.8022 | |
| 205 | H | A | 0.0000 | |
| 206 | W | A | -0.9780 | |
| 207 | E | A | -2.0427 | |
| 208 | E | A | -1.7810 | |
| 209 | K | A | -2.3614 | |
| 210 | A | A | -1.3215 | |
| 211 | L | A | -0.3973 | |
| 212 | P | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | F | A | 0.3607 | |
| 215 | L | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | S | A | -0.2584 | |
| 218 | T | A | 0.0000 | |
| 219 | V | A | -0.1451 | |
| 220 | D | A | -0.8523 | |
| 221 | T | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | R | A | -0.7165 | |
| 224 | S | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | Q | A | -1.1133 | |
| 227 | K | A | -0.7357 | |
| 228 | L | A | 0.0000 | |
| 229 | R | A | -1.5103 | |
| 230 | A | A | -1.4501 | |
| 231 | L | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | E | A | -2.7504 | |
| 234 | H | A | -1.8706 | |
| 235 | E | A | 0.0000 | |
| 236 | E | A | -2.7961 | |
| 237 | A | A | -1.8565 | |
| 238 | H | A | -1.1993 | |
| 239 | V | A | -0.2501 | |
| 240 | V | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | G | A | 0.0000 | |
| 243 | H | A | 0.0000 | |
| 244 | D | A | 0.0000 | |
| 245 | P | A | -1.1604 | |
| 246 | D | A | -1.7918 | |
| 247 | A | A | -0.7640 | |
| 248 | W | A | 0.0000 | |
| 249 | P | A | -0.9954 | |
| 250 | S | A | -0.8343 | |
| 251 | F | A | -0.5624 | |
| 252 | K | A | -1.2626 | |
| 253 | Q | A | -1.0375 | |
| 254 | A | A | -0.6866 | |
| 255 | P | A | -0.6261 | |
| 256 | A | A | -0.4154 | |
| 257 | Y | A | -0.4542 | |
| 258 | Y | A | -1.0391 | |
| 259 | D | A | -1.8558 | |
| 1 | I | B | -0.3152 | |
| 2 | R | B | -1.0527 | |
| 3 | L | B | 0.0000 | |
| 4 | Y | B | 0.0000 | |
| 5 | M | B | 0.0000 | |
| 6 | F | B | 0.0000 | |
| 7 | Q | B | -0.5593 | |
| 8 | S | B | 0.0000 | |
| 9 | G | B | 0.0000 | |
| 10 | T | B | -0.9468 | |
| 11 | L | B | 0.0000 | |
| 12 | K | B | -1.7802 | |
| 13 | C | B | -1.1214 | |
| 14 | K | B | -1.9013 | |
| 15 | T | B | -1.5602 | |
| 16 | N | B | 0.0000 | |
| 17 | N | B | -0.6698 | |
| 18 | I | B | 0.0000 | |
| 19 | K | B | -0.9055 | |
| 20 | M | B | -0.2722 | |
| 21 | N | B | -1.1072 | |
| 22 | A | B | -1.5601 | |
| 23 | D | B | -2.5970 | |
| 24 | P | B | -1.8210 | |
| 25 | A | B | -1.0224 | |
| 26 | P | B | -1.3307 | |
| 27 | Y | B | -1.3054 | |
| 28 | E | B | -2.0548 | |
| 29 | I | B | 0.0000 | |
| 30 | P | B | 0.0000 | |
| 31 | V | B | 0.0000 | |
| 32 | P | B | 0.0000 | |
| 33 | W | B | 0.0000 | |
| 34 | Y | B | 0.0000 | |
| 35 | L | B | 0.0000 | |
| 36 | I | B | 0.0000 | |
| 37 | T | B | -0.4626 | |
| 38 | H | B | 0.0000 | |
| 39 | P | B | -0.6488 | |
| 40 | K | B | -1.2028 | |
| 41 | G | B | -1.0181 | |
| 42 | N | B | -0.8189 | |
| 43 | V | B | 0.0000 | |
| 44 | V | B | 0.0000 | |
| 45 | I | B | 0.0000 | |
| 46 | D | B | 0.0000 | |
| 47 | G | B | 0.0000 | |
| 48 | G | B | 0.0000 | |
| 49 | N | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | V | B | -0.6213 | |
| 52 | E | B | -1.3064 | |
| 53 | C | B | 0.0000 | |
| 54 | A | B | -1.1331 | |
| 55 | T | B | -1.4199 | |
| 56 | D | B | -2.5567 | |
| 57 | P | B | -2.1192 | |
| 58 | E | B | -2.7532 | |
| 59 | G | B | -2.1746 | |
| 60 | H | B | -1.9343 | |
| 61 | W | B | 0.0000 | |
| 62 | G | B | -1.4381 | |
| 63 | G | B | -0.7747 | |
| 64 | I | B | -0.0246 | |
| 65 | T | B | 0.0000 | |
| 66 | T | B | 0.0312 | |
| 67 | V | B | 0.4877 | |
| 68 | Y | B | -0.0955 | |
| 69 | W | B | -0.4266 | |
| 70 | P | B | 0.0000 | |
| 71 | D | B | -1.2252 | |
| 72 | M | B | -0.8322 | |
| 73 | T | B | -0.9924 | |
| 74 | P | B | -1.2305 | |
| 75 | E | B | -2.3801 | |
| 76 | Q | B | -1.3552 | |
| 77 | G | B | 0.0000 | |
| 78 | V | B | 0.0000 | |
| 79 | E | B | -1.3840 | |
| 80 | A | B | -1.6919 | |
| 81 | Q | B | -1.7978 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -2.4702 | |
| 84 | K | B | -2.5700 | |
| 85 | L | B | -1.1104 | |
| 86 | G | B | -1.2720 | |
| 87 | I | B | -1.0679 | |
| 88 | A | B | -1.2368 | |
| 89 | K | B | -2.4305 | |
| 90 | D | B | -2.7783 | |
| 91 | S | B | -1.7296 | |
| 92 | V | B | 0.0000 | |
| 93 | R | B | -1.5153 | |
| 94 | Y | B | 0.0000 | |
| 95 | V | B | 0.0000 | |
| 96 | L | B | 0.0000 | |
| 97 | Q | B | 0.0000 | |
| 98 | S | B | 0.0000 | |
| 99 | H | B | 0.0000 | |
| 100 | L | B | 0.0000 | |
| 101 | H | B | 0.0000 | |
| 102 | L | B | 0.0000 | |
| 103 | D | B | 0.0000 | |
| 104 | H | B | 0.0000 | |
| 105 | T | B | 0.0000 | |
| 106 | G | B | 0.0000 | |
| 107 | A | B | 0.0000 | |
| 108 | I | B | 0.0000 | |
| 109 | G | B | -1.0067 | |
| 110 | R | B | -0.9795 | |
| 111 | F | B | 0.0000 | |
| 112 | P | B | -1.9600 | |
| 113 | K | B | -2.6846 | |
| 114 | A | B | 0.0000 | |
| 115 | T | B | 0.0000 | |
| 116 | H | B | 0.0000 | |
| 117 | I | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | Q | B | 0.0000 | |
| 120 | R | B | -0.5301 | |
| 121 | N | B | -0.6884 | |
| 122 | E | B | 0.0000 | |
| 123 | Y | B | -0.5034 | |
| 124 | E | B | -0.8867 | |
| 125 | Y | B | 0.0000 | |
| 126 | A | B | 0.0000 | |
| 127 | F | B | 0.0000 | |
| 128 | T | B | -0.2335 | |
| 129 | P | B | -0.0704 | |
| 130 | D | B | 0.0000 | |
| 131 | W | B | 0.3020 | |
| 132 | F | B | 0.2622 | |
| 133 | A | B | 0.0000 | |
| 134 | A | B | 0.0627 | |
| 135 | G | B | -0.1661 | |
| 136 | G | B | -0.2140 | |
| 137 | Y | B | 0.0000 | |
| 138 | I | B | 0.0000 | |
| 139 | R | B | -2.0817 | |
| 140 | K | B | -2.5981 | |
| 141 | D | B | 0.0000 | |
| 142 | F | B | 0.0000 | |
| 143 | D | B | -2.6241 | |
| 144 | K | B | -1.9271 | |
| 145 | P | B | -1.1150 | |
| 146 | G | B | -0.9401 | |
| 147 | L | B | -0.9681 | |
| 148 | K | B | -1.1001 | |
| 149 | W | B | -0.3987 | |
| 150 | Q | B | -0.4805 | |
| 151 | F | B | -0.1719 | |
| 152 | L | B | 0.0000 | |
| 153 | S | B | -0.3964 | |
| 154 | P | B | -0.3792 | |
| 155 | E | B | -0.5936 | |
| 156 | H | B | -0.7090 | |
| 157 | E | B | -0.6519 | |
| 158 | E | B | -0.8616 | |
| 159 | G | B | 0.0000 | |
| 160 | Y | B | -0.5518 | |
| 161 | D | B | -0.9318 | |
| 162 | L | B | 0.0000 | |
| 163 | Y | B | 0.0000 | |
| 164 | G | B | -1.3923 | |
| 165 | D | B | -1.8524 | |
| 166 | G | B | -1.1644 | |
| 167 | V | B | 0.0000 | |
| 168 | I | B | 0.0000 | |
| 169 | R | B | -0.6893 | |
| 170 | M | B | 0.0000 | |
| 171 | F | B | 0.0000 | |
| 172 | Y | B | -0.1324 | |
| 173 | T | B | 0.0000 | |
| 174 | P | B | -0.3055 | |
| 175 | G | B | 0.0000 | |
| 176 | H | B | 0.0000 | |
| 177 | A | B | 0.0000 | |
| 178 | P | B | -0.3115 | |
| 179 | G | B | 0.0000 | |
| 180 | H | B | 0.0000 | |
| 181 | Q | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | F | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | S | B | -1.0129 | |
| 187 | L | B | 0.0000 | |
| 188 | P | B | -0.9702 | |
| 189 | S | B | -1.0277 | |
| 190 | A | B | -1.1570 | |
| 191 | E | B | -1.9246 | |
| 192 | K | B | -1.5892 | |
| 193 | Y | B | 0.0000 | |
| 194 | L | B | 0.0000 | |
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| 171 | F | C | 0.0000 | |
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| 100 | L | D | 0.0000 | |
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| 118 | V | D | 0.0000 | |
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| 120 | R | D | -0.5907 | |
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| 125 | Y | D | 0.0000 | |
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| 137 | Y | D | 0.0000 | |
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| 170 | M | D | 0.0000 | |
| 171 | F | D | 0.0000 | |
| 172 | Y | D | -0.1482 | |
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| 217 | S | D | -0.2664 | |
| 218 | T | D | 0.0000 | |
| 219 | V | D | -0.1548 | |
| 220 | D | D | -0.8584 | |
| 221 | T | D | 0.0000 | |
| 222 | V | D | 0.0000 | |
| 223 | R | D | -0.7285 | |
| 224 | S | D | 0.0000 | |
| 225 | V | D | 0.0000 | |
| 226 | Q | D | -1.0619 | |
| 227 | K | D | -0.6878 | |
| 228 | L | D | 0.0000 | |
| 229 | R | D | -1.2501 | |
| 230 | A | D | -0.9995 | |
| 231 | L | D | -0.9035 | |
| 232 | A | D | 0.0000 | |
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| 236 | E | D | -2.4970 | |
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| 238 | H | D | -1.1428 | |
| 239 | V | D | -0.1806 | |
| 240 | V | D | 0.0000 | |
| 241 | T | D | 0.0000 | |
| 242 | G | D | 0.0000 | |
| 243 | H | D | 0.0000 | |
| 244 | D | D | 0.0000 | |
| 245 | P | D | -1.0952 | |
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| 247 | A | D | -0.7591 | |
| 248 | W | D | 0.0000 | |
| 249 | P | D | -1.0279 | |
| 250 | S | D | -0.8760 | |
| 251 | F | D | -0.6508 | |
| 252 | K | D | -1.4559 | |
| 253 | Q | D | -1.1269 | |
| 254 | A | D | -0.7293 | |
| 255 | P | D | -0.6561 | |
| 256 | A | D | -0.4791 | |
| 257 | Y | D | -0.5835 | |
| 258 | Y | D | -1.1830 | |
| 259 | D | D | -2.0832 | |
| 1 | I | E | -0.3039 | |
| 2 | R | E | -1.0276 | |
| 3 | L | E | 0.0000 | |
| 4 | Y | E | 0.0000 | |
| 5 | M | E | 0.0000 | |
| 6 | F | E | 0.0000 | |
| 7 | Q | E | -0.5456 | |
| 8 | S | E | 0.0000 | |
| 9 | G | E | 0.0000 | |
| 10 | T | E | -0.9808 | |
| 11 | L | E | 0.0000 | |
| 12 | K | E | -1.7135 | |
| 13 | C | E | -1.0006 | |
| 14 | K | E | -1.8070 | |
| 15 | T | E | -1.4962 | |
| 16 | N | E | 0.0000 | |
| 17 | N | E | -0.6654 | |
| 18 | I | E | 0.0000 | |
| 19 | K | E | -0.9237 | |
| 20 | M | E | -0.2859 | |
| 21 | N | E | -1.0913 | |
| 22 | A | E | -1.5601 | |
| 23 | D | E | -2.5904 | |
| 24 | P | E | -1.8027 | |
| 25 | A | E | -1.0038 | |
| 26 | P | E | -1.2479 | |
| 27 | Y | E | -1.1327 | |
| 28 | E | E | -1.7529 | |
| 29 | I | E | 0.0000 | |
| 30 | P | E | 0.0000 | |
| 31 | V | E | 0.0000 | |
| 32 | P | E | 0.0000 | |
| 33 | W | E | 0.0000 | |
| 34 | Y | E | 0.0000 | |
| 35 | L | E | 0.0000 | |
| 36 | I | E | 0.0000 | |
| 37 | T | E | -0.4573 | |
| 38 | H | E | 0.0000 | |
| 39 | P | E | -0.6547 | |
| 40 | K | E | -1.2213 | |
| 41 | G | E | -1.0341 | |
| 42 | N | E | -0.8478 | |
| 43 | V | E | 0.0000 | |
| 44 | V | E | 0.0000 | |
| 45 | I | E | 0.0000 | |
| 46 | D | E | 0.0000 | |
| 47 | G | E | 0.0000 | |
| 48 | G | E | 0.0000 | |
| 49 | N | E | 0.0000 | |
| 50 | A | E | 0.0000 | |
| 51 | V | E | -0.7244 | |
| 52 | E | E | -1.3725 | |
| 53 | C | E | 0.0000 | |
| 54 | A | E | -1.2438 | |
| 55 | T | E | -1.4773 | |
| 56 | D | E | -2.5598 | |
| 57 | P | E | -2.1611 | |
| 58 | E | E | -2.7326 | |
| 59 | G | E | -2.1704 | |
| 60 | H | E | -1.9455 | |
| 61 | W | E | 0.0000 | |
| 62 | G | E | -1.4156 | |
| 63 | G | E | -0.7524 | |
| 64 | I | E | 0.0037 | |
| 65 | T | E | 0.0000 | |
| 66 | T | E | 0.0564 | |
| 67 | V | E | 0.5165 | |
| 68 | Y | E | -0.0457 | |
| 69 | W | E | -0.3943 | |
| 70 | P | E | 0.0000 | |
| 71 | D | E | -1.5423 | |
| 72 | M | E | -1.0201 | |
| 73 | T | E | -1.0817 | |
| 74 | P | E | -1.2523 | |
| 75 | E | E | -2.3694 | |
| 76 | Q | E | -1.3836 | |
| 77 | G | E | 0.0000 | |
| 78 | V | E | 0.0000 | |
| 79 | E | E | -1.5080 | |
| 80 | A | E | -1.7340 | |
| 81 | Q | E | -1.8134 | |
| 82 | L | E | 0.0000 | |
| 83 | Q | E | -2.5268 | |
| 84 | K | E | -2.5900 | |
| 85 | L | E | -1.1473 | |
| 86 | G | E | -1.3127 | |
| 87 | I | E | -1.1480 | |
| 88 | A | E | -1.3651 | |
| 89 | K | E | -2.6717 | |
| 90 | D | E | -2.9343 | |
| 91 | S | E | -1.8236 | |
| 92 | V | E | 0.0000 | |
| 93 | R | E | -1.5502 | |
| 94 | Y | E | 0.0000 | |
| 95 | V | E | 0.0000 | |
| 96 | L | E | 0.0000 | |
| 97 | Q | E | 0.0000 | |
| 98 | S | E | 0.0000 | |
| 99 | H | E | 0.0000 | |
| 100 | L | E | 0.0000 | |
| 101 | H | E | 0.0000 | |
| 102 | L | E | 0.0000 | |
| 103 | D | E | 0.0000 | |
| 104 | H | E | 0.0000 | |
| 105 | T | E | 0.0000 | |
| 106 | G | E | 0.0000 | |
| 107 | A | E | 0.0000 | |
| 108 | I | E | 0.0000 | |
| 109 | G | E | -1.0194 | |
| 110 | R | E | -1.0415 | |
| 111 | F | E | 0.0000 | |
| 112 | P | E | -2.0183 | |
| 113 | K | E | -2.7323 | |
| 114 | A | E | 0.0000 | |
| 115 | T | E | 0.0000 | |
| 116 | H | E | 0.0000 | |
| 117 | I | E | 0.0000 | |
| 118 | V | E | 0.0000 | |
| 119 | Q | E | 0.0000 | |
| 120 | R | E | -0.6014 | |
| 121 | N | E | -0.7366 | |
| 122 | E | E | 0.0000 | |
| 123 | Y | E | -0.5374 | |
| 124 | E | E | -0.9282 | |
| 125 | Y | E | 0.0000 | |
| 126 | A | E | 0.0000 | |
| 127 | F | E | 0.0000 | |
| 128 | T | E | -0.2720 | |
| 129 | P | E | -0.1705 | |
| 130 | D | E | -0.0467 | |
| 131 | W | E | 0.4049 | |
| 132 | F | E | 0.2221 | |
| 133 | A | E | 0.0000 | |
| 134 | A | E | 0.0192 | |
| 135 | G | E | -0.1707 | |
| 136 | G | E | -0.2021 | |
| 137 | Y | E | 0.0000 | |
| 138 | I | E | 0.0000 | |
| 139 | R | E | -2.1093 | |
| 140 | K | E | -2.6314 | |
| 141 | D | E | 0.0000 | |
| 142 | F | E | 0.0000 | |
| 143 | D | E | -2.7604 | |
| 144 | K | E | -1.9740 | |
| 145 | P | E | -1.1360 | |
| 146 | G | E | -0.9478 | |
| 147 | L | E | -0.9886 | |
| 148 | K | E | -1.0928 | |
| 149 | W | E | -0.3348 | |
| 150 | Q | E | -0.3232 | |
| 151 | F | E | -0.0476 | |
| 152 | L | E | 0.0000 | |
| 153 | S | E | -0.3966 | |
| 154 | P | E | -0.4082 | |
| 155 | E | E | -0.7479 | |
| 156 | H | E | -0.9407 | |
| 157 | E | E | -0.9551 | |
| 158 | E | E | -1.5061 | |
| 159 | G | E | -0.9589 | |
| 160 | Y | E | 0.0000 | |
| 161 | D | E | -1.1664 | |
| 162 | L | E | 0.0000 | |
| 163 | Y | E | 0.0000 | |
| 164 | G | E | -1.4553 | |
| 165 | D | E | -1.9006 | |
| 166 | G | E | -1.1953 | |
| 167 | V | E | 0.0000 | |
| 168 | I | E | 0.0000 | |
| 169 | R | E | -0.8277 | |
| 170 | M | E | 0.0000 | |
| 171 | F | E | 0.0000 | |
| 172 | Y | E | -0.2289 | |
| 173 | T | E | 0.0000 | |
| 174 | P | E | -0.2805 | |
| 175 | G | E | 0.0000 | |
| 176 | H | E | 0.0000 | |
| 177 | A | E | 0.0000 | |
| 178 | P | E | -0.3161 | |
| 179 | G | E | 0.0000 | |
| 180 | H | E | 0.0000 | |
| 181 | Q | E | 0.0000 | |
| 182 | S | E | 0.0000 | |
| 183 | F | E | 0.0000 | |
| 184 | L | E | 0.0000 | |
| 185 | V | E | 0.0000 | |
| 186 | S | E | -1.0237 | |
| 187 | L | E | 0.0000 | |
| 188 | P | E | -1.0044 | |
| 189 | S | E | -1.0858 | |
| 190 | A | E | -1.2204 | |
| 191 | E | E | -2.0600 | |
| 192 | K | E | -1.6498 | |
| 193 | Y | E | 0.0000 | |
| 194 | L | E | 0.0000 | |
| 195 | L | E | 0.0000 | |
| 196 | A | E | 0.0000 | |
| 197 | V | E | 0.0000 | |
| 198 | D | E | 0.0000 | |
| 199 | A | E | 0.0000 | |
| 200 | A | E | 0.0000 | |
| 201 | Y | E | 0.0000 | |
| 202 | T | E | 0.0000 | |
| 203 | V | E | -0.5155 | |
| 204 | D | E | -1.8793 | |
| 205 | H | E | 0.0000 | |
| 206 | W | E | 0.0000 | |
| 207 | E | E | -2.2748 | |
| 208 | E | E | -1.8682 | |
| 209 | K | E | -2.4660 | |
| 210 | A | E | -1.3384 | |
| 211 | L | E | -0.3865 | |
| 212 | P | E | 0.0000 | |
| 213 | G | E | 0.0000 | |
| 214 | F | E | 0.3518 | |
| 215 | L | E | 0.0000 | |
| 216 | A | E | 0.0000 | |
| 217 | S | E | -0.2593 | |
| 218 | T | E | 0.0000 | |
| 219 | V | E | -0.1521 | |
| 220 | D | E | -0.8554 | |
| 221 | T | E | 0.0000 | |
| 222 | V | E | 0.0000 | |
| 223 | R | E | -0.7267 | |
| 224 | S | E | 0.0000 | |
| 225 | V | E | 0.0000 | |
| 226 | Q | E | -1.1511 | |
| 227 | K | E | -0.7039 | |
| 228 | L | E | 0.0000 | |
| 229 | R | E | -1.3089 | |
| 230 | A | E | 0.0000 | |
| 231 | L | E | 0.0000 | |
| 232 | A | E | 0.0000 | |
| 233 | E | E | -1.6189 | |
| 234 | H | E | -1.3696 | |
| 235 | E | E | -1.7276 | |
| 236 | E | E | -2.4690 | |
| 237 | A | E | -1.7091 | |
| 238 | H | E | -1.1184 | |
| 239 | V | E | -0.1699 | |
| 240 | V | E | 0.0000 | |
| 241 | T | E | 0.0000 | |
| 242 | G | E | 0.0000 | |
| 243 | H | E | 0.0000 | |
| 244 | D | E | 0.0000 | |
| 245 | P | E | -1.0957 | |
| 246 | D | E | -1.7929 | |
| 247 | A | E | -0.7598 | |
| 248 | W | E | 0.0000 | |
| 249 | P | E | -0.9956 | |
| 250 | S | E | -0.8322 | |
| 251 | F | E | -0.5556 | |
| 252 | K | E | -1.2567 | |
| 253 | Q | E | -1.0307 | |
| 254 | A | E | -0.6875 | |
| 255 | P | E | -0.6353 | |
| 256 | A | E | -0.4158 | |
| 257 | Y | E | -0.4897 | |
| 258 | Y | E | -1.1112 | |
| 259 | D | E | -1.9755 | |
| 1 | I | F | -0.3154 | |
| 2 | R | F | -1.0125 | |
| 3 | L | F | 0.0000 | |
| 4 | Y | F | 0.0000 | |
| 5 | M | F | 0.0000 | |
| 6 | F | F | 0.0000 | |
| 7 | Q | F | -0.5963 | |
| 8 | S | F | 0.0000 | |
| 9 | G | F | 0.0000 | |
| 10 | T | F | -0.9652 | |
| 11 | L | F | 0.0000 | |
| 12 | K | F | -1.6850 | |
| 13 | C | F | -1.0156 | |
| 14 | K | F | -1.8367 | |
| 15 | T | F | -1.4996 | |
| 16 | N | F | 0.0000 | |
| 17 | N | F | -0.6433 | |
| 18 | I | F | 0.0000 | |
| 19 | K | F | -0.7299 | |
| 20 | M | F | -0.2705 | |
| 21 | N | F | -1.0785 | |
| 22 | A | F | -1.5434 | |
| 23 | D | F | -2.5758 | |
| 24 | P | F | -1.8014 | |
| 25 | A | F | -1.0239 | |
| 26 | P | F | -1.2934 | |
| 27 | Y | F | -1.2269 | |
| 28 | E | F | -1.8171 | |
| 29 | I | F | 0.0000 | |
| 30 | P | F | 0.0000 | |
| 31 | V | F | 0.0000 | |
| 32 | P | F | 0.0000 | |
| 33 | W | F | 0.0000 | |
| 34 | Y | F | 0.0000 | |
| 35 | L | F | 0.0000 | |
| 36 | I | F | 0.0000 | |
| 37 | T | F | -0.4765 | |
| 38 | H | F | 0.0000 | |
| 39 | P | F | -0.7351 | |
| 40 | K | F | -1.3860 | |
| 41 | G | F | -1.1114 | |
| 42 | N | F | -0.8732 | |
| 43 | V | F | 0.0000 | |
| 44 | V | F | 0.0000 | |
| 45 | I | F | 0.0000 | |
| 46 | D | F | 0.0000 | |
| 47 | G | F | 0.0000 | |
| 48 | G | F | 0.0000 | |
| 49 | N | F | 0.0000 | |
| 50 | A | F | 0.0000 | |
| 51 | V | F | -0.7066 | |
| 52 | E | F | -1.3160 | |
| 53 | C | F | 0.0000 | |
| 54 | A | F | -1.1354 | |
| 55 | T | F | -1.2669 | |
| 56 | D | F | -2.1090 | |
| 57 | P | F | -1.9172 | |
| 58 | E | F | -2.5755 | |
| 59 | G | F | -2.0052 | |
| 60 | H | F | -1.8590 | |
| 61 | W | F | 0.0000 | |
| 62 | G | F | -1.3685 | |
| 63 | G | F | -0.7438 | |
| 64 | I | F | 0.0205 | |
| 65 | T | F | 0.0000 | |
| 66 | T | F | 0.0812 | |
| 67 | V | F | 0.5435 | |
| 68 | Y | F | 0.0124 | |
| 69 | W | F | -0.2801 | |
| 70 | P | F | 0.0000 | |
| 71 | D | F | -1.4388 | |
| 72 | M | F | 0.0000 | |
| 73 | T | F | -1.0826 | |
| 74 | P | F | -1.2521 | |
| 75 | E | F | -2.3323 | |
| 76 | Q | F | -1.3657 | |
| 77 | G | F | 0.0000 | |
| 78 | V | F | 0.0000 | |
| 79 | E | F | -1.4973 | |
| 80 | A | F | -1.7222 | |
| 81 | Q | F | -1.8213 | |
| 82 | L | F | 0.0000 | |
| 83 | Q | F | -2.5194 | |
| 84 | K | F | -2.5904 | |
| 85 | L | F | -1.1452 | |
| 86 | G | F | -1.3058 | |
| 87 | I | F | -1.1256 | |
| 88 | A | F | -1.3170 | |
| 89 | K | F | -2.5846 | |
| 90 | D | F | -2.8463 | |
| 91 | S | F | -1.7990 | |
| 92 | V | F | 0.0000 | |
| 93 | R | F | -1.5739 | |
| 94 | Y | F | 0.0000 | |
| 95 | V | F | 0.0000 | |
| 96 | L | F | 0.0000 | |
| 97 | Q | F | 0.0000 | |
| 98 | S | F | 0.0000 | |
| 99 | H | F | 0.0000 | |
| 100 | L | F | 0.0000 | |
| 101 | H | F | 0.0000 | |
| 102 | L | F | 0.0000 | |
| 103 | D | F | 0.0000 | |
| 104 | H | F | 0.0000 | |
| 105 | T | F | 0.0000 | |
| 106 | G | F | 0.0000 | |
| 107 | A | F | 0.0000 | |
| 108 | I | F | 0.0000 | |
| 109 | G | F | -1.0126 | |
| 110 | R | F | -1.0300 | |
| 111 | F | F | 0.0000 | |
| 112 | P | F | -1.9965 | |
| 113 | K | F | -2.7116 | |
| 114 | A | F | 0.0000 | |
| 115 | T | F | 0.0000 | |
| 116 | H | F | 0.0000 | |
| 117 | I | F | 0.0000 | |
| 118 | V | F | 0.0000 | |
| 119 | Q | F | 0.0000 | |
| 120 | R | F | -0.6005 | |
| 121 | N | F | -0.7365 | |
| 122 | E | F | 0.0000 | |
| 123 | Y | F | -0.4708 | |
| 124 | E | F | -0.8617 | |
| 125 | Y | F | 0.0000 | |
| 126 | A | F | 0.0000 | |
| 127 | F | F | -0.5054 | |
| 128 | T | F | -0.1396 | |
| 129 | P | F | -0.0206 | |
| 130 | D | F | 0.0000 | |
| 131 | W | F | 0.4887 | |
| 132 | F | F | 0.2719 | |
| 133 | A | F | 0.0000 | |
| 134 | A | F | 0.0525 | |
| 135 | G | F | -0.2020 | |
| 136 | G | F | -0.2537 | |
| 137 | Y | F | 0.0000 | |
| 138 | I | F | 0.0000 | |
| 139 | R | F | -2.4296 | |
| 140 | K | F | -2.7827 | |
| 141 | D | F | 0.0000 | |
| 142 | F | F | 0.0000 | |
| 143 | D | F | -2.7202 | |
| 144 | K | F | -1.9733 | |
| 145 | P | F | -1.1124 | |
| 146 | G | F | -0.9410 | |
| 147 | L | F | -0.9739 | |
| 148 | K | F | -1.1172 | |
| 149 | W | F | -0.3386 | |
| 150 | Q | F | -0.3468 | |
| 151 | F | F | -0.0421 | |
| 152 | L | F | 0.0000 | |
| 153 | S | F | -0.4168 | |
| 154 | P | F | -0.4216 | |
| 155 | E | F | -0.6795 | |
| 156 | H | F | -0.7183 | |
| 157 | E | F | 0.0000 | |
| 158 | E | F | -1.1016 | |
| 159 | G | F | -0.7659 | |
| 160 | Y | F | 0.0000 | |
| 161 | D | F | -1.1529 | |
| 162 | L | F | 0.0000 | |
| 163 | Y | F | 0.0000 | |
| 164 | G | F | -1.4593 | |
| 165 | D | F | -1.9120 | |
| 166 | G | F | -1.2011 | |
| 167 | V | F | 0.0000 | |
| 168 | I | F | 0.0000 | |
| 169 | R | F | -0.8115 | |
| 170 | M | F | 0.0000 | |
| 171 | F | F | 0.0000 | |
| 172 | Y | F | -0.1642 | |
| 173 | T | F | 0.0000 | |
| 174 | P | F | -0.2935 | |
| 175 | G | F | 0.0000 | |
| 176 | H | F | 0.0000 | |
| 177 | A | F | 0.0000 | |
| 178 | P | F | -0.3176 | |
| 179 | G | F | 0.0000 | |
| 180 | H | F | 0.0000 | |
| 181 | Q | F | 0.0000 | |
| 182 | S | F | 0.0000 | |
| 183 | F | F | 0.0000 | |
| 184 | L | F | 0.0000 | |
| 185 | V | F | 0.0000 | |
| 186 | S | F | -1.0045 | |
| 187 | L | F | 0.0000 | |
| 188 | P | F | -0.9950 | |
| 189 | S | F | -1.0784 | |
| 190 | A | F | -1.2100 | |
| 191 | E | F | -2.0405 | |
| 192 | K | F | -1.6036 | |
| 193 | Y | F | 0.0000 | |
| 194 | L | F | 0.0000 | |
| 195 | L | F | 0.0000 | |
| 196 | A | F | 0.0000 | |
| 197 | V | F | 0.0000 | |
| 198 | D | F | 0.0000 | |
| 199 | A | F | 0.0000 | |
| 200 | A | F | 0.0000 | |
| 201 | Y | F | 0.0000 | |
| 202 | T | F | 0.0000 | |
| 203 | V | F | -0.0515 | |
| 204 | D | F | -1.1011 | |
| 205 | H | F | 0.0000 | |
| 206 | W | F | 0.0000 | |
| 207 | E | F | -1.7435 | |
| 208 | E | F | -1.5430 | |
| 209 | K | F | -2.1333 | |
| 210 | A | F | -1.0559 | |
| 211 | L | F | -0.2528 | |
| 212 | P | F | 0.0000 | |
| 213 | G | F | 0.0000 | |
| 214 | F | F | 0.3934 | |
| 215 | L | F | 0.0000 | |
| 216 | A | F | 0.0000 | |
| 217 | S | F | -0.2639 | |
| 218 | T | F | 0.0000 | |
| 219 | V | F | -0.2351 | |
| 220 | D | F | -0.9580 | |
| 221 | T | F | 0.0000 | |
| 222 | V | F | 0.0000 | |
| 223 | R | F | -0.9225 | |
| 224 | S | F | 0.0000 | |
| 225 | V | F | 0.0000 | |
| 226 | Q | F | -1.3947 | |
| 227 | K | F | -0.8382 | |
| 228 | L | F | 0.0000 | |
| 229 | R | F | -1.3014 | |
| 230 | A | F | -1.0579 | |
| 231 | L | F | -0.9181 | |
| 232 | A | F | 0.0000 | |
| 233 | E | F | -1.5497 | |
| 234 | H | F | -1.2438 | |
| 235 | E | F | -1.6304 | |
| 236 | E | F | -2.4308 | |
| 237 | A | F | -1.6582 | |
| 238 | H | F | -1.1110 | |
| 239 | V | F | -0.1496 | |
| 240 | V | F | 0.0000 | |
| 241 | T | F | 0.0000 | |
| 242 | G | F | 0.0000 | |
| 243 | H | F | 0.0000 | |
| 244 | D | F | 0.0000 | |
| 245 | P | F | -1.1060 | |
| 246 | D | F | -1.7801 | |
| 247 | A | F | -0.7421 | |
| 248 | W | F | 0.0000 | |
| 249 | P | F | -0.9868 | |
| 250 | S | F | -0.8228 | |
| 251 | F | F | -0.5386 | |
| 252 | K | F | -1.2171 | |
| 253 | Q | F | -1.0169 | |
| 254 | A | F | -0.6863 | |
| 255 | P | F | -0.6313 | |
| 256 | A | F | -0.4069 | |
| 257 | Y | F | -0.4769 | |
| 258 | Y | F | -1.0844 | |
| 259 | D | F | -1.9515 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2795 | 1.8121 | View | CSV | PDB |
| 4.5 | -0.3391 | 1.7895 | View | CSV | PDB |
| 5.0 | -0.4108 | 1.7802 | View | CSV | PDB |
| 5.5 | -0.483 | 1.7681 | View | CSV | PDB |
| 6.0 | -0.5428 | 1.7551 | View | CSV | PDB |
| 6.5 | -0.5795 | 1.7433 | View | CSV | PDB |
| 7.0 | -0.5918 | 1.7347 | View | CSV | PDB |
| 7.5 | -0.588 | 1.73 | View | CSV | PDB |
| 8.0 | -0.5752 | 1.7281 | View | CSV | PDB |
| 8.5 | -0.5549 | 1.7901 | View | CSV | PDB |
| 9.0 | -0.5252 | 1.915 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine