| Chain sequence(s) |
A: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV
C: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV B: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV E: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV D: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV G: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV F: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV I: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV H: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV K: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV J: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV L: VNTEELVKKLVRAAAAEFTTYYYYTILRVNAIGFEGEGLKEIIEDARLEDRNHFEALVPRIYELGGELPRDIRDFANDAACPDAYLPQNPRDVKEMLKVLVEAERCAIRVYTDICNMTFGKDHRTYELSLAILNEEIEHEAWFSEFLGEGPSGHIRRGSPGESPYTSRFLV input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,I,H,K,J,L |
| 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. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:15:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/be393d9213d9342/tmp/folded.pdb (01:15:31)
[INFO] Main: Simulation completed successfully. (01:38:54)
|
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 |
|---|---|---|---|---|
| 14 | V | A | 0.5433 | |
| 15 | N | A | -0.9749 | |
| 16 | T | A | -1.5913 | |
| 17 | E | A | -3.1695 | |
| 18 | E | A | -3.2939 | |
| 19 | L | A | 0.0000 | |
| 20 | V | A | -2.4771 | |
| 21 | K | A | -3.2819 | |
| 22 | K | A | -2.5161 | |
| 23 | L | A | 0.0000 | |
| 24 | V | A | -1.4389 | |
| 25 | R | A | -2.0220 | |
| 26 | A | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | A | A | 0.0000 | |
| 29 | A | A | -0.7085 | |
| 30 | E | A | 0.0000 | |
| 31 | F | A | 0.0000 | |
| 32 | T | A | 0.0000 | |
| 33 | T | A | -0.3239 | |
| 34 | Y | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Y | A | 0.0000 | |
| 38 | T | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | R | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | N | A | -0.8077 | |
| 44 | A | A | 0.0000 | |
| 45 | I | A | -0.9737 | |
| 46 | G | A | -0.8633 | |
| 47 | F | A | -0.8881 | |
| 48 | E | A | -1.9935 | |
| 49 | G | A | 0.0000 | |
| 50 | E | A | 0.0000 | |
| 51 | G | A | -0.8811 | |
| 52 | L | A | 0.0000 | |
| 53 | K | A | 0.0000 | |
| 54 | E | A | -0.9789 | |
| 55 | I | A | 0.0000 | |
| 56 | I | A | 0.0000 | |
| 57 | E | A | -0.3743 | |
| 58 | D | A | 0.0000 | |
| 59 | A | A | 0.0000 | |
| 60 | R | A | 0.0000 | |
| 61 | L | A | -0.2656 | |
| 62 | E | A | 0.0000 | |
| 63 | D | A | 0.0000 | |
| 64 | R | A | -0.3417 | |
| 65 | N | A | -0.5644 | |
| 66 | H | A | 0.0000 | |
| 67 | F | A | -0.2068 | |
| 68 | E | A | -0.2865 | |
| 69 | A | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | V | A | -0.2719 | |
| 72 | P | A | -0.3493 | |
| 73 | R | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | Y | A | 0.0000 | |
| 76 | E | A | -0.6625 | |
| 77 | L | A | -0.5205 | |
| 78 | G | A | -1.1290 | |
| 79 | G | A | -1.5596 | |
| 80 | E | A | -2.0473 | |
| 81 | L | A | -1.3522 | |
| 82 | P | A | -1.9797 | |
| 83 | R | A | -2.4793 | |
| 84 | D | A | -2.0411 | |
| 85 | I | A | 0.0000 | |
| 86 | R | A | -3.0586 | |
| 87 | D | A | -3.3661 | |
| 88 | F | A | 0.0000 | |
| 89 | A | A | -2.2522 | |
| 90 | N | A | -2.8104 | |
| 91 | D | A | -2.6085 | |
| 92 | A | A | -1.6231 | |
| 93 | A | A | -0.8924 | |
| 94 | C | A | -0.8279 | |
| 95 | P | A | -1.1758 | |
| 96 | D | A | -1.4235 | |
| 97 | A | A | -0.7120 | |
| 98 | Y | A | -0.4816 | |
| 99 | L | A | -0.8039 | |
| 100 | P | A | -1.3932 | |
| 101 | Q | A | -2.0977 | |
| 102 | N | A | -2.7193 | |
| 103 | P | A | -2.3228 | |
| 104 | R | A | -3.2186 | |
| 105 | D | A | -2.8230 | |
| 106 | V | A | -2.0159 | |
| 107 | K | A | -2.1056 | |
| 108 | E | A | -2.5300 | |
| 109 | M | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | K | A | -1.9165 | |
| 112 | V | A | -1.2222 | |
| 113 | L | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | E | A | -2.3388 | |
| 116 | A | A | -1.4529 | |
| 117 | E | A | 0.0000 | |
| 118 | R | A | -1.8192 | |
| 119 | C | A | -1.2403 | |
| 120 | A | A | -0.8212 | |
| 121 | I | A | -1.1161 | |
| 122 | R | A | -2.2614 | |
| 123 | V | A | -1.4336 | |
| 124 | Y | A | 0.0000 | |
| 125 | T | A | -1.6971 | |
| 126 | D | A | -2.6186 | |
| 127 | I | A | 0.0000 | |
| 128 | C | A | 0.0000 | |
| 129 | N | A | -1.8880 | |
| 130 | M | A | -0.7827 | |
| 131 | T | A | 0.0000 | |
| 132 | F | A | -0.5743 | |
| 133 | G | A | -1.1451 | |
| 134 | K | A | -1.5691 | |
| 135 | D | A | -0.7518 | |
| 136 | H | A | -0.7547 | |
| 137 | R | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | Y | A | -0.2225 | |
| 140 | E | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | S | A | 0.0000 | |
| 143 | L | A | 0.1654 | |
| 144 | A | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | E | A | 0.0000 | |
| 149 | E | A | 0.0000 | |
| 150 | I | A | 0.0519 | |
| 151 | E | A | 0.0000 | |
| 152 | H | A | 0.0000 | |
| 153 | E | A | -0.8649 | |
| 154 | A | A | -0.4200 | |
| 155 | W | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | S | A | -0.7102 | |
| 158 | E | A | 0.0000 | |
| 159 | F | A | 0.0000 | |
| 160 | L | A | -0.6376 | |
| 161 | G | A | -0.9134 | |
| 162 | E | A | -1.9085 | |
| 163 | G | A | -1.3252 | |
| 164 | P | A | -1.1051 | |
| 165 | S | A | 0.0000 | |
| 166 | G | A | -0.4250 | |
| 167 | H | A | -0.0403 | |
| 168 | I | A | -0.0996 | |
| 169 | R | A | -0.7223 | |
| 170 | R | A | -1.0322 | |
| 171 | G | A | -0.9455 | |
| 172 | S | A | -1.3584 | |
| 173 | P | A | -1.1917 | |
| 174 | G | A | -1.1958 | |
| 175 | E | A | -2.1171 | |
| 176 | S | A | 0.0000 | |
| 177 | P | A | -0.5069 | |
| 178 | Y | A | 0.0000 | |
| 179 | T | A | 0.0000 | |
| 180 | S | A | -0.2506 | |
| 181 | R | A | 0.0237 | |
| 182 | F | A | 0.4387 | |
| 183 | L | A | 1.0055 | |
| 184 | V | A | 1.6017 | |
| 14 | V | B | 0.5112 | |
| 15 | N | B | -1.0446 | |
| 16 | T | B | -1.6268 | |
| 17 | E | B | -3.1940 | |
| 18 | E | B | -3.3191 | |
| 19 | L | B | 0.0000 | |
| 20 | V | B | -2.5436 | |
| 21 | K | B | -3.3531 | |
| 22 | K | B | -2.5785 | |
| 23 | L | B | 0.0000 | |
| 24 | V | B | 0.0000 | |
| 25 | R | B | -2.1440 | |
| 26 | A | B | 0.0000 | |
| 27 | A | B | 0.0000 | |
| 28 | A | B | 0.0000 | |
| 29 | A | B | -0.6368 | |
| 30 | E | B | 0.0000 | |
| 31 | F | B | 0.0804 | |
| 32 | T | B | -0.2279 | |
| 33 | T | B | -0.1773 | |
| 34 | Y | B | 0.0000 | |
| 35 | Y | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Y | B | 0.0000 | |
| 38 | T | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | L | B | 0.0000 | |
| 41 | R | B | 0.0000 | |
| 42 | V | B | 0.0000 | |
| 43 | N | B | -0.8601 | |
| 44 | A | B | 0.0000 | |
| 45 | I | B | -1.0541 | |
| 46 | G | B | -0.9348 | |
| 47 | F | B | -0.7422 | |
| 48 | E | B | -1.8746 | |
| 49 | G | B | 0.0000 | |
| 50 | E | B | 0.0000 | |
| 51 | G | B | -0.8345 | |
| 52 | L | B | 0.0000 | |
| 53 | K | B | 0.0000 | |
| 54 | E | B | -0.8818 | |
| 55 | I | B | 0.0000 | |
| 56 | I | B | 0.0000 | |
| 57 | E | B | 0.0000 | |
| 58 | D | B | -0.7592 | |
| 59 | A | B | 0.0000 | |
| 60 | R | B | 0.0000 | |
| 61 | L | B | -0.2355 | |
| 62 | E | B | 0.0000 | |
| 63 | D | B | 0.0000 | |
| 64 | R | B | -0.3319 | |
| 65 | N | B | -0.5370 | |
| 66 | H | B | 0.0000 | |
| 67 | F | B | 0.0000 | |
| 68 | E | B | -0.2721 | |
| 69 | A | B | 0.0000 | |
| 70 | L | B | 0.0000 | |
| 71 | V | B | 0.0000 | |
| 72 | P | B | -0.3865 | |
| 73 | R | B | 0.0000 | |
| 74 | I | B | 0.0000 | |
| 75 | Y | B | 0.0000 | |
| 76 | E | B | -0.7087 | |
| 77 | L | B | -0.5058 | |
| 78 | G | B | -1.1233 | |
| 79 | G | B | -1.6278 | |
| 80 | E | B | -2.1926 | |
| 81 | L | B | 0.0000 | |
| 82 | P | B | -2.0133 | |
| 83 | R | B | -2.4136 | |
| 84 | D | B | -1.8252 | |
| 85 | I | B | -1.5972 | |
| 86 | R | B | -2.7838 | |
| 87 | D | B | -3.2249 | |
| 88 | F | B | 0.0000 | |
| 89 | A | B | -2.0222 | |
| 90 | N | B | -2.7650 | |
| 91 | D | B | -2.6539 | |
| 92 | A | B | -1.5742 | |
| 93 | A | B | -0.8709 | |
| 94 | C | B | -0.7237 | |
| 95 | P | B | -0.9569 | |
| 96 | D | B | -0.9233 | |
| 97 | A | B | -0.6684 | |
| 98 | Y | B | -0.3228 | |
| 99 | L | B | -0.6298 | |
| 100 | P | B | -1.3252 | |
| 101 | Q | B | -2.1355 | |
| 102 | N | B | -2.8680 | |
| 103 | P | B | -2.3602 | |
| 104 | R | B | -3.2946 | |
| 105 | D | B | -2.8966 | |
| 106 | V | B | -2.0052 | |
| 107 | K | B | -2.0094 | |
| 108 | E | B | -2.2150 | |
| 109 | M | B | 0.0000 | |
| 110 | L | B | 0.0000 | |
| 111 | K | B | -1.6770 | |
| 112 | V | B | -1.0311 | |
| 113 | L | B | 0.0000 | |
| 114 | V | B | 0.0000 | |
| 115 | E | B | -2.3223 | |
| 116 | A | B | -1.3753 | |
| 117 | E | B | 0.0000 | |
| 118 | R | B | -1.8498 | |
| 119 | C | B | -1.2428 | |
| 120 | A | B | -0.8218 | |
| 121 | I | B | -1.1153 | |
| 122 | R | B | -2.2640 | |
| 123 | V | B | -1.4380 | |
| 124 | Y | B | 0.0000 | |
| 125 | T | B | -1.6711 | |
| 126 | D | B | -2.6166 | |
| 127 | I | B | 0.0000 | |
| 128 | C | B | 0.0000 | |
| 129 | N | B | -1.8697 | |
| 130 | M | B | -0.7858 | |
| 131 | T | B | 0.0000 | |
| 132 | F | B | -0.5845 | |
| 133 | G | B | -1.2100 | |
| 134 | K | B | -1.5792 | |
| 135 | D | B | -0.7604 | |
| 136 | H | B | -0.7585 | |
| 137 | R | B | 0.0000 | |
| 138 | T | B | 0.0000 | |
| 139 | Y | B | -0.2586 | |
| 140 | E | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | S | B | 0.0000 | |
| 143 | L | B | 0.1568 | |
| 144 | A | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | N | B | 0.0000 | |
| 148 | E | B | 0.0000 | |
| 149 | E | B | 0.0000 | |
| 150 | I | B | -0.1114 | |
| 151 | E | B | -0.4160 | |
| 152 | H | B | 0.0000 | |
| 153 | E | B | -0.9604 | |
| 154 | A | B | -0.5794 | |
| 155 | W | B | 0.0000 | |
| 156 | F | B | 0.0000 | |
| 157 | S | B | -0.6662 | |
| 158 | E | B | 0.0000 | |
| 159 | F | B | 0.0000 | |
| 160 | L | B | -0.4887 | |
| 161 | G | B | -0.9029 | |
| 162 | E | B | -1.9663 | |
| 163 | G | B | -1.3446 | |
| 164 | P | B | -1.0942 | |
| 165 | S | B | 0.0000 | |
| 166 | G | B | -0.2310 | |
| 167 | H | B | -0.0744 | |
| 168 | I | B | -0.0619 | |
| 169 | R | B | -0.6906 | |
| 170 | R | B | -0.8454 | |
| 171 | G | B | -0.8595 | |
| 172 | S | B | -1.2512 | |
| 173 | P | B | -1.0860 | |
| 174 | G | B | -1.0674 | |
| 175 | E | B | -1.8539 | |
| 176 | S | B | 0.0000 | |
| 177 | P | B | -0.4668 | |
| 178 | Y | B | 0.0000 | |
| 179 | T | B | 0.0000 | |
| 180 | S | B | -0.2360 | |
| 181 | R | B | 0.0345 | |
| 182 | F | B | 0.4577 | |
| 183 | L | B | 1.0136 | |
| 184 | V | B | 1.6397 | |
| 14 | V | C | 0.4800 | |
| 15 | N | C | -1.1079 | |
| 16 | T | C | -1.6576 | |
| 17 | E | C | -3.2127 | |
| 18 | E | C | -3.3382 | |
| 19 | L | C | 0.0000 | |
| 20 | V | C | -2.4924 | |
| 21 | K | C | -3.2718 | |
| 22 | K | C | -2.5022 | |
| 23 | L | C | 0.0000 | |
| 24 | V | C | -1.4705 | |
| 25 | R | C | -1.9857 | |
| 26 | A | C | 0.0000 | |
| 27 | A | C | 0.0000 | |
| 28 | A | C | 0.0000 | |
| 29 | A | C | -0.6093 | |
| 30 | E | C | 0.0000 | |
| 31 | F | C | 0.1072 | |
| 32 | T | C | -0.3286 | |
| 33 | T | C | -0.1769 | |
| 34 | Y | C | 0.0000 | |
| 35 | Y | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Y | C | 0.0000 | |
| 38 | T | C | 0.0000 | |
| 39 | I | C | 0.0000 | |
| 40 | L | C | 0.0000 | |
| 41 | R | C | 0.0000 | |
| 42 | V | C | 0.0000 | |
| 43 | N | C | -0.8374 | |
| 44 | A | C | 0.0000 | |
| 45 | I | C | -1.0995 | |
| 46 | G | C | -1.0007 | |
| 47 | F | C | -0.9637 | |
| 48 | E | C | -1.9647 | |
| 49 | G | C | 0.0000 | |
| 50 | E | C | 0.0000 | |
| 51 | G | C | -0.8366 | |
| 52 | L | C | 0.0000 | |
| 53 | K | C | 0.0000 | |
| 54 | E | C | -0.8137 | |
| 55 | I | C | 0.0000 | |
| 56 | I | C | 0.0000 | |
| 57 | E | C | 0.0000 | |
| 58 | D | C | 0.0000 | |
| 59 | A | C | 0.0000 | |
| 60 | R | C | 0.0000 | |
| 61 | L | C | -0.1585 | |
| 62 | E | C | 0.0000 | |
| 63 | D | C | 0.0000 | |
| 64 | R | C | -0.2849 | |
| 65 | N | C | -0.4447 | |
| 66 | H | C | 0.0000 | |
| 67 | F | C | 0.0000 | |
| 68 | E | C | -0.0563 | |
| 69 | A | C | 0.0000 | |
| 70 | L | C | 0.0000 | |
| 71 | V | C | 0.0000 | |
| 72 | P | C | -0.3639 | |
| 73 | R | C | 0.0000 | |
| 74 | I | C | 0.0000 | |
| 75 | Y | C | 0.0000 | |
| 76 | E | C | -0.6848 | |
| 77 | L | C | -0.5237 | |
| 78 | G | C | -1.1344 | |
| 79 | G | C | -1.6112 | |
| 80 | E | C | -2.1721 | |
| 81 | L | C | 0.0000 | |
| 82 | P | C | -1.9620 | |
| 83 | R | C | -2.3977 | |
| 84 | D | C | -1.7494 | |
| 85 | I | C | -1.4637 | |
| 86 | R | C | -2.5141 | |
| 87 | D | C | -3.0972 | |
| 88 | F | C | 0.0000 | |
| 89 | A | C | -1.9426 | |
| 90 | N | C | -2.6867 | |
| 91 | D | C | -2.5414 | |
| 92 | A | C | -1.5281 | |
| 93 | A | C | -0.8337 | |
| 94 | C | C | -0.7390 | |
| 95 | P | C | -1.0139 | |
| 96 | D | C | -1.0160 | |
| 97 | A | C | -0.7095 | |
| 98 | Y | C | -0.3280 | |
| 99 | L | C | -0.6876 | |
| 100 | P | C | -1.4378 | |
| 101 | Q | C | -2.1828 | |
| 102 | N | C | -2.9444 | |
| 103 | P | C | -2.4473 | |
| 104 | R | C | -3.4182 | |
| 105 | D | C | -3.0539 | |
| 106 | V | C | -2.1720 | |
| 107 | K | C | -2.2176 | |
| 108 | E | C | -2.5758 | |
| 109 | M | C | 0.0000 | |
| 110 | L | C | 0.0000 | |
| 111 | K | C | -2.0602 | |
| 112 | V | C | -1.2395 | |
| 113 | L | C | 0.0000 | |
| 114 | V | C | 0.0000 | |
| 115 | E | C | -2.4016 | |
| 116 | A | C | -1.4362 | |
| 117 | E | C | 0.0000 | |
| 118 | R | C | -1.8482 | |
| 119 | C | C | -1.2372 | |
| 120 | A | C | -0.8168 | |
| 121 | I | C | -1.1063 | |
| 122 | R | C | -2.2517 | |
| 123 | V | C | -1.4207 | |
| 124 | Y | C | 0.0000 | |
| 125 | T | C | -1.6503 | |
| 126 | D | C | -2.6090 | |
| 127 | I | C | 0.0000 | |
| 128 | C | C | 0.0000 | |
| 129 | N | C | -1.8529 | |
| 130 | M | C | -0.7942 | |
| 131 | T | C | 0.0000 | |
| 132 | F | C | -0.6371 | |
| 133 | G | C | -1.2841 | |
| 134 | K | C | -1.5911 | |
| 135 | D | C | -0.7760 | |
| 136 | H | C | -0.6299 | |
| 137 | R | C | 0.0000 | |
| 138 | T | C | 0.0000 | |
| 139 | Y | C | -0.2367 | |
| 140 | E | C | 0.0000 | |
| 141 | L | C | 0.0000 | |
| 142 | S | C | 0.0000 | |
| 143 | L | C | 0.2041 | |
| 144 | A | C | 0.0000 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | N | C | 0.0000 | |
| 148 | E | C | 0.0000 | |
| 149 | E | C | 0.0000 | |
| 150 | I | C | -0.0795 | |
| 151 | E | C | -0.3468 | |
| 152 | H | C | 0.0000 | |
| 153 | E | C | -0.9812 | |
| 154 | A | C | -0.5822 | |
| 155 | W | C | 0.0000 | |
| 156 | F | C | 0.0000 | |
| 157 | S | C | -0.7810 | |
| 158 | E | C | 0.0000 | |
| 159 | F | C | 0.0000 | |
| 160 | L | C | -0.6942 | |
| 161 | G | C | -1.0017 | |
| 162 | E | C | -2.0635 | |
| 163 | G | C | -1.4256 | |
| 164 | P | C | -1.1558 | |
| 165 | S | C | 0.0000 | |
| 166 | G | C | -0.2743 | |
| 167 | H | C | -0.1057 | |
| 168 | I | C | -0.0817 | |
| 169 | R | C | -0.7249 | |
| 170 | R | C | -0.9188 | |
| 171 | G | C | -0.8703 | |
| 172 | S | C | -1.2198 | |
| 173 | P | C | -0.9824 | |
| 174 | G | C | -0.9589 | |
| 175 | E | C | -1.7068 | |
| 176 | S | C | 0.0000 | |
| 177 | P | C | -0.5037 | |
| 178 | Y | C | 0.0000 | |
| 179 | T | C | 0.0000 | |
| 180 | S | C | -0.2635 | |
| 181 | R | C | -0.0759 | |
| 182 | F | C | 0.4274 | |
| 183 | L | C | 1.0322 | |
| 184 | V | C | 1.6515 | |
| 14 | V | D | 0.5476 | |
| 15 | N | D | -0.9676 | |
| 16 | T | D | -1.5893 | |
| 17 | E | D | -3.1692 | |
| 18 | E | D | -3.2918 | |
| 19 | L | D | 0.0000 | |
| 20 | V | D | -2.4745 | |
| 21 | K | D | -3.2719 | |
| 22 | K | D | -2.4921 | |
| 23 | L | D | 0.0000 | |
| 24 | V | D | -1.4712 | |
| 25 | R | D | -1.9849 | |
| 26 | A | D | 0.0000 | |
| 27 | A | D | 0.0000 | |
| 28 | A | D | 0.0000 | |
| 29 | A | D | -0.6134 | |
| 30 | E | D | 0.0000 | |
| 31 | F | D | 0.1056 | |
| 32 | T | D | 0.0000 | |
| 33 | T | D | -0.2059 | |
| 34 | Y | D | 0.0000 | |
| 35 | Y | D | 0.0000 | |
| 36 | Y | D | 0.0000 | |
| 37 | Y | D | 0.0000 | |
| 38 | T | D | 0.0000 | |
| 39 | I | D | -0.1797 | |
| 40 | L | D | 0.0000 | |
| 41 | R | D | 0.0000 | |
| 42 | V | D | 0.0000 | |
| 43 | N | D | -0.7634 | |
| 44 | A | D | 0.0000 | |
| 45 | I | D | -1.0155 | |
| 46 | G | D | -0.9278 | |
| 47 | F | D | -0.8975 | |
| 48 | E | D | -1.9920 | |
| 49 | G | D | 0.0000 | |
| 50 | E | D | 0.0000 | |
| 51 | G | D | -0.8829 | |
| 52 | L | D | 0.0000 | |
| 53 | K | D | 0.0000 | |
| 54 | E | D | -0.8764 | |
| 55 | I | D | 0.0000 | |
| 56 | I | D | 0.0000 | |
| 57 | E | D | 0.0000 | |
| 58 | D | D | -0.7612 | |
| 59 | A | D | 0.0000 | |
| 60 | R | D | 0.0000 | |
| 61 | L | D | -0.2279 | |
| 62 | E | D | 0.0000 | |
| 63 | D | D | 0.0000 | |
| 64 | R | D | -0.3540 | |
| 65 | N | D | -0.5360 | |
| 66 | H | D | 0.0000 | |
| 67 | F | D | 0.0000 | |
| 68 | E | D | -0.2073 | |
| 69 | A | D | 0.0000 | |
| 70 | L | D | 0.0000 | |
| 71 | V | D | 0.0000 | |
| 72 | P | D | -0.3625 | |
| 73 | R | D | 0.0000 | |
| 74 | I | D | 0.0000 | |
| 75 | Y | D | 0.0000 | |
| 76 | E | D | -0.6500 | |
| 77 | L | D | -0.4969 | |
| 78 | G | D | -1.1222 | |
| 79 | G | D | -1.5982 | |
| 80 | E | D | -2.1693 | |
| 81 | L | D | 0.0000 | |
| 82 | P | D | -1.9791 | |
| 83 | R | D | -2.3922 | |
| 84 | D | D | -1.7856 | |
| 85 | I | D | -1.6054 | |
| 86 | R | D | -2.7332 | |
| 87 | D | D | -3.2043 | |
| 88 | F | D | 0.0000 | |
| 89 | A | D | -2.0240 | |
| 90 | N | D | -2.7573 | |
| 91 | D | D | -2.5990 | |
| 92 | A | D | -1.5481 | |
| 93 | A | D | -0.8489 | |
| 94 | C | D | -0.7629 | |
| 95 | P | D | -1.0417 | |
| 96 | D | D | -1.0969 | |
| 97 | A | D | -0.4942 | |
| 98 | Y | D | -0.2706 | |
| 99 | L | D | -0.5104 | |
| 100 | P | D | -1.3117 | |
| 101 | Q | D | -2.0927 | |
| 102 | N | D | -2.7641 | |
| 103 | P | D | -2.2950 | |
| 104 | R | D | -3.1924 | |
| 105 | D | D | -2.7409 | |
| 106 | V | D | -1.9862 | |
| 107 | K | D | -2.0816 | |
| 108 | E | D | -2.4380 | |
| 109 | M | D | 0.0000 | |
| 110 | L | D | 0.0000 | |
| 111 | K | D | -1.7993 | |
| 112 | V | D | -1.1093 | |
| 113 | L | D | 0.0000 | |
| 114 | V | D | 0.0000 | |
| 115 | E | D | -2.3355 | |
| 116 | A | D | -1.4183 | |
| 117 | E | D | 0.0000 | |
| 118 | R | D | -1.9057 | |
| 119 | C | D | -1.2713 | |
| 120 | A | D | -0.8510 | |
| 121 | I | D | -1.1551 | |
| 122 | R | D | -2.2749 | |
| 123 | V | D | -1.4338 | |
| 124 | Y | D | 0.0000 | |
| 125 | T | D | -1.6912 | |
| 126 | D | D | -2.6139 | |
| 127 | I | D | 0.0000 | |
| 128 | C | D | 0.0000 | |
| 129 | N | D | -1.8490 | |
| 130 | M | D | -0.7686 | |
| 131 | T | D | 0.0000 | |
| 132 | F | D | -0.5202 | |
| 133 | G | D | -1.1485 | |
| 134 | K | D | -1.5605 | |
| 135 | D | D | -0.7326 | |
| 136 | H | D | -0.7146 | |
| 137 | R | D | 0.0000 | |
| 138 | T | D | 0.0000 | |
| 139 | Y | D | -0.2109 | |
| 140 | E | D | 0.0000 | |
| 141 | L | D | 0.0000 | |
| 142 | S | D | 0.0000 | |
| 143 | L | D | 0.2008 | |
| 144 | A | D | 0.0000 | |
| 145 | I | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | N | D | 0.0000 | |
| 148 | E | D | 0.0000 | |
| 149 | E | D | 0.0000 | |
| 150 | I | D | -0.1794 | |
| 151 | E | D | -0.3988 | |
| 152 | H | D | 0.0000 | |
| 153 | E | D | -1.0460 | |
| 154 | A | D | 0.0000 | |
| 155 | W | D | 0.0000 | |
| 156 | F | D | 0.0000 | |
| 157 | S | D | -0.7148 | |
| 158 | E | D | 0.0000 | |
| 159 | F | D | 0.0000 | |
| 160 | L | D | -0.6118 | |
| 161 | G | D | -0.9206 | |
| 162 | E | D | -1.9419 | |
| 163 | G | D | -1.5112 | |
| 164 | P | D | -1.0734 | |
| 165 | S | D | 0.0000 | |
| 166 | G | D | 0.0000 | |
| 167 | H | D | -0.0287 | |
| 168 | I | D | -0.0456 | |
| 169 | R | D | -0.7109 | |
| 170 | R | D | -0.9478 | |
| 171 | G | D | -0.9029 | |
| 172 | S | D | -1.2769 | |
| 173 | P | D | -1.0843 | |
| 174 | G | D | -1.0627 | |
| 175 | E | D | -1.8262 | |
| 176 | S | D | 0.0000 | |
| 177 | P | D | -0.4668 | |
| 178 | Y | D | 0.0000 | |
| 179 | T | D | 0.0000 | |
| 180 | S | D | -0.2257 | |
| 181 | R | D | 0.0622 | |
| 182 | F | D | 0.4792 | |
| 183 | L | D | 1.0353 | |
| 184 | V | D | 1.6047 | |
| 14 | V | E | 0.5456 | |
| 15 | N | E | -0.9681 | |
| 16 | T | E | -1.5907 | |
| 17 | E | E | -3.1718 | |
| 18 | E | E | -3.2978 | |
| 19 | L | E | 0.0000 | |
| 20 | V | E | -2.5451 | |
| 21 | K | E | -3.3924 | |
| 22 | K | E | -2.6223 | |
| 23 | L | E | 0.0000 | |
| 24 | V | E | 0.0000 | |
| 25 | R | E | -2.2530 | |
| 26 | A | E | 0.0000 | |
| 27 | A | E | 0.0000 | |
| 28 | A | E | 0.0000 | |
| 29 | A | E | -0.6620 | |
| 30 | E | E | 0.0000 | |
| 31 | F | E | 0.1061 | |
| 32 | T | E | -0.2343 | |
| 33 | T | E | -0.1674 | |
| 34 | Y | E | 0.0000 | |
| 35 | Y | E | 0.0000 | |
| 36 | Y | E | 0.0000 | |
| 37 | Y | E | 0.0000 | |
| 38 | T | E | 0.0000 | |
| 39 | I | E | 0.0000 | |
| 40 | L | E | 0.0000 | |
| 41 | R | E | 0.0000 | |
| 42 | V | E | 0.0000 | |
| 43 | N | E | -0.8408 | |
| 44 | A | E | 0.0000 | |
| 45 | I | E | -1.0068 | |
| 46 | G | E | -0.9384 | |
| 47 | F | E | -0.8913 | |
| 48 | E | E | -1.9656 | |
| 49 | G | E | 0.0000 | |
| 50 | E | E | 0.0000 | |
| 51 | G | E | -0.8396 | |
| 52 | L | E | 0.0000 | |
| 53 | K | E | 0.0000 | |
| 54 | E | E | -0.8132 | |
| 55 | I | E | 0.0000 | |
| 56 | I | E | 0.0000 | |
| 57 | E | E | -0.3215 | |
| 58 | D | E | 0.0000 | |
| 59 | A | E | 0.0000 | |
| 60 | R | E | 0.0000 | |
| 61 | L | E | -0.2340 | |
| 62 | E | E | 0.0000 | |
| 63 | D | E | 0.0000 | |
| 64 | R | E | -0.3134 | |
| 65 | N | E | -0.5247 | |
| 66 | H | E | 0.0000 | |
| 67 | F | E | 0.0000 | |
| 68 | E | E | -0.1160 | |
| 69 | A | E | 0.0000 | |
| 70 | L | E | 0.0000 | |
| 71 | V | E | 0.0000 | |
| 72 | P | E | -0.3814 | |
| 73 | R | E | 0.0000 | |
| 74 | I | E | 0.0000 | |
| 75 | Y | E | 0.0000 | |
| 76 | E | E | -0.6875 | |
| 77 | L | E | -0.5185 | |
| 78 | G | E | -1.1264 | |
| 79 | G | E | -1.6369 | |
| 80 | E | E | -2.1708 | |
| 81 | L | E | 0.0000 | |
| 82 | P | E | -2.0407 | |
| 83 | R | E | -2.4335 | |
| 84 | D | E | -1.9893 | |
| 85 | I | E | -1.7228 | |
| 86 | R | E | -2.9262 | |
| 87 | D | E | -3.3251 | |
| 88 | F | E | 0.0000 | |
| 89 | A | E | -2.1036 | |
| 90 | N | E | -2.8488 | |
| 91 | D | E | -2.8071 | |
| 92 | A | E | -1.6447 | |
| 93 | A | E | -0.9196 | |
| 94 | C | E | -0.7448 | |
| 95 | P | E | -0.9300 | |
| 96 | D | E | -0.8651 | |
| 97 | A | E | -0.4313 | |
| 98 | Y | E | -0.2518 | |
| 99 | L | E | -0.5305 | |
| 100 | P | E | -1.1511 | |
| 101 | Q | E | -1.9141 | |
| 102 | N | E | -2.3960 | |
| 103 | P | E | -2.0521 | |
| 104 | R | E | -2.9875 | |
| 105 | D | E | -2.4044 | |
| 106 | V | E | -1.7528 | |
| 107 | K | E | -1.7635 | |
| 108 | E | E | -1.9949 | |
| 109 | M | E | 0.0000 | |
| 110 | L | E | 0.0000 | |
| 111 | K | E | -1.7116 | |
| 112 | V | E | -1.0337 | |
| 113 | L | E | 0.0000 | |
| 114 | V | E | 0.0000 | |
| 115 | E | E | -2.3574 | |
| 116 | A | E | -1.3985 | |
| 117 | E | E | 0.0000 | |
| 118 | R | E | -1.9109 | |
| 119 | C | E | -1.2792 | |
| 120 | A | E | -0.8572 | |
| 121 | I | E | -1.1626 | |
| 122 | R | E | -2.2787 | |
| 123 | V | E | -1.4578 | |
| 124 | Y | E | 0.0000 | |
| 125 | T | E | -1.6974 | |
| 126 | D | E | -2.6232 | |
| 127 | I | E | 0.0000 | |
| 128 | C | E | 0.0000 | |
| 129 | N | E | -1.9055 | |
| 130 | M | E | -0.7960 | |
| 131 | T | E | 0.0000 | |
| 132 | F | E | -0.5985 | |
| 133 | G | E | -1.1769 | |
| 134 | K | E | -1.5662 | |
| 135 | D | E | -0.7519 | |
| 136 | H | E | -0.7405 | |
| 137 | R | E | 0.0000 | |
| 138 | T | E | 0.0000 | |
| 139 | Y | E | -0.2522 | |
| 140 | E | E | 0.0000 | |
| 141 | L | E | 0.0000 | |
| 142 | S | E | 0.0000 | |
| 143 | L | E | 0.1654 | |
| 144 | A | E | 0.0000 | |
| 145 | I | E | 0.0000 | |
| 146 | L | E | 0.0000 | |
| 147 | N | E | 0.0000 | |
| 148 | E | E | 0.0000 | |
| 149 | E | E | 0.0000 | |
| 150 | I | E | -0.1500 | |
| 151 | E | E | -0.3471 | |
| 152 | H | E | 0.0000 | |
| 153 | E | E | -1.0477 | |
| 154 | A | E | 0.0000 | |
| 155 | W | E | 0.0000 | |
| 156 | F | E | 0.0000 | |
| 157 | S | E | -0.6840 | |
| 158 | E | E | 0.0000 | |
| 159 | F | E | 0.0000 | |
| 160 | L | E | -0.4689 | |
| 161 | G | E | -0.8648 | |
| 162 | E | E | -1.8893 | |
| 163 | G | E | -1.3114 | |
| 164 | P | E | -1.1217 | |
| 165 | S | E | 0.0000 | |
| 166 | G | E | 0.0000 | |
| 167 | H | E | -0.0640 | |
| 168 | I | E | -0.0697 | |
| 169 | R | E | -0.6524 | |
| 170 | R | E | -0.7923 | |
| 171 | G | E | -0.8061 | |
| 172 | S | E | -1.2015 | |
| 173 | P | E | -1.0181 | |
| 174 | G | E | -1.0294 | |
| 175 | E | E | -1.8021 | |
| 176 | S | E | 0.0000 | |
| 177 | P | E | -0.4561 | |
| 178 | Y | E | 0.0000 | |
| 179 | T | E | 0.0000 | |
| 180 | S | E | -0.2665 | |
| 181 | R | E | 0.0352 | |
| 182 | F | E | 0.4557 | |
| 183 | L | E | 1.0154 | |
| 184 | V | E | 1.6522 | |
| 14 | V | F | 0.5397 | |
| 15 | N | F | -0.9808 | |
| 16 | T | F | -1.5900 | |
| 17 | E | F | -3.1666 | |
| 18 | E | F | -3.2846 | |
| 19 | L | F | 0.0000 | |
| 20 | V | F | -2.4775 | |
| 21 | K | F | -3.2767 | |
| 22 | K | F | -2.4799 | |
| 23 | L | F | 0.0000 | |
| 24 | V | F | -1.5099 | |
| 25 | R | F | -2.0705 | |
| 26 | A | F | 0.0000 | |
| 27 | A | F | 0.0000 | |
| 28 | A | F | 0.0000 | |
| 29 | A | F | -0.6752 | |
| 30 | E | F | 0.0000 | |
| 31 | F | F | 0.0000 | |
| 32 | T | F | 0.0000 | |
| 33 | T | F | -0.2362 | |
| 34 | Y | F | 0.0000 | |
| 35 | Y | F | 0.0000 | |
| 36 | Y | F | 0.0000 | |
| 37 | Y | F | 0.0000 | |
| 38 | T | F | 0.0000 | |
| 39 | I | F | 0.0000 | |
| 40 | L | F | 0.0000 | |
| 41 | R | F | 0.0000 | |
| 42 | V | F | 0.0000 | |
| 43 | N | F | -0.8241 | |
| 44 | A | F | 0.0000 | |
| 45 | I | F | -1.0372 | |
| 46 | G | F | -0.9590 | |
| 47 | F | F | -0.9166 | |
| 48 | E | F | -1.9639 | |
| 49 | G | F | 0.0000 | |
| 50 | E | F | 0.0000 | |
| 51 | G | F | -0.8504 | |
| 52 | L | F | 0.0000 | |
| 53 | K | F | 0.0000 | |
| 54 | E | F | -0.8089 | |
| 55 | I | F | 0.0000 | |
| 56 | I | F | 0.0000 | |
| 57 | E | F | 0.0000 | |
| 58 | D | F | 0.0000 | |
| 59 | A | F | 0.0000 | |
| 60 | R | F | 0.0000 | |
| 61 | L | F | -0.1306 | |
| 62 | E | F | 0.0000 | |
| 63 | D | F | 0.0000 | |
| 64 | R | F | -0.2986 | |
| 65 | N | F | 0.0000 | |
| 66 | H | F | 0.0000 | |
| 67 | F | F | 0.0000 | |
| 68 | E | F | -0.1846 | |
| 69 | A | F | 0.0000 | |
| 70 | L | F | 0.0000 | |
| 71 | V | F | 0.0000 | |
| 72 | P | F | -0.3645 | |
| 73 | R | F | 0.0000 | |
| 74 | I | F | 0.0000 | |
| 75 | Y | F | 0.0000 | |
| 76 | E | F | -0.6968 | |
| 77 | L | F | -0.5056 | |
| 78 | G | F | -1.1226 | |
| 79 | G | F | -1.6018 | |
| 80 | E | F | -2.1779 | |
| 81 | L | F | 0.0000 | |
| 82 | P | F | -2.0233 | |
| 83 | R | F | -2.4551 | |
| 84 | D | F | -1.8936 | |
| 85 | I | F | 0.0000 | |
| 86 | R | F | -2.8358 | |
| 87 | D | F | -3.2491 | |
| 88 | F | F | 0.0000 | |
| 89 | A | F | -2.1091 | |
| 90 | N | F | -2.7689 | |
| 91 | D | F | -2.6113 | |
| 92 | A | F | -1.5746 | |
| 93 | A | F | -0.8422 | |
| 94 | C | F | -0.7063 | |
| 95 | P | F | -0.9394 | |
| 96 | D | F | -0.9170 | |
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| 98 | Y | F | -0.3576 | |
| 99 | L | F | -0.6454 | |
| 100 | P | F | -1.3440 | |
| 101 | Q | F | -2.1364 | |
| 102 | N | F | -2.8405 | |
| 103 | P | F | -2.3255 | |
| 104 | R | F | -3.2224 | |
| 105 | D | F | -2.7883 | |
| 106 | V | F | -1.9188 | |
| 107 | K | F | -1.8854 | |
| 108 | E | F | -2.1918 | |
| 109 | M | F | 0.0000 | |
| 110 | L | F | 0.0000 | |
| 111 | K | F | -1.7584 | |
| 112 | V | F | -1.0680 | |
| 113 | L | F | 0.0000 | |
| 114 | V | F | 0.0000 | |
| 115 | E | F | -2.3256 | |
| 116 | A | F | -1.3570 | |
| 117 | E | F | 0.0000 | |
| 118 | R | F | -1.7550 | |
| 119 | C | F | -1.1956 | |
| 120 | A | F | -0.7788 | |
| 121 | I | F | -1.0541 | |
| 122 | R | F | -2.2201 | |
| 123 | V | F | -1.3900 | |
| 124 | Y | F | 0.0000 | |
| 125 | T | F | -1.6729 | |
| 126 | D | F | -2.6105 | |
| 127 | I | F | 0.0000 | |
| 128 | C | F | 0.0000 | |
| 129 | N | F | -1.9058 | |
| 130 | M | F | -0.8111 | |
| 131 | T | F | 0.0000 | |
| 132 | F | F | -0.6250 | |
| 133 | G | F | -1.2334 | |
| 134 | K | F | -1.5910 | |
| 135 | D | F | -0.7640 | |
| 136 | H | F | -0.7571 | |
| 137 | R | F | 0.0000 | |
| 138 | T | F | 0.0000 | |
| 139 | Y | F | -0.2498 | |
| 140 | E | F | 0.0000 | |
| 141 | L | F | 0.0000 | |
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| 144 | A | F | 0.0000 | |
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| 146 | L | F | 0.0000 | |
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| 150 | I | F | -0.0779 | |
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| 153 | E | F | -0.9243 | |
| 154 | A | F | -0.5442 | |
| 155 | W | F | 0.0000 | |
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| 158 | E | F | 0.0000 | |
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| 162 | E | F | -1.9152 | |
| 163 | G | F | -1.3192 | |
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| 167 | H | F | -0.0527 | |
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| 170 | R | F | -0.7949 | |
| 171 | G | F | -0.8307 | |
| 172 | S | F | -1.2028 | |
| 173 | P | F | -0.9835 | |
| 174 | G | F | -0.9481 | |
| 175 | E | F | -1.7540 | |
| 176 | S | F | 0.0000 | |
| 177 | P | F | -0.4462 | |
| 178 | Y | F | 0.0000 | |
| 179 | T | F | 0.0000 | |
| 180 | S | F | -0.1837 | |
| 181 | R | F | 0.0243 | |
| 182 | F | F | 0.4698 | |
| 183 | L | F | 1.0540 | |
| 184 | V | F | 1.6334 | |
| 14 | V | G | 0.5482 | |
| 15 | N | G | -0.9619 | |
| 16 | T | G | -1.5855 | |
| 17 | E | G | -3.1670 | |
| 18 | E | G | -3.2900 | |
| 19 | L | G | 0.0000 | |
| 20 | V | G | -2.4781 | |
| 21 | K | G | -3.2765 | |
| 22 | K | G | -2.5033 | |
| 23 | L | G | 0.0000 | |
| 24 | V | G | -1.4788 | |
| 25 | R | G | -2.0030 | |
| 26 | A | G | 0.0000 | |
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| 29 | A | G | -0.5896 | |
| 30 | E | G | 0.0000 | |
| 31 | F | G | 0.0907 | |
| 32 | T | G | -0.3013 | |
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| 34 | Y | G | 0.0000 | |
| 35 | Y | G | 0.0000 | |
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| 40 | L | G | 0.0000 | |
| 41 | R | G | 0.0000 | |
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| 51 | G | G | -0.9744 | |
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| 54 | E | G | -1.1260 | |
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| 58 | D | G | 0.0000 | |
| 59 | A | G | 0.0000 | |
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| 68 | E | G | -0.0539 | |
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| 71 | V | G | 0.0000 | |
| 72 | P | G | -0.3876 | |
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| 74 | I | G | 0.0000 | |
| 75 | Y | G | 0.0000 | |
| 76 | E | G | -0.6914 | |
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| 80 | E | G | -2.1712 | |
| 81 | L | G | 0.0000 | |
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| 83 | R | G | -2.3907 | |
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| 85 | I | G | -1.5690 | |
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| 87 | D | G | -3.1767 | |
| 88 | F | G | 0.0000 | |
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| 90 | N | G | -2.7352 | |
| 91 | D | G | -2.5735 | |
| 92 | A | G | -1.5100 | |
| 93 | A | G | -0.8243 | |
| 94 | C | G | -0.7009 | |
| 95 | P | G | -0.9243 | |
| 96 | D | G | -0.8485 | |
| 97 | A | G | -0.6434 | |
| 98 | Y | G | -0.3259 | |
| 99 | L | G | -0.6729 | |
| 100 | P | G | -1.3526 | |
| 101 | Q | G | -2.1429 | |
| 102 | N | G | -2.8755 | |
| 103 | P | G | -2.3806 | |
| 104 | R | G | -3.3430 | |
| 105 | D | G | -2.8991 | |
| 106 | V | G | -2.0601 | |
| 107 | K | G | -2.0918 | |
| 108 | E | G | -2.2762 | |
| 109 | M | G | 0.0000 | |
| 110 | L | G | 0.0000 | |
| 111 | K | G | -1.7724 | |
| 112 | V | G | -1.0766 | |
| 113 | L | G | 0.0000 | |
| 114 | V | G | 0.0000 | |
| 115 | E | G | -2.3368 | |
| 116 | A | G | -1.3715 | |
| 117 | E | G | 0.0000 | |
| 118 | R | G | -1.8125 | |
| 119 | C | G | -1.2554 | |
| 120 | A | G | -0.8221 | |
| 121 | I | G | -1.1082 | |
| 122 | R | G | -2.2627 | |
| 123 | V | G | -1.4321 | |
| 124 | Y | G | 0.0000 | |
| 125 | T | G | -1.6736 | |
| 126 | D | G | -2.6214 | |
| 127 | I | G | 0.0000 | |
| 128 | C | G | 0.0000 | |
| 129 | N | G | -1.8517 | |
| 130 | M | G | -0.7960 | |
| 131 | T | G | 0.0000 | |
| 132 | F | G | -0.6015 | |
| 133 | G | G | -1.2918 | |
| 134 | K | G | -1.5927 | |
| 135 | D | G | -0.7667 | |
| 136 | H | G | -0.6054 | |
| 137 | R | G | 0.0000 | |
| 138 | T | G | 0.0000 | |
| 139 | Y | G | -0.2254 | |
| 140 | E | G | 0.0000 | |
| 141 | L | G | 0.0000 | |
| 142 | S | G | 0.0000 | |
| 143 | L | G | 0.1701 | |
| 144 | A | G | 0.0000 | |
| 145 | I | G | 0.0000 | |
| 146 | L | G | 0.0000 | |
| 147 | N | G | 0.0000 | |
| 148 | E | G | 0.0000 | |
| 149 | E | G | 0.0000 | |
| 150 | I | G | -0.0306 | |
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| 152 | H | G | 0.0000 | |
| 153 | E | G | -0.9260 | |
| 154 | A | G | -0.5350 | |
| 155 | W | G | 0.0000 | |
| 156 | F | G | 0.0000 | |
| 157 | S | G | -0.6590 | |
| 158 | E | G | 0.0000 | |
| 159 | F | G | 0.0000 | |
| 160 | L | G | -0.5071 | |
| 161 | G | G | -0.8739 | |
| 162 | E | G | -1.8903 | |
| 163 | G | G | -1.3182 | |
| 164 | P | G | -1.0922 | |
| 165 | S | G | 0.0000 | |
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| 167 | H | G | -0.0802 | |
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| 171 | G | G | -0.9787 | |
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| 175 | E | G | -1.9263 | |
| 176 | S | G | 0.0000 | |
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| 178 | Y | G | 0.0000 | |
| 179 | T | G | 0.0000 | |
| 180 | S | G | -0.2630 | |
| 181 | R | G | -0.0414 | |
| 182 | F | G | 0.4583 | |
| 183 | L | G | 1.0501 | |
| 184 | V | G | 1.6258 | |
| 14 | V | H | 0.5436 | |
| 15 | N | H | -0.9743 | |
| 16 | T | H | -1.5919 | |
| 17 | E | H | -3.1703 | |
| 18 | E | H | -3.2938 | |
| 19 | L | H | 0.0000 | |
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| 22 | K | H | -2.5066 | |
| 23 | L | H | 0.0000 | |
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| 30 | E | H | 0.0000 | |
| 31 | F | H | 0.1046 | |
| 32 | T | H | 0.0000 | |
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| 34 | Y | H | 0.0000 | |
| 35 | Y | H | 0.0000 | |
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| 40 | L | H | 0.0000 | |
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| 44 | A | H | 0.0000 | |
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| 68 | E | H | -0.2256 | |
| 69 | A | H | 0.0000 | |
| 70 | L | H | 0.0000 | |
| 71 | V | H | 0.0000 | |
| 72 | P | H | -0.3740 | |
| 73 | R | H | 0.0000 | |
| 74 | I | H | 0.0000 | |
| 75 | Y | H | 0.0000 | |
| 76 | E | H | -0.6817 | |
| 77 | L | H | -0.4907 | |
| 78 | G | H | -1.1153 | |
| 79 | G | H | -1.5975 | |
| 80 | E | H | -2.1640 | |
| 81 | L | H | 0.0000 | |
| 82 | P | H | -1.9834 | |
| 83 | R | H | -2.4148 | |
| 84 | D | H | -1.8079 | |
| 85 | I | H | -1.5619 | |
| 86 | R | H | -2.7036 | |
| 87 | D | H | -3.1981 | |
| 88 | F | H | 0.0000 | |
| 89 | A | H | -2.0195 | |
| 90 | N | H | -2.7497 | |
| 91 | D | H | -2.5977 | |
| 92 | A | H | -1.5550 | |
| 93 | A | H | -0.8576 | |
| 94 | C | H | -0.7598 | |
| 95 | P | H | -1.0160 | |
| 96 | D | H | -1.0770 | |
| 97 | A | H | -0.5020 | |
| 98 | Y | H | -0.2747 | |
| 99 | L | H | -0.7839 | |
| 100 | P | H | -1.4981 | |
| 101 | Q | H | -2.2247 | |
| 102 | N | H | -2.9950 | |
| 103 | P | H | -2.4947 | |
| 104 | R | H | -3.3751 | |
| 105 | D | H | -3.0429 | |
| 106 | V | H | -2.1350 | |
| 107 | K | H | -2.2101 | |
| 108 | E | H | -2.6531 | |
| 109 | M | H | 0.0000 | |
| 110 | L | H | 0.0000 | |
| 111 | K | H | -1.9293 | |
| 112 | V | H | -1.1923 | |
| 113 | L | H | 0.0000 | |
| 114 | V | H | 0.0000 | |
| 115 | E | H | -2.3571 | |
| 116 | A | H | -1.4236 | |
| 117 | E | H | 0.0000 | |
| 118 | R | H | -1.8607 | |
| 119 | C | H | -1.2513 | |
| 120 | A | H | -0.8361 | |
| 121 | I | H | -1.1352 | |
| 122 | R | H | -2.2606 | |
| 123 | V | H | -1.4302 | |
| 124 | Y | H | 0.0000 | |
| 125 | T | H | -1.6910 | |
| 126 | D | H | -2.6143 | |
| 127 | I | H | 0.0000 | |
| 128 | C | H | 0.0000 | |
| 129 | N | H | -1.8907 | |
| 130 | M | H | -0.7887 | |
| 131 | T | H | 0.0000 | |
| 132 | F | H | -0.5971 | |
| 133 | G | H | -1.1935 | |
| 134 | K | H | -1.5799 | |
| 135 | D | H | -0.7444 | |
| 136 | H | H | -0.7220 | |
| 137 | R | H | 0.0000 | |
| 138 | T | H | 0.0000 | |
| 139 | Y | H | -0.2477 | |
| 140 | E | H | 0.0000 | |
| 141 | L | H | 0.0000 | |
| 142 | S | H | 0.0000 | |
| 143 | L | H | 0.1750 | |
| 144 | A | H | 0.0000 | |
| 145 | I | H | 0.0000 | |
| 146 | L | H | 0.0000 | |
| 147 | N | H | 0.0000 | |
| 148 | E | H | 0.0000 | |
| 149 | E | H | 0.0000 | |
| 150 | I | H | -0.1207 | |
| 151 | E | H | -0.3075 | |
| 152 | H | H | 0.0000 | |
| 153 | E | H | -1.0304 | |
| 154 | A | H | 0.0000 | |
| 155 | W | H | 0.0000 | |
| 156 | F | H | 0.0000 | |
| 157 | S | H | -0.7183 | |
| 158 | E | H | 0.0000 | |
| 159 | F | H | 0.0000 | |
| 160 | L | H | -0.6458 | |
| 161 | G | H | -0.8993 | |
| 162 | E | H | -1.9012 | |
| 163 | G | H | -1.4935 | |
| 164 | P | H | -1.0756 | |
| 165 | S | H | 0.0000 | |
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| 167 | H | H | -0.0133 | |
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| 169 | R | H | -0.6429 | |
| 170 | R | H | -0.7270 | |
| 171 | G | H | -0.8352 | |
| 172 | S | H | -1.1839 | |
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| 174 | G | H | -0.9750 | |
| 175 | E | H | -1.7531 | |
| 176 | S | H | 0.0000 | |
| 177 | P | H | -0.4482 | |
| 178 | Y | H | 0.0000 | |
| 179 | T | H | 0.0000 | |
| 180 | S | H | -0.1957 | |
| 181 | R | H | 0.0316 | |
| 182 | F | H | 0.4738 | |
| 183 | L | H | 1.0449 | |
| 184 | V | H | 1.6435 | |
| 14 | V | I | 0.5442 | |
| 15 | N | I | -0.9721 | |
| 16 | T | I | -1.5936 | |
| 17 | E | I | -3.1737 | |
| 18 | E | I | -3.2956 | |
| 19 | L | I | 0.0000 | |
| 20 | V | I | -2.4922 | |
| 21 | K | I | -3.3403 | |
| 22 | K | I | -2.5692 | |
| 23 | L | I | 0.0000 | |
| 24 | V | I | 0.0000 | |
| 25 | R | I | -2.0901 | |
| 26 | A | I | 0.0000 | |
| 27 | A | I | 0.0000 | |
| 28 | A | I | 0.0000 | |
| 29 | A | I | -0.5954 | |
| 30 | E | I | 0.0000 | |
| 31 | F | I | 0.1078 | |
| 32 | T | I | -0.2210 | |
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| 34 | Y | I | 0.0000 | |
| 35 | Y | I | 0.0000 | |
| 36 | Y | I | 0.0000 | |
| 37 | Y | I | 0.0000 | |
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| 39 | I | I | 0.0000 | |
| 40 | L | I | 0.0000 | |
| 41 | R | I | -0.2965 | |
| 42 | V | I | 0.0000 | |
| 43 | N | I | -0.9253 | |
| 44 | A | I | 0.0000 | |
| 45 | I | I | -1.0446 | |
| 46 | G | I | 0.0000 | |
| 47 | F | I | -0.8221 | |
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| 49 | G | I | 0.0000 | |
| 50 | E | I | 0.0000 | |
| 51 | G | I | -0.8569 | |
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| 60 | R | I | 0.0000 | |
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| 63 | D | I | 0.0000 | |
| 64 | R | I | -0.3127 | |
| 65 | N | I | -0.5466 | |
| 66 | H | I | 0.0000 | |
| 67 | F | I | 0.0000 | |
| 68 | E | I | -0.2042 | |
| 69 | A | I | 0.0000 | |
| 70 | L | I | 0.0000 | |
| 71 | V | I | 0.0000 | |
| 72 | P | I | -0.3522 | |
| 73 | R | I | 0.0000 | |
| 74 | I | I | 0.0000 | |
| 75 | Y | I | 0.0000 | |
| 76 | E | I | -0.6366 | |
| 77 | L | I | -0.4851 | |
| 78 | G | I | -1.0636 | |
| 79 | G | I | -1.4897 | |
| 80 | E | I | -1.8840 | |
| 81 | L | I | 0.0000 | |
| 82 | P | I | -1.9705 | |
| 83 | R | I | -2.4508 | |
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| 87 | D | I | -3.2985 | |
| 88 | F | I | 0.0000 | |
| 89 | A | I | -2.0298 | |
| 90 | N | I | -2.7524 | |
| 91 | D | I | -2.6029 | |
| 92 | A | I | -1.5132 | |
| 93 | A | I | -0.8336 | |
| 94 | C | I | -0.6977 | |
| 95 | P | I | -0.8977 | |
| 96 | D | I | -0.8073 | |
| 97 | A | I | -0.4133 | |
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| 99 | L | I | -0.6349 | |
| 100 | P | I | -1.3194 | |
| 101 | Q | I | -2.1179 | |
| 102 | N | I | -2.8324 | |
| 103 | P | I | -2.3299 | |
| 104 | R | I | -3.2163 | |
| 105 | D | I | -2.7441 | |
| 106 | V | I | -1.9931 | |
| 107 | K | I | -1.9908 | |
| 108 | E | I | -2.2050 | |
| 109 | M | I | 0.0000 | |
| 110 | L | I | 0.0000 | |
| 111 | K | I | -1.7564 | |
| 112 | V | I | -1.0741 | |
| 113 | L | I | 0.0000 | |
| 114 | V | I | 0.0000 | |
| 115 | E | I | -2.3771 | |
| 116 | A | I | -1.4028 | |
| 117 | E | I | 0.0000 | |
| 118 | R | I | -1.9420 | |
| 119 | C | I | -1.3003 | |
| 120 | A | I | -0.8707 | |
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| 122 | R | I | -2.2897 | |
| 123 | V | I | -1.4474 | |
| 124 | Y | I | 0.0000 | |
| 125 | T | I | -1.6926 | |
| 126 | D | I | -2.6182 | |
| 127 | I | I | 0.0000 | |
| 128 | C | I | 0.0000 | |
| 129 | N | I | -1.9054 | |
| 130 | M | I | -0.8024 | |
| 131 | T | I | 0.0000 | |
| 132 | F | I | -0.6215 | |
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| 134 | K | I | -1.5979 | |
| 135 | D | I | -0.7611 | |
| 136 | H | I | -0.7472 | |
| 137 | R | I | 0.0000 | |
| 138 | T | I | 0.0000 | |
| 139 | Y | I | -0.2417 | |
| 140 | E | I | 0.0000 | |
| 141 | L | I | 0.0000 | |
| 142 | S | I | 0.0000 | |
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| 144 | A | I | 0.0000 | |
| 145 | I | I | 0.0000 | |
| 146 | L | I | 0.0000 | |
| 147 | N | I | 0.0000 | |
| 148 | E | I | 0.0000 | |
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| 150 | I | I | -0.0382 | |
| 151 | E | I | 0.0000 | |
| 152 | H | I | 0.0000 | |
| 153 | E | I | -0.9524 | |
| 154 | A | I | -0.4583 | |
| 155 | W | I | 0.0000 | |
| 156 | F | I | 0.0000 | |
| 157 | S | I | -0.5869 | |
| 158 | E | I | 0.0000 | |
| 159 | F | I | 0.0000 | |
| 160 | L | I | -0.2583 | |
| 161 | G | I | -0.7414 | |
| 162 | E | I | -1.8243 | |
| 163 | G | I | -1.2615 | |
| 164 | P | I | -1.0339 | |
| 165 | S | I | 0.0000 | |
| 166 | G | I | 0.0000 | |
| 167 | H | I | -0.0176 | |
| 168 | I | I | -0.1105 | |
| 169 | R | I | -0.7896 | |
| 170 | R | I | -1.0582 | |
| 171 | G | I | -0.9630 | |
| 172 | S | I | -1.3873 | |
| 173 | P | I | -1.2192 | |
| 174 | G | I | -1.2276 | |
| 175 | E | I | -2.1457 | |
| 176 | S | I | 0.0000 | |
| 177 | P | I | -0.4975 | |
| 178 | Y | I | 0.0000 | |
| 179 | T | I | 0.0000 | |
| 180 | S | I | -0.2288 | |
| 181 | R | I | 0.0789 | |
| 182 | F | I | 0.4860 | |
| 183 | L | I | 1.0494 | |
| 184 | V | I | 1.6587 | |
| 14 | V | J | 0.5601 | |
| 15 | N | J | -0.9619 | |
| 16 | T | J | -1.5893 | |
| 17 | E | J | -3.1684 | |
| 18 | E | J | -3.2914 | |
| 19 | L | J | 0.0000 | |
| 20 | V | J | -2.4787 | |
| 21 | K | J | -3.2824 | |
| 22 | K | J | -2.5075 | |
| 23 | L | J | 0.0000 | |
| 24 | V | J | -1.4973 | |
| 25 | R | J | -2.0302 | |
| 26 | A | J | 0.0000 | |
| 27 | A | J | 0.0000 | |
| 28 | A | J | 0.0000 | |
| 29 | A | J | -0.5687 | |
| 30 | E | J | 0.0000 | |
| 31 | F | J | 0.0909 | |
| 32 | T | J | -0.1784 | |
| 33 | T | J | -0.1301 | |
| 34 | Y | J | 0.0000 | |
| 35 | Y | J | 0.0000 | |
| 36 | Y | J | 0.0000 | |
| 37 | Y | J | 0.0000 | |
| 38 | T | J | 0.0000 | |
| 39 | I | J | 0.0000 | |
| 40 | L | J | 0.0000 | |
| 41 | R | J | 0.0000 | |
| 42 | V | J | 0.0000 | |
| 43 | N | J | -0.8322 | |
| 44 | A | J | 0.0000 | |
| 45 | I | J | -1.0746 | |
| 46 | G | J | -1.0338 | |
| 47 | F | J | -0.9206 | |
| 48 | E | J | -1.9783 | |
| 49 | G | J | 0.0000 | |
| 50 | E | J | -0.7214 | |
| 51 | G | J | -0.8979 | |
| 52 | L | J | 0.0000 | |
| 53 | K | J | 0.0000 | |
| 54 | E | J | -0.8168 | |
| 55 | I | J | 0.0000 | |
| 56 | I | J | 0.0000 | |
| 57 | E | J | 0.0000 | |
| 58 | D | J | 0.0000 | |
| 59 | A | J | 0.0000 | |
| 60 | R | J | 0.0000 | |
| 61 | L | J | -0.1986 | |
| 62 | E | J | 0.0000 | |
| 63 | D | J | 0.0000 | |
| 64 | R | J | -0.2985 | |
| 65 | N | J | -0.5110 | |
| 66 | H | J | 0.0000 | |
| 67 | F | J | 0.0000 | |
| 68 | E | J | -0.1810 | |
| 69 | A | J | 0.0000 | |
| 70 | L | J | 0.0000 | |
| 71 | V | J | 0.0000 | |
| 72 | P | J | -0.3714 | |
| 73 | R | J | 0.0000 | |
| 74 | I | J | 0.0000 | |
| 75 | Y | J | 0.0000 | |
| 76 | E | J | -0.7184 | |
| 77 | L | J | -0.5062 | |
| 78 | G | J | -1.1224 | |
| 79 | G | J | -1.6013 | |
| 80 | E | J | -2.1656 | |
| 81 | L | J | 0.0000 | |
| 82 | P | J | -1.9353 | |
| 83 | R | J | -2.3104 | |
| 84 | D | J | 0.0000 | |
| 85 | I | J | -1.5047 | |
| 86 | R | J | -2.6736 | |
| 87 | D | J | -3.1460 | |
| 88 | F | J | 0.0000 | |
| 89 | A | J | -1.9326 | |
| 90 | N | J | -2.7399 | |
| 91 | D | J | -2.6183 | |
| 92 | A | J | -1.4994 | |
| 93 | A | J | -0.8127 | |
| 94 | C | J | -0.6602 | |
| 95 | P | J | -0.8302 | |
| 96 | D | J | -0.6687 | |
| 97 | A | J | -0.5604 | |
| 98 | Y | J | -0.2930 | |
| 99 | L | J | -0.6194 | |
| 100 | P | J | -1.2226 | |
| 101 | Q | J | -1.9997 | |
| 102 | N | J | -2.5506 | |
| 103 | P | J | -2.1280 | |
| 104 | R | J | -3.0274 | |
| 105 | D | J | -2.4178 | |
| 106 | V | J | -1.7588 | |
| 107 | K | J | -1.7622 | |
| 108 | E | J | -1.9529 | |
| 109 | M | J | 0.0000 | |
| 110 | L | J | 0.0000 | |
| 111 | K | J | -1.7177 | |
| 112 | V | J | -1.0119 | |
| 113 | L | J | 0.0000 | |
| 114 | V | J | 0.0000 | |
| 115 | E | J | -2.3517 | |
| 116 | A | J | -1.3532 | |
| 117 | E | J | 0.0000 | |
| 118 | R | J | -1.8695 | |
| 119 | C | J | -1.2603 | |
| 120 | A | J | -0.8369 | |
| 121 | I | J | -1.1341 | |
| 122 | R | J | -2.2687 | |
| 123 | V | J | -1.4372 | |
| 124 | Y | J | 0.0000 | |
| 125 | T | J | -1.6571 | |
| 126 | D | J | -2.5944 | |
| 127 | I | J | 0.0000 | |
| 128 | C | J | 0.0000 | |
| 129 | N | J | -1.7715 | |
| 130 | M | J | -0.6365 | |
| 131 | T | J | 0.0000 | |
| 132 | F | J | -0.3562 | |
| 133 | G | J | -0.9940 | |
| 134 | K | J | -1.4583 | |
| 135 | D | J | -0.6855 | |
| 136 | H | J | -0.7045 | |
| 137 | R | J | 0.0000 | |
| 138 | T | J | 0.0000 | |
| 139 | Y | J | -0.1640 | |
| 140 | E | J | 0.0000 | |
| 141 | L | J | 0.0000 | |
| 142 | S | J | 0.0000 | |
| 143 | L | J | 0.1759 | |
| 144 | A | J | 0.0000 | |
| 145 | I | J | 0.0000 | |
| 146 | L | J | 0.0000 | |
| 147 | N | J | 0.0000 | |
| 148 | E | J | 0.0000 | |
| 149 | E | J | 0.0000 | |
| 150 | I | J | -0.0680 | |
| 151 | E | J | -0.2772 | |
| 152 | H | J | 0.0000 | |
| 153 | E | J | -0.9512 | |
| 154 | A | J | -0.5527 | |
| 155 | W | J | 0.0000 | |
| 156 | F | J | 0.0000 | |
| 157 | S | J | -0.6910 | |
| 158 | E | J | 0.0000 | |
| 159 | F | J | 0.0000 | |
| 160 | L | J | -0.5008 | |
| 161 | G | J | -0.9757 | |
| 162 | E | J | -1.9878 | |
| 163 | G | J | -1.3700 | |
| 164 | P | J | -1.1538 | |
| 165 | S | J | 0.0000 | |
| 166 | G | J | -0.2321 | |
| 167 | H | J | -0.0799 | |
| 168 | I | J | -0.0981 | |
| 169 | R | J | -0.7295 | |
| 170 | R | J | -0.9905 | |
| 171 | G | J | -0.9529 | |
| 172 | S | J | -1.3386 | |
| 173 | P | J | -1.1264 | |
| 174 | G | J | -1.1557 | |
| 175 | E | J | -2.1140 | |
| 176 | S | J | 0.0000 | |
| 177 | P | J | -0.5360 | |
| 178 | Y | J | 0.0000 | |
| 179 | T | J | 0.0000 | |
| 180 | S | J | -0.2623 | |
| 181 | R | J | 0.0185 | |
| 182 | F | J | 0.4601 | |
| 183 | L | J | 1.0363 | |
| 184 | V | J | 1.6132 | |
| 14 | V | K | 0.5463 | |
| 15 | N | K | -0.9651 | |
| 16 | T | K | -1.5871 | |
| 17 | E | K | -3.1681 | |
| 18 | E | K | -3.2936 | |
| 19 | L | K | 0.0000 | |
| 20 | V | K | -2.5253 | |
| 21 | K | K | -3.3504 | |
| 22 | K | K | -2.5790 | |
| 23 | L | K | 0.0000 | |
| 24 | V | K | 0.0000 | |
| 25 | R | K | -2.1240 | |
| 26 | A | K | 0.0000 | |
| 27 | A | K | 0.0000 | |
| 28 | A | K | 0.0000 | |
| 29 | A | K | -0.6751 | |
| 30 | E | K | 0.0000 | |
| 31 | F | K | 0.0000 | |
| 32 | T | K | 0.0000 | |
| 33 | T | K | -0.2164 | |
| 34 | Y | K | 0.0000 | |
| 35 | Y | K | 0.0000 | |
| 36 | Y | K | 0.0000 | |
| 37 | Y | K | 0.0000 | |
| 38 | T | K | 0.0000 | |
| 39 | I | K | 0.0000 | |
| 40 | L | K | 0.0000 | |
| 41 | R | K | 0.0000 | |
| 42 | V | K | 0.0000 | |
| 43 | N | K | -0.9924 | |
| 44 | A | K | 0.0000 | |
| 45 | I | K | -1.0654 | |
| 46 | G | K | -0.9563 | |
| 47 | F | K | -0.9152 | |
| 48 | E | K | -1.9710 | |
| 49 | G | K | 0.0000 | |
| 50 | E | K | 0.0000 | |
| 51 | G | K | -0.8804 | |
| 52 | L | K | 0.0000 | |
| 53 | K | K | 0.0000 | |
| 54 | E | K | -0.7293 | |
| 55 | I | K | 0.0000 | |
| 56 | I | K | 0.0000 | |
| 57 | E | K | 0.0000 | |
| 58 | D | K | -0.7683 | |
| 59 | A | K | 0.0000 | |
| 60 | R | K | 0.0000 | |
| 61 | L | K | -0.2878 | |
| 62 | E | K | 0.0000 | |
| 63 | D | K | 0.0000 | |
| 64 | R | K | -0.3624 | |
| 65 | N | K | -0.5482 | |
| 66 | H | K | 0.0000 | |
| 67 | F | K | 0.0000 | |
| 68 | E | K | -0.1300 | |
| 69 | A | K | 0.0000 | |
| 70 | L | K | 0.0000 | |
| 71 | V | K | 0.0000 | |
| 72 | P | K | -0.3719 | |
| 73 | R | K | 0.0000 | |
| 74 | I | K | 0.0000 | |
| 75 | Y | K | 0.0000 | |
| 76 | E | K | -0.6837 | |
| 77 | L | K | -0.5190 | |
| 78 | G | K | -1.1334 | |
| 79 | G | K | -1.6332 | |
| 80 | E | K | -2.1958 | |
| 81 | L | K | 0.0000 | |
| 82 | P | K | -2.0416 | |
| 83 | R | K | -2.4453 | |
| 84 | D | K | -1.9128 | |
| 85 | I | K | 0.0000 | |
| 86 | R | K | -2.7824 | |
| 87 | D | K | -3.2303 | |
| 88 | F | K | 0.0000 | |
| 89 | A | K | -2.0920 | |
| 90 | N | K | -2.7664 | |
| 91 | D | K | -2.6439 | |
| 92 | A | K | -1.5793 | |
| 93 | A | K | -0.8510 | |
| 94 | C | K | -0.6906 | |
| 95 | P | K | -0.8806 | |
| 96 | D | K | -0.8076 | |
| 97 | A | K | -0.6215 | |
| 98 | Y | K | -0.3566 | |
| 99 | L | K | -0.7379 | |
| 100 | P | K | -1.3739 | |
| 101 | Q | K | -2.1545 | |
| 102 | N | K | -2.8593 | |
| 103 | P | K | -2.3507 | |
| 104 | R | K | -3.2774 | |
| 105 | D | K | -2.7569 | |
| 106 | V | K | -1.9494 | |
| 107 | K | K | -2.0094 | |
| 108 | E | K | -2.2680 | |
| 109 | M | K | 0.0000 | |
| 110 | L | K | 0.0000 | |
| 111 | K | K | -1.6870 | |
| 112 | V | K | -1.0436 | |
| 113 | L | K | 0.0000 | |
| 114 | V | K | 0.0000 | |
| 115 | E | K | -2.3372 | |
| 116 | A | K | -1.3664 | |
| 117 | E | K | 0.0000 | |
| 118 | R | K | -1.9040 | |
| 119 | C | K | -1.2652 | |
| 120 | A | K | -0.8314 | |
| 121 | I | K | -1.1161 | |
| 122 | R | K | -2.2644 | |
| 123 | V | K | -1.4334 | |
| 124 | Y | K | 0.0000 | |
| 125 | T | K | -1.6609 | |
| 126 | D | K | -2.6191 | |
| 127 | I | K | 0.0000 | |
| 128 | C | K | 0.0000 | |
| 129 | N | K | -1.8570 | |
| 130 | M | K | -0.8080 | |
| 131 | T | K | 0.0000 | |
| 132 | F | K | -0.6638 | |
| 133 | G | K | -1.3179 | |
| 134 | K | K | -1.6167 | |
| 135 | D | K | -0.8214 | |
| 136 | H | K | -0.7039 | |
| 137 | R | K | 0.0000 | |
| 138 | T | K | 0.0000 | |
| 139 | Y | K | -0.3290 | |
| 140 | E | K | -0.0339 | |
| 141 | L | K | 0.0000 | |
| 142 | S | K | 0.0000 | |
| 143 | L | K | 0.1435 | |
| 144 | A | K | 0.0000 | |
| 145 | I | K | 0.0000 | |
| 146 | L | K | 0.0000 | |
| 147 | N | K | 0.0000 | |
| 148 | E | K | 0.0000 | |
| 149 | E | K | 0.0000 | |
| 150 | I | K | -0.0537 | |
| 151 | E | K | -0.2793 | |
| 152 | H | K | 0.0000 | |
| 153 | E | K | -0.9610 | |
| 154 | A | K | -0.5496 | |
| 155 | W | K | 0.0000 | |
| 156 | F | K | 0.0000 | |
| 157 | S | K | -0.6776 | |
| 158 | E | K | 0.0000 | |
| 159 | F | K | 0.0000 | |
| 160 | L | K | -0.5246 | |
| 161 | G | K | -0.9248 | |
| 162 | E | K | -1.9735 | |
| 163 | G | K | -1.3667 | |
| 164 | P | K | -1.1144 | |
| 165 | S | K | 0.0000 | |
| 166 | G | K | 0.0000 | |
| 167 | H | K | -0.0168 | |
| 168 | I | K | -0.0187 | |
| 169 | R | K | -0.6371 | |
| 170 | R | K | -0.9231 | |
| 171 | G | K | -0.9758 | |
| 172 | S | K | -1.3330 | |
| 173 | P | K | -1.1525 | |
| 174 | G | K | -1.2157 | |
| 175 | E | K | -2.1493 | |
| 176 | S | K | 0.0000 | |
| 177 | P | K | -0.6111 | |
| 178 | Y | K | 0.0000 | |
| 179 | T | K | 0.0000 | |
| 180 | S | K | -0.2918 | |
| 181 | R | K | 0.0030 | |
| 182 | F | K | 0.4635 | |
| 183 | L | K | 1.0406 | |
| 184 | V | K | 1.6229 | |
| 14 | V | L | 0.5437 | |
| 15 | N | L | -0.9725 | |
| 16 | T | L | -1.5948 | |
| 17 | E | L | -3.1754 | |
| 18 | E | L | -3.2986 | |
| 19 | L | L | 0.0000 | |
| 20 | V | L | -2.4405 | |
| 21 | K | L | -3.2970 | |
| 22 | K | L | -2.5344 | |
| 23 | L | L | 0.0000 | |
| 24 | V | L | -1.4431 | |
| 25 | R | L | -2.0404 | |
| 26 | A | L | 0.0000 | |
| 27 | A | L | 0.0000 | |
| 28 | A | L | 0.0000 | |
| 29 | A | L | -0.6523 | |
| 30 | E | L | 0.0000 | |
| 31 | F | L | 0.0000 | |
| 32 | T | L | 0.0000 | |
| 33 | T | L | -0.2318 | |
| 34 | Y | L | 0.0000 | |
| 35 | Y | L | 0.0000 | |
| 36 | Y | L | 0.0000 | |
| 37 | Y | L | 0.0000 | |
| 38 | T | L | -0.0292 | |
| 39 | I | L | -0.2387 | |
| 40 | L | L | 0.0000 | |
| 41 | R | L | -0.2421 | |
| 42 | V | L | 0.0000 | |
| 43 | N | L | -0.8861 | |
| 44 | A | L | 0.0000 | |
| 45 | I | L | -1.0462 | |
| 46 | G | L | -0.9142 | |
| 47 | F | L | -0.8239 | |
| 48 | E | L | -1.9575 | |
| 49 | G | L | 0.0000 | |
| 50 | E | L | 0.0000 | |
| 51 | G | L | -0.8471 | |
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| 55 | I | L | 0.0000 | |
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| 59 | A | L | 0.0000 | |
| 60 | R | L | 0.0000 | |
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| 63 | D | L | 0.0000 | |
| 64 | R | L | -0.3728 | |
| 65 | N | L | -0.5058 | |
| 66 | H | L | 0.0000 | |
| 67 | F | L | 0.0000 | |
| 68 | E | L | -0.1038 | |
| 69 | A | L | 0.0000 | |
| 70 | L | L | 0.0000 | |
| 71 | V | L | 0.0000 | |
| 72 | P | L | -0.2772 | |
| 73 | R | L | 0.0000 | |
| 74 | I | L | 0.0000 | |
| 75 | Y | L | 0.0000 | |
| 76 | E | L | -0.6030 | |
| 77 | L | L | -0.4430 | |
| 78 | G | L | -1.0329 | |
| 79 | G | L | -1.4067 | |
| 80 | E | L | -1.7539 | |
| 81 | L | L | 0.0000 | |
| 82 | P | L | -1.9571 | |
| 83 | R | L | -2.4602 | |
| 84 | D | L | -2.0854 | |
| 85 | I | L | 0.0000 | |
| 86 | R | L | -3.0027 | |
| 87 | D | L | -3.3464 | |
| 88 | F | L | 0.0000 | |
| 89 | A | L | -2.1682 | |
| 90 | N | L | -2.8055 | |
| 91 | D | L | -2.6055 | |
| 92 | A | L | -1.5431 | |
| 93 | A | L | -0.8290 | |
| 94 | C | L | -0.6952 | |
| 95 | P | L | -0.8903 | |
| 96 | D | L | -0.8300 | |
| 97 | A | L | -0.3562 | |
| 98 | Y | L | -0.2033 | |
| 99 | L | L | -0.5518 | |
| 100 | P | L | -1.2736 | |
| 101 | Q | L | -2.0707 | |
| 102 | N | L | -2.7081 | |
| 103 | P | L | -2.2335 | |
| 104 | R | L | -3.1395 | |
| 105 | D | L | -2.5982 | |
| 106 | V | L | -1.8253 | |
| 107 | K | L | -1.8084 | |
| 108 | E | L | -2.0693 | |
| 109 | M | L | 0.0000 | |
| 110 | L | L | 0.0000 | |
| 111 | K | L | -1.6514 | |
| 112 | V | L | -1.0051 | |
| 113 | L | L | 0.0000 | |
| 114 | V | L | 0.0000 | |
| 115 | E | L | -2.3368 | |
| 116 | A | L | -1.3727 | |
| 117 | E | L | 0.0000 | |
| 118 | R | L | -1.9014 | |
| 119 | C | L | -1.2752 | |
| 120 | A | L | -0.8535 | |
| 121 | I | L | -1.1606 | |
| 122 | R | L | -2.2781 | |
| 123 | V | L | -1.4434 | |
| 124 | Y | L | 0.0000 | |
| 125 | T | L | -1.6951 | |
| 126 | D | L | -2.6197 | |
| 127 | I | L | 0.0000 | |
| 128 | C | L | 0.0000 | |
| 129 | N | L | -1.8890 | |
| 130 | M | L | -0.7894 | |
| 131 | T | L | 0.0000 | |
| 132 | F | L | -0.5756 | |
| 133 | G | L | -1.1629 | |
| 134 | K | L | -1.5589 | |
| 135 | D | L | -0.7312 | |
| 136 | H | L | -0.7052 | |
| 137 | R | L | 0.0000 | |
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| 139 | Y | L | -0.2220 | |
| 140 | E | L | 0.0000 | |
| 141 | L | L | 0.0000 | |
| 142 | S | L | 0.0000 | |
| 143 | L | L | 0.1793 | |
| 144 | A | L | 0.0000 | |
| 145 | I | L | 0.0000 | |
| 146 | L | L | 0.0000 | |
| 147 | N | L | 0.0000 | |
| 148 | E | L | 0.0000 | |
| 149 | E | L | 0.0000 | |
| 150 | I | L | -0.1258 | |
| 151 | E | L | -0.2810 | |
| 152 | H | L | 0.0000 | |
| 153 | E | L | -0.9804 | |
| 154 | A | L | -0.5370 | |
| 155 | W | L | 0.0000 | |
| 156 | F | L | 0.0000 | |
| 157 | S | L | -0.6385 | |
| 158 | E | L | 0.0000 | |
| 159 | F | L | 0.0000 | |
| 160 | L | L | -0.4498 | |
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| 162 | E | L | -1.8754 | |
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| 164 | P | L | -1.0577 | |
| 165 | S | L | 0.0000 | |
| 166 | G | L | 0.0000 | |
| 167 | H | L | -0.0087 | |
| 168 | I | L | -0.0179 | |
| 169 | R | L | -0.6417 | |
| 170 | R | L | -0.8373 | |
| 171 | G | L | -0.9186 | |
| 172 | S | L | -1.3010 | |
| 173 | P | L | -1.0855 | |
| 174 | G | L | -1.1264 | |
| 175 | E | L | -2.0876 | |
| 176 | S | L | 0.0000 | |
| 177 | P | L | -0.5272 | |
| 178 | Y | L | 0.0000 | |
| 179 | T | L | 0.0000 | |
| 180 | S | L | -0.2674 | |
| 181 | R | L | 0.0534 | |
| 182 | F | L | 0.4892 | |
| 183 | L | L | 1.0352 | |
| 184 | V | L | 1.5970 |
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 | -0.5664 | 2.1681 | View | CSV | PDB |
| 4.5 | -0.6284 | 2.1192 | View | CSV | PDB |
| 5.0 | -0.708 | 2.0311 | View | CSV | PDB |
| 5.5 | -0.7929 | 1.9099 | View | CSV | PDB |
| 6.0 | -0.8699 | 1.773 | View | CSV | PDB |
| 6.5 | -0.9272 | 1.6266 | View | CSV | PDB |
| 7.0 | -0.9608 | 1.5103 | View | CSV | PDB |
| 7.5 | -0.9766 | 1.4114 | View | CSV | PDB |
| 8.0 | -0.9824 | 1.3188 | View | CSV | PDB |
| 8.5 | -0.9815 | 1.3015 | View | CSV | PDB |
| 9.0 | -0.9735 | 1.3014 | 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