| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.3 | Very low | 30.5 | Very low | 239 Ų | 239 | 163.5 Ų | 163.5 | 100% | 1.177 | 84% | 0.842 | S | S | * | * | 0 | 132.6 | 0 | -67.9 | 176.6 | 178.4 | 0 | 0 | 108 | |||||
| 2 | E | 29.9 | Very low | 30.3 | Very low | 181 Ų | 181 | 164.5 Ų | 164.5 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | trans | -76.5 | 120.5 | 166.7 | -68.9 | -177.2 | 128.1 | 0 | 0 | 108.8 | ||||
| 3 | V | 34.4 | Very low | 30.1 | Very low | 138 Ų | 138 | 160 Ų | 160 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | trans | -109.1 | 107.4 | 160.2 | 179.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 4 | Q | 31.2 | Very low | 30.2 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 76% | 0.757 | 83% | 0.832 | S | S | * | * | trans | -66.2 | 144.2 | -174.1 | -68 | 173 | -18.1 | 0 | 0 | 111.6 | I6 | Q4-I6 PolarHBondContact O-N 2.72Å; Q4-I6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | C | 29.5 | Very low | 30 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -62.9 | 111.4 | 171.7 | -63 | 0 | 0 | 0 | 0 | 110.9 | S7 | C5-S7 VanDerWaalsContact C-N 3.27Å; C5-S7 PolarHBondContact O-N 3.32Å | ||
| 6 | I | 30.9 | Very low | 29.6 | Very low | 176 Ų | 176 | 157.4 Ų | 157.4 | 90% | 0.903 | 83% | 0.825 | S | S | * | * | trans | -69.7 | 92.1 | 161.9 | -62 | 178.6 | 0 | 0 | 0 | 107.7 | Q4 | Q4-I6 PolarHBondContact O-N 2.72Å; Q4-I6 VanDerWaalsContact O-N 3.11Å | ||
| 7 | S | 27.7 | Very low | 29.5 | Very low | 77 Ų | 77 | 155.1 Ų | 155.1 | 54% | 0.538 | 82% | 0.824 | S | S | . | * | trans | -83.4 | 153.9 | 171.2 | 74.4 | 0 | 0 | 0 | 0 | 111.1 | C5 | C5-S7 VanDerWaalsContact C-N 3.27Å; C5-S7 PolarHBondContact O-N 3.32Å | ||
| 8 | K | 28.4 | Very low | 29.3 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | trans | 71.6 | 89.2 | 165 | -52.3 | 162.2 | -173.5 | 170.7 | 0 | 116.2 | ||||
| 9 | N | 31.6 | Very low | 29.1 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -111.9 | 105.3 | 135.3 | -103.2 | -25.8 | 0 | 0 | 0 | 109.5 | L11 | N9-L11 VanDerWaalsContact C-N 3.35Å; N9-L11 PolarHBondContact O-N 3.37Å | ||
| 10 | K | 27.1 | Very low | 29.1 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -73.5 | 86.1 | 171.1 | -73.3 | 179.2 | 172.6 | -178.2 | 0 | 108.7 | K12 | K10-K12 PolarHBondContact O-N 2.58Š| ||
| 11 | L | 30.2 | Very low | 29 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | trans | -74.8 | 118.1 | 164.1 | -81.9 | 168.7 | 0 | 0 | 0 | 108.7 | N9 A13 | N9-L11 VanDerWaalsContact C-N 3.35Å; N9-L11 PolarHBondContact O-N 3.37Å; L11-A13 PolarHBondContact O-N 2.63Å | ||
| 12 | K | 28.2 | Very low | 28.6 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | -66.7 | 129.5 | -177 | -65.2 | 173.9 | 178.2 | 177 | 0 | 109.2 | K10 N14 | K10-K12 PolarHBondContact O-N 2.58Å; K12-N14 VanDerWaalsContact C-N 3.25Å; K12-N14 PolarHBondContact O-N 3.17Å | ||
| 13 | A | 27.3 | Very low | 28.4 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -69.2 | 87.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | L11 G15 | L11-A13 PolarHBondContact O-N 2.63Å; A13-G15 PolarHBondContact O-N 3.42Å | ||
| 14 | N | 31.8 | Very low | 28.1 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -75.8 | 117.8 | 167.6 | -73.3 | -4 | 0 | 0 | 0 | 107.7 | K12 W16 | K12-N14 VanDerWaalsContact C-N 3.25Å; K12-N14 PolarHBondContact O-N 3.17Å; N14-W16 PolarHBondContact O-N 2.92Å | ||
| 15 | G | 26.8 | Very low | 27.8 | Very low | 64 Ų | 64 | 147.3 Ų | 147.3 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | -65.6 | 124.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A13 | A13-G15 PolarHBondContact O-N 3.42Š| ||
| 16 | W | 24.9 | Very low | 27.8 | Very low | 235 Ų | 235 | 149.5 Ų | 149.5 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | 27.4 | 100.6 | 128.5 | -66 | 55.5 | 0 | 0 | 0 | 115.8 | N14 T18 | N14-W16 PolarHBondContact O-N 2.92Å; W16-T18 HydrophobicContact CE3-CG2 4.33Å | |||
| 17 | S | 26.9 | Very low | 27.6 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -114 | 71.6 | 159.9 | 67.1 | 0 | 0 | 0 | 0 | 110.3 | K19 | S17-K19 PolarHBondContact O-N 3.11Å; S17-K19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | T | 25.9 | Very low | 27.6 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | trans | -72.2 | 96.7 | 168.7 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | W16 | W16-T18 HydrophobicContact CE3-CG2 4.33Š| ||
| 19 | K | 26.4 | Very low | 27.5 | Very low | 186 Ų | 186 | 147.6 Ų | 147.6 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | trans | -106.5 | 107.4 | 162.9 | -80.5 | -163.4 | 173.8 | -171.1 | 0 | 109.4 | S17 | S17-K19 PolarHBondContact O-N 3.11Å; S17-K19 VanDerWaalsContact O-N 3.13Å | ||
| 20 | P | 28.6 | Very low | 27.2 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -74.6 | 122.2 | 168.4 | 30.1 | -30.7 | 0 | 0 | 0 | 109 | ||||
| 21 | C | 26.3 | Very low | 27 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -94.5 | 104.9 | 173.7 | -65.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 22 | H | 26.1 | Very low | 26.6 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | -84.9 | 139.2 | 167.1 | -114.2 | -78.5 | 0 | 0 | 0 | 110.4 | ||||
| 23 | Y | 27.1 | Very low | 26.6 | Very low | 206 Ų | 206 | 144 Ų | 144 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -61.1 | 158.6 | 169.4 | -98.4 | -104.9 | 0 | 0 | 0 | 111.9 | ||||
| 24 | P | 27.5 | Very low | 26.5 | Very low | 71 Ų | 71 | 146 Ų | 146 | 46% | 0.461 | 76% | 0.764 | S | S | . | * | -127.7 | 159.4 | 116.9 | 36.7 | -31.1 | 0 | 0 | 0 | 113.8 | T1395 | P24-T1395 WeakPolarHBondContact CB-OG1 3.43Š| |||
| 25 | Y | 25.7 | Very low | 26.2 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 67% | 0.667 | 77% | 0.771 | S | S | * | * | trans | -64.5 | 148.2 | -178.4 | -94.9 | -116.2 | 0 | 0 | 0 | 114 | D27 | Y25-D27 VanDerWaalsContact CD1-OD2 3.31Å; Y25-D27 WeakPolarHBondContact CD1-OD2 3.35Å | ||
| 26 | L | 29.4 | Very low | 26 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -124.6 | 95.9 | 159.4 | -97.8 | 161.1 | 0 | 0 | 0 | 107.7 | ||||
| 27 | D | 25.7 | Very low | 25.9 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -107.1 | 118.4 | 165.6 | -84 | -40.2 | 0 | 0 | 0 | 108.6 | Y25 | Y25-D27 VanDerWaalsContact CD1-OD2 3.31Å; Y25-D27 WeakPolarHBondContact CD1-OD2 3.35Å | ||
| 28 | S | 28.1 | Very low | 25.9 | Very low | 97 Ų | 97 | 149 Ų | 149 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -163.9 | 118.5 | 159.9 | 61.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 29 | D | 25.7 | Very low | 25.8 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | 28.7 | 127.3 | 149.2 | -49.5 | -34 | 0 | 0 | 0 | 118.3 | ||||
| 30 | S | 25 | Very low | 25.7 | Very low | 122 Ų | 122 | 151 Ų | 151 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | -179.1 | 167.4 | 74.8 | 39.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 31 | I | 22.5 | Very low | 25.5 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -98.4 | 150.8 | -165.6 | -70.1 | 159.9 | 0 | 0 | 0 | 111.9 | ||||
| 32 | N | 22.7 | Very low | 25.5 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | trans | 63.5 | 123.9 | 164.7 | -81.4 | -27.4 | 0 | 0 | 0 | 118.4 | ||||
| 33 | Y | 28 | Very low | 25.4 | Very low | 225 Ų | 225 | 150.7 Ų | 150.7 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | -151.9 | 145.3 | 102.3 | -106.6 | -74.4 | 0 | 0 | 0 | 112.2 | |||||
| 34 | H | 24.6 | Very low | 25.2 | Very low | 146 Ų | 146 | 152 Ų | 152 | 68% | 0.676 | 78% | 0.78 | S | S | * | * | trans | -47.4 | 143.1 | 171.8 | -81 | -107.7 | 0 | 0 | 0 | 114.1 | ||||
| 35 | C | 25.8 | Very low | 25.2 | Very low | 133 Ų | 133 | 154.9 Ų | 154.9 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | trans | -138.5 | 133.7 | 136.7 | -91.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 36 | N | 23.8 | Very low | 25.1 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -82.9 | 154.1 | -168.2 | -81.7 | -36.6 | 0 | 0 | 0 | 113.9 | ||||
| 37 | L | 22.7 | Very low | 24.9 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -46.5 | 139.1 | 156.4 | -96.9 | 69 | 0 | 0 | 0 | 112.8 | ||||
| 38 | K | 26.6 | Very low | 24.8 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | trans | -143.7 | 122.7 | 131 | -73.3 | -157.1 | 175.1 | -175.1 | 0 | 106.7 | ||||
| 39 | Q | 23.8 | Very low | 24.6 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | 54.6 | 122.7 | 94.5 | -61.2 | 172.1 | -45.8 | 0 | 0 | 110.7 | |||||
| 40 | E | 24.8 | Very low | 24.6 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | cis | -145.6 | 135.6 | 30.6 | -65.2 | 167 | 151.5 | 0 | 0 | 109 | ||||
| 41 | T | 24.3 | Very low | 24.7 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | 50.2 | 94 | 74.1 | 59.9 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 42 | S | 25.1 | Very low | 24.7 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | -178.9 | 102.7 | 128.8 | 36.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 43 | Q | 24.5 | Very low | 24.8 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | 31.9 | 112.8 | 129 | -68.8 | 180 | -24.2 | 0 | 0 | 120.7 | |||||
| 44 | Y | 23.5 | Very low | 24.8 | Very low | 232 Ų | 232 | 149.5 Ų | 149.5 | 91% | 0.91 | 78% | 0.784 | S | S | * | * | trans | -127.1 | 126.8 | 130.2 | -98.6 | -90.3 | 0 | 0 | 0 | 108.7 | ||||
| 45 | N | 27.4 | Very low | 24.7 | Very low | 132 Ų | 132 | 149.2 Ų | 149.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -146.5 | 113.3 | 175.3 | -121.3 | -2.7 | 0 | 0 | 0 | 109.5 | ||||
| 46 | L | 23.6 | Very low | 24.6 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 62% | 0.623 | 77% | 0.773 | S | S | * | * | trans | -150.5 | 113 | 155.7 | -92.4 | 111 | 0 | 0 | 0 | 105.8 | S1663 | L46-S1663 WeakPolarHBondContact CD1-OG 3.46Š| ||
| 47 | L | 25.5 | Very low | 24.8 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 55% | 0.545 | 78% | 0.775 | S | S | . | * | 73.2 | 99 | 79.1 | -81.7 | 169 | 0 | 0 | 0 | 114.1 | Y1666 | L47-Y1666 HydrophobicContact CD1-CE2 4.17Å; L47-Y1666 WeakPolarHBondContact CD2-OH 3.08Å; L47-Y1666 WeakPolarHBondContact CG-OH 3.31Å | |||
| 48 | N | 22.5 | Very low | 24.8 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | -144.3 | 110.4 | 135.5 | -96.6 | -17.8 | 0 | 0 | 0 | 105.4 | ||||
| 49 | T | 23.5 | Very low | 24.7 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | 60.7 | 84.4 | 82.9 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 50 | N | 25.9 | Very low | 24.7 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 94% | 0.936 | 77% | 0.77 | S | S | * | * | trans | -146.3 | 140.8 | 156.4 | -93.1 | -26.3 | 0 | 0 | 0 | 107.1 | ||||
| 51 | G | 27 | Very low | 24.7 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | 111.1 | 76.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 52 | I | 23.2 | Very low | 24.5 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -100.9 | 126.2 | 159.9 | -92.7 | 175.1 | 0 | 0 | 0 | 107.8 | ||||
| 53 | H | 24.3 | Very low | 24.5 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 44.4 | 87.5 | 158.7 | -72 | -94.9 | 0 | 0 | 0 | 118.5 | ||||
| 54 | Q | 27.5 | Very low | 24.5 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | -73.9 | 133 | 125.6 | -85.9 | -79.3 | -5 | 0 | 0 | 107.5 | |||||
| 55 | N | 22.9 | Very low | 24.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -133.1 | 94.6 | 178.2 | 178.6 | 36.1 | 0 | 0 | 0 | 109.2 | ||||
| 56 | S | 23.5 | Very low | 24.6 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | trans | -166.2 | 135 | 159.1 | 59.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 57 | N | 28.2 | Very low | 24.5 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | 77.2 | 61.2 | 154.3 | -51.8 | -11.2 | 0 | 0 | 0 | 116.3 | ||||
| 58 | D | 23.9 | Very low | 24.5 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -35.6 | 138.8 | 134.6 | -88.2 | -44 | 0 | 0 | 0 | 113.8 | ||||
| 59 | I | 23.6 | Very low | 24.5 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 61% | 0.605 | 78% | 0.778 | S | S | * | * | trans | 67.5 | 65.9 | 132.4 | -60 | 166.1 | 0 | 0 | 0 | 115.8 | T61 | I59-T61 VanDerWaalsContact CG2-OG1 3.31Å; I59-T61 WeakPolarHBondContact CG2-OG1 3.13Å; I59-T61 PolarHBondContact O-N 2.65Å; I59-T61 VanDerWaalsContact O-N 3.14Å | ||
| 60 | S | 23.1 | Very low | 24.5 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -75.9 | 57 | 136.2 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 61 | T | 25.7 | Very low | 24.3 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | trans | -134.9 | 72.8 | 173.5 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | I59 | I59-T61 VanDerWaalsContact CG2-OG1 3.31Å; I59-T61 WeakPolarHBondContact CG2-OG1 3.13Å; I59-T61 PolarHBondContact O-N 2.65Å; I59-T61 VanDerWaalsContact O-N 3.14Å | ||
| 62 | M | 21.1 | Very low | 24.1 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 86% | 0.862 | 78% | 0.775 | S | S | * | * | trans | -125.2 | 89.7 | 153.5 | -105.9 | -70.3 | 165.2 | 0 | 0 | 108.4 | ||||
| 63 | L | 24 | Very low | 24.1 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | 151.1 | 89.3 | 132.3 | -77.8 | 168.9 | 0 | 0 | 0 | 111.1 | ||||
| 64 | T | 25.2 | Very low | 24.1 | Very low | 119 Ų | 119 | 144 Ų | 144 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | -46.5 | 132.2 | 155 | 17.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 65 | N | 23.4 | Very low | 24 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 49.9 | 95.5 | 137.9 | -58.7 | -18.6 | 0 | 0 | 0 | 118.6 | ||||
| 66 | H | 29.2 | Very low | 24 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -122.3 | 101.3 | 133.6 | -96.6 | -72.4 | 0 | 0 | 0 | 110.5 | Y68 | H66-Y68 PolarHBondContact O-N 3.11Š| ||
| 67 | S | 22.2 | Very low | 24 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -77.4 | 111 | 168.8 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 68 | Y | 24.2 | Very low | 23.7 | Very low | 220 Ų | 220 | 145 Ų | 145 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | trans | -126.9 | 152.6 | 157.1 | -96.6 | -81.1 | 0 | 0 | 0 | 111.1 | H66 | H66-Y68 PolarHBondContact O-N 3.11Š| ||
| 69 | I | 24 | Very low | 23.7 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -96.1 | 135.9 | -151.8 | -76.9 | 165.6 | 0 | 0 | 0 | 112.2 | ||||
| 70 | K | 22.1 | Very low | 23.7 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 29.5 | 134.9 | 150.6 | -64.3 | 180 | 171.9 | -179.7 | 0 | 120.8 | ||||
| 71 | S | 22.1 | Very low | 23.8 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | 64.5 | 110.3 | 135.4 | 64.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 72 | N | 23.7 | Very low | 23.9 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | -139.3 | 133.6 | 110.5 | -89.8 | -41.5 | 0 | 0 | 0 | 109.9 | |||||
| 73 | L | 22.4 | Very low | 24.1 | Very low | 162 Ų | 162 | 144 Ų | 144 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -91.2 | 131.2 | 170.7 | -77.7 | 116 | 0 | 0 | 0 | 109.3 | ||||
| 74 | S | 24.5 | Very low | 24.1 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | 162.4 | 146.8 | 123.6 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 75 | P | 24.5 | Very low | 24.1 | Very low | 130 Ų | 130 | 148 Ų | 148 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | trans | -84.4 | 147.6 | -171.9 | 34.2 | -34.6 | 0 | 0 | 0 | 111.8 | ||||
| 76 | I | 22.5 | Very low | 24.2 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -127.6 | 112.5 | 175.8 | -66.2 | -179.1 | 0 | 0 | 0 | 110.2 | ||||
| 77 | N | 25.1 | Very low | 24.4 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | 51.1 | 108.3 | 147.9 | -56.5 | -2.7 | 0 | 0 | 0 | 120.9 | S79 | N77-S79 PolarHBondContact O-N 3.31Š| ||
| 78 | D | 21.8 | Very low | 24.6 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 94% | 0.941 | 80% | 0.802 | S | S | * | * | trans | -64.9 | 108.6 | 137.4 | -62.2 | -57.7 | 0 | 0 | 0 | 109.8 | ||||
| 79 | S | 23.4 | Very low | 24.5 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -162.9 | 91.2 | 164.3 | 62.8 | 0 | 0 | 0 | 0 | 113 | N77 | N77-S79 PolarHBondContact O-N 3.31Š| ||
| 80 | C | 23.7 | Very low | 24.8 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | -138.2 | 77.6 | 165.3 | -80.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 81 | I | 24.7 | Very low | 24.9 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -107.9 | 140.4 | 157.6 | -68.1 | 178.5 | 0 | 0 | 0 | 107.4 | ||||
| 82 | S | 27.9 | Very low | 25.2 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -73.4 | 132.6 | -168.5 | 50.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 83 | N | 25.5 | Very low | 25.3 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | 47.6 | 96.9 | 139.9 | -60.2 | -0.7 | 0 | 0 | 0 | 119.6 | ||||
| 84 | E | 23.4 | Very low | 25.4 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | 15.5 | 108.4 | 120.2 | -57.1 | -174.9 | 155.2 | 0 | 0 | 118.5 | |||||
| 85 | I | 26.4 | Very low | 25.4 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | -135.5 | 134.3 | 122.9 | -60 | -172.8 | 0 | 0 | 0 | 107.7 | |||||
| 86 | S | 24.5 | Very low | 25.3 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -123.2 | -171.5 | -176.1 | 60.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 87 | P | 33.9 | Very low | 25.7 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | -128.7 | 153.5 | -58.8 | 33.1 | -18.5 | 0 | 0 | 0 | 112.1 | |||||
| 88 | T | 27.2 | Very low | 25.7 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | trans | -138.9 | 134.3 | 155.3 | 41.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 89 | Q | 22.3 | Very low | 25.8 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -74.4 | 146.3 | 175.8 | -62 | 169 | -20.5 | 0 | 0 | 110.4 | ||||
| 90 | N | 29.4 | Very low | 26.2 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | -164.3 | 131.1 | 118.9 | -100.7 | -31.6 | 0 | 0 | 0 | 111.6 | |||||
| 91 | S | 23.1 | Very low | 26.5 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -70 | 149.6 | 164.6 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 92 | N | 29 | Very low | 26.8 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | -167.2 | 161.1 | 116.6 | -93.7 | -27.9 | 0 | 0 | 0 | 113.1 | |||||
| 93 | H | 25 | Very low | 26.9 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | -93.3 | 151.9 | -161.7 | -99.7 | -65 | 0 | 0 | 0 | 114.9 | ||||
| 94 | S | 24.7 | Very low | 27.5 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | 87.2 | 150.8 | 132.1 | 74.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 95 | N | 24.7 | Very low | 27.8 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 82.7 | 92.6 | 151.1 | -64.7 | -17.3 | 0 | 0 | 0 | 119.7 | ||||
| 96 | N | 23.8 | Very low | 28.2 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | 16.4 | 116.1 | 111.7 | -68.5 | -10.6 | 0 | 0 | 0 | 116.4 | |||||
| 97 | N | 29.8 | Very low | 28.7 | Very low | 157 Ų | 157 | 146 Ų | 146 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -160.4 | 110.1 | 134.1 | -101.4 | -26.7 | 0 | 0 | 0 | 112.7 | ||||
| 98 | K | 25 | Very low | 28.7 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | 22.3 | 130.8 | 128.4 | -80.1 | -170.9 | 172.3 | -176.9 | 0 | 120.9 | |||||
| 99 | N | 25.1 | Very low | 29 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | 69.4 | 120.6 | 137 | -49.9 | 6.2 | 0 | 0 | 0 | 119.1 | ||||
| 100 | N | 31.4 | Very low | 29.7 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | 169.5 | 117.9 | 105.3 | -83.2 | -3.8 | 0 | 0 | 0 | 109.3 | |||||
| 101 | D | 28.8 | Very low | 30 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | 55.9 | 151.5 | 119.1 | -43.6 | -25.5 | 0 | 0 | 0 | 122.9 | |||||
| 102 | D | 32 | Very low | 30.7 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 85 | 92.3 | 159.3 | -53.3 | -18 | 0 | 0 | 0 | 120.1 | ||||
| 103 | D | 30.7 | Very low | 30.9 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | 56.3 | 103 | 120 | -55.2 | -9.6 | 0 | 0 | 0 | 120.3 | |||||
| 104 | N | 38.1 | Very low | 31.3 | Very low | 172 Ų | 172 | 145 Ų | 145 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | trans | -143.7 | 93.4 | 137.2 | -73.3 | -87.7 | 0 | 0 | 0 | 108.5 | ||||
| 105 | E | 29 | Very low | 32 | Very low | 180 Ų | 180 | 151 Ų | 151 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -79.3 | 138.1 | 154.8 | -65.5 | -177.7 | 149 | 0 | 0 | 107.8 | ||||
| 106 | D | 35.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | 176.4 | 127.1 | 134.9 | -90.7 | -20.5 | 0 | 0 | 0 | 112 | ||||
| 107 | D | 34.1 | Very low | 33.1 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 55 | 103.4 | 162.3 | -72.1 | -24.3 | 0 | 0 | 0 | 121.9 | ||||
| 108 | D | 33 | Very low | 34.1 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -63 | 133.4 | 154.3 | -62.2 | -68.4 | 0 | 0 | 0 | 111.9 | ||||
| 109 | G | 34.4 | Very low | 35.1 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | -121.3 | 91.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | D111 | G109-D111 PolarHBondContact O-N 2.89Š| ||
| 110 | D | 37.5 | Very low | 36.4 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | -61.4 | 125.8 | -170.4 | -73.6 | -53.1 | 0 | 0 | 0 | 114.9 | V112 | D110-V112 HydrophobicContact CB-CG2 4.14Å; D110-V112 PolarHBondContact O-N 1.96Å | ||
| 111 | D | 36.2 | Very low | 37.8 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | -69.9 | 107.7 | 164.1 | -91.9 | -44.3 | 0 | 0 | 0 | 110.7 | G109 | G109-D111 PolarHBondContact O-N 2.89Š| ||
| 112 | V | 36.4 | Very low | 39.2 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | -133.3 | 61.2 | 172.7 | -163.4 | 0 | 0 | 0 | 0 | 111.8 | D110 | D110-V112 HydrophobicContact CB-CG2 4.14Å; D110-V112 PolarHBondContact O-N 1.96Å | ||
| 113 | D | 33.5 | Very low | 40.2 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | trans | -136.1 | 72.3 | 170.4 | -105.7 | -31 | 0 | 0 | 0 | 111.3 | ||||
| 114 | Q | 34 | Very low | 41.6 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 85% | 0.846 | 69% | 0.687 | S | S | * | * | trans | -162.3 | 156.9 | 161.8 | -107.1 | 143.9 | 101.5 | 0 | 0 | 110.5 | ||||
| 115 | Y | 39.2 | Very low | 42.7 | Very low | 221 Ų | 221 | 125.5 Ų | 125.5 | 87% | 0.867 | 67% | 0.667 | S | S | * | * | trans | 74.4 | 65.4 | -171.6 | -56.2 | -78.4 | 0 | 0 | 0 | 117.2 | P117 | Y115-P117 WeakPolarHBondContact O-CD 2.81Š| ||
| 116 | L | 34 | Very low | 44.2 | Very low | 173 Ų | 173 | 119.4 Ų | 119.4 | 91% | 0.906 | 64% | 0.64 | S | S | * | * | trans | -96.9 | 108.5 | 151.4 | -138.1 | 91.5 | 0 | 0 | 0 | 109.5 | ||||
| 117 | P | 38.5 | Very low | 45.4 | Very low | 74 Ų | 74 | 112.3 Ų | 112.3 | 48% | 0.481 | 60% | 0.602 | S | S | . | * | trans | -65.4 | 140.2 | 179.2 | -21.5 | 33 | 0 | 0 | 0 | 111.7 | Y115 | Y115-P117 WeakPolarHBondContact O-CD 2.81Š| ||
| 118 | S | 49 | Very low | 46.8 | Very low | 62 Ų | 62 | 109.5 Ų | 109.5 | 43% | 0.434 | 59% | 0.59 | S | S | . | * | trans | -55.2 | 141.2 | 179.6 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | M120 D121 K122 | S118-M120 PolarHBondContact O-N 3.42Å; S118-M120 PolarHBondContact OG-N 3Å; S118-D121 WeakPolarHBondContact CB-OD2 3.43Å; S118-D121 PolarHBondContact O-N 3.1Å; S118-K122 PolarHBondContact O-N 2.65Å | ||
| 119 | I | 47.7 | Very low | 47.9 | Very low | 130 Ų | 130 | 106.7 Ų | 106.7 | 67% | 0.667 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -50.9 | -32.2 | 172.2 | -76.6 | 169.8 | 0 | 0 | 0 | 111.2 | D121 Q123 | I119-D121 PolarHBondContact O-N 3.47Å; I119-Q123 WeakPolarHBondContact O-CG 3.36Å; I119-Q123 PolarHBondContact O-N 3.04Å |
| 120 | M | 52.5 | Low | 48.9 | Very low | 101 Ų | 101 | 104.5 Ų | 104.5 | 50% | 0.498 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -37.2 | -178.8 | -149.1 | 163.5 | 67.2 | 0 | 0 | 112.5 | S118 Q123 K124 | S118-M120 PolarHBondContact O-N 3.42Å; S118-M120 PolarHBondContact OG-N 3Å; M120-Q123 PolarHBondContact O-N 3.25Å; M120-K124 WeakPolarHBondContact O-CG 3.47Å; M120-K124 PolarHBondContact O-N 3.48Å |
| 121 | D | 60.5 | Low | 49.8 | Very low | 87 Ų | 87 | 101.2 Ų | 101.2 | 47% | 0.465 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -74.9 | -38.7 | -179.5 | -57.3 | -42.4 | 0 | 0 | 0 | 111.5 | S118 I119 Q123 K124 S125 | S118-D121 WeakPolarHBondContact CB-OD2 3.43Å; S118-D121 PolarHBondContact O-N 3.1Å; I119-D121 PolarHBondContact O-N 3.47Å; D121-Q123 VanDerWaalsContact C-N 3.28Å; D121-Q123 PolarHBondContact O-N 3.24Å; D121-K124 PolarHBondContact O-N 3.4Å; D121-S125 PolarHBondContact O-N 3.41Å |
| 122 | K | 57.9 | Low | 50.9 | Low | 131 Ų | 131 | 93.8 Ų | 93.8 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -36.1 | 172.2 | -66.2 | -172.9 | 179.4 | -177.3 | 0 | 111.7 | S118 L126 | S118-K122 PolarHBondContact O-N 2.65Å; K122-L126 PolarHBondContact O-N 3.37Å |
| 123 | Q | 53.4 | Low | 52 | Low | 23 Ų | 23 | 94.5 Ų | 94.5 | 11% | 0.107 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -69 | -45 | 171.7 | -73.1 | -178.5 | -2 | 0 | 0 | 112.1 | I119 M120 D121 S125 L126 F127 C143 | I119-Q123 WeakPolarHBondContact O-CG 3.36Å; I119-Q123 PolarHBondContact O-N 3.04Å; M120-Q123 PolarHBondContact O-N 3.25Å; D121-Q123 VanDerWaalsContact C-N 3.28Å; D121-Q123 PolarHBondContact O-N 3.24Å; Q123-S125 VanDerWaalsContact C-N 3.29Å; Q123-S125 PolarHBondContact O-N 3.38Å; Q123-L126 WeakPolarHBondContact O-CB 2.76Å; Q123-L126 PolarHBondContact O-N 3.04Å; Q123-F127 WeakPolarHBondContact O-CD2 3.44Å; Q123-F127 PolarHBondContact O-N 3.23Å; Q123-C143 PolarHBondContact OE1-SG 3.32Å |
| 124 | K | 60.4 | Low | 53 | Low | 61 Ų | 61 | 90 Ų | 90 | 27% | 0.265 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -53.9 | -46.2 | 175.6 | -78.1 | -177.2 | 178 | -159.4 | 0 | 111.6 | M120 D121 L126 F127 V128 D136 I139 | M120-K124 WeakPolarHBondContact O-CG 3.47Å; M120-K124 PolarHBondContact O-N 3.48Å; D121-K124 PolarHBondContact O-N 3.4Å; K124-L126 PolarHBondContact O-N 2.76Å; K124-F127 PolarHBondContact O-N 3.34Å; K124-V128 WeakPolarHBondContact O-CG2 3.21Å; K124-V128 PolarHBondContact O-N 3.48Å; K124-D136 WeakPolarHBondContact CE-OD1 3.45Å; K124-D136 IonicContact NZ-OD1 2.8Å; K124-D136 PolarHBondContact NZ-OD1 2.87Å; K124-D136 IonicContact NZ-OD2 3.73Å; K124-I139 HydrophobicContact CD-CD1 4.31Å; K124-I139 HydrophobicContact CG-CD1 3.48Å; K124-I139 VanDerWaalsContact CG-CD1 3.48Å |
| 125 | S | 59.5 | Low | 54.3 | Low | 74 Ų | 74 | 84.3 Ų | 84.3 | 52% | 0.517 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -53.4 | -49.9 | 172.9 | 177.3 | 0 | 0 | 0 | 0 | 112.4 | D121 Q123 F127 V128 S129 | D121-S125 PolarHBondContact O-N 3.41Å; Q123-S125 VanDerWaalsContact C-N 3.29Å; Q123-S125 PolarHBondContact O-N 3.38Å; S125-F127 PolarHBondContact O-N 3.25Å; S125-V128 PolarHBondContact O-N 2.84Å; S125-S129 PolarHBondContact O-N 3.18Å; S125-S129 PolarHBondContact O-OG 3.36Å; S125-S129 VanDerWaalsContact O-OG 3.11Å |
| 126 | L | 60.2 | Low | 55.5 | Low | 51 Ų | 51 | 78.4 Ų | 78.4 | 27% | 0.267 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 179.1 | -170.9 | 73.1 | 0 | 0 | 0 | 113.1 | K122 Q123 K124 S129 I130 L181 I185 | K122-L126 PolarHBondContact O-N 3.37Å; Q123-L126 WeakPolarHBondContact O-CB 2.76Å; Q123-L126 PolarHBondContact O-N 3.04Å; K124-L126 PolarHBondContact O-N 2.76Å; L126-S129 PolarHBondContact O-N 2.95Å; L126-I130 HydrophobicContact CG-CD1 4.17Å; L126-I130 WeakPolarHBondContact O-CD1 3.5Å; L126-I130 VanDerWaalsContact O-CG1 3.28Å; L126-I130 WeakPolarHBondContact O-CG1 3.22Å; L126-I130 PolarHBondContact O-N 3.46Å; L126-L181 HydrophobicContact CD2-CD2 4.04Å; L126-I185 HydrophobicContact CD2-CD1 4.13Å |
| 127 | F | 61.5 | Low | 56.9 | Low | 8 Ų | 8 | 77 Ų | 77 | 4% | 0.035 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 176.6 | -78.6 | -79.1 | 0 | 0 | 0 | 112.1 | Q123 K124 S125 I130 G131 V132 T134 L138 I139 C142 I185 | Q123-F127 WeakPolarHBondContact O-CD2 3.44Å; Q123-F127 PolarHBondContact O-N 3.23Å; K124-F127 PolarHBondContact O-N 3.34Å; S125-F127 PolarHBondContact O-N 3.25Å; F127-I130 PolarHBondContact O-N 3.2Å; F127-G131 PolarHBondContact O-N 3.14Å; F127-V132 HydrophobicContact CD1-CB 4.34Å; F127-V132 HydrophobicContact CD1-CG1 4.31Å; F127-V132 PolarHBondContact O-N 3.08Å; F127-V132 VanDerWaalsContact O-N 3.12Å; F127-T134 HydrophobicContact CB-CG2 3.93Å; F127-L138 HydrophobicContact CD1-CD2 3.79Å; F127-L138 HydrophobicContact CE1-CD2 3.66Å; F127-L138 HydrophobicContact CE1-CG 4.25Å; F127-I139 HydrophobicContact CD2-CD1 4.45Å; F127-I139 HydrophobicContact CD2-CG1 3.91Å; F127-I139 HydrophobicContact CE2-CB 4.4Å; F127-I139 HydrophobicContact CE2-CG1 3.87Å; F127-I139 HydrophobicContact CE2-CG2 4.42Å; F127-C142 HydrophobicContact CZ-CB 3.88Å; F127-I185 HydrophobicContact CD1-CG2 3.91Å; F127-I185 HydrophobicContact CE1-CG1 4.32Å; F127-I185 HydrophobicContact CE1-CG2 3.6Å |
| 128 | V | 63.2 | Low | 58.1 | Low | 96 Ų | 96 | 73.6 Ų | 73.6 | 58% | 0.582 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -59.9 | -46.4 | 174.5 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | K124 S125 I130 G131 T134 | K124-V128 WeakPolarHBondContact O-CG2 3.21Å; K124-V128 PolarHBondContact O-N 3.48Å; S125-V128 PolarHBondContact O-N 2.84Å; V128-I130 PolarHBondContact O-N 2.97Å; V128-I130 VanDerWaalsContact O-N 3.13Å; V128-G131 PolarHBondContact O-N 3.34Å; V128-T134 HydrophobicContact CG2-CG2 3.79Å |
| 129 | S | 56.9 | Low | 58.8 | Low | 97 Ų | 97 | 71 Ų | 71 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.7 | -20.8 | 178.4 | -55.2 | 0 | 0 | 0 | 0 | 114.8 | S125 L126 | S125-S129 PolarHBondContact O-N 3.18Å; S125-S129 PolarHBondContact O-OG 3.36Å; S125-S129 VanDerWaalsContact O-OG 3.11Å; L126-S129 PolarHBondContact O-N 2.95Å |
| 130 | I | 55.5 | Low | 59.5 | Low | 31 Ų | 31 | 67.8 Ų | 67.8 | 16% | 0.159 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.7 | 178.1 | -58.5 | 163.9 | 0 | 0 | 0 | 111.2 | L126 F127 V128 V132 I182 I185 | L126-I130 HydrophobicContact CG-CD1 4.17Å; L126-I130 WeakPolarHBondContact O-CD1 3.5Å; L126-I130 VanDerWaalsContact O-CG1 3.28Å; L126-I130 WeakPolarHBondContact O-CG1 3.22Å; L126-I130 PolarHBondContact O-N 3.46Å; F127-I130 PolarHBondContact O-N 3.2Å; V128-I130 PolarHBondContact O-N 2.97Å; V128-I130 VanDerWaalsContact O-N 3.13Å; I130-V132 VanDerWaalsContact C-N 3.31Å; I130-V132 HydrophobicContact CB-CG2 4.13Å; I130-V132 HydrophobicContact CG2-CG2 3.82Å; I130-I182 HydrophobicContact CD1-CB 4.5Å; I130-I182 HydrophobicContact CD1-CG1 3.89Å; I130-I182 HydrophobicContact CG1-CG1 4.07Å; I130-I182 HydrophobicContact CG2-CG2 3.93Å; I130-I185 HydrophobicContact CD1-CD1 3.61Å; I130-I185 HydrophobicContact CD1-CG2 4.35Å |
| 131 | G | 56.3 | Low | 59.8 | Low | 74 Ų | 74 | 66.6 Ų | 66.6 | 76% | 0.763 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 26.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F127 V128 | F127-G131 PolarHBondContact O-N 3.14Å; V128-G131 PolarHBondContact O-N 3.34Å |
| 132 | V | 59.6 | Low | 59.5 | Low | 14 Ų | 14 | 62.9 Ų | 62.9 | 9% | 0.085 | 36% | 0.355 | C | S | . | . | trans | -101.5 | 114.4 | 179.1 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | F127 I130 T134 L138 I185 Y189 | F127-V132 HydrophobicContact CD1-CB 4.34Å; F127-V132 HydrophobicContact CD1-CG1 4.31Å; F127-V132 PolarHBondContact O-N 3.08Å; F127-V132 VanDerWaalsContact O-N 3.12Å; I130-V132 VanDerWaalsContact C-N 3.31Å; I130-V132 HydrophobicContact CB-CG2 4.13Å; I130-V132 HydrophobicContact CG2-CG2 3.82Å; V132-T134 PolarHBondContact O-N 3.36Å; V132-L138 HydrophobicContact CG1-CD2 3.44Å; V132-L138 VanDerWaalsContact CG1-CD2 3.44Å; V132-I185 HydrophobicContact CG2-CG2 4.34Å; V132-Y189 HydrophobicContact CG1-CD2 3.44Å; V132-Y189 VanDerWaalsContact CG1-CD2 3.44Å; V132-Y189 HydrophobicContact CG1-CE2 3.77Å; V132-Y189 HydrophobicContact CG1-CG 4.08Å | ||
| 133 | Q | 57.9 | Low | 59.3 | Low | 141 Ų | 141 | 59.5 Ų | 59.5 | 66% | 0.659 | 35% | 0.347 | S | S | * | . | trans | -54.1 | 125.9 | 178.2 | -161.1 | 172.6 | 15.5 | 0 | 0 | 110.6 | D135 | Q133-D135 PolarHBondContact O-N 3.42Š| ||
| 134 | T | 55.8 | Low | 59.2 | Low | 59 Ų | 59 | 64.5 Ų | 64.5 | 36% | 0.362 | 38% | 0.375 | S | S | . | . | trans | -80.7 | 74.4 | -168.9 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | F127 V128 V132 D136 | F127-T134 HydrophobicContact CB-CG2 3.93Å; V128-T134 HydrophobicContact CG2-CG2 3.79Å; V132-T134 PolarHBondContact O-N 3.36Å; T134-D136 PolarHBondContact O-N 3.22Å | ||
| 135 | D | 60.1 | Low | 58.6 | Low | 63 Ų | 63 | 64.8 Ų | 64.8 | 34% | 0.337 | 38% | 0.376 | S | S | . | . | trans | -68.8 | 122.6 | 160.5 | -70.9 | -31.8 | 0 | 0 | 0 | 108.5 | Q133 Q137 L138 I139 M192 | Q133-D135 PolarHBondContact O-N 3.42Å; D135-Q137 PolarHBondContact O-N 2.81Å; D135-Q137 VanDerWaalsContact O-N 3.11Å; D135-L138 HydrophobicContact CB-CB 4.12Å; D135-L138 WeakPolarHBondContact O-CA 3.42Å; D135-L138 VanDerWaalsContact O-CB 3.23Å; D135-L138 WeakPolarHBondContact O-CB 3.43Å; D135-L138 PolarHBondContact O-N 3.13Å; D135-I139 PolarHBondContact O-N 3.26Å; D135-M192 WeakPolarHBondContact OD2-CE 3.44Å | ||
| 136 | D | 65 | Low | 57.7 | Low | 96 Ų | 96 | 70.3 Ų | 70.3 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.5 | -27.5 | 176 | -75.6 | -44 | 0 | 0 | 0 | 112 | K124 T134 L138 I139 S140 | K124-D136 WeakPolarHBondContact CE-OD1 3.45Å; K124-D136 IonicContact NZ-OD1 2.8Å; K124-D136 PolarHBondContact NZ-OD1 2.87Å; K124-D136 IonicContact NZ-OD2 3.73Å; T134-D136 PolarHBondContact O-N 3.22Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 3.22Å; D136-I139 PolarHBondContact O-N 3.14Å; D136-S140 WeakPolarHBondContact O-CB 3.47Å; D136-S140 PolarHBondContact O-N 2.91Å |
| 137 | Q | 64.1 | Low | 56.8 | Low | 145 Ų | 145 | 71.9 Ų | 71.9 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.5 | -32.7 | 171 | -63.4 | -169.1 | 16.5 | 0 | 0 | 113.4 | D135 K141 | D135-Q137 PolarHBondContact O-N 2.81Å; D135-Q137 VanDerWaalsContact O-N 3.11Å; Q137-K141 WeakPolarHBondContact O-CB 3.41Å; Q137-K141 PolarHBondContact O-N 3.02Å |
| 138 | L | 64.2 | Low | 55.6 | Low | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69 | -44.6 | 176.4 | -173 | 82.2 | 0 | 0 | 0 | 110.2 | F127 V132 D135 D136 S140 K141 C142 Y189 M192 | F127-L138 HydrophobicContact CD1-CD2 3.79Å; F127-L138 HydrophobicContact CE1-CD2 3.66Å; F127-L138 HydrophobicContact CE1-CG 4.25Å; V132-L138 HydrophobicContact CG1-CD2 3.44Å; V132-L138 VanDerWaalsContact CG1-CD2 3.44Å; D135-L138 HydrophobicContact CB-CB 4.12Å; D135-L138 WeakPolarHBondContact O-CA 3.42Å; D135-L138 VanDerWaalsContact O-CB 3.23Å; D135-L138 WeakPolarHBondContact O-CB 3.43Å; D135-L138 PolarHBondContact O-N 3.13Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 3.22Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3.27Å; L138-K141 PolarHBondContact O-N 2.9Å; L138-C142 WeakPolarHBondContact O-CB 3.47Å; L138-C142 PolarHBondContact O-N 3.04Å; L138-C142 PolarHBondContact O-SG 3.31Å; L138-Y189 HydrophobicContact CD1-CD2 3.95Å; L138-Y189 HydrophobicContact CD2-CD2 4.01Å; L138-M192 HydrophobicContact CB-SD 4.33Å; L138-M192 HydrophobicContact CD1-CE 3.88Å; L138-M192 HydrophobicContact CD1-SD 3.77Å |
| 139 | I | 62.5 | Low | 54.5 | Low | 8 Ų | 8 | 71.8 Ų | 71.8 | 4% | 0.041 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 177.2 | -56.7 | 176.8 | 0 | 0 | 0 | 109.5 | K124 F127 D135 D136 K141 C142 C143 | K124-I139 HydrophobicContact CD-CD1 4.31Å; K124-I139 HydrophobicContact CG-CD1 3.48Å; K124-I139 VanDerWaalsContact CG-CD1 3.48Å; F127-I139 HydrophobicContact CD2-CD1 4.45Å; F127-I139 HydrophobicContact CD2-CG1 3.91Å; F127-I139 HydrophobicContact CE2-CB 4.4Å; F127-I139 HydrophobicContact CE2-CG1 3.87Å; F127-I139 HydrophobicContact CE2-CG2 4.42Å; D135-I139 PolarHBondContact O-N 3.26Å; D136-I139 PolarHBondContact O-N 3.14Å; I139-K141 PolarHBondContact O-N 3.07Å; I139-C142 PolarHBondContact O-N 3.43Å; I139-C143 PolarHBondContact O-N 3.08Å; I139-C143 PolarHBondContact O-SG 2.87Å |
| 140 | S | 62 | Low | 53.5 | Low | 63 Ų | 63 | 73.4 Ų | 73.4 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 175 | -175.9 | 0 | 0 | 0 | 0 | 112.6 | D136 L138 C142 C143 N144 | D136-S140 WeakPolarHBondContact O-CB 3.47Å; D136-S140 PolarHBondContact O-N 2.91Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3.27Å; S140-C142 VanDerWaalsContact C-N 3.32Å; S140-C142 PolarHBondContact O-N 3.29Å; S140-C143 PolarHBondContact O-N 2.89Å; S140-N144 VanDerWaalsContact O-CB 3.27Å; S140-N144 WeakPolarHBondContact O-CB 3.12Å; S140-N144 PolarHBondContact O-N 3.11Å; S140-N144 PolarHBondContact O-ND2 3.4Å; S140-N144 PolarHBondContact OG-ND2 2.92Å |
| 141 | K | 59.1 | Low | 52.7 | Low | 75 Ų | 75 | 78 Ų | 78 | 33% | 0.326 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -31.1 | 175.1 | -88.7 | -175.8 | 172.3 | 178.9 | 0 | 113.4 | Q137 L138 I139 K145 E195 | Q137-K141 WeakPolarHBondContact O-CB 3.41Å; Q137-K141 PolarHBondContact O-N 3.02Å; L138-K141 PolarHBondContact O-N 2.9Å; I139-K141 PolarHBondContact O-N 3.07Å; K141-K145 PolarHBondContact O-N 3.12Å; K141-E195 IonicContact NZ-OE2 2.75Å; K141-E195 PolarHBondContact NZ-OE2 3.35Å |
| 142 | C | 53.9 | Low | 51.7 | Low | 9 Ų | 9 | 78.6 Ų | 78.6 | 6% | 0.061 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -74.7 | -34.9 | 175.9 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | F127 L138 I139 S140 | F127-C142 HydrophobicContact CZ-CB 3.88Å; L138-C142 WeakPolarHBondContact O-CB 3.47Å; L138-C142 PolarHBondContact O-N 3.04Å; L138-C142 PolarHBondContact O-SG 3.31Å; I139-C142 PolarHBondContact O-N 3.43Å; S140-C142 VanDerWaalsContact C-N 3.32Å; S140-C142 PolarHBondContact O-N 3.29Å |
| 143 | C | 55.3 | Low | 50.5 | Low | 60 Ų | 60 | 80.6 Ų | 80.6 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -74.5 | -38 | 173.7 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | Q123 I139 S140 K145 | Q123-C143 PolarHBondContact OE1-SG 3.32Å; I139-C143 PolarHBondContact O-N 3.08Å; I139-C143 PolarHBondContact O-SG 2.87Å; S140-C143 PolarHBondContact O-N 2.89Å; C143-K145 VanDerWaalsContact C-N 3.35Å; C143-K145 PolarHBondContact O-N 3.27Å |
| 144 | N | 51.4 | Low | 49.6 | Very low | 129 Ų | 129 | 77 Ų | 77 | 69% | 0.69 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -79.3 | -12.7 | -176.9 | -70.7 | -32.6 | 0 | 0 | 0 | 114.3 | S140 | S140-N144 VanDerWaalsContact O-CB 3.27Å; S140-N144 WeakPolarHBondContact O-CB 3.12Å; S140-N144 PolarHBondContact O-N 3.11Å; S140-N144 PolarHBondContact O-ND2 3.4Å; S140-N144 PolarHBondContact OG-ND2 2.92Å |
| 145 | K | 46.7 | Very low | 48.5 | Very low | 66 Ų | 66 | 79 Ų | 79 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -92.8 | 128.9 | 165.8 | -73.1 | 176.3 | 176 | 171 | 0 | 107.6 | K141 C143 I147 V188 E191 | K141-K145 PolarHBondContact O-N 3.12Å; C143-K145 VanDerWaalsContact C-N 3.35Å; C143-K145 PolarHBondContact O-N 3.27Å; K145-I147 HydrophobicContact CB-CD1 3.85Å; K145-I147 HydrophobicContact CB-CG1 4.03Å; K145-I147 HydrophobicContact CD-CD1 4.09Å; K145-I147 PolarHBondContact O-N 3.03Å; K145-V188 HydrophobicContact CD-CG2 4.46Å; K145-E191 IonicContact NZ-OE2 3.68Å; K145-E191 PolarHBondContact NZ-OE2 3.35Å |
| 146 | E | 41.1 | Very low | 47.1 | Very low | 191 Ų | 191 | 79.4 Ų | 79.4 | 89% | 0.893 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 18.6 | 179.9 | -56.5 | 174.7 | 136.5 | 0 | 0 | 115.5 | L148 | E146-L148 PolarHBondContact O-N 3.45Š|
| 147 | I | 40.1 | Very low | 45.5 | Very low | 84 Ų | 84 | 78.9 Ų | 78.9 | 43% | 0.431 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -28.6 | 176.1 | -62.2 | 170.6 | 0 | 0 | 0 | 110.4 | K145 A184 V188 | K145-I147 HydrophobicContact CB-CD1 3.85Å; K145-I147 HydrophobicContact CB-CG1 4.03Å; K145-I147 HydrophobicContact CD-CD1 4.09Å; K145-I147 PolarHBondContact O-N 3.03Å; I147-A184 HydrophobicContact CG2-CB 3.88Å; I147-V188 HydrophobicContact CD1-CG2 3.68Å |
| 148 | L | 36.8 | Very low | 43.8 | Very low | 39 Ų | 39 | 81.5 Ų | 81.5 | 20% | 0.204 | 43% | 0.433 | C | S | . | . | trans | -98.2 | 81.3 | 170 | -69.4 | 168.1 | 0 | 0 | 0 | 109.9 | E146 N150 L153 L181 | E146-L148 PolarHBondContact O-N 3.45Å; L148-N150 PolarHBondContact O-N 3.32Å; L148-L153 HydrophobicContact CB-CD1 4.42Å; L148-L153 HydrophobicContact CD1-CD1 4.28Å; L148-L153 HydrophobicContact CD2-CD1 4.05Å; L148-L153 HydrophobicContact CD2-CG 4.27Å; L148-L153 HydrophobicContact CG-CD1 4.49Å; L148-L181 HydrophobicContact CD2-CD1 3.77Å | ||
| 149 | S | 41.2 | Very low | 42.1 | Very low | 63 Ų | 63 | 89.1 Ų | 89.1 | 44% | 0.441 | 47% | 0.467 | S | S | . | . | trans | -61.5 | 119.6 | 156.2 | 29.3 | 0 | 0 | 0 | 0 | 107.8 | D151 N152 | S149-D151 PolarHBondContact O-N 3.19Å; S149-N152 PolarHBondContact O-N 3.34Å; S149-N152 VanDerWaalsContact O-N 3.1Å; S149-N152 PolarHBondContact OG-ND2 3.25Å | ||
| 150 | N | 35.8 | Very low | 40.4 | Very low | 130 Ų | 130 | 94.8 Ų | 94.8 | 70% | 0.695 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -51.4 | -30.9 | -167.3 | -73.4 | -19.8 | 0 | 0 | 0 | 114.1 | L148 N152 L153 | L148-N150 PolarHBondContact O-N 3.32Å; N150-N152 PolarHBondContact O-N 3.33Å; N150-L153 PolarHBondContact O-N 3.11Å; N150-L153 VanDerWaalsContact O-N 3.1Å |
| 151 | D | 37.9 | Very low | 38.8 | Very low | 128 Ų | 128 | 98.8 Ų | 98.8 | 68% | 0.684 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -61.1 | -14.2 | -178.8 | -51.3 | -20.8 | 0 | 0 | 0 | 114.8 | S149 S154 | S149-D151 PolarHBondContact O-N 3.19Å; D151-S154 PolarHBondContact O-OG 3.19Å |
| 152 | N | 36.4 | Very low | 37.4 | Very low | 87 Ų | 87 | 104 Ų | 104 | 47% | 0.465 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -93.3 | -16.9 | 176.9 | -70.1 | -53.2 | 0 | 0 | 0 | 114.1 | S149 N150 | S149-N152 PolarHBondContact O-N 3.34Å; S149-N152 VanDerWaalsContact O-N 3.1Å; S149-N152 PolarHBondContact OG-ND2 3.25Å; N150-N152 PolarHBondContact O-N 3.33Å |
| 153 | L | 33.8 | Very low | 36.1 | Very low | 55 Ų | 55 | 111.2 Ų | 111.2 | 29% | 0.288 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.1 | -31.3 | 178.6 | -89.4 | 159.4 | 0 | 0 | 0 | 112.5 | L148 N150 N155 I156 S157 | L148-L153 HydrophobicContact CB-CD1 4.42Å; L148-L153 HydrophobicContact CD1-CD1 4.28Å; L148-L153 HydrophobicContact CD2-CD1 4.05Å; L148-L153 HydrophobicContact CD2-CG 4.27Å; L148-L153 HydrophobicContact CG-CD1 4.49Å; N150-L153 PolarHBondContact O-N 3.11Å; N150-L153 VanDerWaalsContact O-N 3.1Å; L153-N155 VanDerWaalsContact C-N 3.26Å; L153-N155 PolarHBondContact O-N 3.1Å; L153-I156 PolarHBondContact O-N 3.06Å; L153-I156 VanDerWaalsContact O-N 3.07Å; L153-S157 PolarHBondContact O-N 3.27Å |
| 154 | S | 38 | Very low | 34.8 | Very low | 65 Ų | 65 | 115.1 Ų | 115.1 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -59.7 | -35.2 | 174.5 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | D151 I156 S157 | D151-S154 PolarHBondContact O-OG 3.19Å; S154-I156 PolarHBondContact O-N 2.97Å; S154-S157 PolarHBondContact O-N 3.43Å; S154-S157 PolarHBondContact O-OG 3.38Å; S154-S157 VanDerWaalsContact O-OG 3.11Å |
| 155 | N | 33.1 | Very low | 33.9 | Very low | 101 Ų | 101 | 114.4 Ų | 114.4 | 54% | 0.54 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -73.4 | -7.7 | 177.8 | -70.6 | -30.4 | 0 | 0 | 0 | 114 | L153 | L153-N155 VanDerWaalsContact C-N 3.26Å; L153-N155 PolarHBondContact O-N 3.1Å |
| 156 | I | 29.8 | Very low | 32.9 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 37% | 0.374 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -92.5 | -19.3 | 170 | -58.4 | 177.1 | 0 | 0 | 0 | 110.6 | L153 S154 Y158 L181 | L153-I156 PolarHBondContact O-N 3.06Å; L153-I156 VanDerWaalsContact O-N 3.07Å; S154-I156 PolarHBondContact O-N 2.97Å; I156-Y158 PolarHBondContact O-N 3.1Å; I156-Y158 VanDerWaalsContact O-N 3.09Å; I156-L181 HydrophobicContact CD1-CD2 3.81Å |
| 157 | S | 32.1 | Very low | 32.4 | Very low | 85 Ų | 85 | 115.7 Ų | 115.7 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -0.7 | -179.1 | 91 | 0 | 0 | 0 | 0 | 114.6 | L153 S154 | L153-S157 PolarHBondContact O-N 3.27Å; S154-S157 PolarHBondContact O-N 3.43Å; S154-S157 PolarHBondContact O-OG 3.38Å; S154-S157 VanDerWaalsContact O-OG 3.11Å |
| 158 | Y | 28.7 | Very low | 32 | Very low | 199 Ų | 199 | 118.4 Ų | 118.4 | 78% | 0.78 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 10.2 | -177.9 | -113.5 | -80.4 | 0 | 0 | 0 | 114.3 | I156 | I156-Y158 PolarHBondContact O-N 3.1Å; I156-Y158 VanDerWaalsContact O-N 3.09Å |
| 159 | F | 28.4 | Very low | 31.7 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -109.2 | 3.5 | -175.6 | -125.7 | -86.3 | 0 | 0 | 0 | 115.6 | ||
| 160 | C | 27.1 | Very low | 31.4 | Very low | 126 Ų | 126 | 129 Ų | 129 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -130.2 | 42.7 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 161 | D | 27.1 | Very low | 31.3 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -156.6 | 155.3 | 156 | -135.9 | -28.6 | 0 | 0 | 0 | 111.7 | ||
| 162 | K | 30.6 | Very low | 31.4 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 80% | 0.8 | 67% | 0.673 | S | S | * | * | trans | 73 | 80.3 | -175.7 | -49.7 | -171.3 | -173.6 | -167.3 | 0 | 115.8 | D164 | K162-D164 PolarHBondContact O-N 2.87Å; K162-D164 VanDerWaalsContact O-N 3.12Å | ||
| 163 | N | 26 | Very low | 31.6 | Very low | 162 Ų | 162 | 128 Ų | 128 | 87% | 0.866 | 68% | 0.683 | S | S | * | * | trans | -54.6 | 104.5 | 134.2 | -67.9 | -41.1 | 0 | 0 | 0 | 108.1 | ||||
| 164 | D | 29 | Very low | 32.2 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | trans | -172.1 | 121.9 | 148.4 | -101 | -28.4 | 0 | 0 | 0 | 113.9 | K162 | K162-D164 PolarHBondContact O-N 2.87Å; K162-D164 VanDerWaalsContact O-N 3.12Å | ||
| 165 | T | 32.7 | Very low | 32.5 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | trans | 56.9 | 102.4 | 152.1 | 65.2 | 0 | 0 | 0 | 0 | 120.2 | T167 | T165-T167 PolarHBondContact O-N 3.41Š| ||
| 166 | N | 25.6 | Very low | 33.2 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 91% | 0.909 | 69% | 0.687 | S | S | * | * | trans | 32.9 | 72 | 135.1 | -69.3 | -19.3 | 0 | 0 | 0 | 118.6 | ||||
| 167 | T | 30.4 | Very low | 34.9 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | trans | -126.3 | 114.7 | 151.2 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | T165 Y169 | T165-T167 PolarHBondContact O-N 3.41Å; T167-Y169 VanDerWaalsContact C-N 3.27Å; T167-Y169 PolarHBondContact O-N 3.41Å | ||
| 168 | T | 30.9 | Very low | 36.8 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 87% | 0.871 | 68% | 0.684 | S | S | * | * | trans | -73.3 | 77.3 | 178.1 | -48.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 169 | Y | 30.8 | Very low | 38.9 | Very low | 192 Ų | 192 | 126.6 Ų | 126.6 | 75% | 0.753 | 68% | 0.676 | S | S | * | * | trans | -83.6 | 144.4 | 167.1 | -94.5 | -85.1 | 0 | 0 | 0 | 111 | T167 D171 | T167-Y169 VanDerWaalsContact C-N 3.27Å; T167-Y169 PolarHBondContact O-N 3.41Å; Y169-D171 PolarHBondContact O-N 3.4Å | ||
| 170 | N | 34.6 | Very low | 40.7 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | -84.6 | 96.2 | -170.6 | -64.9 | -74.4 | 0 | 0 | 0 | 111.2 | T172 | N170-T172 PolarHBondContact O-N 3.33Š| ||
| 171 | D | 34.8 | Very low | 43.1 | Very low | 104 Ų | 104 | 117.4 Ų | 117.4 | 56% | 0.556 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 2.4 | -176.3 | -71.9 | -43 | 0 | 0 | 0 | 116.8 | Y169 T173 | Y169-D171 PolarHBondContact O-N 3.4Å; D171-T173 PolarHBondContact O-N 2.7Å; D171-T173 VanDerWaalsContact O-N 3.17Å |
| 172 | T | 40.2 | Very low | 45.6 | Very low | 111 Ų | 111 | 112.3 Ų | 112.3 | 68% | 0.681 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -14.1 | -169.6 | -17.5 | 0 | 0 | 0 | 0 | 114.5 | N170 N176 | N170-T172 PolarHBondContact O-N 3.33Å; T172-N176 PolarHBondContact O-ND2 3.42Å |
| 173 | T | 40.5 | Very low | 47.6 | Very low | 110 Ų | 110 | 107.3 Ų | 107.3 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -30.9 | 179.9 | 44.9 | 0 | 0 | 0 | 0 | 114.2 | D171 N176 | D171-T173 PolarHBondContact O-N 2.7Å; D171-T173 VanDerWaalsContact O-N 3.17Å; T173-N176 PolarHBondContact O-ND2 3.32Å |
| 174 | N | 44.9 | Very low | 50.1 | Low | 69 Ų | 69 | 100.1 Ų | 100.1 | 37% | 0.369 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -35.5 | -171.9 | -131.3 | 11.2 | 0 | 0 | 0 | 112.9 | N176 N177 V178 | N174-N176 PolarHBondContact O-N 3.48Å; N174-N176 VanDerWaalsContact O-N 3.17Å; N174-N177 WeakPolarHBondContact O-CB 3.43Å; N174-N177 PolarHBondContact O-N 3.3Å; N174-V178 PolarHBondContact O-N 2.89Å |
| 175 | N | 45.7 | Very low | 52.5 | Low | 98 Ų | 98 | 94 Ų | 94 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.2 | -34.4 | 179.9 | -69.4 | -10.3 | 0 | 0 | 0 | 113.3 | N177 V178 E179 | N175-N177 VanDerWaalsContact C-N 3.26Å; N175-N177 PolarHBondContact O-N 3.22Å; N175-V178 PolarHBondContact O-N 3.31Å; N175-E179 PolarHBondContact O-N 3.49Å |
| 176 | N | 47.2 | Very low | 54.8 | Low | 89 Ų | 89 | 95 Ų | 95 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -29.6 | 178.6 | -50.9 | -58.8 | 0 | 0 | 0 | 113 | T172 T173 N174 S180 | T172-N176 PolarHBondContact O-ND2 3.42Å; T173-N176 PolarHBondContact O-ND2 3.32Å; N174-N176 PolarHBondContact O-N 3.48Å; N174-N176 VanDerWaalsContact O-N 3.17Å; N176-S180 VanDerWaalsContact O-CB 3.3Å; N176-S180 WeakPolarHBondContact O-CB 3.48Å; N176-S180 PolarHBondContact O-N 3.27Å; N176-S180 VanDerWaalsContact O-N 3.17Å; N176-S180 PolarHBondContact O-OG 3.21Å |
| 177 | N | 65.7 | Low | 57.3 | Low | 95 Ų | 95 | 88.8 Ų | 88.8 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76.6 | -39.4 | 177.2 | -71.5 | -14.9 | 0 | 0 | 0 | 110.8 | N174 N175 S180 L181 | N174-N177 WeakPolarHBondContact O-CB 3.43Å; N174-N177 PolarHBondContact O-N 3.3Å; N175-N177 VanDerWaalsContact C-N 3.26Å; N175-N177 PolarHBondContact O-N 3.22Å; N177-S180 WeakPolarHBondContact O-CB 3.36Å; N177-S180 PolarHBondContact O-N 2.9Å; N177-L181 PolarHBondContact O-N 2.92Å |
| 178 | V | 72.3 | Confident | 59.7 | Low | 66 Ų | 66 | 83.6 Ų | 83.6 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.3 | -47.7 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | N174 N175 S180 L181 I182 | N174-V178 PolarHBondContact O-N 2.89Å; N175-V178 PolarHBondContact O-N 3.31Å; V178-S180 VanDerWaalsContact C-N 3.27Å; V178-S180 PolarHBondContact O-N 3.39Å; V178-L181 PolarHBondContact O-N 3.17Å; V178-L181 VanDerWaalsContact O-N 3.1Å; V178-I182 HydrophobicContact CG1-CD1 3.89Å; V178-I182 HydrophobicContact CG1-CG1 4.43Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.25Å; V178-I182 PolarHBondContact O-N 3.07Å |
| 179 | E | 72.3 | Confident | 62.3 | Low | 131 Ų | 131 | 79.9 Ų | 79.9 | 61% | 0.612 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -57.4 | -42.2 | 173.3 | -73.6 | -171.5 | 165 | 0 | 0 | 111.6 | N175 L181 I182 D183 | N175-E179 PolarHBondContact O-N 3.49Å; E179-L181 PolarHBondContact O-N 3.46Å; E179-I182 PolarHBondContact O-N 3.29Å; E179-D183 WeakPolarHBondContact O-CB 3.44Å; E179-D183 PolarHBondContact O-N 3.23Å |
| 180 | S | 67.5 | Low | 64.7 | Low | 61 Ų | 61 | 72.5 Ų | 72.5 | 43% | 0.427 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 174.7 | -67.6 | 0 | 0 | 0 | 0 | 112 | N176 N177 V178 D183 A184 R314 | N176-S180 VanDerWaalsContact O-CB 3.3Å; N176-S180 WeakPolarHBondContact O-CB 3.48Å; N176-S180 PolarHBondContact O-N 3.27Å; N176-S180 VanDerWaalsContact O-N 3.17Å; N176-S180 PolarHBondContact O-OG 3.21Å; N177-S180 WeakPolarHBondContact O-CB 3.36Å; N177-S180 PolarHBondContact O-N 2.9Å; V178-S180 VanDerWaalsContact C-N 3.27Å; V178-S180 PolarHBondContact O-N 3.39Å; S180-D183 PolarHBondContact O-N 3.2Å; S180-A184 PolarHBondContact O-N 3.07Å; S180-R314 PolarHBondContact O-NH2 3.4Å |
| 181 | L | 76.7 | Confident | 67.1 | Low | 34 Ų | 34 | 68.2 Ų | 68.2 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 178.2 | 179.4 | 58.9 | 0 | 0 | 0 | 111.6 | L126 L148 I156 N177 V178 E179 D183 A184 I185 | L126-L181 HydrophobicContact CD2-CD2 4.04Å; L148-L181 HydrophobicContact CD2-CD1 3.77Å; I156-L181 HydrophobicContact CD1-CD2 3.81Å; N177-L181 PolarHBondContact O-N 2.92Å; V178-L181 PolarHBondContact O-N 3.17Å; V178-L181 VanDerWaalsContact O-N 3.1Å; E179-L181 PolarHBondContact O-N 3.46Å; L181-D183 VanDerWaalsContact C-N 3.35Å; L181-D183 PolarHBondContact O-N 2.94Å; L181-A184 WeakPolarHBondContact O-CB 3.27Å; L181-A184 PolarHBondContact O-N 3.34Å; L181-I185 HydrophobicContact CD1-CD1 4.28Å; L181-I185 HydrophobicContact CG-CD1 4.15Å; L181-I185 PolarHBondContact O-N 2.79Å |
| 182 | I | 78.7 | Confident | 69.4 | Low | 40 Ų | 40 | 63.5 Ų | 63.5 | 21% | 0.205 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.7 | -47.7 | 176.8 | -69 | 170.3 | 0 | 0 | 0 | 110.8 | I130 V178 E179 A184 I185 R186 | I130-I182 HydrophobicContact CD1-CB 4.5Å; I130-I182 HydrophobicContact CD1-CG1 3.89Å; I130-I182 HydrophobicContact CG1-CG1 4.07Å; I130-I182 HydrophobicContact CG2-CG2 3.93Å; V178-I182 HydrophobicContact CG1-CD1 3.89Å; V178-I182 HydrophobicContact CG1-CG1 4.43Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.25Å; V178-I182 PolarHBondContact O-N 3.07Å; E179-I182 PolarHBondContact O-N 3.29Å; I182-A184 VanDerWaalsContact C-N 3.27Å; I182-A184 PolarHBondContact O-N 3.11Å; I182-I185 PolarHBondContact O-N 3.49Å; I182-R186 WeakPolarHBondContact O-CG 3.49Å; I182-R186 PolarHBondContact O-N 2.94Å |
| 183 | D | 73.1 | Confident | 71.7 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.3 | -21.8 | 178.2 | -90.3 | 7.9 | 0 | 0 | 0 | 113.3 | E179 S180 L181 R186 C187 R314 | E179-D183 WeakPolarHBondContact O-CB 3.44Å; E179-D183 PolarHBondContact O-N 3.23Å; S180-D183 PolarHBondContact O-N 3.2Å; L181-D183 VanDerWaalsContact C-N 3.35Å; L181-D183 PolarHBondContact O-N 2.94Å; D183-R186 WeakPolarHBondContact OD1-CD 3.47Å; D183-R186 IonicContact OD1-CZ 3.47Å; D183-R186 IonicContact OD1-NH1 2.69Å; D183-R186 PolarHBondContact OD1-NH1 3.25Å; D183-C187 PolarHBondContact O-N 3.24Å; D183-C187 PolarHBondContact O-SG 2.91Å; D183-R314 VanDerWaalsContact C-NH1 3.29Å; D183-R314 PolarHBondContact O-NH1 3.38Å |
| 184 | A | 78.6 | Confident | 73.9 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.2 | -46 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I147 S180 L181 I182 R186 C187 V188 | I147-A184 HydrophobicContact CG2-CB 3.88Å; S180-A184 PolarHBondContact O-N 3.07Å; L181-A184 WeakPolarHBondContact O-CB 3.27Å; L181-A184 PolarHBondContact O-N 3.34Å; I182-A184 VanDerWaalsContact C-N 3.27Å; I182-A184 PolarHBondContact O-N 3.11Å; A184-R186 PolarHBondContact O-N 3.07Å; A184-C187 WeakPolarHBondContact O-CB 3.42Å; A184-C187 PolarHBondContact O-N 3.16Å; A184-C187 VanDerWaalsContact O-N 3.16Å; A184-V188 PolarHBondContact O-N 3.09Å; A184-V188 VanDerWaalsContact O-N 3.09Å |
| 185 | I | 79.6 | Confident | 75.8 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.7 | -49.1 | 175.1 | -71.8 | 165.1 | 0 | 0 | 0 | 110.8 | L126 F127 I130 V132 L181 I182 C187 V188 Y189 | L126-I185 HydrophobicContact CD2-CD1 4.13Å; F127-I185 HydrophobicContact CD1-CG2 3.91Å; F127-I185 HydrophobicContact CE1-CG1 4.32Å; F127-I185 HydrophobicContact CE1-CG2 3.6Å; I130-I185 HydrophobicContact CD1-CD1 3.61Å; I130-I185 HydrophobicContact CD1-CG2 4.35Å; V132-I185 HydrophobicContact CG2-CG2 4.34Å; L181-I185 HydrophobicContact CD1-CD1 4.28Å; L181-I185 HydrophobicContact CG-CD1 4.15Å; L181-I185 PolarHBondContact O-N 2.79Å; I182-I185 PolarHBondContact O-N 3.49Å; I185-C187 VanDerWaalsContact C-N 3.27Å; I185-C187 PolarHBondContact O-N 3.18Å; I185-V188 PolarHBondContact O-N 2.97Å; I185-V188 VanDerWaalsContact O-N 3.11Å; I185-Y189 PolarHBondContact O-N 3.05Å |
| 186 | R | 81.3 | Confident | 77.7 | Confident | 135 Ų | 135 | 57 Ų | 57 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.4 | -38.6 | 175.5 | -72 | 169.4 | 175.5 | 162.9 | -1.9 | 112.9 | I182 D183 A184 A190 | I182-R186 WeakPolarHBondContact O-CG 3.49Å; I182-R186 PolarHBondContact O-N 2.94Å; D183-R186 WeakPolarHBondContact OD1-CD 3.47Å; D183-R186 IonicContact OD1-CZ 3.47Å; D183-R186 IonicContact OD1-NH1 2.69Å; D183-R186 PolarHBondContact OD1-NH1 3.25Å; A184-R186 PolarHBondContact O-N 3.07Å; R186-A190 WeakPolarHBondContact O-CB 3.49Å; R186-A190 PolarHBondContact O-N 3.39Å |
| 187 | C | 77.5 | Confident | 79.6 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 175.9 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | D183 A184 I185 A190 E191 | D183-C187 PolarHBondContact O-N 3.24Å; D183-C187 PolarHBondContact O-SG 2.91Å; A184-C187 WeakPolarHBondContact O-CB 3.42Å; A184-C187 PolarHBondContact O-N 3.16Å; A184-C187 VanDerWaalsContact O-N 3.16Å; I185-C187 VanDerWaalsContact C-N 3.27Å; I185-C187 PolarHBondContact O-N 3.18Å; C187-A190 PolarHBondContact O-N 3.41Å; C187-E191 PolarHBondContact O-N 2.97Å |
| 188 | V | 81.5 | Confident | 80.6 | Confident | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 178.6 | 177 | 0 | 0 | 0 | 0 | 111.1 | K145 I147 A184 I185 E191 M192 | K145-V188 HydrophobicContact CD-CG2 4.46Å; I147-V188 HydrophobicContact CD1-CG2 3.68Å; A184-V188 PolarHBondContact O-N 3.09Å; A184-V188 VanDerWaalsContact O-N 3.09Å; I185-V188 PolarHBondContact O-N 2.97Å; I185-V188 VanDerWaalsContact O-N 3.11Å; V188-E191 PolarHBondContact O-N 3.11Å; V188-M192 PolarHBondContact O-N 3.06Å |
| 189 | Y | 84 | Confident | 81.1 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 173.7 | -175.3 | -95.2 | 0 | 0 | 0 | 112.2 | V132 L138 I185 E191 M192 K193 | V132-Y189 HydrophobicContact CG1-CD2 3.44Å; V132-Y189 VanDerWaalsContact CG1-CD2 3.44Å; V132-Y189 HydrophobicContact CG1-CE2 3.77Å; V132-Y189 HydrophobicContact CG1-CG 4.08Å; L138-Y189 HydrophobicContact CD1-CD2 3.95Å; L138-Y189 HydrophobicContact CD2-CD2 4.01Å; I185-Y189 PolarHBondContact O-N 3.05Å; Y189-E191 PolarHBondContact O-N 3.46Å; Y189-M192 HydrophobicContact CD2-CE 4.25Å; Y189-M192 HydrophobicContact CE2-CE 4.26Å; Y189-M192 PolarHBondContact O-N 3.12Å; Y189-K193 HydrophobicContact CD1-CG 4.26Å; Y189-K193 HydrophobicContact CE1-CG 3.82Å; Y189-K193 VanDerWaalsContact CZ-CE 3.48Å; Y189-K193 PolarHBondContact O-N 2.9Å; Y189-K193 WeakPolarHBondContact OH-CE 3.41Å |
| 190 | A | 82.8 | Confident | 82 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R186 C187 I194 L307 | R186-A190 WeakPolarHBondContact O-CB 3.49Å; R186-A190 PolarHBondContact O-N 3.39Å; C187-A190 PolarHBondContact O-N 3.41Å; A190-I194 WeakPolarHBondContact O-CB 3.48Å; A190-I194 WeakPolarHBondContact O-CD1 3.42Å; A190-I194 VanDerWaalsContact O-CG1 3.28Å; A190-I194 WeakPolarHBondContact O-CG1 3.36Å; A190-I194 PolarHBondContact O-N 3.5Å; A190-I194 VanDerWaalsContact O-N 3.13Å; A190-L307 HydrophobicContact CB-CD2 4.28Å |
| 191 | E | 83.5 | Confident | 83 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 19% | 0.192 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 171.4 | -71.2 | -170.8 | 134.4 | 0 | 0 | 111.7 | K145 C187 V188 Y189 I194 E195 L307 Q311 | K145-E191 IonicContact NZ-OE2 3.68Å; K145-E191 PolarHBondContact NZ-OE2 3.35Å; C187-E191 PolarHBondContact O-N 2.97Å; V188-E191 PolarHBondContact O-N 3.11Å; Y189-E191 PolarHBondContact O-N 3.46Å; E191-I194 WeakPolarHBondContact O-CB 3.19Å; E191-I194 PolarHBondContact O-N 3.03Å; E191-E195 WeakPolarHBondContact O-CG 3.21Å; E191-E195 PolarHBondContact O-N 3.05Å; E191-L307 HydrophobicContact CB-CD2 4.47Å; E191-L307 HydrophobicContact CG-CD2 3.58Å; E191-L307 HydrophobicContact CG-CG 4.4Å; E191-Q311 PolarHBondContact OE1-NE2 3.28Å |
| 192 | M | 84.2 | Confident | 83.5 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | -179.2 | -173.6 | -179.6 | 80 | 0 | 0 | 112.3 | D135 L138 V188 Y189 I194 E195 Q196 | D135-M192 WeakPolarHBondContact OD2-CE 3.44Å; L138-M192 HydrophobicContact CB-SD 4.33Å; L138-M192 HydrophobicContact CD1-CE 3.88Å; L138-M192 HydrophobicContact CD1-SD 3.77Å; V188-M192 PolarHBondContact O-N 3.06Å; Y189-M192 HydrophobicContact CD2-CE 4.25Å; Y189-M192 HydrophobicContact CE2-CE 4.26Å; Y189-M192 PolarHBondContact O-N 3.12Å; M192-I194 VanDerWaalsContact C-N 3.29Å; M192-I194 PolarHBondContact O-N 3.46Å; M192-E195 PolarHBondContact O-N 3.02Å; M192-Q196 WeakPolarHBondContact O-CG 3.34Å; M192-Q196 PolarHBondContact O-N 3.13Å |
| 193 | K | 87.9 | Confident | 83.8 | Confident | 85 Ų | 85 | 54.9 Ų | 54.9 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.6 | -33.1 | 176.5 | -70.3 | -63.9 | -177.4 | -171.2 | 0 | 112.4 | Y189 A197 | Y189-K193 HydrophobicContact CD1-CG 4.26Å; Y189-K193 HydrophobicContact CE1-CG 3.82Å; Y189-K193 VanDerWaalsContact CZ-CE 3.48Å; Y189-K193 PolarHBondContact O-N 2.9Å; Y189-K193 WeakPolarHBondContact OH-CE 3.41Å; K193-A197 WeakPolarHBondContact O-CB 3.41Å; K193-A197 PolarHBondContact O-N 3.02Å; K193-A197 VanDerWaalsContact O-N 3.12Å |
| 194 | I | 86.9 | Confident | 84.3 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 172 | -75.6 | 167.9 | 0 | 0 | 0 | 111.2 | A190 E191 M192 A197 E198 I300 T303 K304 L307 | A190-I194 WeakPolarHBondContact O-CB 3.48Å; A190-I194 WeakPolarHBondContact O-CD1 3.42Å; A190-I194 VanDerWaalsContact O-CG1 3.28Å; A190-I194 WeakPolarHBondContact O-CG1 3.36Å; A190-I194 PolarHBondContact O-N 3.5Å; A190-I194 VanDerWaalsContact O-N 3.13Å; E191-I194 WeakPolarHBondContact O-CB 3.19Å; E191-I194 PolarHBondContact O-N 3.03Å; M192-I194 VanDerWaalsContact C-N 3.29Å; M192-I194 PolarHBondContact O-N 3.46Å; I194-A197 PolarHBondContact O-N 3.5Å; I194-E198 WeakPolarHBondContact O-CG 3.44Å; I194-E198 PolarHBondContact O-N 3.25Å; I194-I300 HydrophobicContact CG2-CG2 3.91Å; I194-T303 HydrophobicContact CD1-CG2 3.94Å; I194-K304 HydrophobicContact CG2-CB 4.09Å; I194-K304 HydrophobicContact CG2-CD 4.02Å; I194-K304 HydrophobicContact CG2-CG 4.17Å; I194-L307 HydrophobicContact CD1-CD2 3.93Å |
| 195 | E | 85 | Confident | 84.5 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 176.5 | -73 | 174 | 174.6 | 0 | 0 | 112 | K141 E191 M192 A197 E198 M199 | K141-E195 IonicContact NZ-OE2 2.75Å; K141-E195 PolarHBondContact NZ-OE2 3.35Å; E191-E195 WeakPolarHBondContact O-CG 3.21Å; E191-E195 PolarHBondContact O-N 3.05Å; M192-E195 PolarHBondContact O-N 3.02Å; E195-A197 PolarHBondContact O-N 2.94Å; E195-E198 PolarHBondContact O-N 3.23Å; E195-M199 PolarHBondContact O-N 2.92Å |
| 196 | Q | 85 | Confident | 84.5 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 175 | -72 | 174.8 | -1.4 | 0 | 0 | 111.7 | M192 M199 I200 | M192-Q196 WeakPolarHBondContact O-CG 3.34Å; M192-Q196 PolarHBondContact O-N 3.13Å; Q196-M199 PolarHBondContact O-N 3.18Å; Q196-I200 WeakPolarHBondContact O-CG1 3.15Å; Q196-I200 PolarHBondContact O-N 3.37Å; Q196-I200 VanDerWaalsContact O-N 3.12Å |
| 197 | A | 87.9 | Confident | 84.3 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K193 I194 E195 M199 I200 I201 I300 | K193-A197 WeakPolarHBondContact O-CB 3.41Å; K193-A197 PolarHBondContact O-N 3.02Å; K193-A197 VanDerWaalsContact O-N 3.12Å; I194-A197 PolarHBondContact O-N 3.5Å; E195-A197 PolarHBondContact O-N 2.94Å; A197-M199 VanDerWaalsContact C-N 3.34Å; A197-M199 PolarHBondContact O-N 2.85Å; A197-I200 PolarHBondContact O-N 3.37Å; A197-I201 WeakPolarHBondContact O-CD1 3.38Å; A197-I201 WeakPolarHBondContact O-CG1 3.44Å; A197-I201 PolarHBondContact O-N 3.04Å; A197-I201 VanDerWaalsContact O-N 3.15Å; A197-I300 HydrophobicContact CB-CD1 3.74Å |
| 198 | E | 86.4 | Confident | 84.1 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 172.7 | -73.8 | -175.9 | 155.7 | 0 | 0 | 111.4 | I194 E195 I201 N202 I300 K304 | I194-E198 WeakPolarHBondContact O-CG 3.44Å; I194-E198 PolarHBondContact O-N 3.25Å; E195-E198 PolarHBondContact O-N 3.23Å; E198-I201 PolarHBondContact O-N 2.74Å; E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 PolarHBondContact O-N 2.66Å; E198-N202 PolarHBondContact O-ND2 2.57Å; E198-N202 VanDerWaalsContact O-ND2 3.15Å; E198-I300 HydrophobicContact CG-CG2 3.49Å; E198-I300 VanDerWaalsContact CG-CG2 3.49Å; E198-K304 WeakPolarHBondContact OE1-CD 3.37Å; E198-K304 IonicContact OE1-NZ 2.66Å; E198-K304 PolarHBondContact OE1-NZ 3.04Å; E198-K304 IonicContact OE2-NZ 3.62Å; E198-K304 PolarHBondContact OE2-NZ 2.83Å |
| 199 | M | 83.5 | Confident | 83.3 | Confident | 112 Ų | 112 | 66.1 Ų | 66.1 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.6 | -50.4 | 177.9 | -175.9 | -179.1 | 71.7 | 0 | 0 | 111.9 | E195 Q196 A197 I201 N202 N203 | E195-M199 PolarHBondContact O-N 2.92Å; Q196-M199 PolarHBondContact O-N 3.18Å; A197-M199 VanDerWaalsContact C-N 3.34Å; A197-M199 PolarHBondContact O-N 2.85Å; M199-I201 VanDerWaalsContact C-N 3.3Å; M199-I201 PolarHBondContact O-N 3.5Å; M199-N202 PolarHBondContact O-N 3.01Å; M199-N203 WeakPolarHBondContact O-CB 3.02Å; M199-N203 PolarHBondContact O-N 3.39Å; M199-N203 PolarHBondContact O-OD1 3.37Å |
| 200 | I | 90.4 | Very high | 81.8 | Confident | 99 Ų | 99 | 69.2 Ų | 69.2 | 51% | 0.508 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.9 | -42 | -179.6 | -67.2 | 164.8 | 0 | 0 | 0 | 111.3 | Q196 A197 L204 | Q196-I200 WeakPolarHBondContact O-CG1 3.15Å; Q196-I200 PolarHBondContact O-N 3.37Å; Q196-I200 VanDerWaalsContact O-N 3.12Å; A197-I200 PolarHBondContact O-N 3.37Å; I200-L204 HydrophobicContact CG2-CD1 4.31Å; I200-L204 WeakPolarHBondContact O-CG 3.41Å; I200-L204 PolarHBondContact O-N 2.83Å |
| 201 | I | 89.4 | Confident | 79.9 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 5% | 0.051 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -75.8 | -36.7 | -177.6 | -68.9 | 157.3 | 0 | 0 | 0 | 112 | A197 E198 M199 N203 L204 I205 L296 A297 I300 | A197-I201 WeakPolarHBondContact O-CD1 3.38Å; A197-I201 WeakPolarHBondContact O-CG1 3.44Å; A197-I201 PolarHBondContact O-N 3.04Å; A197-I201 VanDerWaalsContact O-N 3.15Å; E198-I201 PolarHBondContact O-N 2.74Å; M199-I201 VanDerWaalsContact C-N 3.3Å; M199-I201 PolarHBondContact O-N 3.5Å; I201-N203 VanDerWaalsContact C-N 3.33Å; I201-L204 PolarHBondContact O-N 3.44Å; I201-I205 HydrophobicContact CG2-CD1 3.73Å; I201-I205 HydrophobicContact CG2-CG1 4.32Å; I201-I205 VanDerWaalsContact O-CG1 3.3Å; I201-I205 WeakPolarHBondContact O-CG1 3.48Å; I201-I205 PolarHBondContact O-N 2.72Å; I201-L296 HydrophobicContact CD1-CB 4.19Å; I201-L296 HydrophobicContact CD1-CD2 3.46Å; I201-L296 VanDerWaalsContact CD1-CD2 3.46Å; I201-L296 HydrophobicContact CD1-CG 3.53Å; I201-L296 HydrophobicContact CG1-CD2 3.99Å; I201-L296 HydrophobicContact CG1-CG 4.46Å; I201-A297 HydrophobicContact CG2-CB 3.89Å; I201-I300 HydrophobicContact CD1-CD1 3.19Å |
| 202 | N | 86.3 | Confident | 77.8 | Confident | 94 Ų | 94 | 74.7 Ų | 74.7 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 172.8 | -69.5 | -24.6 | 0 | 0 | 0 | 110.3 | E198 M199 L204 I205 E206 | E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 PolarHBondContact O-N 2.66Å; E198-N202 PolarHBondContact O-ND2 2.57Å; E198-N202 VanDerWaalsContact O-ND2 3.15Å; M199-N202 PolarHBondContact O-N 3.01Å; N202-L204 VanDerWaalsContact C-N 3.29Å; N202-L204 PolarHBondContact O-N 2.74Å; N202-I205 PolarHBondContact O-N 3.06Å; N202-I205 VanDerWaalsContact O-N 3.16Å; N202-E206 WeakPolarHBondContact O-CB 3.48Å; N202-E206 PolarHBondContact O-N 3.15Å |
| 203 | N | 84.6 | Confident | 75.5 | Confident | 77 Ų | 77 | 80.2 Ų | 80.2 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.4 | -35.4 | 176 | -64.3 | 2 | 0 | 0 | 0 | 112.4 | M199 I201 K207 | M199-N203 WeakPolarHBondContact O-CB 3.02Å; M199-N203 PolarHBondContact O-N 3.39Å; M199-N203 PolarHBondContact O-OD1 3.37Å; I201-N203 VanDerWaalsContact C-N 3.33Å; N203-K207 WeakPolarHBondContact O-CB 3.4Å; N203-K207 VanDerWaalsContact O-CG 3.28Å; N203-K207 WeakPolarHBondContact O-CG 3.33Å; N203-K207 PolarHBondContact O-N 3.37Å; N203-K207 VanDerWaalsContact O-N 3.13Å |
| 204 | L | 83.6 | Confident | 73 | Confident | 73 Ų | 73 | 85.2 Ų | 85.2 | 38% | 0.382 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.2 | -43.7 | 173.4 | -75.7 | 170.8 | 0 | 0 | 0 | 112.1 | I200 I201 N202 E206 K207 F208 | I200-L204 HydrophobicContact CG2-CD1 4.31Å; I200-L204 WeakPolarHBondContact O-CG 3.41Å; I200-L204 PolarHBondContact O-N 2.83Å; I201-L204 PolarHBondContact O-N 3.44Å; N202-L204 VanDerWaalsContact C-N 3.29Å; N202-L204 PolarHBondContact O-N 2.74Å; L204-E206 VanDerWaalsContact C-N 3.35Å; L204-K207 PolarHBondContact O-N 2.76Å; L204-F208 WeakPolarHBondContact O-CD2 3.46Å; L204-F208 PolarHBondContact O-N 3.47Å |
| 205 | I | 83.3 | Confident | 70.5 | Confident | 34 Ų | 34 | 92.8 Ų | 92.8 | 17% | 0.174 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 178.3 | -69.4 | 167.8 | 0 | 0 | 0 | 110.6 | I201 N202 F208 A209 L290 C293 A297 | I201-I205 HydrophobicContact CG2-CD1 3.73Å; I201-I205 HydrophobicContact CG2-CG1 4.32Å; I201-I205 VanDerWaalsContact O-CG1 3.3Å; I201-I205 WeakPolarHBondContact O-CG1 3.48Å; I201-I205 PolarHBondContact O-N 2.72Å; N202-I205 PolarHBondContact O-N 3.06Å; N202-I205 VanDerWaalsContact O-N 3.16Å; I205-F208 CarbonylContact O-C 3.5Å; I205-F208 PolarHBondContact O-N 3.36Å; I205-F208 VanDerWaalsContact O-N 3.11Å; I205-A209 WeakPolarHBondContact O-CB 3.5Å; I205-A209 PolarHBondContact O-N 3.05Å; I205-L290 HydrophobicContact CG1-CD1 4.43Å; I205-L290 HydrophobicContact CG2-CD1 4.49Å; I205-C293 HydrophobicContact CD1-CB 4.36Å; I205-C293 HydrophobicContact CG1-CB 3.88Å; I205-A297 HydrophobicContact CD1-CB 4.32Å |
| 206 | E | 79.7 | Confident | 68.1 | Low | 114 Ų | 114 | 95.4 Ų | 95.4 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 175.7 | -171.8 | 163.1 | -142 | 0 | 0 | 111.3 | N202 L204 F208 A209 E210 | N202-E206 WeakPolarHBondContact O-CB 3.48Å; N202-E206 PolarHBondContact O-N 3.15Å; L204-E206 VanDerWaalsContact C-N 3.35Å; E206-F208 PolarHBondContact O-N 3.48Å; E206-F208 VanDerWaalsContact O-N 3.13Å; E206-A209 WeakPolarHBondContact O-CA 3.11Å; E206-A209 WeakPolarHBondContact O-CB 3.44Å; E206-A209 PolarHBondContact O-N 2.92Å; E206-E210 PolarHBondContact O-N 2.98Å |
| 207 | K | 77.3 | Confident | 65.3 | Low | 163 Ų | 163 | 94.1 Ų | 94.1 | 71% | 0.709 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -16.2 | 172 | -73.9 | 180 | 178.7 | -166.9 | 0 | 115.1 | N203 L204 | N203-K207 WeakPolarHBondContact O-CB 3.4Å; N203-K207 VanDerWaalsContact O-CG 3.28Å; N203-K207 WeakPolarHBondContact O-CG 3.33Å; N203-K207 PolarHBondContact O-N 3.37Å; N203-K207 VanDerWaalsContact O-N 3.13Å; L204-K207 PolarHBondContact O-N 2.76Å |
| 208 | F | 72.4 | Confident | 62.9 | Low | 59 Ų | 59 | 97.7 Ų | 97.7 | 26% | 0.259 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -98.5 | -10.8 | 169.8 | -72.1 | -57.8 | 0 | 0 | 0 | 113.6 | L204 I205 E206 L282 L289 L290 | L204-F208 WeakPolarHBondContact O-CD2 3.46Å; L204-F208 PolarHBondContact O-N 3.47Å; I205-F208 CarbonylContact O-C 3.5Å; I205-F208 PolarHBondContact O-N 3.36Å; I205-F208 VanDerWaalsContact O-N 3.11Å; E206-F208 PolarHBondContact O-N 3.48Å; E206-F208 VanDerWaalsContact O-N 3.13Å; F208-L282 HydrophobicContact CB-CD2 4.37Å; F208-L282 HydrophobicContact CD1-CD2 4Å; F208-L282 HydrophobicContact CG-CD2 4.45Å; F208-L289 HydrophobicContact CE1-CD2 4.49Å; F208-L289 HydrophobicContact CE2-CD2 4.11Å; F208-L289 HydrophobicContact CE2-CG 4.03Å; F208-L289 HydrophobicContact CZ-CD2 3.55Å; F208-L289 HydrophobicContact CZ-CG 3.91Å; F208-L290 HydrophobicContact CB-CD1 3.95Å; F208-L290 HydrophobicContact CD2-CD1 4.36Å; F208-L290 HydrophobicContact CG-CD1 4.46Å |
| 209 | A | 64.8 | Low | 60.6 | Low | 77 Ų | 77 | 102.8 Ų | 102.8 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -93.9 | -28.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I205 E206 P211 | I205-A209 WeakPolarHBondContact O-CB 3.5Å; I205-A209 PolarHBondContact O-N 3.05Å; E206-A209 WeakPolarHBondContact O-CA 3.11Å; E206-A209 WeakPolarHBondContact O-CB 3.44Å; E206-A209 PolarHBondContact O-N 2.92Å; A209-P211 WeakPolarHBondContact O-CD 3.39Å |
| 210 | E | 53.1 | Low | 58.2 | Low | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -71.1 | 123.1 | 170.6 | -67.4 | -168.8 | 145.9 | 0 | 0 | 110.9 | E206 S212 | E206-E210 PolarHBondContact O-N 2.98Å; E210-S212 PolarHBondContact O-N 3.34Å; E210-S212 VanDerWaalsContact O-N 3.09Å |
| 211 | P | 42.5 | Very low | 55.2 | Low | 99 Ų | 99 | 105.2 Ų | 105.2 | 64% | 0.643 | 56% | 0.557 | S | S | * | * | trans | -87.9 | 53.4 | -178.5 | 36.9 | -36 | 0 | 0 | 0 | 111.9 | A209 Y280 | A209-P211 WeakPolarHBondContact O-CD 3.39Å; P211-Y280 HydrophobicContact CB-CD1 4.12Å; P211-Y280 HydrophobicContact CB-CE1 4.28Å | ||
| 212 | S | 39.4 | Very low | 52.3 | Low | 94 Ų | 94 | 109.8 Ų | 109.8 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | trans | -144.8 | 165.5 | -177.9 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | E210 | E210-S212 PolarHBondContact O-N 3.34Å; E210-S212 VanDerWaalsContact O-N 3.09Å | ||
| 213 | D | 37.2 | Very low | 49.7 | Very low | 122 Ų | 122 | 111.5 Ų | 111.5 | 65% | 0.652 | 60% | 0.597 | S | S | * | * | trans | 65.4 | 56.4 | 166.8 | -65.1 | 3.7 | 0 | 0 | 0 | 119.2 | Y215 | D213-Y215 VanDerWaalsContact C-N 3.27Š| ||
| 214 | M | 34.2 | Very low | 47 | Very low | 191 Ų | 191 | 114.2 Ų | 114.2 | 94% | 0.941 | 61% | 0.611 | S | S | * | * | -88 | 4.9 | 127 | -90.7 | -151.3 | 72.7 | 0 | 0 | 113.2 | T216 | M214-T216 PolarHBondContact O-N 3.33Å; M214-T216 VanDerWaalsContact O-N 3.14Å | |||
| 215 | Y | 34.3 | Very low | 44.4 | Very low | 182 Ų | 182 | 117.9 Ų | 117.9 | 71% | 0.714 | 63% | 0.631 | S | S | * | * | trans | -66.7 | 103.7 | 155 | -78.7 | -90 | 0 | 0 | 0 | 108.8 | D213 S217 | D213-Y215 VanDerWaalsContact C-N 3.27Å; Y215-S217 VanDerWaalsContact C-N 3.26Å; Y215-S217 PolarHBondContact O-N 3.15Å | ||
| 216 | T | 34.3 | Very low | 41.7 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 80% | 0.798 | 66% | 0.66 | S | S | * | * | trans | -59 | 102.4 | 142 | 47.8 | 0 | 0 | 0 | 0 | 105.9 | M214 V218 | M214-T216 PolarHBondContact O-N 3.33Å; M214-T216 VanDerWaalsContact O-N 3.14Å; T216-V218 PolarHBondContact O-N 3.11Å | ||
| 217 | S | 27.5 | Very low | 39.2 | Very low | 40 Ų | 40 | 125.5 Ų | 125.5 | 28% | 0.28 | 67% | 0.674 | S | S | . | * | trans | -56.5 | 135.4 | -176.4 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | Y215 E219 N220 | Y215-S217 VanDerWaalsContact C-N 3.26Å; Y215-S217 PolarHBondContact O-N 3.15Å; S217-E219 PolarHBondContact O-N 3.13Å; S217-E219 VanDerWaalsContact O-N 3.09Å; S217-N220 PolarHBondContact O-N 2.83Å; S217-N220 VanDerWaalsContact O-N 3.11Å; S217-N220 PolarHBondContact OG-ND2 2.96Å; S217-N220 VanDerWaalsContact OG-ND2 3.12Å | ||
| 218 | V | 36.3 | Very low | 36.6 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -60.2 | -19.3 | 177 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | T216 N220 L221 | T216-V218 PolarHBondContact O-N 3.11Å; V218-N220 PolarHBondContact O-N 3.16Å; V218-N220 VanDerWaalsContact O-N 3.15Å; V218-L221 PolarHBondContact O-N 3.42Å |
| 219 | E | 39.3 | Very low | 34.3 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -62.5 | -12.9 | 174.1 | -60.1 | 177.3 | 152.6 | 0 | 0 | 114.5 | S217 | S217-E219 PolarHBondContact O-N 3.13Å; S217-E219 VanDerWaalsContact O-N 3.09Å |
| 220 | N | 31.9 | Very low | 32.2 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -92.1 | 4.1 | 171.1 | -73.4 | -68.4 | 0 | 0 | 0 | 113.8 | S217 V218 | S217-N220 PolarHBondContact O-N 2.83Å; S217-N220 VanDerWaalsContact O-N 3.11Å; S217-N220 PolarHBondContact OG-ND2 2.96Å; S217-N220 VanDerWaalsContact OG-ND2 3.12Å; V218-N220 PolarHBondContact O-N 3.16Å; V218-N220 VanDerWaalsContact O-N 3.15Å |
| 221 | L | 28.8 | Very low | 30.8 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 64% | 0.644 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -89.1 | 132.3 | 152.4 | -83.8 | 130.3 | 0 | 0 | 0 | 107.7 | V218 N223 | V218-L221 PolarHBondContact O-N 3.42Å; L221-N223 PolarHBondContact O-N 3.34Å |
| 222 | P | 28.4 | Very low | 30 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | trans | -58 | 125.7 | -177.1 | 22.4 | -32.5 | 0 | 0 | 0 | 110.4 | D224 | P222-D224 PolarHBondContact O-N 2.88Š| ||
| 223 | N | 29.9 | Very low | 29.2 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | trans | -73.8 | 30.9 | -172 | -82.6 | -35.8 | 0 | 0 | 0 | 114.4 | L221 | L221-N223 PolarHBondContact O-N 3.34Š| ||
| 224 | D | 28.1 | Very low | 28.7 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | -80.9 | 122.2 | 176.2 | -69 | -27.4 | 0 | 0 | 0 | 110.3 | P222 | P222-D224 PolarHBondContact O-N 2.88Š| ||
| 225 | N | 28.6 | Very low | 28.1 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 90.6 | 49.1 | 169.4 | -46 | -66.6 | 0 | 0 | 0 | 119.2 | ||
| 226 | L | 27.3 | Very low | 27.6 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | trans | -133.6 | 50.5 | 152.2 | -77.3 | -177.4 | 0 | 0 | 0 | 113.2 | F228 | L226-F228 VanDerWaalsContact C-N 3.28Å; L226-F228 HydrophobicContact CD2-CE2 4.43Å; L226-F228 PolarHBondContact O-N 3Å | ||
| 227 | L | 26.8 | Very low | 27.3 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | -77.2 | 79.5 | 172.5 | -142.8 | 166.1 | 0 | 0 | 0 | 110.4 | C229 | L227-C229 HydrophobicContact CD2-CB 4.36Å; L227-C229 PolarHBondContact O-N 3.13Å | ||
| 228 | F | 24 | Very low | 27.2 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 79% | 0.789 | 75% | 0.747 | S | S | * | * | trans | -68.2 | 117.3 | 166.3 | -97.8 | -97 | 0 | 0 | 0 | 109.6 | L226 | L226-F228 VanDerWaalsContact C-N 3.28Å; L226-F228 HydrophobicContact CD2-CE2 4.43Å; L226-F228 PolarHBondContact O-N 3Å | ||
| 229 | C | 22.7 | Very low | 26.9 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | trans | -143.3 | 97.5 | 161.9 | -94.6 | 0 | 0 | 0 | 0 | 111.8 | L227 | L227-C229 HydrophobicContact CD2-CB 4.36Å; L227-C229 PolarHBondContact O-N 3.13Å | ||
| 230 | N | 22.5 | Very low | 26.3 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 23.9 | 105.9 | 147.5 | -67 | -19.3 | 0 | 0 | 0 | 120.2 | H232 | N230-H232 PolarHBondContact O-N 3.09Š| ||
| 231 | I | 21.9 | Very low | 26.2 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | 2.2 | 113.5 | 118.9 | -56.2 | 165.7 | 0 | 0 | 0 | 114.2 | |||||
| 232 | H | 26.6 | Very low | 26.2 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | -129.6 | 126.4 | 152.1 | -107.6 | -82.1 | 0 | 0 | 0 | 110 | N230 | N230-H232 PolarHBondContact O-N 3.09Š| ||
| 233 | N | 22.4 | Very low | 26 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -90.1 | 129.6 | 179.4 | -66.2 | -53.3 | 0 | 0 | 0 | 111.2 | ||||
| 234 | T | 26.4 | Very low | 26.2 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -162.4 | 102.7 | 154 | 41.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 235 | S | 22.5 | Very low | 26.2 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | 80.7 | 129.1 | 76.8 | 74.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 236 | N | 22.9 | Very low | 26 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | 82.1 | 148.4 | 158.6 | -52.5 | -19.3 | 0 | 0 | 0 | 118.8 | ||||
| 237 | G | 27.7 | Very low | 26.1 | Very low | 66 Ų | 66 | 146.4 Ų | 146.4 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | 116.2 | 61.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 238 | D | 25.8 | Very low | 26 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | 49.5 | 105.5 | 105.5 | -67.5 | -44.2 | 0 | 0 | 0 | 117.2 | |||||
| 239 | N | 29.7 | Very low | 26.1 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | 165.3 | 121.5 | 107.6 | -90.3 | -77.5 | 0 | 0 | 0 | 114 | |||||
| 240 | K | 27.2 | Very low | 26.2 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | 44.6 | 106.4 | 132 | -55.6 | 169.4 | -174.5 | 144.3 | 0 | 119.6 | ||||
| 241 | K | 30 | Very low | 26.4 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | 172.4 | 160.2 | 105.6 | -93.4 | 163.6 | -177.2 | 177.7 | 0 | 113.7 | |||||
| 242 | S | 28 | Very low | 26.8 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | 64.5 | 117 | 169.5 | 37.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 243 | L | 25 | Very low | 26.8 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -89.3 | -174.4 | 165.4 | -145 | 80.6 | 0 | 0 | 0 | 109.1 | ||||
| 244 | P | 33.2 | Very low | 26.9 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | -117.1 | 173.1 | -107.1 | 41 | -25.9 | 0 | 0 | 0 | 113.6 | |||||
| 245 | N | 28.3 | Very low | 27 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -155 | 146.4 | 130.4 | -140.4 | -17.3 | 0 | 0 | 0 | 112.9 | ||||
| 246 | E | 25.4 | Very low | 27.2 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -80.2 | 143.7 | -179.4 | -56.9 | 177.9 | 147.8 | 0 | 0 | 111.4 | ||||
| 247 | K | 29.1 | Very low | 27.6 | Very low | 205 Ų | 205 | 139.1 Ų | 139.1 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | -165 | 112.5 | 126.1 | -106.9 | 158.8 | -170.4 | 177.2 | 0 | 111.6 | L249 | K247-L249 PolarHBondContact O-N 3.12Š| |||
| 248 | S | 24.1 | Very low | 27.8 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -62 | 124.2 | 168 | 51.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 249 | L | 26.9 | Very low | 28.3 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -138.9 | 124.3 | 146.7 | -159.8 | 67.9 | 0 | 0 | 0 | 109.6 | K247 | K247-L249 PolarHBondContact O-N 3.12Š| ||
| 250 | S | 25.2 | Very low | 28.7 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -71.6 | 126.7 | -177.9 | 50 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 251 | N | 26.8 | Very low | 29.8 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -106.5 | 135.5 | 156.9 | -87.4 | -15.1 | 0 | 0 | 0 | 109.5 | ||||
| 252 | P | 29.5 | Very low | 30.5 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -77.2 | 154.1 | -175.1 | 31.4 | -35.1 | 0 | 0 | 0 | 112.9 | H254 | P252-H254 PolarHBondContact O-N 3.11Š| ||
| 253 | S | 26 | Very low | 31.2 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -62.4 | 125 | -177.2 | 50.7 | 0 | 0 | 0 | 0 | 114.2 | T255 | S253-T255 PolarHBondContact O-N 3.15Å; S253-T255 VanDerWaalsContact O-N 3.08Å | ||
| 254 | H | 25.4 | Very low | 32.2 | Very low | 193 Ų | 193 | 128.3 Ų | 128.3 | 89% | 0.894 | 72% | 0.722 | S | S | * | * | trans | -72.9 | 90.1 | 161.4 | -82.3 | -107.1 | 0 | 0 | 0 | 110.6 | P252 S256 | P252-H254 PolarHBondContact O-N 3.11Å; H254-S256 PolarHBondContact O-N 3.09Å | ||
| 255 | T | 28 | Very low | 33.1 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | trans | -81.5 | 99.9 | 161.2 | 45.1 | 0 | 0 | 0 | 0 | 109.3 | S253 V257 | S253-T255 PolarHBondContact O-N 3.15Å; S253-T255 VanDerWaalsContact O-N 3.08Å; T255-V257 PolarHBondContact O-N 2.97Å | ||
| 256 | S | 26.9 | Very low | 34.3 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | trans | -65.4 | 112.2 | 172.2 | 40.9 | 0 | 0 | 0 | 0 | 110.3 | H254 S258 | H254-S256 PolarHBondContact O-N 3.09Å; S256-S258 PolarHBondContact O-N 3.41Å | ||
| 257 | V | 30.6 | Very low | 35.2 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | trans | -79.6 | 104.4 | -177.9 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | T255 L259 | T255-V257 PolarHBondContact O-N 2.97Å; V257-L259 PolarHBondContact O-N 3.21Å | ||
| 258 | S | 33.5 | Very low | 36 | Very low | 77 Ų | 77 | 118.7 Ų | 118.7 | 54% | 0.538 | 67% | 0.673 | S | S | . | * | trans | -57 | 123.3 | 164 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | S256 F260 | S256-S258 PolarHBondContact O-N 3.41Å; S258-F260 PolarHBondContact O-N 2.86Å | ||
| 259 | L | 36.4 | Very low | 37.3 | Very low | 172 Ų | 172 | 118 Ų | 118 | 90% | 0.901 | 66% | 0.664 | S | S | * | * | trans | -76.6 | 62.2 | -171.8 | -73.2 | 162.8 | 0 | 0 | 0 | 112.7 | V257 | V257-L259 PolarHBondContact O-N 3.21Š| ||
| 260 | F | 37 | Very low | 38.2 | Very low | 123 Ų | 123 | 114 Ų | 114 | 54% | 0.539 | 64% | 0.641 | S | S | . | * | trans | -75.8 | 135.3 | 154.1 | -81.1 | -86.1 | 0 | 0 | 0 | 109.2 | S258 F264 | S258-F260 PolarHBondContact O-N 2.86Å; F260-F264 HydrophobicContact CD1-CD1 4.04Å; F260-F264 HydrophobicContact CE1-CD1 4.43Å | ||
| 261 | S | 51.2 | Low | 39.4 | Very low | 65 Ų | 65 | 112 Ų | 112 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | trans | -50.5 | 129.3 | 169.3 | 174.3 | 0 | 0 | 0 | 0 | 109 | I263 F264 K265 | S261-I263 PolarHBondContact O-N 2.91Å; S261-F264 PolarHBondContact O-N 3.18Å; S261-K265 PolarHBondContact O-N 2.98Å | ||
| 262 | P | 43.7 | Very low | 40.5 | Very low | 101 Ų | 101 | 112 Ų | 112 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59 | -24.5 | -176.1 | 21.6 | -32.2 | 0 | 0 | 0 | 112.3 | F264 K265 L266 | P262-F264 VanDerWaalsContact C-N 3.34Å; P262-F264 PolarHBondContact O-N 3.37Å; P262-K265 PolarHBondContact O-N 3.07Å; P262-L266 WeakPolarHBondContact O-CB 3.45Å; P262-L266 PolarHBondContact O-N 3.01Å |
| 263 | I | 42.6 | Very low | 41.6 | Very low | 116 Ų | 116 | 111.4 Ų | 111.4 | 60% | 0.595 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.1 | -42.5 | 172.4 | -56.8 | 173.9 | 0 | 0 | 0 | 111.3 | S261 L266 L267 | S261-I263 PolarHBondContact O-N 2.91Å; I263-L266 WeakPolarHBondContact O-CB 2.92Å; I263-L266 PolarHBondContact O-N 3.08Å; I263-L267 HydrophobicContact CG2-CD1 4.19Å; I263-L267 WeakPolarHBondContact O-CG 3.43Å; I263-L267 PolarHBondContact O-N 3.34Å |
| 264 | F | 46.8 | Very low | 42.9 | Very low | 106 Ų | 106 | 113 Ų | 113 | 47% | 0.465 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.2 | -38.1 | -177.9 | -161.7 | -100.8 | 0 | 0 | 0 | 112 | F260 S261 P262 L266 L267 L268 | F260-F264 HydrophobicContact CD1-CD1 4.04Å; F260-F264 HydrophobicContact CE1-CD1 4.43Å; S261-F264 PolarHBondContact O-N 3.18Å; P262-F264 VanDerWaalsContact C-N 3.34Å; P262-F264 PolarHBondContact O-N 3.37Å; F264-L266 VanDerWaalsContact C-N 3.34Å; F264-L267 PolarHBondContact O-N 3.22Å; F264-L268 HydrophobicContact CD1-CD1 3.88Å; F264-L268 HydrophobicContact CD1-CG 4.33Å; F264-L268 HydrophobicContact CE1-CD1 3.74Å; F264-L268 HydrophobicContact CE1-CG 4.16Å; F264-L268 WeakPolarHBondContact O-CG 3.4Å; F264-L268 PolarHBondContact O-N 3.08Å |
| 265 | K | 51.9 | Low | 43.8 | Very low | 115 Ų | 115 | 105.6 Ų | 105.6 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.2 | -41.2 | 168.1 | -87.3 | -178.6 | 173.1 | 172.7 | 0 | 111.8 | S261 P262 L267 L268 T269 | S261-K265 PolarHBondContact O-N 2.98Å; P262-K265 PolarHBondContact O-N 3.07Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.49Å; K265-L268 PolarHBondContact O-N 2.91Å; K265-T269 WeakPolarHBondContact O-CG2 3.47Å; K265-T269 PolarHBondContact O-N 2.98Å; K265-T269 VanDerWaalsContact O-N 3.16Å; K265-T269 PolarHBondContact O-OG1 2.95Å |
| 266 | L | 53.2 | Low | 45 | Very low | 116 Ų | 116 | 104 Ų | 104 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.9 | -35.4 | 178.2 | -145.8 | 87.6 | 0 | 0 | 0 | 112.3 | P262 I263 F264 T269 Q270 | P262-L266 WeakPolarHBondContact O-CB 3.45Å; P262-L266 PolarHBondContact O-N 3.01Å; I263-L266 WeakPolarHBondContact O-CB 2.92Å; I263-L266 PolarHBondContact O-N 3.08Å; F264-L266 VanDerWaalsContact C-N 3.34Å; L266-T269 WeakPolarHBondContact CA-OG1 3.43Å; L266-T269 PolarHBondContact O-OG1 3.16Å; L266-Q270 WeakPolarHBondContact O-CG 3.3Å; L266-Q270 PolarHBondContact O-NE2 2.99Å |
| 267 | L | 43.4 | Very low | 46.1 | Very low | 77 Ų | 77 | 102.5 Ų | 102.5 | 40% | 0.403 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.8 | -50.3 | 173.9 | -73 | 166.3 | 0 | 0 | 0 | 111 | I263 F264 K265 T269 Q270 I275 | I263-L267 HydrophobicContact CG2-CD1 4.19Å; I263-L267 WeakPolarHBondContact O-CG 3.43Å; I263-L267 PolarHBondContact O-N 3.34Å; F264-L267 PolarHBondContact O-N 3.22Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.49Å; L267-T269 PolarHBondContact O-N 2.83Å; L267-Q270 PolarHBondContact O-N 2.79Å; L267-Q270 VanDerWaalsContact O-N 3.07Å; L267-I275 HydrophobicContact CB-CD1 3.96Å; L267-I275 HydrophobicContact CD2-CD1 3.6Å; L267-I275 HydrophobicContact CD2-CG1 4.04Å; L267-I275 HydrophobicContact CD2-CG2 4.18Å; L267-I275 HydrophobicContact CG-CD1 4.39Å; L267-I275 WeakPolarHBondContact O-CD1 3.46Å |
| 268 | L | 46.9 | Very low | 47 | Very low | 129 Ų | 129 | 102 Ų | 102 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.4 | -15.9 | 176.9 | -70.8 | 174.7 | 0 | 0 | 0 | 114.2 | F264 K265 | F264-L268 HydrophobicContact CD1-CD1 3.88Å; F264-L268 HydrophobicContact CD1-CG 4.33Å; F264-L268 HydrophobicContact CE1-CD1 3.74Å; F264-L268 HydrophobicContact CE1-CG 4.16Å; F264-L268 WeakPolarHBondContact O-CG 3.4Å; F264-L268 PolarHBondContact O-N 3.08Å; K265-L268 PolarHBondContact O-N 2.91Å |
| 269 | T | 51.3 | Low | 47.5 | Very low | 104 Ų | 104 | 104.9 Ų | 104.9 | 64% | 0.638 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -5.6 | 176 | 53.7 | 0 | 0 | 0 | 0 | 115.8 | K265 L266 L267 | K265-T269 WeakPolarHBondContact O-CG2 3.47Å; K265-T269 PolarHBondContact O-N 2.98Å; K265-T269 VanDerWaalsContact O-N 3.16Å; K265-T269 PolarHBondContact O-OG1 2.95Å; L266-T269 WeakPolarHBondContact CA-OG1 3.43Å; L266-T269 PolarHBondContact O-OG1 3.16Å; L267-T269 PolarHBondContact O-N 2.83Å |
| 270 | Q | 46 | Very low | 48.1 | Very low | 82 Ų | 82 | 104.2 Ų | 104.2 | 38% | 0.383 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -90.1 | 147.9 | 172.2 | -42.7 | -56.1 | -51.3 | 0 | 0 | 110.8 | L266 L267 I275 | L266-Q270 WeakPolarHBondContact O-CG 3.3Å; L266-Q270 PolarHBondContact O-NE2 2.99Å; L267-Q270 PolarHBondContact O-N 2.79Å; L267-Q270 VanDerWaalsContact O-N 3.07Å; Q270-I275 HydrophobicContact CB-CD1 3.56Å; Q270-I275 HydrophobicContact CB-CG1 3.91Å; Q270-I275 HydrophobicContact CG-CD1 3.73Å; Q270-I275 HydrophobicContact CG-CG1 4.15Å |
| 271 | S | 50.7 | Low | 49.2 | Very low | 63 Ų | 63 | 103.8 Ų | 103.8 | 44% | 0.441 | 54% | 0.541 | S | S | . | . | trans | -62.7 | 145.2 | 171.9 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | S273 Q274 | S271-S273 PolarHBondContact O-N 3.06Å; S271-S273 PolarHBondContact OG-OG 3.3Å; S271-Q274 PolarHBondContact O-N 3.01Å | ||
| 272 | E | 49.6 | Very low | 49.9 | Very low | 156 Ų | 156 | 103.3 Ų | 103.3 | 73% | 0.729 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -50.8 | -35.3 | -175.4 | -68.5 | 177.2 | 124.3 | 0 | 0 | 114 | Q274 I275 F276 | E272-Q274 PolarHBondContact O-N 3.5Å; E272-Q274 VanDerWaalsContact O-N 3.08Å; E272-I275 PolarHBondContact O-N 3.39Å; E272-F276 HydrophobicContact CB-CD2 4.05Å; E272-F276 HydrophobicContact CG-CD2 4.3Å; E272-F276 HydrophobicContact CG-CE2 4.4Å; E272-F276 WeakPolarHBondContact O-CD2 3.38Å; E272-F276 PolarHBondContact O-N 3.17Å |
| 273 | S | 53.4 | Low | 51.5 | Low | 100 Ų | 100 | 101.5 Ų | 101.5 | 70% | 0.699 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.3 | -18.1 | 178.1 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | S271 | S271-S273 PolarHBondContact O-N 3.06Å; S271-S273 PolarHBondContact OG-OG 3.3Å |
| 274 | Q | 51.5 | Low | 53 | Low | 135 Ų | 135 | 100.3 Ų | 100.3 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -105 | -18.2 | -176.4 | -65.6 | -172.3 | -0.4 | 0 | 0 | 114.3 | S271 E272 | S271-Q274 PolarHBondContact O-N 3.01Å; E272-Q274 PolarHBondContact O-N 3.5Å; E272-Q274 VanDerWaalsContact O-N 3.08Å |
| 275 | I | 46.2 | Very low | 54.2 | Low | 37 Ų | 37 | 99 Ų | 99 | 19% | 0.19 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -104.9 | -31.4 | 179.7 | -68.8 | 172.8 | 0 | 0 | 0 | 112.5 | L267 Q270 E272 P277 | L267-I275 HydrophobicContact CB-CD1 3.96Å; L267-I275 HydrophobicContact CD2-CD1 3.6Å; L267-I275 HydrophobicContact CD2-CG1 4.04Å; L267-I275 HydrophobicContact CD2-CG2 4.18Å; L267-I275 HydrophobicContact CG-CD1 4.39Å; L267-I275 WeakPolarHBondContact O-CD1 3.46Å; Q270-I275 HydrophobicContact CB-CD1 3.56Å; Q270-I275 HydrophobicContact CB-CG1 3.91Å; Q270-I275 HydrophobicContact CG-CD1 3.73Å; Q270-I275 HydrophobicContact CG-CG1 4.15Å; E272-I275 PolarHBondContact O-N 3.39Å; I275-P277 WeakPolarHBondContact O-CD 3.46Å |
| 276 | F | 51.2 | Low | 55.6 | Low | 79 Ų | 79 | 94.1 Ų | 94.1 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | trans | -107.5 | 26 | -161.4 | -56.1 | -73.2 | 0 | 0 | 0 | 118.8 | E272 L279 Y280 | E272-F276 HydrophobicContact CB-CD2 4.05Å; E272-F276 HydrophobicContact CG-CD2 4.3Å; E272-F276 HydrophobicContact CG-CE2 4.4Å; E272-F276 WeakPolarHBondContact O-CD2 3.38Å; E272-F276 PolarHBondContact O-N 3.17Å; F276-L279 HydrophobicContact CD1-CD1 4.02Å; F276-L279 HydrophobicContact CE1-CD1 4.11Å; F276-Y280 HydrophobicContact CB-CE2 4.05Å; F276-Y280 WeakPolarHBondContact O-CD2 3.49Å; F276-Y280 WeakPolarHBondContact O-CE2 3.43Å | ||
| 277 | P | 50.4 | Low | 56.9 | Low | 86 Ų | 86 | 95 Ų | 95 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -78.4 | -21.7 | 168.6 | 31.8 | -33.3 | 0 | 0 | 0 | 114 | I275 | I275-P277 WeakPolarHBondContact O-CD 3.46Š|
| 278 | D | 50.8 | Low | 58.7 | Low | 104 Ų | 104 | 98.3 Ų | 98.3 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -102.5 | -21.8 | -172.1 | -83.2 | -32.3 | 0 | 0 | 0 | 115.3 | K281 | D278-K281 WeakPolarHBondContact O-CB 3.41Å; D278-K281 PolarHBondContact O-N 2.77Å; D278-K281 WeakPolarHBondContact OD1-CD 3.2Å; D278-K281 WeakPolarHBondContact OD1-CE 3.4Å; D278-K281 IonicContact OD1-NZ 2.72Å; D278-K281 PolarHBondContact OD1-NZ 3.17Å |
| 279 | L | 44 | Very low | 60.5 | Low | 137 Ų | 137 | 96.2 Ų | 96.2 | 72% | 0.717 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -26.9 | 177.3 | -78.7 | 171 | 0 | 0 | 0 | 113.7 | F276 K281 | F276-L279 HydrophobicContact CD1-CD1 4.02Å; F276-L279 HydrophobicContact CE1-CD1 4.11Å; L279-K281 PolarHBondContact O-N 3.35Å |
| 280 | Y | 48.9 | Very low | 62.1 | Low | 157 Ų | 157 | 93 Ų | 93 | 62% | 0.616 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -7.3 | 170.8 | -64.6 | -69.7 | 0 | 0 | 0 | 113.5 | P211 F276 L282 | P211-Y280 HydrophobicContact CB-CD1 4.12Å; P211-Y280 HydrophobicContact CB-CE1 4.28Å; F276-Y280 HydrophobicContact CB-CE2 4.05Å; F276-Y280 WeakPolarHBondContact O-CD2 3.49Å; F276-Y280 WeakPolarHBondContact O-CE2 3.43Å; Y280-L282 PolarHBondContact O-N 3.34Å |
| 281 | K | 58.9 | Low | 64 | Low | 115 Ų | 115 | 94.4 Ų | 94.4 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -82.7 | 111.5 | 172.3 | -68.5 | 172.2 | -173.6 | 161.2 | 0 | 108.8 | D278 L279 S283 | D278-K281 WeakPolarHBondContact O-CB 3.41Å; D278-K281 PolarHBondContact O-N 2.77Å; D278-K281 WeakPolarHBondContact OD1-CD 3.2Å; D278-K281 WeakPolarHBondContact OD1-CE 3.4Å; D278-K281 IonicContact OD1-NZ 2.72Å; D278-K281 PolarHBondContact OD1-NZ 3.17Å; L279-K281 PolarHBondContact O-N 3.35Å; K281-S283 PolarHBondContact O-N 3.23Å |
| 282 | L | 66.5 | Low | 65.8 | Low | 55 Ų | 55 | 96.4 Ų | 96.4 | 29% | 0.288 | 50% | 0.498 | S | S | . | . | trans | -44 | 134.1 | 164.8 | -86.1 | 76.8 | 0 | 0 | 0 | 109.9 | F208 Y280 R287 L290 | F208-L282 HydrophobicContact CB-CD2 4.37Å; F208-L282 HydrophobicContact CD1-CD2 4Å; F208-L282 HydrophobicContact CG-CD2 4.45Å; Y280-L282 PolarHBondContact O-N 3.34Å; L282-R287 HydrophobicContact CB-CG 3.86Å; L282-R287 PolarHBondContact O-NE 2.98Å; L282-R287 PolarHBondContact O-NH2 2.89Å; L282-L290 HydrophobicContact CD2-CB 4.43Å; L282-L290 HydrophobicContact CD2-CD2 4.09Å | ||
| 283 | S | 77.2 | Confident | 67.6 | Low | 63 Ų | 63 | 89.5 Ų | 89.5 | 44% | 0.441 | 47% | 0.467 | S | S | . | . | trans | -46.2 | 149.9 | 172.1 | 168.1 | 0 | 0 | 0 | 0 | 111 | K281 S285 G286 R287 | K281-S283 PolarHBondContact O-N 3.23Å; S283-S285 PolarHBondContact O-N 3.21Å; S283-S285 PolarHBondContact OG-N 2.65Å; S283-S285 PolarHBondContact OG-OG 3.01Å; S283-G286 CarbonylContact O-C 3.26Å; S283-G286 WeakPolarHBondContact O-CA 3.34Å; S283-G286 PolarHBondContact O-N 3.36Å; S283-R287 PolarHBondContact O-N 3.48Å | ||
| 284 | P | 74.8 | Confident | 69.4 | Low | 90 Ų | 90 | 89.4 Ų | 89.4 | 58% | 0.584 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -51.2 | -27.5 | 170.6 | -27.4 | 35.8 | 0 | 0 | 0 | 114.1 | K288 | P284-K288 WeakPolarHBondContact O-CD 3.45Å; P284-K288 VanDerWaalsContact O-CG 3.26Å; P284-K288 WeakPolarHBondContact O-CG 3.5Å; P284-K288 PolarHBondContact O-N 3.41Å |
| 285 | S | 72.1 | Confident | 71.3 | Confident | 80 Ų | 80 | 91.2 Ų | 91.2 | 56% | 0.559 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -74.3 | -45.2 | 170.2 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | S283 R287 K288 L289 | S283-S285 PolarHBondContact O-N 3.21Å; S283-S285 PolarHBondContact OG-N 2.65Å; S283-S285 PolarHBondContact OG-OG 3.01Å; S285-R287 PolarHBondContact O-N 3.41Å; S285-K288 PolarHBondContact O-N 3.28Å; S285-L289 PolarHBondContact O-N 3.43Å |
| 286 | G | 81.7 | Confident | 73.4 | Confident | 12 Ų | 12 | 93.9 Ų | 93.9 | 12% | 0.124 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | S283 K288 L289 L290 | S283-G286 CarbonylContact O-C 3.26Å; S283-G286 WeakPolarHBondContact O-CA 3.34Å; S283-G286 PolarHBondContact O-N 3.36Å; G286-K288 PolarHBondContact O-N 3.05Å; G286-L289 PolarHBondContact O-N 3.47Å; G286-L290 WeakPolarHBondContact O-CB 3.23Å; G286-L290 PolarHBondContact O-N 3.06Å |
| 287 | R | 79.4 | Confident | 75.3 | Confident | 133 Ų | 133 | 91.2 Ų | 91.2 | 50% | 0.502 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 173.8 | -86.1 | -178.9 | -91.1 | 174.9 | -8 | 112.9 | L282 S283 S285 L289 L290 D291 | L282-R287 HydrophobicContact CB-CG 3.86Å; L282-R287 PolarHBondContact O-NE 2.98Å; L282-R287 PolarHBondContact O-NH2 2.89Å; S283-R287 PolarHBondContact O-N 3.48Å; S285-R287 PolarHBondContact O-N 3.41Å; R287-L289 VanDerWaalsContact C-N 3.34Å; R287-L290 PolarHBondContact O-N 3.35Å; R287-D291 WeakPolarHBondContact O-CB 3.44Å; R287-D291 PolarHBondContact O-N 2.95Å |
| 288 | K | 81.9 | Confident | 77.2 | Confident | 147 Ų | 147 | 92.4 Ų | 92.4 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.7 | -38.4 | 174 | -75.3 | 173.6 | -179.5 | -176.8 | 0 | 111.9 | P284 S285 G286 L292 | P284-K288 WeakPolarHBondContact O-CD 3.45Å; P284-K288 VanDerWaalsContact O-CG 3.26Å; P284-K288 WeakPolarHBondContact O-CG 3.5Å; P284-K288 PolarHBondContact O-N 3.41Å; S285-K288 PolarHBondContact O-N 3.28Å; G286-K288 PolarHBondContact O-N 3.05Å; K288-L292 VanDerWaalsContact O-CG 3.29Å; K288-L292 WeakPolarHBondContact O-CG 3.48Å; K288-L292 PolarHBondContact O-N 3.1Å |
| 289 | L | 83.5 | Confident | 79.1 | Confident | 85 Ų | 85 | 90.5 Ų | 90.5 | 45% | 0.445 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 177.6 | -176.8 | 53.5 | 0 | 0 | 0 | 111.8 | F208 S285 G286 R287 L292 C293 | F208-L289 HydrophobicContact CE1-CD2 4.49Å; F208-L289 HydrophobicContact CE2-CD2 4.11Å; F208-L289 HydrophobicContact CE2-CG 4.03Å; F208-L289 HydrophobicContact CZ-CD2 3.55Å; F208-L289 HydrophobicContact CZ-CG 3.91Å; S285-L289 PolarHBondContact O-N 3.43Å; G286-L289 PolarHBondContact O-N 3.47Å; R287-L289 VanDerWaalsContact C-N 3.34Å; L289-L292 WeakPolarHBondContact O-CB 3.44Å; L289-L292 PolarHBondContact O-N 3.16Å; L289-C293 PolarHBondContact O-N 3.27Å; L289-C293 PolarHBondContact O-SG 3.09Å |
| 290 | L | 84.8 | Confident | 81.3 | Confident | 37 Ų | 37 | 85 Ų | 85 | 19% | 0.194 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 174.3 | -178.9 | 58.7 | 0 | 0 | 0 | 112.3 | I205 F208 L282 G286 R287 C293 H294 | I205-L290 HydrophobicContact CG1-CD1 4.43Å; I205-L290 HydrophobicContact CG2-CD1 4.49Å; F208-L290 HydrophobicContact CB-CD1 3.95Å; F208-L290 HydrophobicContact CD2-CD1 4.36Å; F208-L290 HydrophobicContact CG-CD1 4.46Å; L282-L290 HydrophobicContact CD2-CB 4.43Å; L282-L290 HydrophobicContact CD2-CD2 4.09Å; G286-L290 WeakPolarHBondContact O-CB 3.23Å; G286-L290 PolarHBondContact O-N 3.06Å; R287-L290 PolarHBondContact O-N 3.35Å; L290-C293 WeakPolarHBondContact O-CB 3.47Å; L290-C293 PolarHBondContact O-N 3.28Å; L290-H294 PolarHBondContact O-CD2 2.99Å; L290-H294 PolarHBondContact O-N 3.5Å |
| 291 | D | 86.6 | Confident | 83.1 | Confident | 111 Ų | 111 | 85.8 Ų | 85.8 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 174 | -175.1 | 50.1 | 0 | 0 | 0 | 112 | R287 C293 H294 R295 | R287-D291 WeakPolarHBondContact O-CB 3.44Å; R287-D291 PolarHBondContact O-N 2.95Å; D291-C293 PolarHBondContact O-N 3.21Å; D291-H294 PolarHBondContact O-N 2.95Å; D291-R295 WeakPolarHBondContact O-CB 3.44Å; D291-R295 PolarHBondContact O-N 3.11Å |
| 292 | L | 87.9 | Confident | 84.6 | Confident | 106 Ų | 106 | 86.4 Ų | 86.4 | 56% | 0.555 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.8 | -40.9 | 172.1 | -71.1 | 169.2 | 0 | 0 | 0 | 112.3 | K288 L289 R295 L296 | K288-L292 VanDerWaalsContact O-CG 3.29Å; K288-L292 WeakPolarHBondContact O-CG 3.48Å; K288-L292 PolarHBondContact O-N 3.1Å; L289-L292 WeakPolarHBondContact O-CB 3.44Å; L289-L292 PolarHBondContact O-N 3.16Å; L292-R295 PolarHBondContact O-N 3.28Å; L292-L296 WeakPolarHBondContact O-CB 3.28Å; L292-L296 PolarHBondContact O-N 3.05Å |
| 293 | C | 88.5 | Confident | 85.6 | Confident | 11 Ų | 11 | 87 Ų | 87 | 7% | 0.074 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.4 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | I205 L289 L290 D291 R295 L296 A297 | I205-C293 HydrophobicContact CD1-CB 4.36Å; I205-C293 HydrophobicContact CG1-CB 3.88Å; L289-C293 PolarHBondContact O-N 3.27Å; L289-C293 PolarHBondContact O-SG 3.09Å; L290-C293 WeakPolarHBondContact O-CB 3.47Å; L290-C293 PolarHBondContact O-N 3.28Å; D291-C293 PolarHBondContact O-N 3.21Å; C293-R295 PolarHBondContact O-N 3.24Å; C293-L296 PolarHBondContact O-N 3.06Å; C293-A297 WeakPolarHBondContact O-CB 3.47Å; C293-A297 PolarHBondContact O-N 3.17Å |
| 294 | H | 90.9 | Very high | 86 | Confident | 97 Ų | 97 | 86.3 Ų | 86.3 | 45% | 0.449 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 175.3 | -75.4 | -47.5 | 0 | 0 | 0 | 112.6 | L290 D291 A297 F298 | L290-H294 PolarHBondContact O-CD2 2.99Å; L290-H294 PolarHBondContact O-N 3.5Å; D291-H294 PolarHBondContact O-N 2.95Å; H294-A297 PolarHBondContact O-N 2.98Å; H294-F298 PolarHBondContact O-N 3.46Å |
| 295 | R | 91.4 | Very high | 86.7 | Confident | 174 Ų | 174 | 86.6 Ų | 86.6 | 66% | 0.657 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 174.9 | -173.2 | 179 | -178.5 | 122.2 | 1.1 | 111.7 | D291 L292 C293 F298 D299 | D291-R295 WeakPolarHBondContact O-CB 3.44Å; D291-R295 PolarHBondContact O-N 3.11Å; L292-R295 PolarHBondContact O-N 3.28Å; C293-R295 PolarHBondContact O-N 3.24Å; R295-F298 WeakPolarHBondContact O-CB 3.42Å; R295-F298 PolarHBondContact O-N 3.45Å; R295-D299 PolarHBondContact O-N 3.31Å |
| 296 | L | 90.3 | Very high | 87.4 | Confident | 93 Ų | 93 | 88.2 Ų | 88.2 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 178.1 | -168.3 | 62.9 | 0 | 0 | 0 | 111.8 | I201 L292 C293 F298 D299 I300 | I201-L296 HydrophobicContact CD1-CB 4.19Å; I201-L296 HydrophobicContact CD1-CD2 3.46Å; I201-L296 VanDerWaalsContact CD1-CD2 3.46Å; I201-L296 HydrophobicContact CD1-CG 3.53Å; I201-L296 HydrophobicContact CG1-CD2 3.99Å; I201-L296 HydrophobicContact CG1-CG 4.46Å; L292-L296 WeakPolarHBondContact O-CB 3.28Å; L292-L296 PolarHBondContact O-N 3.05Å; C293-L296 PolarHBondContact O-N 3.06Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 2.96Å; L296-D299 PolarHBondContact O-N 3.05Å; L296-I300 HydrophobicContact CG-CD1 4.41Å; L296-I300 WeakPolarHBondContact O-CG1 3.22Å; L296-I300 PolarHBondContact O-N 3Å |
| 297 | A | 90 | Very high | 87.5 | Confident | 22 Ų | 22 | 88.7 Ų | 88.7 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60 | -38.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I201 I205 C293 H294 R301 | I201-A297 HydrophobicContact CG2-CB 3.89Å; I205-A297 HydrophobicContact CD1-CB 4.32Å; C293-A297 WeakPolarHBondContact O-CB 3.47Å; C293-A297 PolarHBondContact O-N 3.17Å; H294-A297 PolarHBondContact O-N 2.98Å; A297-R301 WeakPolarHBondContact O-CB 3.49Å; A297-R301 PolarHBondContact O-N 3.28Å |
| 298 | F | 90.9 | Very high | 87.7 | Confident | 112 Ų | 112 | 88.8 Ų | 88.8 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 175.5 | -179.2 | -92.3 | 0 | 0 | 0 | 112.1 | H294 R295 L296 I300 R301 R302 | H294-F298 PolarHBondContact O-N 3.46Å; R295-F298 WeakPolarHBondContact O-CB 3.42Å; R295-F298 PolarHBondContact O-N 3.45Å; L296-F298 VanDerWaalsContact C-N 3.31Å; L296-F298 PolarHBondContact O-N 2.96Å; F298-I300 VanDerWaalsContact C-N 3.34Å; F298-I300 PolarHBondContact O-N 3.04Å; F298-R301 PolarHBondContact O-N 3.11Å; F298-R302 WeakPolarHBondContact O-CB 3.49Å; F298-R302 PolarHBondContact O-N 2.96Å |
| 299 | D | 91.5 | Very high | 87.7 | Confident | 63 Ų | 63 | 85.9 Ų | 85.9 | 34% | 0.337 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.5 | -34.2 | 179.8 | -77.7 | -37.3 | 0 | 0 | 0 | 112.6 | R295 L296 R302 T303 | R295-D299 PolarHBondContact O-N 3.31Å; L296-D299 PolarHBondContact O-N 3.05Å; D299-R302 WeakPolarHBondContact O-CB 3.46Å; D299-R302 PolarHBondContact O-N 3.46Å; D299-T303 WeakPolarHBondContact O-CB 3.44Å; D299-T303 PolarHBondContact O-N 3.15Å; D299-T303 PolarHBondContact O-OG1 3.36Å |
| 300 | I | 90.2 | Very high | 87.5 | Confident | 21 Ų | 21 | 87.3 Ų | 87.3 | 11% | 0.108 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67 | -46.9 | 171.7 | -67.2 | 169.1 | 0 | 0 | 0 | 111.1 | I194 A197 E198 I201 L296 F298 R302 T303 K304 | I194-I300 HydrophobicContact CG2-CG2 3.91Å; A197-I300 HydrophobicContact CB-CD1 3.74Å; E198-I300 HydrophobicContact CG-CG2 3.49Å; E198-I300 VanDerWaalsContact CG-CG2 3.49Å; I201-I300 HydrophobicContact CD1-CD1 3.19Å; L296-I300 HydrophobicContact CG-CD1 4.41Å; L296-I300 WeakPolarHBondContact O-CG1 3.22Å; L296-I300 PolarHBondContact O-N 3Å; F298-I300 VanDerWaalsContact C-N 3.34Å; F298-I300 PolarHBondContact O-N 3.04Å; I300-R302 VanDerWaalsContact C-N 3.25Å; I300-R302 PolarHBondContact O-N 3.09Å; I300-T303 CarbonylContact O-C 3.58Å; I300-T303 WeakPolarHBondContact O-CA 3.45Å; I300-T303 WeakPolarHBondContact O-CB 3.45Å; I300-T303 PolarHBondContact O-N 3.11Å; I300-K304 WeakPolarHBondContact O-CB 3.42Å; I300-K304 PolarHBondContact O-N 3.45Å |
| 301 | R | 87.3 | Confident | 87.2 | Confident | 175 Ų | 175 | 88.5 Ų | 88.5 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -57.5 | -39.7 | 175.8 | -172.6 | -179.2 | -63.2 | 176.5 | 1.5 | 111.8 | A297 F298 N305 | A297-R301 WeakPolarHBondContact O-CB 3.49Å; A297-R301 PolarHBondContact O-N 3.28Å; F298-R301 PolarHBondContact O-N 3.11Å; R301-N305 PolarHBondContact O-N 3.2Å |
| 302 | R | 88.6 | Confident | 87 | Confident | 127 Ų | 127 | 90.2 Ų | 90.2 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 174.2 | -170.4 | -179.9 | -172.3 | -159.1 | 3.3 | 111.7 | F298 D299 I300 N305 K306 | F298-R302 WeakPolarHBondContact O-CB 3.49Å; F298-R302 PolarHBondContact O-N 2.96Å; D299-R302 WeakPolarHBondContact O-CB 3.46Å; D299-R302 PolarHBondContact O-N 3.46Å; I300-R302 VanDerWaalsContact C-N 3.25Å; I300-R302 PolarHBondContact O-N 3.09Å; R302-N305 PolarHBondContact O-N 2.9Å; R302-K306 WeakPolarHBondContact O-CG 3.46Å; R302-K306 PolarHBondContact O-N 3.46Å; R302-K306 VanDerWaalsContact O-N 3.11Å |
| 303 | T | 88.7 | Confident | 86.2 | Confident | 67 Ų | 67 | 90 Ų | 90 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.7 | I194 D299 I300 N305 K306 L307 | I194-T303 HydrophobicContact CD1-CG2 3.94Å; D299-T303 WeakPolarHBondContact O-CB 3.44Å; D299-T303 PolarHBondContact O-N 3.15Å; D299-T303 PolarHBondContact O-OG1 3.36Å; I300-T303 CarbonylContact O-C 3.58Å; I300-T303 WeakPolarHBondContact O-CA 3.45Å; I300-T303 WeakPolarHBondContact O-CB 3.45Å; I300-T303 PolarHBondContact O-N 3.11Å; T303-N305 VanDerWaalsContact C-N 3.31Å; T303-N305 PolarHBondContact O-N 3.23Å; T303-K306 WeakPolarHBondContact O-CB 3.5Å; T303-K306 PolarHBondContact O-N 3.13Å; T303-K306 VanDerWaalsContact O-N 3.15Å; T303-L307 PolarHBondContact O-N 3.01Å |
| 304 | K | 86.2 | Confident | 85.2 | Confident | 49 Ų | 49 | 93.7 Ų | 93.7 | 21% | 0.213 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 173.5 | -166.1 | 168.3 | -171.3 | 171.9 | 0 | 112.4 | I194 E198 I300 L307 R308 | I194-K304 HydrophobicContact CG2-CB 4.09Å; I194-K304 HydrophobicContact CG2-CD 4.02Å; I194-K304 HydrophobicContact CG2-CG 4.17Å; E198-K304 WeakPolarHBondContact OE1-CD 3.37Å; E198-K304 IonicContact OE1-NZ 2.66Å; E198-K304 PolarHBondContact OE1-NZ 3.04Å; E198-K304 IonicContact OE2-NZ 3.62Å; E198-K304 PolarHBondContact OE2-NZ 2.83Å; I300-K304 WeakPolarHBondContact O-CB 3.42Å; I300-K304 PolarHBondContact O-N 3.45Å; K304-L307 PolarHBondContact O-N 3.14Å; K304-R308 WeakPolarHBondContact O-CG 3.42Å; K304-R308 PolarHBondContact O-N 2.88Å |
| 305 | N | 87.6 | Confident | 84.2 | Confident | 97 Ų | 97 | 92.7 Ų | 92.7 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 175 | -166.6 | 30.9 | 0 | 0 | 0 | 112.5 | R301 R302 T303 L307 R308 I309 | R301-N305 PolarHBondContact O-N 3.2Å; R302-N305 PolarHBondContact O-N 2.9Å; T303-N305 VanDerWaalsContact C-N 3.31Å; T303-N305 PolarHBondContact O-N 3.23Å; N305-L307 VanDerWaalsContact C-N 3.34Å; N305-L307 PolarHBondContact O-N 3.49Å; N305-R308 PolarHBondContact O-N 3.24Å; N305-I309 WeakPolarHBondContact O-CG1 3.38Å; N305-I309 PolarHBondContact O-N 3.27Å |
| 306 | K | 87.4 | Confident | 82.4 | Confident | 114 Ų | 114 | 92.5 Ų | 92.5 | 50% | 0.496 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 172.9 | -71 | 174 | 179.8 | 177.7 | 0 | 111.3 | R302 T303 R308 I309 L310 | R302-K306 WeakPolarHBondContact O-CG 3.46Å; R302-K306 PolarHBondContact O-N 3.46Å; R302-K306 VanDerWaalsContact O-N 3.11Å; T303-K306 WeakPolarHBondContact O-CB 3.5Å; T303-K306 PolarHBondContact O-N 3.13Å; T303-K306 VanDerWaalsContact O-N 3.15Å; K306-R308 PolarHBondContact O-N 3.36Å; K306-I309 WeakPolarHBondContact O-CB 3.44Å; K306-I309 PolarHBondContact O-N 3.48Å; K306-I309 VanDerWaalsContact O-N 3.13Å; K306-L310 WeakPolarHBondContact O-CG 3.46Å; K306-L310 PolarHBondContact O-N 3.01Å |
| 307 | L | 83.6 | Confident | 80.7 | Confident | 21 Ų | 21 | 94.4 Ų | 94.4 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62 | -44 | 179 | -171 | 55.8 | 0 | 0 | 0 | 112 | A190 E191 I194 T303 K304 N305 I309 L310 Q311 | A190-L307 HydrophobicContact CB-CD2 4.28Å; E191-L307 HydrophobicContact CB-CD2 4.47Å; E191-L307 HydrophobicContact CG-CD2 3.58Å; E191-L307 HydrophobicContact CG-CG 4.4Å; I194-L307 HydrophobicContact CD1-CD2 3.93Å; T303-L307 PolarHBondContact O-N 3.01Å; K304-L307 PolarHBondContact O-N 3.14Å; N305-L307 VanDerWaalsContact C-N 3.34Å; N305-L307 PolarHBondContact O-N 3.49Å; L307-I309 VanDerWaalsContact C-N 3.3Å; L307-I309 PolarHBondContact O-N 2.98Å; L307-L310 WeakPolarHBondContact O-CB 3.36Å; L307-L310 PolarHBondContact O-N 3.46Å; L307-L310 VanDerWaalsContact O-N 3.17Å; L307-Q311 WeakPolarHBondContact O-CG 3.38Å; L307-Q311 PolarHBondContact O-N 2.89Å |
| 308 | R | 83.2 | Confident | 79.1 | Confident | 136 Ų | 136 | 96.2 Ų | 96.2 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60 | -35.2 | 172.3 | -75.1 | 175.1 | 171.6 | -179.2 | -3.1 | 113.5 | K304 N305 K306 K312 | K304-R308 WeakPolarHBondContact O-CG 3.42Å; K304-R308 PolarHBondContact O-N 2.88Å; N305-R308 PolarHBondContact O-N 3.24Å; K306-R308 PolarHBondContact O-N 3.36Å; R308-K312 WeakPolarHBondContact O-CB 3.45Å; R308-K312 WeakPolarHBondContact O-CG 3.3Å; R308-K312 PolarHBondContact O-N 3.27Å |
| 309 | I | 83.7 | Confident | 77 | Confident | 85 Ų | 85 | 96 Ų | 96 | 44% | 0.436 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.8 | -41.7 | 175.3 | -68.3 | 163.5 | 0 | 0 | 0 | 110.6 | N305 K306 L307 K312 M313 | N305-I309 WeakPolarHBondContact O-CG1 3.38Å; N305-I309 PolarHBondContact O-N 3.27Å; K306-I309 WeakPolarHBondContact O-CB 3.44Å; K306-I309 PolarHBondContact O-N 3.48Å; K306-I309 VanDerWaalsContact O-N 3.13Å; L307-I309 VanDerWaalsContact C-N 3.3Å; L307-I309 PolarHBondContact O-N 2.98Å; I309-K312 PolarHBondContact O-N 3.06Å; I309-M313 WeakPolarHBondContact O-CG 3.39Å; I309-M313 PolarHBondContact O-N 3.12Å |
| 310 | L | 79.4 | Confident | 74.9 | Confident | 116 Ų | 116 | 99.8 Ų | 99.8 | 61% | 0.607 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.2 | -45.2 | 175.4 | -68.2 | 170.2 | 0 | 0 | 0 | 111.4 | K306 L307 K312 M313 R314 | K306-L310 WeakPolarHBondContact O-CG 3.46Å; K306-L310 PolarHBondContact O-N 3.01Å; L307-L310 WeakPolarHBondContact O-CB 3.36Å; L307-L310 PolarHBondContact O-N 3.46Å; L307-L310 VanDerWaalsContact O-N 3.17Å; L310-K312 PolarHBondContact O-N 3.33Å; L310-M313 PolarHBondContact O-N 3.2Å; L310-M313 VanDerWaalsContact O-N 3.12Å; L310-R314 PolarHBondContact O-N 3.41Å |
| 311 | Q | 77.9 | Confident | 72.5 | Confident | 62 Ų | 62 | 105.9 Ų | 105.9 | 29% | 0.29 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 172.7 | -70.7 | 169.2 | -26.2 | 0 | 0 | 112.4 | E191 L307 M313 R314 T315 | E191-Q311 PolarHBondContact OE1-NE2 3.28Å; L307-Q311 WeakPolarHBondContact O-CG 3.38Å; L307-Q311 PolarHBondContact O-N 2.89Å; Q311-M313 VanDerWaalsContact C-N 3.27Å; Q311-M313 PolarHBondContact O-N 2.94Å; Q311-R314 WeakPolarHBondContact O-CB 3.04Å; Q311-R314 PolarHBondContact O-N 2.95Å; Q311-R314 VanDerWaalsContact O-N 3.11Å; Q311-T315 PolarHBondContact O-N 2.88Å; Q311-T315 PolarHBondContact O-OG1 3.26Å |
| 312 | K | 81.6 | Confident | 70.2 | Confident | 147 Ų | 147 | 104.7 Ų | 104.7 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65 | -25.8 | 175.1 | -77.5 | 178.2 | 177.8 | -178.5 | 0 | 113.8 | R308 I309 L310 T315 R316 | R308-K312 WeakPolarHBondContact O-CB 3.45Å; R308-K312 WeakPolarHBondContact O-CG 3.3Å; R308-K312 PolarHBondContact O-N 3.27Å; I309-K312 PolarHBondContact O-N 3.06Å; L310-K312 PolarHBondContact O-N 3.33Å; K312-T315 PolarHBondContact O-OG1 3.09Å; K312-R316 WeakPolarHBondContact O-CD 3.42Å; K312-R316 WeakPolarHBondContact O-CG 3.28Å |
| 313 | M | 71.3 | Confident | 67.5 | Low | 102 Ų | 102 | 108.6 Ų | 108.6 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -76.2 | -38.5 | 170.4 | -70.2 | -62.5 | -155.5 | 0 | 0 | 111 | I309 L310 Q311 R316 Q317 | I309-M313 WeakPolarHBondContact O-CG 3.39Å; I309-M313 PolarHBondContact O-N 3.12Å; L310-M313 PolarHBondContact O-N 3.2Å; L310-M313 VanDerWaalsContact O-N 3.12Å; Q311-M313 VanDerWaalsContact C-N 3.27Å; Q311-M313 PolarHBondContact O-N 2.94Å; M313-R316 WeakPolarHBondContact O-CB 3.45Å; M313-R316 PolarHBondContact O-N 3.36Å; M313-Q317 PolarHBondContact O-N 3.16Å |
| 314 | R | 67.8 | Low | 64.8 | Low | 87 Ų | 87 | 112 Ų | 112 | 33% | 0.328 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 178.2 | -168.9 | 175.7 | -175.1 | 157.9 | 4.8 | 112.9 | S180 D183 L310 Q311 R316 Q317 S318 | S180-R314 PolarHBondContact O-NH2 3.4Å; D183-R314 VanDerWaalsContact C-NH1 3.29Å; D183-R314 PolarHBondContact O-NH1 3.38Å; L310-R314 PolarHBondContact O-N 3.41Å; Q311-R314 WeakPolarHBondContact O-CB 3.04Å; Q311-R314 PolarHBondContact O-N 2.95Å; Q311-R314 VanDerWaalsContact O-N 3.11Å; R314-R316 PolarHBondContact O-N 2.95Å; R314-R316 VanDerWaalsContact O-N 3.16Å; R314-Q317 PolarHBondContact O-N 3.21Å; R314-S318 PolarHBondContact O-N 3.04Å |
| 315 | T | 69.3 | Low | 62.1 | Low | 77 Ų | 77 | 115.3 Ų | 115.3 | 47% | 0.472 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.8 | -17.4 | 175.7 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | Q311 K312 S318 N319 | Q311-T315 PolarHBondContact O-N 2.88Å; Q311-T315 PolarHBondContact O-OG1 3.26Å; K312-T315 PolarHBondContact O-OG1 3.09Å; T315-S318 PolarHBondContact O-OG 2.85Å; T315-N319 WeakPolarHBondContact O-CB 3.46Å; T315-N319 PolarHBondContact O-ND2 3.15Å |
| 316 | R | 53.8 | Low | 59.1 | Low | 170 Ų | 170 | 121.2 Ų | 121.2 | 64% | 0.642 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -84.1 | -23.2 | 171.5 | -64.3 | 169.4 | 97.6 | -177.6 | 10.7 | 112.7 | K312 M313 R314 Q320 | K312-R316 WeakPolarHBondContact O-CD 3.42Å; K312-R316 WeakPolarHBondContact O-CG 3.28Å; M313-R316 WeakPolarHBondContact O-CB 3.45Å; M313-R316 PolarHBondContact O-N 3.36Å; R314-R316 PolarHBondContact O-N 2.95Å; R314-R316 VanDerWaalsContact O-N 3.16Å; R316-Q320 WeakPolarHBondContact O-CG 3.49Å |
| 317 | Q | 55.9 | Low | 56.3 | Low | 132 Ų | 132 | 122.8 Ų | 122.8 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -81.5 | -44.7 | 174 | -67.7 | -175.6 | 6 | 0 | 0 | 111.7 | M313 R314 N319 Q320 H321 | M313-Q317 PolarHBondContact O-N 3.16Å; R314-Q317 PolarHBondContact O-N 3.21Å; Q317-N319 VanDerWaalsContact C-N 3.3Å; Q317-N319 PolarHBondContact O-N 3.44Å; Q317-Q320 WeakPolarHBondContact O-CB 3.5Å; Q317-Q320 PolarHBondContact O-N 3.47Å; Q317-H321 PolarHBondContact O-N 3.12Å |
| 318 | S | 54.7 | Low | 53.7 | Low | 60 Ų | 60 | 127.1 Ų | 127.1 | 42% | 0.42 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.5 | -41.1 | 177.2 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | R314 T315 Q320 H321 H322 | R314-S318 PolarHBondContact O-N 3.04Å; T315-S318 PolarHBondContact O-OG 2.85Å; S318-Q320 VanDerWaalsContact C-N 3.25Å; S318-Q320 PolarHBondContact O-N 3.4Å; S318-H321 PolarHBondContact O-N 2.89Å; S318-H322 PolarHBondContact O-N 3.27Å; S318-H322 PolarHBondContact O-ND1 2.94Å |
| 319 | N | 48.1 | Very low | 50.9 | Low | 107 Ų | 107 | 125.7 Ų | 125.7 | 57% | 0.572 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.4 | -14.7 | 174.8 | -78.8 | -39.6 | 0 | 0 | 0 | 114.4 | T315 Q317 | T315-N319 WeakPolarHBondContact O-CB 3.46Å; T315-N319 PolarHBondContact O-ND2 3.15Å; Q317-N319 VanDerWaalsContact C-N 3.3Å; Q317-N319 PolarHBondContact O-N 3.44Å |
| 320 | Q | 46.3 | Very low | 48.3 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 67% | 0.673 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -82.7 | -32.9 | 170.2 | -78.7 | -177.5 | 12 | 0 | 0 | 112.1 | R316 Q317 S318 | R316-Q320 WeakPolarHBondContact O-CG 3.49Å; Q317-Q320 WeakPolarHBondContact O-CB 3.5Å; Q317-Q320 PolarHBondContact O-N 3.47Å; S318-Q320 VanDerWaalsContact C-N 3.25Å; S318-Q320 PolarHBondContact O-N 3.4Å |
| 321 | H | 40.6 | Very low | 45.7 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 69% | 0.685 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71 | -37 | 174.2 | -83 | -91.4 | 0 | 0 | 0 | 112.6 | Q317 S318 Y323 N324 | Q317-H321 PolarHBondContact O-N 3.12Å; S318-H321 PolarHBondContact O-N 2.89Å; H321-Y323 PolarHBondContact O-N 3.03Å; H321-Y323 VanDerWaalsContact O-N 3.11Å; H321-N324 PolarHBondContact O-N 3.21Å |
| 322 | H | 38.5 | Very low | 43.3 | Very low | 150 Ų | 150 | 131 Ų | 131 | 69% | 0.694 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -11.7 | 177.5 | -88.8 | 77.1 | 0 | 0 | 0 | 115.2 | S318 | S318-H322 PolarHBondContact O-N 3.27Å; S318-H322 PolarHBondContact O-ND1 2.94Å |
| 323 | Y | 33 | Very low | 40.7 | Very low | 210 Ų | 210 | 130.4 Ų | 130.4 | 82% | 0.824 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -1.4 | 176.9 | -105.6 | -85.5 | 0 | 0 | 0 | 115 | H321 | H321-Y323 PolarHBondContact O-N 3.03Å; H321-Y323 VanDerWaalsContact O-N 3.11Å |
| 324 | N | 31 | Very low | 38.7 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -108.1 | -6.1 | -178.3 | -78.1 | -25.3 | 0 | 0 | 0 | 115.1 | H321 R326 | H321-N324 PolarHBondContact O-N 3.21Å; N324-R326 VanDerWaalsContact C-N 3.33Å; N324-R326 PolarHBondContact O-N 3.35Å |
| 325 | V | 28.7 | Very low | 36.9 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | trans | -83.3 | 81.2 | 173.5 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | I327 | V325-I327 PolarHBondContact O-N 3.2Å; V325-I327 VanDerWaalsContact O-N 3.11Å | ||
| 326 | R | 26.3 | Very low | 34.7 | Very low | 222 Ų | 222 | 136.9 Ų | 136.9 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | -71.5 | 102.5 | 169.6 | -171 | -178.8 | -160.9 | 174.2 | 5.1 | 108.3 | N324 T328 | N324-R326 VanDerWaalsContact C-N 3.33Å; N324-R326 PolarHBondContact O-N 3.35Å; R326-T328 PolarHBondContact O-N 3.39Å | ||
| 327 | I | 27 | Very low | 33.6 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | -57.1 | 100.6 | 175.2 | -59.3 | 168.7 | 0 | 0 | 0 | 109 | V325 S329 | V325-I327 PolarHBondContact O-N 3.2Å; V325-I327 VanDerWaalsContact O-N 3.11Å; I327-S329 PolarHBondContact O-N 3.27Å | ||
| 328 | T | 29.4 | Very low | 32.1 | Very low | 112 Ų | 112 | 135 Ų | 135 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | trans | -85.1 | 87.4 | 164.2 | 46.7 | 0 | 0 | 0 | 0 | 107.6 | R326 T330 | R326-T328 PolarHBondContact O-N 3.39Å; T328-T330 VanDerWaalsContact C-N 3.29Å; T328-T330 PolarHBondContact O-N 3.14Å | ||
| 329 | S | 25.5 | Very low | 30.9 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -68.5 | 86 | 173.1 | 56.7 | 0 | 0 | 0 | 0 | 110 | I327 N331 | I327-S329 PolarHBondContact O-N 3.27Å; S329-N331 PolarHBondContact O-N 3.31Å | ||
| 330 | T | 28.4 | Very low | 29.8 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | -72.4 | 117.2 | 166.3 | 44.3 | 0 | 0 | 0 | 0 | 108.6 | T328 P332 | T328-T330 VanDerWaalsContact C-N 3.29Å; T328-T330 PolarHBondContact O-N 3.14Å; T330-P332 WeakPolarHBondContact O-CD 3.35Å | ||
| 331 | N | 25.4 | Very low | 28.8 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -76.7 | 117.5 | -168.3 | -160.6 | 13 | 0 | 0 | 0 | 111.3 | S329 N333 | S329-N331 PolarHBondContact O-N 3.31Å; N331-N333 PolarHBondContact O-N 3.02Å | ||
| 332 | P | 27.4 | Very low | 28.2 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | trans | -89 | 84.9 | -178 | 34.6 | -31.4 | 0 | 0 | 0 | 110.9 | T330 | T330-P332 WeakPolarHBondContact O-CD 3.35Š| ||
| 333 | N | 26.2 | Very low | 27.4 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | -133.9 | 79.4 | 174.2 | -91.7 | -11.3 | 0 | 0 | 0 | 110.7 | N331 | N331-N333 PolarHBondContact O-N 3.02Š| ||
| 334 | T | 30.5 | Very low | 27.1 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | trans | -142 | 119 | 158.4 | 35.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 335 | T | 28.6 | Very low | 26.7 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -70.8 | 152.2 | -171.9 | -34.4 | 0 | 0 | 0 | 0 | 112.1 | T337 | T335-T337 PolarHBondContact O-N 2.64Š| ||
| 336 | T | 24.6 | Very low | 26.6 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -42.7 | 128.4 | 168.3 | 46.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 337 | T | 29 | Very low | 26.4 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -129.7 | 107.5 | 153 | 50 | 0 | 0 | 0 | 0 | 108.4 | T335 | T335-T337 PolarHBondContact O-N 2.64Š| ||
| 338 | T | 24.7 | Very low | 26.5 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -74.7 | 124.8 | 169.2 | 46.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 339 | D | 29.3 | Very low | 26.3 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -155.4 | 97.7 | 157.6 | -89 | -36.4 | 0 | 0 | 0 | 109.8 | ||||
| 340 | T | 26.6 | Very low | 26.3 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | 32.7 | 117.2 | 127.3 | 60.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 341 | T | 24.5 | Very low | 26.4 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | 43 | 113.6 | 132.7 | 62 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 342 | N | 28.7 | Very low | 26.4 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | -172.1 | 150.7 | 103.7 | -97.6 | -39.1 | 0 | 0 | 0 | 114.4 | |||||
| 343 | I | 21.3 | Very low | 26.2 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -76.8 | 133.8 | 177 | -63.3 | 153.2 | 0 | 0 | 0 | 109.7 | ||||
| 344 | S | 26.6 | Very low | 26.2 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -162.6 | 117.3 | 149.8 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 345 | T | 22.7 | Very low | 25.9 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 63% | 0.632 | 80% | 0.799 | S | S | * | * | trans | -68.5 | 142.6 | 163.5 | 46.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 346 | H | 26.5 | Very low | 25.5 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | 174.4 | 147.7 | 120.3 | -91.7 | -58.6 | 0 | 0 | 0 | 114.1 | |||||
| 347 | N | 21.5 | Very low | 25.5 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -51 | 143.1 | 174.8 | -58.5 | -39.8 | 0 | 0 | 0 | 114.6 | ||||
| 348 | T | 28.6 | Very low | 25.5 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | -155.4 | 138.4 | 128.8 | -9.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 349 | T | 25 | Very low | 25.3 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 73% | 0.73 | 81% | 0.812 | S | S | * | * | trans | -99 | 162.4 | 178.8 | 44.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 350 | N | 27 | Very low | 24.8 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | 67.4 | 104 | 158.7 | -56.7 | -28.5 | 0 | 0 | 0 | 118.6 | ||||
| 351 | N | 30.5 | Very low | 24.7 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -148.6 | 100.2 | 137.3 | -113.1 | -32.5 | 0 | 0 | 0 | 111 | ||||
| 352 | V | 24.3 | Very low | 24.7 | Very low | 141 Ų | 141 | 152.5 Ų | 152.5 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -114.9 | 90.5 | 171.7 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 353 | L | 22.7 | Very low | 24.4 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -164.9 | 108.5 | 153.7 | -149.5 | 69.6 | 0 | 0 | 0 | 112.8 | ||||
| 354 | S | 27 | Very low | 24.5 | Very low | 114 Ų | 114 | 152 Ų | 152 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 167.4 | 70.2 | 146.6 | 42.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 355 | N | 24.2 | Very low | 24.5 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -142.5 | 56.9 | 170.1 | -102.4 | -32.9 | 0 | 0 | 0 | 111.7 | ||||
| 356 | F | 20.4 | Very low | 24.5 | Very low | 202 Ų | 202 | 155.5 Ų | 155.5 | 89% | 0.886 | 82% | 0.822 | S | S | * | * | trans | -150 | 83.5 | 167.1 | -85.5 | -70.9 | 0 | 0 | 0 | 110.7 | ||||
| 357 | Q | 24.3 | Very low | 24.4 | Very low | 174 Ų | 174 | 152 Ų | 152 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -170.4 | 159.1 | 143.2 | -139.7 | 71.8 | -37.1 | 0 | 0 | 108.1 | ||
| 358 | N | 28.3 | Very low | 24.8 | Very low | 155 Ų | 155 | 153.2 Ų | 153.2 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | 77.8 | 47.5 | 175.2 | -51.1 | -16.5 | 0 | 0 | 0 | 117 | ||||
| 359 | F | 20.2 | Very low | 24.4 | Very low | 214 Ų | 214 | 153.9 Ų | 153.9 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -106.3 | 63.9 | 157.9 | -122.2 | -71.1 | 0 | 0 | 0 | 110.7 | ||||
| 360 | L | 20.5 | Very low | 24.4 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 80% | 0.801 | 83% | 0.827 | S | S | * | * | trans | -149.6 | 146.3 | 167.9 | -77.9 | -176.1 | 0 | 0 | 0 | 110.5 | ||||
| 361 | N | 24.8 | Very low | 24.4 | Very low | 148 Ų | 148 | 155 Ų | 155 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | 74.2 | 138.6 | -179.7 | -50.8 | -22.9 | 0 | 0 | 0 | 114.4 | ||||
| 362 | L | 23.2 | Very low | 24.3 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 73% | 0.728 | 82% | 0.823 | S | S | * | * | cis | -156.9 | 160.3 | -11.2 | -146.4 | 70.7 | 0 | 0 | 0 | 109.8 | ||||
| 363 | D | 23.7 | Very low | 24.4 | Very low | 120 Ų | 120 | 156.6 Ų | 156.6 | 64% | 0.642 | 83% | 0.825 | S | S | * | * | trans | 36.9 | 109.6 | 152.9 | -67.3 | -33.7 | 0 | 0 | 0 | 123.2 | ||||
| 364 | K | 23.3 | Very low | 24.6 | Very low | 191 Ų | 191 | 154.5 Ų | 154.5 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | 22.3 | 116.9 | 119.1 | -63.1 | 170.6 | -176.3 | 159.3 | 0 | 118.4 | |||||
| 365 | S | 26.4 | Very low | 25.2 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -143.6 | 66.8 | 150.3 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | S367 | S365-S367 PolarHBondContact O-N 3.42Å; S365-S367 VanDerWaalsContact O-N 3.08Å | ||
| 366 | D | 23 | Very low | 26 | Very low | 174 Ų | 174 | 153.8 Ų | 153.8 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -73.2 | 95.4 | 169.4 | -82 | -38.4 | 0 | 0 | 0 | 110.3 | ||||
| 367 | S | 24.5 | Very low | 27.1 | Very low | 103 Ų | 103 | 149.6 Ų | 149.6 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -127.1 | 106.6 | 172.2 | 150.5 | 0 | 0 | 0 | 0 | 108.8 | S365 | S365-S367 PolarHBondContact O-N 3.42Å; S365-S367 VanDerWaalsContact O-N 3.08Å | ||
| 368 | L | 28.2 | Very low | 28.1 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | trans | 176.8 | 61.2 | 148.6 | -96 | 164.1 | 0 | 0 | 0 | 110.5 | ||||
| 369 | N | 21.9 | Very low | 28.6 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -86.5 | 103.3 | 161.2 | -97.1 | -40.4 | 0 | 0 | 0 | 108.3 | ||||
| 370 | N | 23.5 | Very low | 29.6 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | 172.1 | 100.2 | 144.3 | -89.9 | -23.3 | 0 | 0 | 0 | 111.2 | ||||
| 371 | S | 26.6 | Very low | 30.9 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -141.1 | 144.3 | 144.5 | 83.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 372 | I | 28.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 140 Ų | 140 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | -98.1 | 156 | -156.4 | -75.5 | 167.5 | 0 | 0 | 0 | 111.5 | I374 | I372-I374 VanDerWaalsContact C-N 3.35Å; I372-I374 HydrophobicContact CG2-CD1 4.31Å; I372-I374 PolarHBondContact O-N 3.37Å | ||
| 373 | K | 27 | Very low | 33.8 | Very low | 206 Ų | 206 | 139.4 Ų | 139.4 | 90% | 0.896 | 73% | 0.725 | S | S | * | * | trans | -53.4 | 83.9 | 173.6 | -58.8 | 169.3 | -178.3 | 170.2 | 0 | 113.2 | ||||
| 374 | I | 26.4 | Very low | 35.1 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 62% | 0.621 | 71% | 0.713 | S | S | * | * | trans | -123 | 104.3 | 158.2 | -68.3 | 113.9 | 0 | 0 | 0 | 107.3 | I372 | I372-I374 VanDerWaalsContact C-N 3.35Å; I372-I374 HydrophobicContact CG2-CD1 4.31Å; I372-I374 PolarHBondContact O-N 3.37Å | ||
| 375 | S | 40.5 | Very low | 36.1 | Very low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -161.8 | -37.3 | 179.1 | 178.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 376 | Q | 41.3 | Very low | 37.2 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -76.7 | -40.9 | -178.6 | -71.7 | -173.2 | -30.4 | 0 | 0 | 113 | R379 R380 | Q376-R379 PolarHBondContact O-N 2.91Å; Q376-R379 VanDerWaalsContact O-N 3.14Å; Q376-R380 PolarHBondContact O-N 2.84Å |
| 377 | D | 42.6 | Very low | 37.8 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 60% | 0.604 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.7 | -37.7 | 179.1 | -62.6 | -43.5 | 0 | 0 | 0 | 112.4 | R379 R380 N381 | D377-R379 PolarHBondContact O-N 2.96Å; D377-R380 PolarHBondContact O-N 3.5Å; D377-R380 VanDerWaalsContact O-N 3.13Å; D377-N381 WeakPolarHBondContact O-CB 3.44Å; D377-N381 PolarHBondContact O-N 3.44Å |
| 378 | N | 45 | Very low | 38.6 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 54% | 0.54 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -58.5 | -33.2 | 172.6 | -76.2 | 5.1 | 0 | 0 | 0 | 112.2 | A382 | N378-A382 WeakPolarHBondContact O-CB 3.42Å; N378-A382 PolarHBondContact O-N 3.21Å |
| 379 | R | 38.9 | Very low | 39.2 | Very low | 209 Ų | 209 | 127.1 Ų | 127.1 | 79% | 0.789 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.5 | -33.5 | 178.4 | -156.3 | 176.9 | -166.1 | 178.1 | 5.4 | 112.7 | Q376 D377 F383 | Q376-R379 PolarHBondContact O-N 2.91Å; Q376-R379 VanDerWaalsContact O-N 3.14Å; D377-R379 PolarHBondContact O-N 2.96Å; R379-F383 PolarHBondContact O-N 3.3Å |
| 380 | R | 43.1 | Very low | 39.9 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 69% | 0.687 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.9 | -42.4 | 175.7 | -165.7 | 174.3 | -171.1 | 155.2 | 2.4 | 111.3 | Q376 D377 F383 I384 | Q376-R380 PolarHBondContact O-N 2.84Å; D377-R380 PolarHBondContact O-N 3.5Å; D377-R380 VanDerWaalsContact O-N 3.13Å; R380-F383 PolarHBondContact O-N 3.43Å; R380-I384 HydrophobicContact CG-CD1 4.33Å; R380-I384 WeakPolarHBondContact O-CG1 3.48Å; R380-I384 PolarHBondContact O-N 2.9Å |
| 381 | N | 47.5 | Very low | 40.4 | Very low | 90 Ų | 90 | 120 Ų | 120 | 48% | 0.481 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.8 | -39.4 | 176.5 | -71 | -4.9 | 0 | 0 | 0 | 111.8 | D377 F383 I384 H385 | D377-N381 WeakPolarHBondContact O-CB 3.44Å; D377-N381 PolarHBondContact O-N 3.44Å; N381-F383 VanDerWaalsContact C-N 3.29Å; N381-F383 PolarHBondContact O-N 3.21Å; N381-I384 PolarHBondContact O-N 3.21Å; N381-H385 WeakPolarHBondContact O-CB 3.19Å; N381-H385 PolarHBondContact O-CD2 3.18Å; N381-H385 PolarHBondContact O-N 3.36Å |
| 382 | A | 57.3 | Low | 40.8 | Very low | 60 Ų | 60 | 123.4 Ų | 123.4 | 50% | 0.496 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.7 | -36.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N378 Y386 | N378-A382 WeakPolarHBondContact O-CB 3.42Å; N378-A382 PolarHBondContact O-N 3.21Å; A382-Y386 VanDerWaalsContact O-CB 3.25Å; A382-Y386 WeakPolarHBondContact O-CB 3.43Å; A382-Y386 PolarHBondContact O-N 3.48Å |
| 383 | F | 51.5 | Low | 40.9 | Very low | 127 Ų | 127 | 123 Ų | 123 | 56% | 0.557 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.5 | -37.4 | 176 | -173.1 | -102.4 | 0 | 0 | 0 | 112.8 | R379 R380 N381 Y386 L387 | R379-F383 PolarHBondContact O-N 3.3Å; R380-F383 PolarHBondContact O-N 3.43Å; N381-F383 VanDerWaalsContact C-N 3.29Å; N381-F383 PolarHBondContact O-N 3.21Å; F383-Y386 PolarHBondContact O-N 3.43Å; F383-L387 HydrophobicContact CD1-CD1 4.13Å; F383-L387 HydrophobicContact CE1-CD1 3.63Å; F383-L387 HydrophobicContact CE1-CG 4.25Å; F383-L387 HydrophobicContact CZ-CD1 4.13Å; F383-L387 HydrophobicContact CZ-CG 4.4Å; F383-L387 WeakPolarHBondContact O-CG 3.31Å; F383-L387 PolarHBondContact O-N 2.87Å; F383-L387 VanDerWaalsContact O-N 3.07Å |
| 384 | I | 51.2 | Low | 40.9 | Very low | 77 Ų | 77 | 123.4 Ų | 123.4 | 40% | 0.395 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.2 | -42 | 174.8 | -68.7 | 169.5 | 0 | 0 | 0 | 110.9 | R380 N381 L387 H388 | R380-I384 HydrophobicContact CG-CD1 4.33Å; R380-I384 WeakPolarHBondContact O-CG1 3.48Å; R380-I384 PolarHBondContact O-N 2.9Å; N381-I384 PolarHBondContact O-N 3.21Å; I384-L387 PolarHBondContact O-N 3.18Å; I384-H388 PolarHBondContact O-CD2 3.22Å; I384-H388 PolarHBondContact O-N 2.8Å |
| 385 | H | 43.1 | Very low | 40.9 | Very low | 121 Ų | 121 | 126 Ų | 126 | 56% | 0.56 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.3 | -47.9 | 171.5 | -90.9 | -86.3 | 0 | 0 | 0 | 111.4 | N381 L387 H388 D389 | N381-H385 WeakPolarHBondContact O-CB 3.19Å; N381-H385 PolarHBondContact O-CD2 3.18Å; N381-H385 PolarHBondContact O-N 3.36Å; H385-L387 VanDerWaalsContact C-N 3.28Å; H385-L387 PolarHBondContact O-N 3.11Å; H385-H388 CarbonylContact O-C 3.46Å; H385-H388 WeakPolarHBondContact O-CA 3.38Å; H385-H388 PolarHBondContact O-N 2.74Å; H385-D389 PolarHBondContact O-N 3.12Å |
| 386 | Y | 49 | Very low | 40.3 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -56.7 | -38.1 | 177.3 | -176.6 | -105.7 | 0 | 0 | 0 | 113.4 | A382 F383 I390 | A382-Y386 VanDerWaalsContact O-CB 3.25Å; A382-Y386 WeakPolarHBondContact O-CB 3.43Å; A382-Y386 PolarHBondContact O-N 3.48Å; F383-Y386 PolarHBondContact O-N 3.43Å; Y386-I390 HydrophobicContact CD1-CD1 3.91Å; Y386-I390 HydrophobicContact CE1-CD1 3.45Å; Y386-I390 VanDerWaalsContact CE1-CD1 3.45Å; Y386-I390 HydrophobicContact CE1-CG1 4.47Å; Y386-I390 HydrophobicContact CE2-CD1 4.44Å; Y386-I390 WeakPolarHBondContact O-CG1 3.42Å; Y386-I390 PolarHBondContact O-N 2.82Å |
| 387 | L | 36.9 | Very low | 39.5 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.6 | -36.6 | 173.3 | -71.6 | 177.7 | 0 | 0 | 0 | 112.8 | F383 I384 H385 S391 | F383-L387 HydrophobicContact CD1-CD1 4.13Å; F383-L387 HydrophobicContact CE1-CD1 3.63Å; F383-L387 HydrophobicContact CE1-CG 4.25Å; F383-L387 HydrophobicContact CZ-CD1 4.13Å; F383-L387 HydrophobicContact CZ-CG 4.4Å; F383-L387 WeakPolarHBondContact O-CG 3.31Å; F383-L387 PolarHBondContact O-N 2.87Å; F383-L387 VanDerWaalsContact O-N 3.07Å; I384-L387 PolarHBondContact O-N 3.18Å; H385-L387 VanDerWaalsContact C-N 3.28Å; H385-L387 PolarHBondContact O-N 3.11Å; L387-S391 PolarHBondContact O-N 3.17Å |
| 388 | H | 40.5 | Very low | 38.5 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 52% | 0.523 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70 | -34.5 | 173.3 | -85.5 | -63.3 | 0 | 0 | 0 | 113.1 | I384 H385 S391 R392 | I384-H388 PolarHBondContact O-CD2 3.22Å; I384-H388 PolarHBondContact O-N 2.8Å; H385-H388 CarbonylContact O-C 3.46Å; H385-H388 WeakPolarHBondContact O-CA 3.38Å; H385-H388 PolarHBondContact O-N 2.74Å; H388-S391 WeakPolarHBondContact CA-OG 3.33Å; H388-S391 CarbonylContact O-C 3.58Å; H388-S391 PolarHBondContact O-N 2.92Å; H388-S391 VanDerWaalsContact O-N 3.14Å; H388-S391 PolarHBondContact O-OG 2.95Å; H388-R392 PolarHBondContact O-N 2.85Å |
| 389 | D | 41.8 | Very low | 37.6 | Very low | 75 Ų | 75 | 128 Ų | 128 | 40% | 0.401 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.2 | -38.6 | 177.3 | -61.5 | -26.5 | 0 | 0 | 0 | 110.6 | H385 S391 R392 N393 | H385-D389 PolarHBondContact O-N 3.12Å; D389-S391 VanDerWaalsContact C-N 3.26Å; D389-S391 PolarHBondContact O-N 2.93Å; D389-R392 PolarHBondContact O-N 2.92Å; D389-R392 VanDerWaalsContact O-N 3.08Å; D389-N393 WeakPolarHBondContact O-CB 3.31Å; D389-N393 VanDerWaalsContact O-CG 3.23Å; D389-N393 PolarHBondContact O-N 2.96Å; D389-N393 PolarHBondContact O-ND2 3.36Å |
| 390 | I | 35.5 | Very low | 36.9 | Very low | 83 Ų | 83 | 124.5 Ų | 124.5 | 43% | 0.426 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -59.4 | -37.3 | 168.3 | -71.7 | 169.2 | 0 | 0 | 0 | 111.3 | Y386 R392 | Y386-I390 HydrophobicContact CD1-CD1 3.91Å; Y386-I390 HydrophobicContact CE1-CD1 3.45Å; Y386-I390 VanDerWaalsContact CE1-CD1 3.45Å; Y386-I390 HydrophobicContact CE1-CG1 4.47Å; Y386-I390 HydrophobicContact CE2-CD1 4.44Å; Y386-I390 WeakPolarHBondContact O-CG1 3.42Å; Y386-I390 PolarHBondContact O-N 2.82Å; I390-R392 PolarHBondContact O-N 3.1Å |
| 391 | S | 35.5 | Very low | 36 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 58% | 0.58 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -9.5 | 176.8 | 74.9 | 0 | 0 | 0 | 0 | 114.8 | L387 H388 D389 | L387-S391 PolarHBondContact O-N 3.17Å; H388-S391 WeakPolarHBondContact CA-OG 3.33Å; H388-S391 CarbonylContact O-C 3.58Å; H388-S391 PolarHBondContact O-N 2.92Å; H388-S391 VanDerWaalsContact O-N 3.14Å; H388-S391 PolarHBondContact O-OG 2.95Å; D389-S391 VanDerWaalsContact C-N 3.26Å; D389-S391 PolarHBondContact O-N 2.93Å |
| 392 | R | 34.6 | Very low | 34.9 | Very low | 198 Ų | 198 | 124.8 Ų | 124.8 | 75% | 0.747 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -23.2 | 176.8 | -72.5 | -170 | 179.1 | -143.7 | 0.3 | 114.3 | H388 D389 I390 Y394 | H388-R392 PolarHBondContact O-N 2.85Å; D389-R392 PolarHBondContact O-N 2.92Å; D389-R392 VanDerWaalsContact O-N 3.08Å; I390-R392 PolarHBondContact O-N 3.1Å; R392-Y394 PolarHBondContact O-N 2.88Å |
| 393 | N | 29.6 | Very low | 33.4 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 69% | 0.69 | 66% | 0.663 | S | S | * | * | trans | -83.7 | 29.3 | -176 | -66.5 | -17.8 | 0 | 0 | 0 | 114.1 | D389 | D389-N393 WeakPolarHBondContact O-CB 3.31Å; D389-N393 VanDerWaalsContact O-CG 3.23Å; D389-N393 PolarHBondContact O-N 2.96Å; D389-N393 PolarHBondContact O-ND2 3.36Å | ||
| 394 | Y | 27.3 | Very low | 32.1 | Very low | 215 Ų | 215 | 128.5 Ų | 128.5 | 84% | 0.843 | 68% | 0.675 | S | S | * | * | trans | -112.6 | 36.2 | 167 | -94.4 | -73.9 | 0 | 0 | 0 | 111.8 | R392 | R392-Y394 PolarHBondContact O-N 2.88Š| ||
| 395 | E | 27.3 | Very low | 30.8 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -127 | 124.3 | 159.6 | -97.5 | 172 | -172.3 | 0 | 0 | 109 | P397 | E395-P397 WeakPolarHBondContact O-CD 3.5Š|
| 396 | I | 26.5 | Very low | 29.8 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 81% | 0.81 | 71% | 0.712 | S | S | * | * | trans | -78.3 | 121.4 | -172.8 | -65.9 | 167.9 | 0 | 0 | 0 | 108.5 | T398 | I396-T398 PolarHBondContact O-N 3.47Š| ||
| 397 | P | 24.5 | Very low | 28.7 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -77.2 | 111.9 | -176.9 | -9.7 | 25.6 | 0 | 0 | 0 | 111.6 | E395 | E395-P397 WeakPolarHBondContact O-CD 3.5Š| ||
| 398 | T | 21.8 | Very low | 28 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 87% | 0.871 | 74% | 0.738 | S | S | * | * | trans | -93.3 | 98.2 | 162.6 | 40.9 | 0 | 0 | 0 | 0 | 109.8 | I396 | I396-T398 PolarHBondContact O-N 3.47Š| ||
| 399 | S | 25.3 | Very low | 27.2 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -141.8 | 103.6 | 167.5 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 400 | T | 25.6 | Very low | 26.4 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -65.8 | 129.4 | 170.8 | 35.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 401 | L | 24.8 | Very low | 25.9 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -80.3 | 129.3 | 164.6 | -87.7 | 85.8 | 0 | 0 | 0 | 109.5 | ||||
| 402 | T | 24 | Very low | 25.5 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | -120.9 | 89.6 | 169.6 | 37.3 | 0 | 0 | 0 | 0 | 109.7 | T404 | T402-T404 PolarHBondContact O-N 3.11Š| ||
| 403 | T | 25.4 | Very low | 25.2 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -81.3 | 108.3 | 168.4 | 25.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 404 | T | 24.1 | Very low | 25.4 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -104.3 | 104.9 | 174.9 | 30.6 | 0 | 0 | 0 | 0 | 109.9 | T402 | T402-T404 PolarHBondContact O-N 3.11Š| ||
| 405 | T | 24.2 | Very low | 25.4 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | -99.4 | 123.2 | 166.1 | 37.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 406 | K | 22.1 | Very low | 25.4 | Very low | 203 Ų | 203 | 125.4 Ų | 125.4 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -79 | 133.4 | 174.2 | -67.2 | 173.2 | 174.9 | 177.5 | 0 | 110 | ||||
| 407 | T | 24.9 | Very low | 25.5 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | trans | -140.7 | 159.9 | 153.2 | 21.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 408 | T | 23.1 | Very low | 25.4 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | trans | -111.7 | 142 | -153.1 | 35.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 409 | I | 22.8 | Very low | 25.5 | Very low | 148 Ų | 148 | 129 Ų | 129 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | 61.2 | 112.6 | 139.6 | -54.9 | 162.6 | 0 | 0 | 0 | 118.1 | ||||
| 410 | S | 25.1 | Very low | 25.5 | Very low | 78 Ų | 78 | 132.3 Ų | 132.3 | 55% | 0.545 | 73% | 0.732 | S | S | . | * | trans | -157 | 117.4 | 133.7 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | K449 | S410-K449 PolarHBondContact O-NZ 2.99Å; S410-K449 PolarHBondContact OG-NZ 3.23Å | ||
| 411 | N | 24.8 | Very low | 25.6 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -73.9 | 154.2 | -178.9 | -59.1 | -25.5 | 0 | 0 | 0 | 111.7 | Y450 | N411-Y450 WeakPolarHBondContact O-CE1 3.28Š| ||
| 412 | H | 27.1 | Very low | 25.5 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 30% | 0.301 | 73% | 0.726 | S | S | . | * | trans | -175.4 | 142.9 | 130.8 | -118.5 | -114.2 | 0 | 0 | 0 | 112.6 | Y450 G451 N452 | H412-Y450 HydrophobicContact CB-CD1 3.57Å; H412-Y450 HydrophobicContact CB-CE1 3.92Å; H412-Y450 HydrophobicContact CB-CG 4.1Å; H412-Y450 AromaticContact CD2-CD1 3.21Å; H412-Y450 WeakPolarHBondContact CD2-CD1 3.37Å; H412-Y450 AromaticContact CD2-CE1 3.47Å; H412-Y450 VanDerWaalsContact CD2-CE1 3.47Å; H412-Y450 WeakPolarHBondContact CD2-CE1 3.35Å; H412-Y450 WeakPolarHBondContact CE1-CA 3.5Å; H412-Y450 AromaticContact CG-CD1 3.25Å; H412-Y450 AromaticContact CG-CE1 3.81Å; H412-Y450 AromaticContact ND1-CD1 3.67Å; H412-G451 WeakPolarHBondContact CE1-CA 3.43Å; H412-G451 PolarHBondContact CE1-N 3.15Å; H412-G451 PolarHBondContact ND1-N 3.38Å; H412-N452 PolarHBondContact CE1-N 3.13Å; H412-N452 PolarHBondContact ND1-N 3.22Å; H412-N452 VanDerWaalsContact ND1-N 3.11Å; H412-N452 WeakPolarHBondContact NE2-CA 3.34Å; H412-N452 WeakPolarHBondContact NE2-CB 3.07Å; H412-N452 PolarHBondContact NE2-N 3.49Å; H412-N452 VanDerWaalsContact NE2-N 3.11Å; H412-N452 PolarHBondContact NE2-ND2 3.28Å; H412-N452 PolarHBondContact NE2-OD1 2.78Å; H412-N452 VanDerWaalsContact NE2-OD1 3.17Å | ||
| 413 | D | 29 | Very low | 25.6 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 48% | 0.476 | 73% | 0.728 | S | S | . | * | trans | -79.2 | 170 | 172.9 | -36.7 | -75.5 | 0 | 0 | 0 | 110.5 | G451 | D413-G451 WeakPolarHBondContact O-CA 3.3Å; D413-G451 PolarHBondContact O-N 3.12Å | ||
| 414 | D | 33.4 | Very low | 25.7 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | cis | -156.2 | 158.5 | 20.1 | -135.6 | -12 | 0 | 0 | 0 | 111.2 | ||||
| 415 | P | 28.5 | Very low | 25.8 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | -113.2 | 151.6 | -177.1 | 38.5 | -27.8 | 0 | 0 | 0 | 115.3 | ||||
| 416 | G | 26.7 | Very low | 25.9 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | trans | -146.5 | 118.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 417 | Q | 27.3 | Very low | 26.1 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | trans | 61 | 145 | 146.2 | -50.9 | -159.4 | 8.5 | 0 | 0 | 119.7 | ||||
| 418 | F | 22.7 | Very low | 26 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 72% | 0.719 | 72% | 0.722 | S | S | * | * | cis | -155.9 | 175.9 | -8.6 | -138.3 | -114.3 | 0 | 0 | 0 | 111.3 | ||||
| 419 | Q | 25 | Very low | 26.1 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | trans | -51 | 151.7 | 167.3 | -64.7 | 151.6 | -19.7 | 0 | 0 | 112.7 | ||||
| 420 | Q | 25.4 | Very low | 26.2 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | cis | 72.2 | 83.7 | 40.8 | -164.1 | -179 | 17.1 | 0 | 0 | 115.7 | ||||
| 421 | L | 26.8 | Very low | 26.3 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -142.8 | 122.3 | 150.6 | -70.8 | 176 | 0 | 0 | 0 | 106.6 | ||||
| 422 | C | 23.3 | Very low | 26.3 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | 67.1 | 103.4 | 62.5 | -76.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 423 | K | 26.3 | Very low | 26.2 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 89.5 | 127.7 | 130.5 | -68.1 | -176 | 178.1 | -175.1 | 0 | 121.9 | ||||
| 424 | D | 26.8 | Very low | 26.2 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | 76.8 | 135.4 | 142.1 | -55.8 | -23.5 | 0 | 0 | 0 | 120.9 | ||||
| 425 | P | 26.9 | Very low | 26.2 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -105.2 | 143 | -175.9 | 38.5 | -31.6 | 0 | 0 | 0 | 113.6 | ||||
| 426 | Q | 26.5 | Very low | 26.2 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -152.8 | 157.8 | 149.8 | -76.6 | -153.2 | -1.8 | 0 | 0 | 112.2 | ||||
| 427 | L | 26.3 | Very low | 26.5 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | trans | 80.3 | 113.7 | 166 | -90.5 | 154.3 | 0 | 0 | 0 | 119.6 | ||||
| 428 | L | 21.9 | Very low | 26.7 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -100.1 | 127.3 | 178.5 | 170.3 | 86.3 | 0 | 0 | 0 | 109.5 | ||||
| 429 | T | 25.6 | Very low | 27.1 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -166.1 | 148.4 | 142.5 | 12.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 430 | H | 23.9 | Very low | 27.5 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | trans | -65.1 | 146.5 | -176.5 | -83.1 | -123.6 | 0 | 0 | 0 | 115.3 | Y432 | H430-Y432 AromaticContact ND1-CD2 4Å; H430-Y432 AromaticContact ND1-CE2 3.99Å | ||
| 431 | H | 28.6 | Very low | 27.8 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | -159 | 158.6 | 108.7 | -112.5 | -84.7 | 0 | 0 | 0 | 111.4 | |||||
| 432 | Y | 23.4 | Very low | 27.8 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | trans | -108.6 | 171.2 | -161.6 | -106.8 | -101.3 | 0 | 0 | 0 | 114.3 | H430 | H430-Y432 AromaticContact ND1-CD2 4Å; H430-Y432 AromaticContact ND1-CE2 3.99Å | ||
| 433 | C | 26.1 | Very low | 28.2 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 64% | 0.635 | 75% | 0.751 | S | S | * | * | trans | 78.2 | 140.3 | 165.4 | -58.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 434 | E | 29.4 | Very low | 28.2 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | cis | -163.3 | 162.9 | -4.8 | -118.4 | 155.5 | -161.1 | 0 | 0 | 111 | ||||
| 435 | D | 31.9 | Very low | 28.2 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | trans | 72.7 | 106.4 | 143.7 | -76 | 16.8 | 0 | 0 | 0 | 125.1 | ||||
| 436 | N | 30.4 | Very low | 28.1 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | 110.1 | 136 | 111 | -75.7 | -27.9 | 0 | 0 | 0 | 123.1 | |||||
| 437 | N | 31.3 | Very low | 28.1 | Very low | 135 Ų | 135 | 142 Ų | 142 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 94 | 101 | 150.3 | -64.2 | -21.3 | 0 | 0 | 0 | 122.3 | ||||
| 438 | N | 32.2 | Very low | 28.3 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | 71.4 | 109.1 | 119.4 | -81.9 | 30.2 | 0 | 0 | 0 | 123.4 | |||||
| 439 | D | 32.3 | Very low | 28.6 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | 71.7 | 112.2 | 108.2 | -72.3 | 14.3 | 0 | 0 | 0 | 123.5 | |||||
| 440 | N | 32.5 | Very low | 28.6 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | 99.3 | 125.6 | 120.4 | -75 | -31.4 | 0 | 0 | 0 | 122.8 | |||||
| 441 | N | 31.6 | Very low | 28.8 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | trans | 79.4 | 108.2 | 142.9 | -65.7 | -22.2 | 0 | 0 | 0 | 122.3 | ||||
| 442 | N | 27.8 | Very low | 28.7 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | 31.9 | 116.8 | 122.8 | -56.3 | -11.4 | 0 | 0 | 0 | 119.5 | |||||
| 443 | N | 31 | Very low | 28.9 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 87% | 0.866 | 68% | 0.678 | S | S | * | * | -173.9 | 171 | 97.7 | -104 | -13.8 | 0 | 0 | 0 | 113.5 | |||||
| 444 | E | 25.8 | Very low | 28.7 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -86.4 | 171.5 | -173.1 | -56.3 | 179.5 | 145.1 | 0 | 0 | 115.4 | ||||
| 445 | N | 26.9 | Very low | 28.5 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 59% | 0.594 | 68% | 0.684 | S | S | * | * | trans | 96.3 | 109.3 | 147.9 | -69 | -58.1 | 0 | 0 | 0 | 122.1 | ||||
| 446 | Q | 25.6 | Very low | 28.3 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | 74 | 161.5 | 126.4 | -62.3 | -178.1 | 44 | 0 | 0 | 121.8 | |||||
| 447 | S | 26.8 | Very low | 28 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | 61.4 | 155.5 | 178 | 66.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 448 | E | 28.7 | Very low | 27.7 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | cis | -159.2 | 131.9 | -17.5 | -107.6 | 163.4 | -172.5 | 0 | 0 | 106.3 | ||||
| 449 | K | 28.4 | Very low | 27.5 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 53% | 0.526 | 71% | 0.708 | S | S | . | * | 52.4 | 136.3 | 94.5 | -150.9 | 180 | 177.2 | -170.6 | 0 | 118 | S410 | S410-K449 PolarHBondContact O-NZ 2.99Å; S410-K449 PolarHBondContact OG-NZ 3.23Å | |||
| 450 | Y | 26 | Very low | 27.2 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | trans | 101.2 | 106.1 | 165.9 | -69.9 | -91.8 | 0 | 0 | 0 | 119.5 | N411 H412 | N411-Y450 WeakPolarHBondContact O-CE1 3.28Å; H412-Y450 HydrophobicContact CB-CD1 3.57Å; H412-Y450 HydrophobicContact CB-CE1 3.92Å; H412-Y450 HydrophobicContact CB-CG 4.1Å; H412-Y450 AromaticContact CD2-CD1 3.21Å; H412-Y450 WeakPolarHBondContact CD2-CD1 3.37Å; H412-Y450 AromaticContact CD2-CE1 3.47Å; H412-Y450 VanDerWaalsContact CD2-CE1 3.47Å; H412-Y450 WeakPolarHBondContact CD2-CE1 3.35Å; H412-Y450 WeakPolarHBondContact CE1-CA 3.5Å; H412-Y450 AromaticContact CG-CD1 3.25Å; H412-Y450 AromaticContact CG-CE1 3.81Å; H412-Y450 AromaticContact ND1-CD1 3.67Å | ||
| 451 | G | 28.5 | Very low | 27 | Very low | 52 Ų | 52 | 140 Ų | 140 | 54% | 0.536 | 73% | 0.726 | S | S | . | * | trans | -129.3 | -36 | 175.3 | 0 | 0 | 0 | 0 | 0 | 124.5 | H412 D413 | H412-G451 WeakPolarHBondContact CE1-CA 3.43Å; H412-G451 PolarHBondContact CE1-N 3.15Å; H412-G451 PolarHBondContact ND1-N 3.38Å; D413-G451 WeakPolarHBondContact O-CA 3.3Å; D413-G451 PolarHBondContact O-N 3.12Å | ||
| 452 | N | 27.3 | Very low | 26.7 | Very low | 85 Ų | 85 | 139 Ų | 139 | 46% | 0.455 | 73% | 0.729 | S | S | . | * | trans | 72.6 | 124.6 | 169.3 | -106.4 | -6.9 | 0 | 0 | 0 | 122.8 | H412 | H412-N452 PolarHBondContact CE1-N 3.13Å; H412-N452 PolarHBondContact ND1-N 3.22Å; H412-N452 VanDerWaalsContact ND1-N 3.11Å; H412-N452 WeakPolarHBondContact NE2-CA 3.34Å; H412-N452 WeakPolarHBondContact NE2-CB 3.07Å; H412-N452 PolarHBondContact NE2-N 3.49Å; H412-N452 VanDerWaalsContact NE2-N 3.11Å; H412-N452 PolarHBondContact NE2-ND2 3.28Å; H412-N452 PolarHBondContact NE2-OD1 2.78Å; H412-N452 VanDerWaalsContact NE2-OD1 3.17Å | ||
| 453 | Y | 25.7 | Very low | 26.6 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | trans | 84.2 | 126 | 130.1 | -90.2 | -134.9 | 0 | 0 | 0 | 125.4 | ||||
| 454 | L | 23.1 | Very low | 26.4 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | 69.1 | 131 | 146.9 | -60.4 | 172.6 | 0 | 0 | 0 | 118.7 | ||||
| 455 | E | 25.4 | Very low | 26.8 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | -165.5 | 173.6 | 59.9 | -144.1 | -168 | -171.8 | 0 | 0 | 114.4 | |||||
| 456 | Q | 27.6 | Very low | 27.2 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 66.1 | 83.3 | 156.5 | -61.5 | 178.2 | 35.7 | 0 | 0 | 121.9 | ||||
| 457 | I | 23.7 | Very low | 27.3 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 89% | 0.892 | 73% | 0.731 | S | S | * | * | -137.6 | 117.8 | 128.1 | -61.1 | -174.3 | 0 | 0 | 0 | 109.2 | |||||
| 458 | I | 25.9 | Very low | 27.3 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | -120.6 | 118.2 | 169.1 | -62.6 | 173.5 | 0 | 0 | 0 | 108.3 | ||||
| 459 | T | 27.3 | Very low | 27.1 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 73% | 0.726 | S | S | * | * | trans | 165.1 | 82.8 | 138.4 | 32.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 460 | S | 25.8 | Very low | 26.9 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -105.9 | 129 | 161.6 | 43.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 461 | N | 28.2 | Very low | 26.8 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -75.4 | 149.1 | -170 | -82 | -40.4 | 0 | 0 | 0 | 113.4 | ||||
| 462 | S | 25.6 | Very low | 26.7 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -65.4 | 131.8 | -179.2 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 463 | I | 25.5 | Very low | 26.6 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -138.5 | 132.4 | 141 | -59 | -175.8 | 0 | 0 | 0 | 107.5 | ||||
| 464 | N | 27.1 | Very low | 26.6 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -146.3 | 172 | 174.2 | -116.2 | -16 | 0 | 0 | 0 | 109.1 | ||||
| 465 | P | 33.7 | Very low | 27 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -94.5 | -161.8 | -136.1 | 45.4 | -44.8 | 0 | 0 | 0 | 112 | ||||
| 466 | P | 35.2 | Very low | 27 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -142.7 | -174.8 | 5.9 | 29 | -2.3 | 0 | 0 | 0 | 117 | ||||
| 467 | T | 27.4 | Very low | 26.7 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | 136.6 | 128 | 128.7 | 59.3 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 468 | T | 26.8 | Very low | 26.8 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | 54.8 | 105.4 | 141.2 | 55.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 469 | T | 24.4 | Very low | 26.6 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | 29.5 | 124.2 | 116.2 | 58.9 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 470 | N | 24.3 | Very low | 26.8 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | 149.1 | 127.2 | 104.9 | -158.2 | 5.7 | 0 | 0 | 0 | 111.6 | |||||
| 471 | N | 24.2 | Very low | 26.8 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 3 | 120 | 161.8 | -60.9 | -39.2 | 0 | 0 | 0 | 119 | ||||
| 472 | N | 25.5 | Very low | 26.5 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | 177.9 | 158.9 | 120.6 | -101.4 | -39.2 | 0 | 0 | 0 | 116.2 | |||||
| 473 | I | 26.3 | Very low | 26.6 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | trans | 79.1 | 109.4 | 148.8 | -70.4 | 157.6 | 0 | 0 | 0 | 120.1 | ||||
| 474 | N | 26.2 | Very low | 26.6 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | 46.4 | 107.2 | 134.8 | -52.7 | -13 | 0 | 0 | 0 | 121.1 | ||||
| 475 | H | 30.6 | Very low | 26.7 | Very low | 199 Ų | 199 | 133.2 Ų | 133.2 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -94.5 | 114.2 | 143.5 | -91 | -72.4 | 0 | 0 | 0 | 111.3 | ||||
| 476 | H | 25.9 | Very low | 26.3 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -76.5 | 160.5 | 159.7 | -98.8 | -88 | 0 | 0 | 0 | 111 | ||||
| 477 | C | 21.9 | Very low | 26 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | 18.6 | 138.9 | 135.2 | -52.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 478 | T | 24.3 | Very low | 25.9 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | cis | -169.5 | 168.3 | 38.1 | -14.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 479 | A | 22.9 | Very low | 26.3 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -52.4 | 171.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 480 | P | 31.9 | Very low | 26.3 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | cis | -153.8 | -172.7 | 35.5 | 43.3 | -19.9 | 0 | 0 | 0 | 120.4 | ||||
| 481 | T | 25.8 | Very low | 26.4 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 63.6 | 120.8 | 157.3 | 41.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 482 | Y | 21.2 | Very low | 26.2 | Very low | 221 Ų | 221 | 138.9 Ų | 138.9 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | 58.8 | 115.7 | 54 | -82 | -90.8 | 0 | 0 | 0 | 113.4 | |||||
| 483 | T | 27.4 | Very low | 26 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | -162 | 163.8 | 51.1 | 41 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 484 | N | 26 | Very low | 25.9 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -61.6 | 176.8 | 176.9 | -94.4 | -13 | 0 | 0 | 0 | 116.7 | ||||
| 485 | P | 29.8 | Very low | 25.6 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -142.7 | -177.1 | 20.8 | 45.2 | -26.6 | 0 | 0 | 0 | 118.8 | ||||
| 486 | L | 24.8 | Very low | 25.3 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 61.4 | 97.3 | 162.6 | -63.6 | 174.1 | 0 | 0 | 0 | 119.1 | ||||
| 487 | N | 28.2 | Very low | 25.2 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | -161.9 | 165.7 | 101.5 | -138.6 | -24.8 | 0 | 0 | 0 | 113.3 | |||||
| 488 | C | 25.6 | Very low | 25.2 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -82.5 | 176.8 | -175.2 | -109 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 489 | P | 35.7 | Very low | 25.2 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -122.1 | 172.9 | -137 | 43.4 | -33.4 | 0 | 0 | 0 | 115.2 | ||||
| 490 | L | 23.4 | Very low | 25.2 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -158.1 | 141.1 | 156.9 | -117.2 | 144.6 | 0 | 0 | 0 | 113.2 | ||||
| 491 | S | 26.2 | Very low | 24.9 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | 68.7 | 145.9 | 164.3 | 78.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 492 | L | 20.6 | Very low | 24.9 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | cis | -166.4 | 157.5 | -32.5 | -146.8 | 69.1 | 0 | 0 | 0 | 108 | ||||
| 493 | L | 22 | Very low | 25 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 69 | 131.8 | 153.5 | -112.2 | 70.2 | 0 | 0 | 0 | 121.8 | ||||
| 494 | S | 23.8 | Very low | 24.9 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | 119.5 | 125 | 125.7 | -155 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 495 | F | 19.9 | Very low | 24.8 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 52 | 112.1 | 153.1 | -88.1 | -115.4 | 0 | 0 | 0 | 119.8 | ||||
| 496 | V | 23.7 | Very low | 24.6 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | 75.4 | 131.2 | 61.5 | 175.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 497 | S | 24.2 | Very low | 24.7 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 75.3 | 152.1 | 175 | 87.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 498 | N | 22.7 | Very low | 24.6 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | cis | -152.6 | 166.4 | -40.6 | -123.4 | -32.8 | 0 | 0 | 0 | 109.7 | ||||
| 499 | L | 22.7 | Very low | 24.8 | Very low | 143 Ų | 143 | 138 Ų | 138 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | -35.4 | 132.2 | 168.2 | -61.2 | 162.7 | 0 | 0 | 0 | 114.5 | ||||
| 500 | N | 24.6 | Very low | 24.6 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | 151.4 | 120.9 | 125.3 | -77.9 | -32 | 0 | 0 | 0 | 113 | |||||
| 501 | K | 24.6 | Very low | 24.9 | Very low | 209 Ų | 209 | 133.6 Ų | 133.6 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | trans | 172.6 | 148.9 | 144.3 | -95.8 | 153.5 | -175.1 | -180 | 0 | 108.4 | ||||
| 502 | V | 25.2 | Very low | 25 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | cis | 161 | 156 | -20.1 | 138.4 | 0 | 0 | 0 | 0 | 105 | ||||
| 503 | S | 25 | Very low | 25.4 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | trans | 63.7 | 116.8 | 159.2 | 66.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 504 | N | 24.8 | Very low | 25.7 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | 149.8 | 150.5 | 119.5 | -79.2 | -18.3 | 0 | 0 | 0 | 111.6 | |||||
| 505 | M | 24.2 | Very low | 25.9 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | cis | -173.7 | 172.7 | -31.9 | -121.9 | -66.6 | 172.3 | 0 | 0 | 107.3 | ||||
| 506 | E | 25.6 | Very low | 26.3 | Very low | 150 Ų | 150 | 139 Ų | 139 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | 69 | 150 | -177.3 | -59.5 | -164.3 | 101.4 | 0 | 0 | 116.2 | ||||
| 507 | K | 26.8 | Very low | 26.4 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | cis | -156.3 | 123.2 | 1.9 | -132 | 164.2 | 179.2 | 138.4 | 0 | 112.2 | ||||
| 508 | I | 26.4 | Very low | 26.3 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | 26.9 | 130.3 | 129.4 | -49.1 | 170.1 | 0 | 0 | 0 | 121.5 | |||||
| 509 | T | 29.2 | Very low | 26.4 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | 169.8 | 119.6 | 123.7 | 37.1 | 0 | 0 | 0 | 0 | 114.3 | T776 | T509-T776 WeakPolarHBondContact O-CB 3.46Å; T509-T776 WeakPolarHBondContact O-CG2 3.27Å; T509-T776 PolarHBondContact O-OG1 3.24Å | |||
| 510 | D | 30.5 | Very low | 26.4 | Very low | 65 Ų | 65 | 140.9 Ų | 140.9 | 35% | 0.348 | 76% | 0.756 | S | S | . | * | trans | -52.8 | 153.4 | 175 | -66 | -92.2 | 0 | 0 | 0 | 117 | T776 N777 K778 | D510-T776 VanDerWaalsContact C-OG1 3.3Å; D510-T776 VanDerWaalsContact CA-OG1 3.31Å; D510-T776 WeakPolarHBondContact CA-OG1 3.49Å; D510-N777 VanDerWaalsContact CG-CG 3.47Å; D510-N777 PolarHBondContact N-OD1 3.39Å; D510-N777 WeakPolarHBondContact OD1-CA 3.22Å; D510-N777 VanDerWaalsContact OD1-CG 3.25Å; D510-N777 PolarHBondContact OD1-ND2 2.84Å; D510-N777 PolarHBondContact OD2-ND2 3.23Å; D510-K778 PolarHBondContact OD1-N 3.19Å; D510-K778 IonicContact OD2-NZ 2.65Å | ||
| 511 | D | 29.7 | Very low | 26.5 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | -177 | 158.2 | 121.6 | -98.5 | -11.6 | 0 | 0 | 0 | 114.9 | T776 | D511-T776 PolarHBondContact N-OG1 3.39Š| |||
| 512 | D | 29.7 | Very low | 26.7 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -85.1 | 176.5 | -157 | -81.8 | -54.9 | 0 | 0 | 0 | 119.9 | ||||
| 513 | S | 28.3 | Very low | 26.7 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 80.6 | 141.7 | 165.2 | 77.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 514 | E | 27.9 | Very low | 26.7 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | cis | -147 | 151.5 | 5.9 | -146.4 | 175.2 | -147.9 | 0 | 0 | 110.9 | ||||
| 515 | N | 28.3 | Very low | 26.7 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -119.4 | 130.4 | -166.9 | -123.9 | -38.7 | 0 | 0 | 0 | 112.5 | ||||
| 516 | K | 28.1 | Very low | 27 | Very low | 205 Ų | 205 | 143.5 Ų | 143.5 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | 169.7 | 107 | 153.1 | -96 | 156.1 | -172.8 | 179.4 | 0 | 108 | ||||
| 517 | K | 25.5 | Very low | 27 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | 56.5 | 120.6 | 55 | -75.8 | -164.5 | 175.6 | -176.6 | 0 | 115.7 | |||||
| 518 | G | 23.1 | Very low | 27.4 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 139.6 | 122.7 | 145.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 519 | G | 23.4 | Very low | 27.3 | Very low | 77 Ų | 77 | 143.3 Ų | 143.3 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 76.1 | 121.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 520 | E | 23.9 | Very low | 27.3 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | cis | 57.3 | 86.3 | 24.6 | -73.3 | -164.5 | 162.4 | 0 | 0 | 115.5 | ||||
| 521 | E | 26.9 | Very low | 27.6 | Very low | 199 Ų | 199 | 151.9 Ų | 151.9 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -134.6 | 132.9 | 147.4 | -79.7 | -166.4 | 156.1 | 0 | 0 | 110.5 | ||||
| 522 | T | 27.4 | Very low | 27.9 | Very low | 145 Ų | 145 | 158.3 Ų | 158.3 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | trans | -113.4 | 92.8 | 173.3 | 48.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 523 | E | 25.6 | Very low | 28.4 | Very low | 197 Ų | 197 | 157 Ų | 157 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -138.2 | 156.9 | 158.1 | -72.8 | -151 | 162.4 | 0 | 0 | 108.5 | ||||
| 524 | G | 24.8 | Very low | 29.2 | Very low | 60 Ų | 60 | 155.5 Ų | 155.5 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | cis | 169.8 | 140 | -0.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 525 | V | 26.1 | Very low | 30.1 | Very low | 136 Ų | 136 | 156.7 Ų | 156.7 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | 46.2 | 99.6 | 154.4 | -150.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 526 | K | 30.8 | Very low | 31 | Very low | 201 Ų | 201 | 158 Ų | 158 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | -177.8 | 94.8 | 111.5 | -97.9 | 166.3 | -168.7 | 170.4 | 0 | 111.5 | D528 | K526-D528 PolarHBondContact O-N 2.89Š| |||
| 527 | G | 25.4 | Very low | 32.1 | Very low | 74 Ų | 74 | 151.7 Ų | 151.7 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | -79.2 | 102.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R529 | G527-R529 PolarHBondContact O-N 3.12Š| ||
| 528 | D | 33.7 | Very low | 33.1 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -77.9 | 79 | 164.1 | -142.7 | -12.7 | 0 | 0 | 0 | 109.5 | K526 R530 | K526-D528 PolarHBondContact O-N 2.89Å; D528-R530 PolarHBondContact O-N 3.1Å | ||
| 529 | R | 25.6 | Very low | 34.7 | Very low | 208 Ų | 208 | 152.5 Ų | 152.5 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -67.9 | 72.8 | -177.6 | -86.8 | -177 | 168.5 | 175.5 | -1 | 111.8 | G527 Q531 | G527-R529 PolarHBondContact O-N 3.12Å; R529-Q531 PolarHBondContact O-N 2.81Å | ||
| 530 | R | 29.8 | Very low | 36.1 | Very low | 235 Ų | 235 | 151.5 Ų | 151.5 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | trans | -76.7 | 67.8 | 151.1 | -72.8 | -165.9 | 178.4 | -167.7 | 1.7 | 110.6 | D528 R532 | D528-R530 PolarHBondContact O-N 3.1Å; R530-R532 PolarHBondContact O-N 3.01Å | ||
| 531 | Q | 36.2 | Very low | 37.7 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 52% | 0.519 | 71% | 0.707 | S | S | . | * | trans | -16.5 | 92.4 | 169 | -71.5 | -100.3 | -6.9 | 0 | 0 | 114.8 | R529 R533 | R529-Q531 PolarHBondContact O-N 2.81Å; Q531-R533 HydrophobicContact CB-CG 4.44Å; Q531-R533 PolarHBondContact O-N 3.46Å | ||
| 532 | R | 36.2 | Very low | 39.2 | Very low | 250 Ų | 250 | 148.7 Ų | 148.7 | 94% | 0.943 | 70% | 0.696 | S | S | * | * | trans | -69.4 | 80 | 159.8 | -79.1 | -171.5 | 172.9 | -174.3 | 0.9 | 108.4 | R530 | R530-R532 PolarHBondContact O-N 3.01Š| ||
| 533 | R | 38.8 | Very low | 41.2 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 46% | 0.457 | 68% | 0.68 | S | S | . | * | trans | -47.5 | 118.3 | -176 | -64.3 | -161.3 | 175.2 | -164.5 | -0.4 | 111 | Q531 Q537 | Q531-R533 HydrophobicContact CB-CG 4.44Å; Q531-R533 PolarHBondContact O-N 3.46Å; R533-Q537 HydrophobicContact CB-CB 4.29Å; R533-Q537 VanDerWaalsContact CB-OE1 3.23Å | ||
| 534 | P | 46 | Very low | 43.7 | Very low | 82 Ų | 82 | 143.9 Ų | 143.9 | 53% | 0.532 | 66% | 0.663 | S | S | . | * | trans | -61.9 | 158.6 | -175.8 | 23.3 | -32.9 | 0 | 0 | 0 | 111.3 | K536 Q537 R538 | P534-K536 PolarHBondContact O-N 3.43Å; P534-Q537 HydrophobicContact CG-CB 4.22Å; P534-Q537 CarbonylContact O-C 3.59Å; P534-Q537 WeakPolarHBondContact O-CA 3.47Å; P534-Q537 PolarHBondContact O-N 3.05Å; P534-R538 PolarHBondContact O-N 3.29Å | ||
| 535 | R | 46.3 | Very low | 46 | Very low | 220 Ų | 220 | 143.5 Ų | 143.5 | 83% | 0.83 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -55.3 | -31.3 | -175.6 | -78.5 | 180 | 175.5 | 163.6 | -2.4 | 113.2 | R538 Q539 | R535-R538 CarbonylContact O-C 3.48Å; R535-R538 WeakPolarHBondContact O-CA 3.4Å; R535-R538 WeakPolarHBondContact O-CB 3.47Å; R535-R538 PolarHBondContact O-N 3.41Å; R535-Q539 PolarHBondContact O-N 3.41Å |
| 536 | K | 48.2 | Very low | 48.2 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 72% | 0.722 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.4 | -43.2 | 169.3 | -74.8 | -169.4 | 176.6 | -176.3 | 0 | 112.8 | P534 R538 Q539 C540 | P534-K536 PolarHBondContact O-N 3.43Å; K536-R538 VanDerWaalsContact C-N 3.3Å; K536-R538 PolarHBondContact O-N 3.02Å; K536-Q539 CarbonylContact O-C 3.52Å; K536-Q539 WeakPolarHBondContact O-CA 3.4Å; K536-Q539 VanDerWaalsContact O-CB 3.31Å; K536-Q539 WeakPolarHBondContact O-CB 3.49Å; K536-Q539 PolarHBondContact O-N 3.27Å; K536-Q539 VanDerWaalsContact O-N 3.11Å; K536-C540 PolarHBondContact O-N 3.17Å; K536-C540 PolarHBondContact O-SG 3.33Å |
| 537 | Q | 51.3 | Low | 50.3 | Low | 73 Ų | 73 | 139.8 Ų | 139.8 | 34% | 0.341 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -74 | -20.6 | 174.1 | -151.7 | -174.6 | 40.5 | 0 | 0 | 112.6 | R533 P534 R541 | R533-Q537 HydrophobicContact CB-CB 4.29Å; R533-Q537 VanDerWaalsContact CB-OE1 3.23Å; P534-Q537 HydrophobicContact CG-CB 4.22Å; P534-Q537 CarbonylContact O-C 3.59Å; P534-Q537 WeakPolarHBondContact O-CA 3.47Å; P534-Q537 PolarHBondContact O-N 3.05Å; Q537-R541 WeakPolarHBondContact O-CB 3.49Å; Q537-R541 PolarHBondContact O-N 2.92Å |
| 538 | R | 46.3 | Very low | 53 | Low | 179 Ų | 179 | 143.2 Ų | 143.2 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.5 | -30.4 | 166.4 | -150.5 | 172.5 | -176.3 | 175.2 | -0.7 | 111.5 | P534 R535 K536 R542 | P534-R538 PolarHBondContact O-N 3.29Å; R535-R538 CarbonylContact O-C 3.48Å; R535-R538 WeakPolarHBondContact O-CA 3.4Å; R535-R538 WeakPolarHBondContact O-CB 3.47Å; R535-R538 PolarHBondContact O-N 3.41Å; K536-R538 VanDerWaalsContact C-N 3.3Å; K536-R538 PolarHBondContact O-N 3.02Å; R538-R542 WeakPolarHBondContact O-CB 3.46Å; R538-R542 WeakPolarHBondContact O-CG 3.28Å; R538-R542 PolarHBondContact O-N 3.41Å |
| 539 | Q | 55.1 | Low | 55 | Low | 118 Ų | 118 | 140.2 Ų | 140.2 | 55% | 0.551 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.7 | -48.2 | 166.5 | -84.3 | 174.8 | -32.3 | 0 | 0 | 111.5 | R535 K536 R541 R542 Q543 | R535-Q539 PolarHBondContact O-N 3.41Å; K536-Q539 CarbonylContact O-C 3.52Å; K536-Q539 WeakPolarHBondContact O-CA 3.4Å; K536-Q539 VanDerWaalsContact O-CB 3.31Å; K536-Q539 WeakPolarHBondContact O-CB 3.49Å; K536-Q539 PolarHBondContact O-N 3.27Å; K536-Q539 VanDerWaalsContact O-N 3.11Å; Q539-R541 VanDerWaalsContact C-N 3.31Å; Q539-R541 PolarHBondContact O-N 2.94Å; Q539-R542 CarbonylContact O-C 3.48Å; Q539-R542 WeakPolarHBondContact O-CA 3.4Å; Q539-R542 WeakPolarHBondContact O-CB 3.39Å; Q539-R542 PolarHBondContact O-N 2.9Å; Q539-Q543 WeakPolarHBondContact O-CB 3.44Å; Q539-Q543 PolarHBondContact O-N 3.05Å |
| 540 | C | 53.1 | Low | 57.3 | Low | 56 Ų | 56 | 136.4 Ų | 136.4 | 38% | 0.378 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61 | -38.7 | 173.4 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | K536 R542 Q543 Q544 | K536-C540 PolarHBondContact O-N 3.17Å; K536-C540 PolarHBondContact O-SG 3.33Å; C540-R542 VanDerWaalsContact C-N 3.31Å; C540-R542 PolarHBondContact O-N 3.38Å; C540-Q543 PolarHBondContact O-N 3.3Å; C540-Q544 WeakPolarHBondContact O-CA 3.46Å; C540-Q544 WeakPolarHBondContact O-CB 3.48Å; C540-Q544 VanDerWaalsContact O-CG 3.23Å; C540-Q544 WeakPolarHBondContact O-CG 3.39Å; C540-Q544 PolarHBondContact O-N 3.4Å |
| 541 | R | 57.4 | Low | 59.8 | Low | 152 Ų | 152 | 131.6 Ų | 131.6 | 57% | 0.574 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.4 | -26.3 | 172.3 | -162.3 | 176.8 | -170.7 | 175.2 | 2.7 | 112.4 | Q537 Q539 S545 | Q537-R541 WeakPolarHBondContact O-CB 3.49Å; Q537-R541 PolarHBondContact O-N 2.92Å; Q539-R541 VanDerWaalsContact C-N 3.31Å; Q539-R541 PolarHBondContact O-N 2.94Å; R541-S545 WeakPolarHBondContact O-CA 3.48Å; R541-S545 WeakPolarHBondContact O-CB 3.49Å; R541-S545 PolarHBondContact O-N 2.94Å; R541-S545 PolarHBondContact O-OG 3.5Å |
| 542 | R | 58.4 | Low | 62 | Low | 181 Ų | 181 | 131.4 Ų | 131.4 | 68% | 0.683 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -77.7 | -33.1 | 170 | -88.2 | 179.5 | 165.3 | -177.1 | -4.2 | 113.2 | R538 Q539 C540 S545 K546 | R538-R542 WeakPolarHBondContact O-CB 3.46Å; R538-R542 WeakPolarHBondContact O-CG 3.28Å; R538-R542 PolarHBondContact O-N 3.41Å; Q539-R542 CarbonylContact O-C 3.48Å; Q539-R542 WeakPolarHBondContact O-CA 3.4Å; Q539-R542 WeakPolarHBondContact O-CB 3.39Å; Q539-R542 PolarHBondContact O-N 2.9Å; C540-R542 VanDerWaalsContact C-N 3.31Å; C540-R542 PolarHBondContact O-N 3.38Å; R542-S545 WeakPolarHBondContact CA-OG 3.46Å; R542-S545 PolarHBondContact O-OG 3.19Å; R542-S545 VanDerWaalsContact O-OG 3.14Å; R542-K546 VanDerWaalsContact O-CB 3.29Å; R542-K546 WeakPolarHBondContact O-CB 3.38Å; R542-K546 VanDerWaalsContact O-CG 3.31Å; R542-K546 WeakPolarHBondContact O-CG 3.24Å; R542-K546 PolarHBondContact O-N 2.91Å |
| 543 | Q | 69.7 | Low | 64.2 | Low | 121 Ų | 121 | 124.9 Ų | 124.9 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -75.7 | -45.5 | 174.9 | -77.3 | 175.7 | -20.5 | 0 | 0 | 110 | Q539 C540 S545 K546 Q547 | Q539-Q543 WeakPolarHBondContact O-CB 3.44Å; Q539-Q543 PolarHBondContact O-N 3.05Å; C540-Q543 PolarHBondContact O-N 3.3Å; Q543-S545 VanDerWaalsContact C-N 3.35Å; Q543-K546 CarbonylContact O-C 3.52Å; Q543-K546 WeakPolarHBondContact O-CA 3.47Å; Q543-K546 WeakPolarHBondContact O-CB 3.1Å; Q543-K546 PolarHBondContact O-N 3.48Å; Q543-K546 VanDerWaalsContact O-N 3.14Å; Q543-Q547 WeakPolarHBondContact O-CB 3.48Å; Q543-Q547 PolarHBondContact O-N 2.87Å |
| 544 | Q | 78.1 | Confident | 66.2 | Low | 120 Ų | 120 | 126.1 Ų | 126.1 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.2 | -36.3 | 167.9 | -70.9 | 175.8 | -5.8 | 0 | 0 | 111.5 | C540 K548 | C540-Q544 WeakPolarHBondContact O-CA 3.46Å; C540-Q544 WeakPolarHBondContact O-CB 3.48Å; C540-Q544 VanDerWaalsContact O-CG 3.23Å; C540-Q544 WeakPolarHBondContact O-CG 3.39Å; C540-Q544 PolarHBondContact O-N 3.4Å; Q544-K548 WeakPolarHBondContact O-CA 3.5Å; Q544-K548 WeakPolarHBondContact O-CB 3.49Å; Q544-K548 PolarHBondContact O-N 3.02Å |
| 545 | S | 73.3 | Confident | 68.1 | Low | 52 Ų | 52 | 127.7 Ų | 127.7 | 36% | 0.364 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.6 | -29.6 | 171.4 | 77.6 | 0 | 0 | 0 | 0 | 112.1 | R541 R542 Q543 N549 | R541-S545 WeakPolarHBondContact O-CA 3.48Å; R541-S545 WeakPolarHBondContact O-CB 3.49Å; R541-S545 PolarHBondContact O-N 2.94Å; R541-S545 PolarHBondContact O-OG 3.5Å; R542-S545 WeakPolarHBondContact CA-OG 3.46Å; R542-S545 PolarHBondContact O-OG 3.19Å; R542-S545 VanDerWaalsContact O-OG 3.14Å; Q543-S545 VanDerWaalsContact C-N 3.35Å; S545-N549 WeakPolarHBondContact O-CA 3.36Å; S545-N549 WeakPolarHBondContact O-CB 3.38Å; S545-N549 PolarHBondContact O-N 3.22Å; S545-N549 PolarHBondContact O-OD1 3.17Å |
| 546 | K | 72 | Confident | 69.8 | Low | 145 Ų | 145 | 122.2 Ų | 122.2 | 63% | 0.63 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67 | -48.4 | 170 | -86.6 | -177.4 | 174.3 | -171.9 | 0 | 110.7 | R542 Q543 N549 Q550 | R542-K546 VanDerWaalsContact O-CB 3.29Å; R542-K546 WeakPolarHBondContact O-CB 3.38Å; R542-K546 VanDerWaalsContact O-CG 3.31Å; R542-K546 WeakPolarHBondContact O-CG 3.24Å; R542-K546 PolarHBondContact O-N 2.91Å; Q543-K546 CarbonylContact O-C 3.52Å; Q543-K546 WeakPolarHBondContact O-CA 3.47Å; Q543-K546 WeakPolarHBondContact O-CB 3.1Å; Q543-K546 PolarHBondContact O-N 3.48Å; Q543-K546 VanDerWaalsContact O-N 3.14Å; K546-N549 CarbonylContact O-C 3.54Å; K546-N549 PolarHBondContact O-N 3.49Å; K546-Q550 VanDerWaalsContact O-CB 3.24Å; K546-Q550 WeakPolarHBondContact O-CB 3.48Å; K546-Q550 VanDerWaalsContact O-CG 3.22Å; K546-Q550 WeakPolarHBondContact O-CG 3.34Å; K546-Q550 PolarHBondContact O-N 3.05Å |
| 547 | Q | 76.3 | Confident | 71.5 | Confident | 114 Ų | 114 | 118.6 Ų | 118.6 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 175.7 | -77.6 | -179.7 | -18.5 | 0 | 0 | 111.6 | Q543 Q550 Q551 | Q543-Q547 WeakPolarHBondContact O-CB 3.48Å; Q543-Q547 PolarHBondContact O-N 2.87Å; Q547-Q550 CarbonylContact O-C 3.59Å; Q547-Q550 PolarHBondContact O-N 3.49Å; Q547-Q551 VanDerWaalsContact O-CB 3.26Å; Q547-Q551 WeakPolarHBondContact O-CB 3.15Å; Q547-Q551 VanDerWaalsContact O-CG 3.24Å; Q547-Q551 WeakPolarHBondContact O-CG 3.29Å; Q547-Q551 PolarHBondContact O-N 3.48Å |
| 548 | K | 82 | Confident | 72.9 | Confident | 147 Ų | 147 | 124.5 Ų | 124.5 | 64% | 0.639 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74.2 | -30.8 | 177.5 | -157.4 | 172.4 | -165 | 177.7 | 0 | 111.8 | Q544 Q552 | Q544-K548 WeakPolarHBondContact O-CA 3.5Å; Q544-K548 WeakPolarHBondContact O-CB 3.49Å; Q544-K548 PolarHBondContact O-N 3.02Å; K548-Q552 VanDerWaalsContact O-CB 3.24Å; K548-Q552 WeakPolarHBondContact O-CB 3.35Å; K548-Q552 WeakPolarHBondContact O-CG 3.47Å; K548-Q552 PolarHBondContact O-N 2.84Å |
| 549 | N | 76 | Confident | 74.7 | Confident | 93 Ų | 93 | 120 Ų | 120 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.5 | -32.5 | 167.2 | -76.4 | -3.5 | 0 | 0 | 0 | 112.2 | S545 K546 H553 | S545-N549 WeakPolarHBondContact O-CA 3.36Å; S545-N549 WeakPolarHBondContact O-CB 3.38Å; S545-N549 PolarHBondContact O-N 3.22Å; S545-N549 PolarHBondContact O-OD1 3.17Å; K546-N549 CarbonylContact O-C 3.54Å; K546-N549 PolarHBondContact O-N 3.49Å; N549-H553 VanDerWaalsContact O-CB 3.27Å; N549-H553 WeakPolarHBondContact O-CB 3.45Å; N549-H553 PolarHBondContact O-N 2.81Å |
| 550 | Q | 73.7 | Confident | 75.9 | Confident | 129 Ų | 129 | 122.9 Ų | 122.9 | 60% | 0.603 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.6 | -42.7 | 173.7 | -81.3 | 173.3 | -4.9 | 0 | 0 | 110.4 | K546 Q547 H553 H554 | K546-Q550 VanDerWaalsContact O-CB 3.24Å; K546-Q550 WeakPolarHBondContact O-CB 3.48Å; K546-Q550 VanDerWaalsContact O-CG 3.22Å; K546-Q550 WeakPolarHBondContact O-CG 3.34Å; K546-Q550 PolarHBondContact O-N 3.05Å; Q547-Q550 CarbonylContact O-C 3.59Å; Q547-Q550 PolarHBondContact O-N 3.49Å; Q550-H553 CarbonylContact O-C 3.52Å; Q550-H553 PolarHBondContact O-N 3.28Å; Q550-H554 WeakPolarHBondContact O-CB 3.23Å; Q550-H554 PolarHBondContact O-N 2.91Å |
| 551 | Q | 80.6 | Confident | 77 | Confident | 133 Ų | 133 | 125.8 Ų | 125.8 | 62% | 0.621 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.2 | -39.5 | 171 | -74.5 | 175.7 | 5.5 | 0 | 0 | 111 | Q547 H554 H555 | Q547-Q551 VanDerWaalsContact O-CB 3.26Å; Q547-Q551 WeakPolarHBondContact O-CB 3.15Å; Q547-Q551 VanDerWaalsContact O-CG 3.24Å; Q547-Q551 WeakPolarHBondContact O-CG 3.29Å; Q547-Q551 PolarHBondContact O-N 3.48Å; Q551-H554 PolarHBondContact O-N 3.02Å; Q551-H555 WeakPolarHBondContact O-CA 3.33Å; Q551-H555 WeakPolarHBondContact O-CB 3.23Å; Q551-H555 PolarHBondContact O-N 2.87Å |
| 552 | Q | 83.7 | Confident | 78.2 | Confident | 108 Ų | 108 | 124.9 Ų | 124.9 | 51% | 0.505 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.1 | -38 | 169.2 | -87.9 | -171 | -24.5 | 0 | 0 | 111.8 | K548 H555 Q556 | K548-Q552 VanDerWaalsContact O-CB 3.24Å; K548-Q552 WeakPolarHBondContact O-CB 3.35Å; K548-Q552 WeakPolarHBondContact O-CG 3.47Å; K548-Q552 PolarHBondContact O-N 2.84Å; Q552-H555 PolarHBondContact O-N 3.47Å; Q552-Q556 WeakPolarHBondContact O-CA 3.49Å; Q552-Q556 WeakPolarHBondContact O-CB 3.26Å; Q552-Q556 WeakPolarHBondContact O-CG 3.16Å; Q552-Q556 PolarHBondContact O-N 3.03Å |
| 553 | H | 81.1 | Confident | 79 | Confident | 112 Ų | 112 | 121.6 Ų | 121.6 | 52% | 0.519 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.6 | -38.7 | 175.1 | -114 | -79.7 | 0 | 0 | 0 | 111.3 | N549 Q550 H557 | N549-H553 VanDerWaalsContact O-CB 3.27Å; N549-H553 WeakPolarHBondContact O-CB 3.45Å; N549-H553 PolarHBondContact O-N 2.81Å; Q550-H553 CarbonylContact O-C 3.52Å; Q550-H553 PolarHBondContact O-N 3.28Å; H553-H557 WeakPolarHBondContact O-CA 3.46Å; H553-H557 WeakPolarHBondContact O-CB 3.31Å; H553-H557 PolarHBondContact O-N 3.21Å |
| 554 | H | 81 | Confident | 79 | Confident | 147 Ų | 147 | 121.4 Ų | 121.4 | 68% | 0.681 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.3 | -39.3 | 173.9 | -103.9 | 12 | 0 | 0 | 0 | 111.3 | Q550 Q551 H557 R558 | Q550-H554 WeakPolarHBondContact O-CB 3.23Å; Q550-H554 PolarHBondContact O-N 2.91Å; Q551-H554 PolarHBondContact O-N 3.02Å; H554-H557 PolarHBondContact O-N 3.28Å; H554-R558 WeakPolarHBondContact O-CB 3.01Å; H554-R558 PolarHBondContact O-N 3.32Å |
| 555 | H | 86.1 | Confident | 78.9 | Confident | 115 Ų | 115 | 119.4 Ų | 119.4 | 53% | 0.532 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.1 | -45.2 | 176.2 | -159.4 | 88.3 | 0 | 0 | 0 | 110.3 | Q551 Q552 H557 R558 Q559 | Q551-H555 WeakPolarHBondContact O-CA 3.33Å; Q551-H555 WeakPolarHBondContact O-CB 3.23Å; Q551-H555 PolarHBondContact O-N 2.87Å; Q552-H555 PolarHBondContact O-N 3.47Å; H555-H557 VanDerWaalsContact C-N 3.34Å; H555-H557 PolarHBondContact O-N 3.32Å; H555-R558 CarbonylContact O-C 3.59Å; H555-R558 PolarHBondContact O-N 2.96Å; H555-Q559 PolarHBondContact NE2-NE2 2.96Å; H555-Q559 WeakPolarHBondContact O-CB 3.43Å; H555-Q559 WeakPolarHBondContact O-CG 3.44Å; H555-Q559 PolarHBondContact O-N 3.45Å |
| 556 | Q | 83.5 | Confident | 78.6 | Confident | 105 Ų | 105 | 121.1 Ų | 121.1 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.6 | -35 | 171.4 | -73.9 | 179 | 2.3 | 0 | 0 | 112.5 | Q552 R560 | Q552-Q556 WeakPolarHBondContact O-CA 3.49Å; Q552-Q556 WeakPolarHBondContact O-CB 3.26Å; Q552-Q556 WeakPolarHBondContact O-CG 3.16Å; Q552-Q556 PolarHBondContact O-N 3.03Å; Q556-R560 WeakPolarHBondContact O-CA 3.43Å; Q556-R560 WeakPolarHBondContact O-CB 3.49Å; Q556-R560 VanDerWaalsContact O-CG 3.26Å; Q556-R560 WeakPolarHBondContact O-CG 3.03Å; Q556-R560 PolarHBondContact O-N 2.81Å |
| 557 | H | 82.6 | Confident | 78.2 | Confident | 91 Ų | 91 | 119.7 Ų | 119.7 | 42% | 0.421 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -73.8 | -37.1 | 175.1 | -176 | 56.5 | 0 | 0 | 0 | 111.4 | H553 H554 H555 R560 K561 | H553-H557 WeakPolarHBondContact O-CA 3.46Å; H553-H557 WeakPolarHBondContact O-CB 3.31Å; H553-H557 PolarHBondContact O-N 3.21Å; H554-H557 PolarHBondContact O-N 3.28Å; H555-H557 VanDerWaalsContact C-N 3.34Å; H555-H557 PolarHBondContact O-N 3.32Å; H557-R560 PolarHBondContact O-N 2.96Å; H557-K561 VanDerWaalsContact NE2-CE 3.27Å; H557-K561 WeakPolarHBondContact NE2-CE 3.41Å; H557-K561 PolarHBondContact NE2-NZ 3.39Å; H557-K561 WeakPolarHBondContact O-CB 3.43Å; H557-K561 WeakPolarHBondContact O-CG 3.3Å; H557-K561 PolarHBondContact O-N 3.04Å |
| 558 | R | 80.7 | Confident | 77.4 | Confident | 197 Ų | 197 | 120.9 Ų | 120.9 | 74% | 0.743 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.7 | -38.4 | 173.8 | -163.3 | 175.4 | -166.3 | -177.5 | 4.2 | 110.9 | H554 H555 K561 K562 | H554-R558 WeakPolarHBondContact O-CB 3.01Å; H554-R558 PolarHBondContact O-N 3.32Å; H555-R558 CarbonylContact O-C 3.59Å; H555-R558 PolarHBondContact O-N 2.96Å; R558-K561 PolarHBondContact O-N 2.69Å; R558-K562 VanDerWaalsContact O-CB 3.23Å; R558-K562 WeakPolarHBondContact O-CB 3.29Å; R558-K562 PolarHBondContact O-N 2.72Å |
| 559 | Q | 84.6 | Confident | 76.3 | Confident | 83 Ų | 83 | 120.2 Ų | 120.2 | 39% | 0.388 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.4 | -36.2 | 172.1 | -67.9 | -70 | 11.8 | 0 | 0 | 111.5 | H555 K562 L563 | H555-Q559 PolarHBondContact NE2-NE2 2.96Å; H555-Q559 WeakPolarHBondContact O-CB 3.43Å; H555-Q559 WeakPolarHBondContact O-CG 3.44Å; H555-Q559 PolarHBondContact O-N 3.45Å; Q559-K562 CarbonylContact O-C 3.51Å; Q559-K562 PolarHBondContact O-N 2.8Å; Q559-L563 WeakPolarHBondContact O-CB 3.35Å; Q559-L563 VanDerWaalsContact O-CG 3.24Å; Q559-L563 WeakPolarHBondContact O-CG 3.47Å; Q559-L563 PolarHBondContact O-N 3.46Å |
| 560 | R | 79.5 | Confident | 75.2 | Confident | 180 Ų | 180 | 124.6 Ų | 124.6 | 68% | 0.679 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.7 | -40.5 | 170.2 | -83.6 | 178.5 | 169.2 | 177.7 | -3.7 | 111.6 | Q556 H557 L563 Q564 | Q556-R560 WeakPolarHBondContact O-CA 3.43Å; Q556-R560 WeakPolarHBondContact O-CB 3.49Å; Q556-R560 VanDerWaalsContact O-CG 3.26Å; Q556-R560 WeakPolarHBondContact O-CG 3.03Å; Q556-R560 PolarHBondContact O-N 2.81Å; H557-R560 PolarHBondContact O-N 2.96Å; R560-L563 PolarHBondContact O-N 3.14Å; R560-Q564 WeakPolarHBondContact O-CB 3.3Å; R560-Q564 PolarHBondContact O-N 3.04Å |
| 561 | K | 77.8 | Confident | 74.1 | Confident | 117 Ų | 117 | 124.1 Ų | 124.1 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -41.4 | 170.1 | -81.2 | -176.5 | 168.6 | 176.1 | 0 | 111.2 | H557 R558 Q564 V565 | H557-K561 VanDerWaalsContact NE2-CE 3.27Å; H557-K561 WeakPolarHBondContact NE2-CE 3.41Å; H557-K561 PolarHBondContact NE2-NZ 3.39Å; H557-K561 WeakPolarHBondContact O-CB 3.43Å; H557-K561 WeakPolarHBondContact O-CG 3.3Å; H557-K561 PolarHBondContact O-N 3.04Å; R558-K561 PolarHBondContact O-N 2.69Å; K561-Q564 PolarHBondContact O-N 3.1Å; K561-V565 VanDerWaalsContact O-CB 3.24Å; K561-V565 WeakPolarHBondContact O-CB 3.42Å; K561-V565 WeakPolarHBondContact O-CG2 3.42Å; K561-V565 PolarHBondContact O-N 3.09Å |
| 562 | K | 81.1 | Confident | 72.3 | Confident | 133 Ų | 133 | 123.3 Ų | 123.3 | 58% | 0.578 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.1 | -37 | 178.1 | -154.3 | 176.8 | -170.2 | -173 | 0 | 112 | R558 Q559 N566 | R558-K562 VanDerWaalsContact O-CB 3.23Å; R558-K562 WeakPolarHBondContact O-CB 3.29Å; R558-K562 PolarHBondContact O-N 2.72Å; Q559-K562 CarbonylContact O-C 3.51Å; Q559-K562 PolarHBondContact O-N 2.8Å; K562-N566 WeakPolarHBondContact O-CB 3.25Å; K562-N566 PolarHBondContact O-N 3.45Å |
| 563 | L | 75.3 | Confident | 70.4 | Confident | 111 Ų | 111 | 124.9 Ų | 124.9 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.4 | -52.1 | 171 | -78.4 | 168.6 | 0 | 0 | 0 | 110 | Q559 R560 V565 N566 E567 | Q559-L563 WeakPolarHBondContact O-CB 3.35Å; Q559-L563 VanDerWaalsContact O-CG 3.24Å; Q559-L563 WeakPolarHBondContact O-CG 3.47Å; Q559-L563 PolarHBondContact O-N 3.46Å; R560-L563 PolarHBondContact O-N 3.14Å; L563-V565 VanDerWaalsContact C-N 3.3Å; L563-V565 PolarHBondContact O-N 2.77Å; L563-N566 CarbonylContact O-C 3.13Å; L563-N566 VanDerWaalsContact O-C 3.32Å; L563-N566 WeakPolarHBondContact O-CA 2.96Å; L563-N566 WeakPolarHBondContact O-CB 3.42Å; L563-N566 PolarHBondContact O-N 3.37Å; L563-E567 WeakPolarHBondContact O-CA 3.43Å; L563-E567 VanDerWaalsContact O-CB 3.23Å; L563-E567 WeakPolarHBondContact O-CB 3.36Å; L563-E567 PolarHBondContact O-N 2.78Å |
| 564 | Q | 69.8 | Low | 68.6 | Low | 117 Ų | 117 | 127.4 Ų | 127.4 | 55% | 0.547 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -32.1 | 179.2 | -169 | 173.7 | 54.7 | 0 | 0 | 112.7 | R560 K561 K568 | R560-Q564 WeakPolarHBondContact O-CB 3.3Å; R560-Q564 PolarHBondContact O-N 3.04Å; K561-Q564 PolarHBondContact O-N 3.1Å; Q564-K568 WeakPolarHBondContact O-CB 3.31Å; Q564-K568 WeakPolarHBondContact O-CG 3.24Å; Q564-K568 PolarHBondContact O-N 3.2Å |
| 565 | V | 75.8 | Confident | 66.5 | Low | 79 Ų | 79 | 128.2 Ų | 128.2 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.6 | -43.7 | 168.6 | 168.2 | 0 | 0 | 0 | 0 | 110.8 | K561 L563 E567 K568 F569 | K561-V565 VanDerWaalsContact O-CB 3.24Å; K561-V565 WeakPolarHBondContact O-CB 3.42Å; K561-V565 WeakPolarHBondContact O-CG2 3.42Å; K561-V565 PolarHBondContact O-N 3.09Å; L563-V565 VanDerWaalsContact C-N 3.3Å; L563-V565 PolarHBondContact O-N 2.77Å; V565-E567 PolarHBondContact O-N 2.85Å; V565-K568 PolarHBondContact O-N 3.33Å; V565-F569 HydrophobicContact CG1-CD2 4.16Å; V565-F569 WeakPolarHBondContact O-CB 3.37Å; V565-F569 PolarHBondContact O-N 2.84Å |
| 566 | N | 68.3 | Low | 64.1 | Low | 88 Ų | 88 | 131.5 Ų | 131.5 | 47% | 0.471 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.8 | -22.8 | 172.9 | -80.7 | 1.8 | 0 | 0 | 0 | 113.2 | K562 L563 F569 R570 | K562-N566 WeakPolarHBondContact O-CB 3.25Å; K562-N566 PolarHBondContact O-N 3.45Å; L563-N566 CarbonylContact O-C 3.13Å; L563-N566 VanDerWaalsContact O-C 3.32Å; L563-N566 WeakPolarHBondContact O-CA 2.96Å; L563-N566 WeakPolarHBondContact O-CB 3.42Å; L563-N566 PolarHBondContact O-N 3.37Å; N566-F569 CarbonylContact O-C 3.54Å; N566-R570 VanDerWaalsContact O-CB 3.25Å; N566-R570 WeakPolarHBondContact O-CB 3.43Å; N566-R570 PolarHBondContact O-N 2.83Å |
| 567 | E | 62.7 | Low | 61.5 | Low | 114 Ų | 114 | 131.2 Ų | 131.2 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -83.5 | -41.8 | 178.9 | -150.3 | 166.6 | -143.9 | 0 | 0 | 109.1 | L563 V565 F569 R570 Q571 | L563-E567 WeakPolarHBondContact O-CA 3.43Å; L563-E567 VanDerWaalsContact O-CB 3.23Å; L563-E567 WeakPolarHBondContact O-CB 3.36Å; L563-E567 PolarHBondContact O-N 2.78Å; V565-E567 PolarHBondContact O-N 2.85Å; E567-F569 VanDerWaalsContact C-N 3.32Å; E567-F569 PolarHBondContact O-N 3.18Å; E567-R570 CarbonylContact O-C 3.6Å; E567-R570 PolarHBondContact O-N 2.89Å; E567-Q571 WeakPolarHBondContact O-CB 3.38Å; E567-Q571 VanDerWaalsContact O-CG 3.29Å; E567-Q571 WeakPolarHBondContact O-CG 3.42Å; E567-Q571 PolarHBondContact O-N 3.45Å |
| 568 | K | 59.1 | Low | 58.9 | Low | 140 Ų | 140 | 132.5 Ų | 132.5 | 61% | 0.609 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59.7 | -40.6 | 163.5 | -74 | -177.4 | 176.3 | -166.9 | 0 | 111.8 | Q564 V565 N572 | Q564-K568 WeakPolarHBondContact O-CB 3.31Å; Q564-K568 WeakPolarHBondContact O-CG 3.24Å; Q564-K568 PolarHBondContact O-N 3.2Å; V565-K568 PolarHBondContact O-N 3.33Å; K568-N572 WeakPolarHBondContact O-CB 3.24Å; K568-N572 PolarHBondContact O-N 3.1Å |
| 569 | F | 58.6 | Low | 56.4 | Low | 132 Ų | 132 | 132 Ų | 132 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.1 | -32.9 | 172.9 | -104.8 | -80.5 | 0 | 0 | 0 | 113 | V565 N566 E567 K573 | V565-F569 HydrophobicContact CG1-CD2 4.16Å; V565-F569 WeakPolarHBondContact O-CB 3.37Å; V565-F569 PolarHBondContact O-N 2.84Å; N566-F569 CarbonylContact O-C 3.54Å; E567-F569 VanDerWaalsContact C-N 3.32Å; E567-F569 PolarHBondContact O-N 3.18Å; F569-K573 VanDerWaalsContact O-CB 3.3Å; F569-K573 WeakPolarHBondContact O-CB 3.24Å; F569-K573 PolarHBondContact O-N 3.14Å |
| 570 | R | 53.6 | Low | 53.7 | Low | 186 Ų | 186 | 132.6 Ų | 132.6 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.8 | -39.8 | 173.6 | -98.2 | -174.9 | 165.7 | -177.7 | -5.1 | 111.6 | N566 E567 N572 K573 Q574 | N566-R570 VanDerWaalsContact O-CB 3.25Å; N566-R570 WeakPolarHBondContact O-CB 3.43Å; N566-R570 PolarHBondContact O-N 2.83Å; E567-R570 CarbonylContact O-C 3.6Å; E567-R570 PolarHBondContact O-N 2.89Å; R570-N572 VanDerWaalsContact C-N 3.33Å; R570-K573 PolarHBondContact O-N 3.07Å; R570-Q574 VanDerWaalsContact O-CB 3.24Å; R570-Q574 WeakPolarHBondContact O-CB 3.43Å; R570-Q574 WeakPolarHBondContact O-CG 3.26Å; R570-Q574 PolarHBondContact O-N 3.04Å |
| 571 | Q | 49.7 | Very low | 51.4 | Low | 119 Ų | 119 | 130.6 Ų | 130.6 | 56% | 0.556 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.5 | -37.8 | 173.5 | -72.8 | 174.2 | -1.5 | 0 | 0 | 110.9 | E567 K575 | E567-Q571 WeakPolarHBondContact O-CB 3.38Å; E567-Q571 VanDerWaalsContact O-CG 3.29Å; E567-Q571 WeakPolarHBondContact O-CG 3.42Å; E567-Q571 PolarHBondContact O-N 3.45Å; Q571-K575 PolarHBondContact O-N 3.44Å |
| 572 | N | 42.9 | Very low | 49.1 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.8 | -36.3 | 171.3 | -84.3 | -1.1 | 0 | 0 | 0 | 113.4 | K568 R570 K575 | K568-N572 WeakPolarHBondContact O-CB 3.24Å; K568-N572 PolarHBondContact O-N 3.1Å; R570-N572 VanDerWaalsContact C-N 3.33Å; N572-K575 PolarHBondContact O-N 2.65Å |
| 573 | K | 43.7 | Very low | 46.5 | Very low | 141 Ų | 141 | 133 Ų | 133 | 61% | 0.613 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -76.3 | -30.5 | 175.3 | -82.7 | -163.4 | 168.9 | -166.8 | 0 | 113.8 | F569 R570 K575 F576 S577 | F569-K573 VanDerWaalsContact O-CB 3.3Å; F569-K573 WeakPolarHBondContact O-CB 3.24Å; F569-K573 PolarHBondContact O-N 3.14Å; R570-K573 PolarHBondContact O-N 3.07Å; K573-K575 PolarHBondContact O-N 3.36Å; K573-F576 CarbonylContact O-C 3.53Å; K573-F576 PolarHBondContact O-N 2.94Å; K573-S577 PolarHBondContact O-N 3.39Å |
| 574 | Q | 43.7 | Very low | 44.2 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 77% | 0.771 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -13.3 | 169.7 | -79.1 | -177.6 | -37.9 | 0 | 0 | 112.4 | R570 | R570-Q574 VanDerWaalsContact O-CB 3.24Å; R570-Q574 WeakPolarHBondContact O-CB 3.43Å; R570-Q574 WeakPolarHBondContact O-CG 3.26Å; R570-Q574 PolarHBondContact O-N 3.04Å |
| 575 | K | 37.5 | Very low | 42.2 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -11.5 | 165 | -76.4 | -171.5 | 170.2 | -173 | 0 | 114.3 | Q571 N572 K573 | Q571-K575 PolarHBondContact O-N 3.44Å; N572-K575 PolarHBondContact O-N 2.65Å; K573-K575 PolarHBondContact O-N 3.36Å |
| 576 | F | 34.8 | Very low | 40 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 80% | 0.803 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -149.8 | 75.5 | 179.7 | -70.5 | -73.6 | 0 | 0 | 0 | 113.6 | K573 | K573-F576 CarbonylContact O-C 3.53Å; K573-F576 PolarHBondContact O-N 2.94Å |
| 577 | S | 28.8 | Very low | 38.3 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 177.1 | 94 | 142.5 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | K573 | K573-S577 PolarHBondContact O-N 3.39Š|
| 578 | S | 29.6 | Very low | 36.7 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | 172 | 75.5 | 135 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 579 | L | 27.4 | Very low | 35.4 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 97% | 0.969 | 73% | 0.726 | S | S | * | * | trans | -106.9 | 88.1 | 153.7 | -152.1 | 85.7 | 0 | 0 | 0 | 106.1 | ||||
| 580 | S | 28.4 | Very low | 34 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | -165.2 | 143.3 | 178.5 | -163.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 581 | N | 30.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 70.6 | 99.7 | 176.5 | -57 | -13.9 | 0 | 0 | 0 | 114.9 | ||||
| 582 | N | 28.8 | Very low | 31.5 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | 97 | 139.2 | 41.7 | -74 | -11 | 0 | 0 | 0 | 114 | ||||
| 583 | N | 26.8 | Very low | 30.7 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | 81.4 | 123.9 | 153 | -68.7 | -4.8 | 0 | 0 | 0 | 120.3 | ||||
| 584 | G | 26.7 | Very low | 29.8 | Very low | 64 Ų | 64 | 141.7 Ų | 141.7 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | trans | 175.4 | 53 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 585 | N | 28.8 | Very low | 28.9 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 67.3 | 158.2 | 163.9 | -49.3 | -23.5 | 0 | 0 | 0 | 115.4 | ||||
| 586 | N | 29.9 | Very low | 28.3 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | cis | -163.9 | 170.7 | -16.6 | -102.8 | -10.9 | 0 | 0 | 0 | 106.6 | ||||
| 587 | H | 32.9 | Very low | 27.8 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | cis | -154.6 | 160.2 | 5.5 | -108.9 | -38.1 | 0 | 0 | 0 | 110.9 | ||||
| 588 | N | 29 | Very low | 27.7 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 22.4 | 138.5 | 144.1 | -59.2 | -17.5 | 0 | 0 | 0 | 124.4 | ||||
| 589 | G | 32.2 | Very low | 27.6 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | 127 | 78.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 590 | K | 27.7 | Very low | 28 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | 54.2 | 118.2 | 82.8 | -87.4 | -171.7 | 179.7 | 175.1 | 0 | 117.3 | |||||
| 591 | K | 27.6 | Very low | 27.9 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | 69.3 | 155.1 | 157.2 | -65.8 | -177.8 | 173.2 | -171.7 | 0 | 117.1 | ||||
| 592 | R | 24.1 | Very low | 27.7 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | cis | 160.4 | 164.2 | -24 | -138.9 | -166.5 | -130 | 162.3 | -1.5 | 104.5 | ||||
| 593 | D | 26.6 | Very low | 27.5 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 67% | 0.668 | 76% | 0.758 | S | S | * | * | trans | 72.6 | 114.8 | 164 | -40.3 | -35.2 | 0 | 0 | 0 | 113.9 | ||||
| 594 | C | 24.1 | Very low | 27.3 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 72% | 0.716 | 76% | 0.757 | S | S | * | * | cis | 94 | 139.7 | 45 | -72.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 595 | E | 24.2 | Very low | 27.3 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 67.6 | 148.8 | 173.6 | -64.1 | 141.1 | -133.9 | 0 | 0 | 115 | ||||
| 596 | T | 25.4 | Very low | 27.2 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | cis | -154.2 | 125.6 | 25.1 | -29.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 597 | L | 23.3 | Very low | 26.9 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | 48.7 | 96 | 82.8 | -75.7 | 177.5 | 0 | 0 | 0 | 117.7 | |||||
| 598 | S | 26.9 | Very low | 26.4 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -174.4 | 87.8 | 153 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 599 | I | 27.4 | Very low | 26.2 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | 48.4 | 161.4 | 96.5 | 7 | -172.9 | 0 | 0 | 0 | 117.7 | |||||
| 600 | P | 36 | Very low | 25.8 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | -119.6 | -130.8 | -114.4 | 44.3 | -25.5 | 0 | 0 | 0 | 113.8 | |||||
| 601 | F | 27.4 | Very low | 25.7 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | trans | 96.5 | 137.5 | -174.1 | -68.7 | -90.1 | 0 | 0 | 0 | 113.9 | ||||
| 602 | S | 26.4 | Very low | 25.5 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | cis | -173.8 | 147.9 | -8.5 | 47.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 603 | S | 24.3 | Very low | 25.8 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | 47.7 | 158.9 | 140.1 | 62.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 604 | F | 22.3 | Very low | 25.9 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | cis | 174.5 | 166.3 | -36.4 | -131.2 | -79.7 | 0 | 0 | 0 | 107.6 | ||||
| 605 | V | 26.3 | Very low | 25.9 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 69.4 | 142.5 | 167.3 | -129.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 606 | S | 26.4 | Very low | 25.9 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | cis | -159.1 | 161.2 | 30.2 | -48.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 607 | S | 25.5 | Very low | 26 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 43.5 | 119.3 | 150.6 | 55.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 608 | L | 20.5 | Very low | 25.9 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 94% | 0.937 | 78% | 0.78 | S | S | * | * | cis | 62.4 | 94.8 | 41.6 | -128.6 | 93.4 | 0 | 0 | 0 | 115.4 | ||||
| 609 | S | 25.9 | Very low | 26 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -154.4 | 135.3 | 159.3 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 610 | S | 23.4 | Very low | 25.8 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -61.1 | 152.7 | -179.9 | 51.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 611 | L | 25.4 | Very low | 25.3 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | -166.5 | 128 | 123.1 | -124.2 | 74.8 | 0 | 0 | 0 | 113.2 | |||||
| 612 | S | 24 | Very low | 25 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 16.7 | 119.4 | 154.1 | 57.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 613 | P | 30.7 | Very low | 24.8 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 142.2 | 149 | 35 | -29 | 0 | 0 | 0 | 111.6 | ||
| 614 | S | 27.5 | Very low | 24.8 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 143.3 | 178.9 | 43.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 615 | L | 24.3 | Very low | 24.9 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 147.7 | 162.4 | -74.9 | 115.2 | 0 | 0 | 0 | 109.9 | ||
| 616 | P | 25.5 | Very low | 24.9 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | -129.2 | 131.8 | 86.3 | 35.5 | -26.6 | 0 | 0 | 0 | 114 | |||||
| 617 | S | 26 | Very low | 25 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 57% | 0.566 | 77% | 0.772 | S | S | * | * | trans | -98.8 | 132.1 | 167.5 | 52.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 618 | I | 22.7 | Very low | 25.1 | Very low | 179 Ų | 179 | 129.9 Ų | 129.9 | 92% | 0.918 | 77% | 0.771 | S | S | * | * | trans | -122.3 | 119.8 | 145.1 | -69.1 | -177.6 | 0 | 0 | 0 | 106.4 | ||||
| 619 | S | 27.6 | Very low | 25.2 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | -112.7 | 147.5 | -168.7 | 45.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 620 | L | 23 | Very low | 25.3 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | trans | -59.8 | 135.3 | 155.5 | -88 | 57.7 | 0 | 0 | 0 | 108.7 | ||||
| 621 | S | 25.5 | Very low | 25.5 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -119.7 | 123.1 | 163.2 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 622 | T | 22 | Very low | 25.9 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | -101.8 | 148.5 | 172.2 | 41.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 623 | T | 22.6 | Very low | 26.1 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | trans | 63.9 | 149.4 | 165.1 | 65.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 624 | N | 23.8 | Very low | 26.3 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | cis | -173.6 | 162.7 | 33.8 | -149.2 | -5.7 | 0 | 0 | 0 | 111.3 | ||||
| 625 | N | 25.2 | Very low | 26.4 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | trans | 55.8 | 123.2 | 149.6 | -72.9 | -23.6 | 0 | 0 | 0 | 123.8 | ||||
| 626 | N | 24.7 | Very low | 26.6 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | 44.5 | 119.8 | 124.2 | -52.8 | -20.5 | 0 | 0 | 0 | 120.2 | |||||
| 627 | N | 30 | Very low | 26.8 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | -177.6 | 123.8 | 112.9 | -92.4 | -35.7 | 0 | 0 | 0 | 113.4 | |||||
| 628 | N | 25.8 | Very low | 27 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | 53 | 117.3 | 127.3 | -67 | -25.2 | 0 | 0 | 0 | 122.5 | |||||
| 629 | S | 23.3 | Very low | 27.2 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | 98.6 | 151.7 | 117.5 | 78.7 | 0 | 0 | 0 | 0 | 121 | |||||
| 630 | L | 29.1 | Very low | 27.1 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | 84.6 | 90.9 | 160 | -60.8 | 170.5 | 0 | 0 | 0 | 119.5 | ||||
| 631 | N | 26.3 | Very low | 27.3 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | 48.7 | 113 | 115.7 | -74.7 | -37.9 | 0 | 0 | 0 | 119.3 | |||||
| 632 | L | 34.6 | Very low | 27.2 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | -166.8 | 103.2 | 119.7 | -101.6 | 156.8 | 0 | 0 | 0 | 112.2 | |||||
| 633 | K | 28.3 | Very low | 27.3 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | 6.4 | 117.9 | 138.2 | -60.8 | 174.3 | 174.8 | -180 | 0 | 118.1 | ||||
| 634 | H | 34.3 | Very low | 27.3 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | -164.9 | 139.6 | 99 | -114.9 | -50.2 | 0 | 0 | 0 | 113 | |||||
| 635 | D | 29.8 | Very low | 27.3 | Very low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -79.7 | 154.9 | -177.9 | -49 | -90.7 | 0 | 0 | 0 | 114.3 | ||||
| 636 | R | 28.7 | Very low | 27.2 | Very low | 228 Ų | 228 | 142.2 Ų | 142.2 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | -168.2 | 116.1 | 112.6 | -101 | 179.2 | 177.3 | -169.4 | -1.1 | 114.4 | |||||
| 637 | I | 30.5 | Very low | 27.3 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | 79.5 | 88.9 | 131.7 | -61.2 | 171.2 | 0 | 0 | 0 | 119.5 | ||||
| 638 | T | 29.8 | Very low | 26.9 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | 57.7 | 126 | 127.4 | 65.4 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 639 | K | 27 | Very low | 27.2 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | 60.9 | 113.3 | 126.4 | -61.4 | 179.6 | -178.6 | -176.5 | 0 | 118.1 | |||||
| 640 | S | 25.6 | Very low | 27.4 | Very low | 95 Ų | 95 | 146.6 Ų | 146.6 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | 76.6 | 150 | 56.2 | 81.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 641 | T | 27.3 | Very low | 27.6 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 65.2 | 100.2 | 175.3 | 61.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 642 | G | 22.7 | Very low | 27.6 | Very low | 77 Ų | 77 | 144.9 Ų | 144.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -86.7 | 142.1 | 156 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 643 | T | 23.9 | Very low | 27.3 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | trans | -158.1 | 144.4 | 170.5 | 34.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 644 | Y | 23 | Very low | 27.1 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | 73.4 | 103.3 | 164.8 | -59.5 | -62.7 | 0 | 0 | 0 | 121.1 | ||||
| 645 | N | 23.6 | Very low | 26.8 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | 32.6 | 122.1 | 118.2 | -80.2 | -2.7 | 0 | 0 | 0 | 121 | |||||
| 646 | V | 23.6 | Very low | 26.7 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | 51.7 | 106.9 | 125.2 | -170.9 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 647 | N | 25.7 | Very low | 27 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | -159.8 | 164.4 | 118.7 | -107.1 | -31.1 | 0 | 0 | 0 | 114.1 | |||||
| 648 | M | 22.8 | Very low | 26.9 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | trans | -69.9 | 151.9 | -166.4 | -60.1 | 175.1 | 171.3 | 0 | 0 | 115.4 | ||||
| 649 | A | 31.6 | Very low | 26.9 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | -150.9 | 111.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 650 | N | 26.7 | Very low | 26.8 | Very low | 171 Ų | 171 | 138 Ų | 138 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -80.2 | 133 | 166.5 | -97.4 | -23.5 | 0 | 0 | 0 | 109.1 | ||||
| 651 | V | 33 | Very low | 26.9 | Very low | 143 Ų | 143 | 139 Ų | 139 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -131.6 | 133.4 | 158.8 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 652 | S | 26.3 | Very low | 26.9 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -107.3 | 180 | -168.2 | -165.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 653 | T | 28.7 | Very low | 27 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 65.3 | 111.2 | 170.7 | 59 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 654 | M | 23.9 | Very low | 27.3 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | 58.9 | 110.2 | 75.8 | -67.5 | -169.2 | 79 | 0 | 0 | 114.3 | |||||
| 655 | S | 28.5 | Very low | 27.5 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | -172.8 | 158.9 | 106.8 | -162.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 656 | M | 28.5 | Very low | 27.7 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 78% | 0.778 | 80% | 0.801 | S | S | * | * | trans | -49.5 | 141.6 | 179.4 | -58.3 | -63.8 | -174.1 | 0 | 0 | 114.8 | ||||
| 657 | N | 35.3 | Very low | 28.1 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -98.2 | 111.2 | 151.4 | -85.2 | -15.9 | 0 | 0 | 0 | 108.7 | ||||
| 658 | D | 26.5 | Very low | 28.3 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | -64.5 | 135.4 | 160.2 | -67.2 | -60.6 | 0 | 0 | 0 | 109.9 | ||||
| 659 | L | 30.1 | Very low | 28.5 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -153 | 145.2 | 135 | -137.1 | 72.4 | 0 | 0 | 0 | 111.7 | ||||
| 660 | T | 26 | Very low | 28.3 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | trans | -106.4 | 173.3 | -163.9 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 661 | T | 26.5 | Very low | 28.3 | Very low | 118 Ų | 118 | 142 Ų | 142 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | 63 | 118.4 | 162.3 | 54.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 662 | N | 28.5 | Very low | 28.1 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | -156.4 | 146.3 | 63.8 | -94.5 | -51 | 0 | 0 | 0 | 114.3 | |||||
| 663 | K | 24.4 | Very low | 28.1 | Very low | 199 Ų | 199 | 148.2 Ų | 148.2 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | -94.1 | 143.6 | 170.4 | -65.3 | 170.4 | 174.6 | 174.9 | 0 | 109.8 | ||||
| 664 | S | 29.4 | Very low | 28 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | 176.9 | 142.3 | 131.5 | 38 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 665 | N | 27.5 | Very low | 28 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | 60.9 | 141.5 | 157.3 | -59 | -0.7 | 0 | 0 | 0 | 118.8 | ||||
| 666 | T | 27.5 | Very low | 28.1 | Very low | 113 Ų | 113 | 145 Ų | 145 | 69% | 0.693 | 81% | 0.812 | S | S | * | * | cis | -161.9 | 117.3 | -15.5 | 19.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 667 | N | 32.8 | Very low | 28 | Very low | 171 Ų | 171 | 145 Ų | 145 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -123.8 | 98.2 | 175.9 | -86 | -21.4 | 0 | 0 | 0 | 109.8 | ||||
| 668 | D | 29.5 | Very low | 27.5 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -85.5 | 106.8 | 167 | -76.4 | -54.2 | 0 | 0 | 0 | 110.2 | ||||
| 669 | L | 28 | Very low | 27.2 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -159.1 | 129.5 | 136.1 | -148.3 | 64.4 | 0 | 0 | 0 | 110.8 | ||||
| 670 | P | 27.5 | Very low | 27 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -85.3 | 138.1 | -168.8 | 31.8 | -35.4 | 0 | 0 | 0 | 114 | ||||
| 671 | S | 26 | Very low | 26.8 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -78.7 | 131.9 | 161 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 672 | K | 29.5 | Very low | 26.8 | Very low | 201 Ų | 201 | 147.4 Ų | 147.4 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -146.4 | 97.7 | 163 | -98.3 | -170.8 | 178 | 178.7 | 0 | 110.6 | ||||
| 673 | L | 24.7 | Very low | 26.6 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -162.4 | 93.1 | 157.6 | -112.6 | 161.7 | 0 | 0 | 0 | 108.8 | ||||
| 674 | P | 27.4 | Very low | 26.6 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -86.3 | 148.5 | 172.6 | 34.1 | -31.7 | 0 | 0 | 0 | 111.2 | ||||
| 675 | S | 23.9 | Very low | 26.7 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -64.7 | 137.1 | 170.2 | 51 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 676 | S | 29.9 | Very low | 26.7 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -132.5 | 118.6 | 157.2 | 66 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 677 | I | 27.3 | Very low | 26.6 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -49.9 | 142.8 | -178.7 | -68.7 | 150.2 | 0 | 0 | 0 | 113.1 | ||||
| 678 | C | 23.7 | Very low | 26.4 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | trans | -102.2 | 106.8 | 174.8 | -167.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 679 | S | 21.8 | Very low | 26.3 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -164.4 | 95.4 | 169.8 | 56.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 680 | A | 24.8 | Very low | 26.2 | Very low | 101 Ų | 101 | 149.5 Ų | 149.5 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -155.8 | 138.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 681 | Y | 21.3 | Very low | 26.2 | Very low | 217 Ų | 217 | 150 Ų | 150 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -90.2 | 175.7 | -178.1 | -93.8 | -110.7 | 0 | 0 | 0 | 112.9 | ||||
| 682 | Y | 27.3 | Very low | 26.1 | Very low | 209 Ų | 209 | 149 Ų | 149 | 82% | 0.82 | 81% | 0.806 | S | S | * | * | trans | 83.6 | 97.6 | 161.6 | -75.2 | -83.6 | 0 | 0 | 0 | 120 | ||||
| 683 | S | 23.9 | Very low | 26 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 62% | 0.615 | 81% | 0.809 | S | S | * | * | 88.9 | 141.3 | 107.9 | -157.9 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 684 | N | 25.2 | Very low | 26 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | 60.5 | 98.8 | 158 | -69.7 | -21.2 | 0 | 0 | 0 | 119.5 | ||||
| 685 | K | 31.6 | Very low | 25.9 | Very low | 204 Ų | 204 | 144.2 Ų | 144.2 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | -169.8 | 83.3 | 126.2 | -100.9 | 156.5 | -171.3 | 179.6 | 0 | 111.5 | |||||
| 686 | Y | 26.3 | Very low | 25.9 | Very low | 233 Ų | 233 | 145.2 Ų | 145.2 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -80.2 | 119.7 | 162.3 | -88.2 | -82 | 0 | 0 | 0 | 109.3 | ||||
| 687 | H | 26 | Very low | 25.6 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -127.9 | 87.1 | 173.1 | -122.8 | -68.7 | 0 | 0 | 0 | 109.3 | V689 | H687-V689 PolarHBondContact O-N 3.28Š| ||
| 688 | P | 28.2 | Very low | 25.6 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | -77.4 | 109 | 169.7 | 30.3 | -29.9 | 0 | 0 | 0 | 108.9 | ||||
| 689 | V | 28.4 | Very low | 25.8 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -76.6 | 131.2 | 172.2 | 177.2 | 0 | 0 | 0 | 0 | 108.9 | H687 S691 | H687-V689 PolarHBondContact O-N 3.28Å; V689-S691 PolarHBondContact O-N 3.45Å | ||
| 690 | K | 26.3 | Very low | 26 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -68.6 | 125 | -171.8 | -61.2 | 169.1 | 178.7 | 176.5 | 0 | 111.5 | ||||
| 691 | S | 26.9 | Very low | 26.2 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -88.9 | 103.2 | 151.3 | 43.1 | 0 | 0 | 0 | 0 | 108.5 | V689 | V689-S691 PolarHBondContact O-N 3.45Š| ||
| 692 | S | 24.2 | Very low | 26.6 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | -123.2 | 104.9 | 177.7 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 693 | C | 26.7 | Very low | 26.5 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | trans | -157.3 | 109.9 | 152.1 | -96.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 694 | S | 24.2 | Very low | 26.6 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -72.2 | 154.9 | 166.5 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 695 | L | 25 | Very low | 26.7 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | 177.5 | 132.1 | 118.4 | -91.7 | 155.5 | 0 | 0 | 0 | 112.6 | |||||
| 696 | N | 25.1 | Very low | 26.4 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | trans | 53 | 117.4 | 148.7 | -58.5 | -12.6 | 0 | 0 | 0 | 121.7 | ||||
| 697 | V | 24.2 | Very low | 26.4 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | -158.9 | 143.4 | 101.2 | 141.3 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 698 | P | 27.4 | Very low | 26.5 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -95.7 | 138.6 | -155.9 | 34.7 | -34 | 0 | 0 | 0 | 114.8 | ||||
| 699 | S | 27.1 | Very low | 26.3 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -86.6 | 121.1 | 161.5 | 46 | 0 | 0 | 0 | 0 | 110.4 | S701 | S699-S701 PolarHBondContact O-N 3.37Š| ||
| 700 | L | 25.7 | Very low | 26 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -69.4 | 115.2 | 171.1 | -80.2 | 156.8 | 0 | 0 | 0 | 109.8 | ||||
| 701 | S | 28.1 | Very low | 26 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -93.4 | 128.7 | 163.5 | 51.3 | 0 | 0 | 0 | 0 | 109.8 | S699 S703 | S699-S701 PolarHBondContact O-N 3.37Å; S701-S703 PolarHBondContact O-N 3.24Å | ||
| 702 | P | 29.7 | Very low | 25.9 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | trans | -75.1 | 115.7 | 166.2 | 29.6 | -30.5 | 0 | 0 | 0 | 109 | ||||
| 703 | S | 25.6 | Very low | 25.9 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -76.4 | 132.5 | 161.8 | 47.8 | 0 | 0 | 0 | 0 | 109.4 | S701 | S701-S703 PolarHBondContact O-N 3.24Š| ||
| 704 | T | 27.7 | Very low | 25.9 | Very low | 133 Ų | 133 | 125 Ų | 125 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | 175.7 | 146.5 | 130 | 27.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 705 | L | 26.7 | Very low | 26.2 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | 69.4 | 77.9 | 164.4 | -60.4 | 170.9 | 0 | 0 | 0 | 118.5 | ||||
| 706 | S | 24.4 | Very low | 26.2 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -138.4 | 84.4 | 144.5 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 707 | S | 26.9 | Very low | 26.1 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -160.3 | 115.9 | 164 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 708 | L | 27.4 | Very low | 26.4 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | 173.7 | 138.8 | 124 | -91.9 | 164 | 0 | 0 | 0 | 111.7 | |||||
| 709 | C | 24.3 | Very low | 26.1 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | 57.4 | 88.1 | 157.8 | -64.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 710 | S | 21.9 | Very low | 26.2 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -84.5 | 134 | 136.8 | -49.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 711 | T | 26.4 | Very low | 26.1 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -165.3 | 146 | 158.7 | 11 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 712 | S | 25 | Very low | 26.1 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 50.1 | 114.1 | 161.3 | 54.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 713 | S | 24.8 | Very low | 26 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | cis | 99.2 | 130.9 | 38.2 | 71.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 714 | S | 25.4 | Very low | 26.2 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | 58.6 | 114.2 | 152.9 | 59.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 715 | N | 31 | Very low | 26.1 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | -179 | 109.2 | 115.2 | -84.5 | -19.9 | 0 | 0 | 0 | 108.5 | |||||
| 716 | Q | 26.5 | Very low | 26.2 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | 68.8 | 103.1 | 90 | -76.7 | -161.7 | 0.8 | 0 | 0 | 115.9 | |||||
| 717 | I | 23 | Very low | 26.3 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | 49 | 114.8 | 132 | -53.4 | 164.4 | 0 | 0 | 0 | 118.1 | ||||
| 718 | S | 28.6 | Very low | 26.4 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -152.5 | 119.6 | 137.5 | -81.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 719 | T | 22.8 | Very low | 26.4 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -90.6 | 128.5 | 172.2 | 45.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 720 | T | 28.2 | Very low | 26.6 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | -139.3 | 138.7 | 159.2 | -56.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 721 | I | 24.6 | Very low | 26.9 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -106.4 | 155.9 | -173.1 | -55 | 168.4 | 0 | 0 | 0 | 109 | ||||
| 722 | I | 28 | Very low | 27 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | trans | 128 | 120.5 | 149.5 | -65.5 | 173 | 0 | 0 | 0 | 112 | ||||
| 723 | P | 27.5 | Very low | 26.9 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -94.8 | 161.4 | 178.6 | 37.9 | -34.8 | 0 | 0 | 0 | 113 | ||||
| 724 | S | 28.5 | Very low | 27 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -144.4 | 117.8 | 159.8 | -150.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 725 | S | 26.9 | Very low | 27.1 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | 34.3 | 143.8 | 145.2 | 68.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 726 | H | 28.4 | Very low | 27 | Very low | 160 Ų | 160 | 148 Ų | 148 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | 88.1 | 103.8 | 150.9 | -65.9 | -57.3 | 0 | 0 | 0 | 122.4 | ||||
| 727 | I | 26.3 | Very low | 26.9 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | 63 | 100.8 | 126 | -55.9 | 164.6 | 0 | 0 | 0 | 117 | |||||
| 728 | H | 28.4 | Very low | 27 | Very low | 180 Ų | 180 | 155.7 Ų | 155.7 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | -160.7 | 149.1 | 90.6 | -135 | -74.5 | 0 | 0 | 0 | 112.1 | |||||
| 729 | Q | 28.2 | Very low | 26.9 | Very low | 161 Ų | 161 | 158.8 Ų | 158.8 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -94.5 | 160.7 | 179.8 | -77.9 | 168.1 | -76.7 | 0 | 0 | 113.5 | ||||
| 730 | D | 28.9 | Very low | 27.1 | Very low | 124 Ų | 124 | 158.7 Ų | 158.7 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | 73.7 | 102.3 | 144.8 | -65.5 | -5.6 | 0 | 0 | 0 | 122.8 | ||||
| 731 | N | 27.4 | Very low | 27 | Very low | 137 Ų | 137 | 156.9 Ų | 156.9 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | 99 | 125.3 | 112.1 | -78.3 | -39.1 | 0 | 0 | 0 | 123.7 | |||||
| 732 | S | 27.6 | Very low | 26.9 | Very low | 101 Ų | 101 | 155.3 Ų | 155.3 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | 50.6 | 94.6 | 142.6 | 60.3 | 0 | 0 | 0 | 0 | 122 | R734 | S732-R734 PolarHBondContact O-N 2.92Š| ||
| 733 | Y | 23.6 | Very low | 27 | Very low | 237 Ų | 237 | 153.9 Ų | 153.9 | 93% | 0.929 | 79% | 0.793 | S | S | * | * | trans | -20.9 | 109.5 | 135.8 | -78.4 | -103.1 | 0 | 0 | 0 | 116.9 | ||||
| 734 | R | 27.9 | Very low | 26.8 | Very low | 253 Ų | 253 | 153.5 Ų | 153.5 | 96% | 0.955 | 79% | 0.793 | S | S | * | * | trans | -159.4 | 140.1 | 137.7 | -144.4 | 177.1 | -175.1 | -163.2 | 2.7 | 112.9 | S732 | S732-R734 PolarHBondContact O-N 2.92Š| ||
| 735 | G | 26.8 | Very low | 26.8 | Very low | 72 Ų | 72 | 156.6 Ų | 156.6 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 88.6 | 48.6 | 147 | 0 | 0 | 0 | 0 | 0 | 120.3 | R737 | G735-R737 PolarHBondContact O-N 2.91Å; G735-R737 VanDerWaalsContact O-N 3.1Å | ||
| 736 | K | 28.8 | Very low | 26.9 | Very low | 219 Ų | 219 | 160.8 Ų | 160.8 | 95% | 0.952 | 81% | 0.805 | S | S | * | * | trans | -64.3 | 107.5 | 165.2 | -71.8 | -175.8 | 177.8 | -179.7 | 0 | 111.6 | ||||
| 737 | R | 23.9 | Very low | 26.9 | Very low | 244 Ų | 244 | 162.1 Ų | 162.1 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -92.3 | 125.6 | 158.4 | -168.1 | 173.5 | -173.8 | 172 | 2 | 109.4 | G735 Q739 | G735-R737 PolarHBondContact O-N 2.91Å; G735-R737 VanDerWaalsContact O-N 3.1Å; R737-Q739 PolarHBondContact O-N 2.86Å | ||
| 738 | R | 24.7 | Very low | 26.9 | Very low | 228 Ų | 228 | 163.3 Ų | 163.3 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -63.5 | 126.8 | -178.4 | -61.5 | 165.5 | 173.4 | 159.1 | -5.3 | 111.7 | ||||
| 739 | Q | 26.5 | Very low | 26.8 | Very low | 189 Ų | 189 | 164.1 Ų | 164.1 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -134.9 | 139.6 | 134.3 | -87.5 | -63.7 | 2.7 | 0 | 0 | 107.5 | R737 | R737-Q739 PolarHBondContact O-N 2.86Š| ||
| 740 | V | 28.2 | Very low | 26.9 | Very low | 127 Ų | 127 | 163.6 Ų | 163.6 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 141.3 | -170.4 | 175.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 741 | S | 25.3 | Very low | 26.8 | Very low | 103 Ų | 103 | 164.9 Ų | 164.9 | 72% | 0.72 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 143.9 | 177.4 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 742 | S | 23.6 | Very low | 27 | Very low | 114 Ų | 114 | 164.6 Ų | 164.6 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 138.6 | 170.3 | -47.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 743 | P | 29.5 | Very low | 27.1 | Very low | 126 Ų | 126 | 165.3 Ų | 165.3 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 128.4 | 158.7 | -5.7 | 23.8 | 0 | 0 | 0 | 109.7 | ||
| 744 | S | 22.8 | Very low | 27.3 | Very low | 110 Ų | 110 | 160.2 Ų | 160.2 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70 | 142.5 | 155 | -57.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 745 | E | 29.3 | Very low | 27.4 | Very low | 178 Ų | 178 | 155 Ų | 155 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | 177.7 | 141 | 122.4 | -97.1 | 163.8 | -174 | 0 | 0 | 113.6 | |||||
| 746 | E | 29.5 | Very low | 27.3 | Very low | 180 Ų | 180 | 159.1 Ų | 159.1 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | 53 | 95.6 | 149.5 | -58.1 | -167.6 | 147.8 | 0 | 0 | 121.4 | ||||
| 747 | H | 27.2 | Very low | 27.2 | Very low | 188 Ų | 188 | 154.8 Ų | 154.8 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -102.1 | 115.4 | 134.7 | -88.8 | -68.2 | 0 | 0 | 0 | 109.5 | ||||
| 748 | N | 26.6 | Very low | 27.3 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 176.8 | 100.8 | 143 | -96.6 | -33.4 | 0 | 0 | 0 | 111.7 | ||||
| 749 | K | 27.5 | Very low | 27.4 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | 178.2 | 155.4 | 123.2 | -105.6 | 167.7 | -178 | 172.8 | 0 | 115 | |||||
| 750 | L | 30 | Very low | 27.4 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 75 | 85.2 | 159.5 | -65.5 | 161.6 | 0 | 0 | 0 | 117.6 | ||||
| 751 | N | 25.9 | Very low | 27.4 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | -27.5 | 139 | 118.2 | -87.5 | -10.9 | 0 | 0 | 0 | 112.4 | |||||
| 752 | N | 31.3 | Very low | 27.7 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | -157.9 | 136 | 122.1 | -101.4 | 4.8 | 0 | 0 | 0 | 110.2 | |||||
| 753 | D | 30.7 | Very low | 28 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | trans | 50.1 | 111.9 | 142.1 | -54.2 | -41.2 | 0 | 0 | 0 | 121 | ||||
| 754 | N | 27.4 | Very low | 27.9 | Very low | 131 Ų | 131 | 153.8 Ų | 153.8 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | 49.4 | 113.1 | 115.9 | -48.6 | -43.2 | 0 | 0 | 0 | 117.9 | |||||
| 755 | D | 29.7 | Very low | 28 | Very low | 142 Ų | 142 | 159.6 Ų | 159.6 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | -174.9 | 152.7 | 110.8 | -105.5 | -23.8 | 0 | 0 | 0 | 115.7 | |||||
| 756 | F | 26.1 | Very low | 27.8 | Very low | 160 Ų | 160 | 156.2 Ų | 156.2 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | 58.2 | 111.7 | 156.5 | -79.7 | -116.7 | 0 | 0 | 0 | 119.6 | ||||
| 757 | I | 26 | Very low | 27.6 | Very low | 128 Ų | 128 | 153 Ų | 153 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | 81.4 | 113.9 | 72.1 | -70.9 | 168.6 | 0 | 0 | 0 | 114.2 | |||||
| 758 | Q | 25.2 | Very low | 27.6 | Very low | 170 Ų | 170 | 149.9 Ų | 149.9 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 29.4 | 111.3 | 153.2 | -63.8 | 178.2 | -21.2 | 0 | 0 | 119.8 | ||||
| 759 | T | 27.1 | Very low | 27.5 | Very low | 135 Ų | 135 | 152.3 Ų | 152.3 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | -170.8 | 138.8 | 96.1 | 23.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 760 | P | 27.3 | Very low | 27.4 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -101.2 | 116.7 | 176 | 34.7 | -28.8 | 0 | 0 | 0 | 112.6 | ||||
| 761 | S | 28.5 | Very low | 27.3 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -111.8 | 115.9 | 170.3 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 762 | K | 31.4 | Very low | 27.5 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -87 | 144.9 | -179.4 | -73.2 | 176.4 | 176.2 | 173.7 | 0 | 112.7 | ||||
| 763 | N | 30 | Very low | 27.4 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 59.1 | 126.2 | 143.8 | -70.3 | -18.6 | 0 | 0 | 0 | 122.2 | ||||
| 764 | R | 26 | Very low | 27.1 | Very low | 230 Ų | 230 | 150 Ų | 150 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | 10.8 | 130.6 | 114.5 | -66 | 175 | 166.8 | 178.4 | -2.7 | 114.5 | |||||
| 765 | R | 26.3 | Very low | 27.2 | Very low | 231 Ų | 231 | 149.4 Ų | 149.4 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | cis | -177.1 | 134.6 | 43.8 | -159.6 | 173.7 | -173 | 167.8 | 0.4 | 110.8 | ||||
| 766 | C | 25.1 | Very low | 27.1 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | trans | 22 | 128.2 | 154.1 | -48.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 767 | S | 25.5 | Very low | 27.3 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | 65.7 | 115.3 | 129.7 | 66 | 0 | 0 | 0 | 0 | 122 | |||||
| 768 | S | 26.3 | Very low | 27.5 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | -161.6 | 152.5 | 123.2 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 769 | F | 24.5 | Very low | 27.7 | Very low | 209 Ų | 209 | 141.2 Ų | 141.2 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | trans | -78.6 | 147.6 | 165.5 | -102.5 | -100 | 0 | 0 | 0 | 109.9 | ||||
| 770 | N | 25.9 | Very low | 27.7 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | trans | -112.9 | 116.7 | 179.8 | -177.8 | 8 | 0 | 0 | 0 | 111.3 | ||||
| 771 | S | 28.3 | Very low | 27.7 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | trans | -176.5 | 126.6 | 163.2 | 53.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 772 | Q | 28.9 | Very low | 27.6 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | cis | -162.6 | 146.1 | 11.5 | -105.2 | 162 | -26 | 0 | 0 | 109.9 | ||||
| 773 | K | 28.5 | Very low | 27.4 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 81% | 0.809 | 74% | 0.744 | S | S | * | * | trans | 64.9 | 152.4 | 152.5 | -62.6 | 177.4 | 178.4 | -173.4 | 0 | 117.6 | ||||
| 774 | C | 26.2 | Very low | 27.3 | Very low | 102 Ų | 102 | 145 Ų | 145 | 69% | 0.689 | 75% | 0.746 | S | S | * | * | cis | -156.7 | 160.6 | -8.2 | -113 | 0 | 0 | 0 | 0 | 111 | ||||
| 775 | L | 29 | Very low | 27.4 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 61% | 0.613 | 74% | 0.739 | S | S | * | * | trans | 22.4 | 107.5 | 148.1 | -61.1 | 163.6 | 0 | 0 | 0 | 121.1 | ||||
| 776 | T | 27.6 | Very low | 27.6 | Very low | 60 Ų | 60 | 134.4 Ų | 134.4 | 37% | 0.368 | 73% | 0.729 | S | S | . | * | 15.6 | 141.2 | 116.3 | 50.5 | 0 | 0 | 0 | 0 | 122.4 | T509 D510 D511 | T509-T776 WeakPolarHBondContact O-CB 3.46Å; T509-T776 WeakPolarHBondContact O-CG2 3.27Å; T509-T776 PolarHBondContact O-OG1 3.24Å; D510-T776 VanDerWaalsContact C-OG1 3.3Å; D510-T776 VanDerWaalsContact CA-OG1 3.31Å; D510-T776 WeakPolarHBondContact CA-OG1 3.49Å; D511-T776 PolarHBondContact N-OG1 3.39Å | |||
| 777 | N | 29.7 | Very low | 27.8 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 41% | 0.406 | 73% | 0.729 | S | S | . | * | 168.5 | -153.5 | 76 | 128.4 | -122.2 | 0 | 0 | 0 | 110.8 | D510 | D510-N777 VanDerWaalsContact CG-CG 3.47Å; D510-N777 PolarHBondContact N-OD1 3.39Å; D510-N777 WeakPolarHBondContact OD1-CA 3.22Å; D510-N777 VanDerWaalsContact OD1-CG 3.25Å; D510-N777 PolarHBondContact OD1-ND2 2.84Å; D510-N777 PolarHBondContact OD2-ND2 3.23Å | |||
| 778 | K | 30.3 | Very low | 28.1 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 59% | 0.591 | 72% | 0.724 | S | S | * | * | trans | -93.8 | 147.5 | -133.7 | -96.1 | 155.5 | -166.5 | 157.5 | 0 | 121.8 | D510 | D510-K778 PolarHBondContact OD1-N 3.19Å; D510-K778 IonicContact OD2-NZ 2.65Å | ||
| 779 | Q | 28.8 | Very low | 28.3 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | trans | 60.1 | 119.5 | 135 | -71.6 | 176.8 | -58.1 | 0 | 0 | 124.4 | ||||
| 780 | F | 27.2 | Very low | 28.5 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | 44.7 | 116.2 | 128.4 | -80.9 | -92.9 | 0 | 0 | 0 | 120.7 | |||||
| 781 | T | 28 | Very low | 28.6 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | -171.5 | 157.3 | 82.3 | 26.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 782 | E | 25.9 | Very low | 28.6 | Very low | 185 Ų | 185 | 130.9 Ų | 130.9 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | -85 | 146.1 | -178.7 | -64 | 171.2 | 125.9 | 0 | 0 | 112.3 | ||||
| 783 | S | 28.3 | Very low | 28.6 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | trans | -155 | 141 | 154.7 | -80.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 784 | I | 26.9 | Very low | 28.5 | Very low | 151 Ų | 151 | 127 Ų | 127 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | trans | -108.8 | 152 | -163.8 | -51.4 | 169.9 | 0 | 0 | 0 | 109.1 | ||||
| 785 | T | 29.5 | Very low | 29 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | 136.1 | 141.1 | 135.6 | 60.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 786 | N | 28.9 | Very low | 28.8 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | trans | 76.6 | 100.5 | 142 | -65.2 | -7.7 | 0 | 0 | 0 | 122.5 | ||||
| 787 | N | 29.3 | Very low | 28.8 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | 69.3 | 146.8 | 102.4 | -66.5 | 1.7 | 0 | 0 | 0 | 123.4 | |||||
| 788 | N | 31.5 | Very low | 28.6 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | trans | 97.5 | 113.2 | 145.9 | -74.9 | 12.9 | 0 | 0 | 0 | 121.9 | ||||
| 789 | D | 31.1 | Very low | 28.5 | Very low | 114 Ų | 114 | 134 Ų | 134 | 61% | 0.61 | 75% | 0.75 | S | S | * | * | 84.3 | 111 | 116.3 | -64.5 | -18.9 | 0 | 0 | 0 | 124.1 | |||||
| 790 | N | 28.2 | Very low | 28.6 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | 77.9 | 134.6 | 119.2 | -63.4 | -36.1 | 0 | 0 | 0 | 123.2 | |||||
| 791 | S | 29.6 | Very low | 28.5 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 99.2 | 116.6 | 133.9 | 77.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 792 | S | 27.1 | Very low | 28.7 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | 85 | 156.4 | 122.3 | 74.5 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 793 | V | 28.9 | Very low | 28.9 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | trans | 94.3 | 127.1 | 160.4 | -166.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 794 | V | 27.5 | Very low | 28.9 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | -128.9 | 130.6 | 169.3 | 164.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 795 | P | 37 | Very low | 28.8 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | -142.9 | 152.8 | 94.1 | 24.9 | -2 | 0 | 0 | 0 | 113.6 | |||||
| 796 | M | 24.7 | Very low | 28.8 | Very low | 170 Ų | 170 | 123.9 Ų | 123.9 | 84% | 0.837 | 73% | 0.733 | S | S | * | * | 67.8 | 137.6 | 67.1 | -136.5 | -168.4 | -168.3 | 0 | 0 | 115 | |||||
| 797 | I | 26.8 | Very low | 28.7 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 70% | 0.697 | 74% | 0.739 | S | S | * | * | trans | 103 | 96.7 | 157.3 | -64.9 | 171 | 0 | 0 | 0 | 119.7 | ||||
| 798 | T | 24.4 | Very low | 29.3 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | 74.4 | 154.5 | 134.1 | 60.8 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 799 | T | 28.2 | Very low | 29.1 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | 71.8 | 147.6 | 151 | 34.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 800 | T | 31 | Very low | 28.8 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | cis | -162.9 | 158.8 | 11.3 | 11.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 801 | M | 26.8 | Very low | 28.5 | Very low | 151 Ų | 151 | 126 Ų | 126 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | cis | -171.9 | 157.7 | -20.8 | -119.9 | -65.5 | 162.8 | 0 | 0 | 109.7 | ||||
| 802 | S | 30.3 | Very low | 28.3 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | 62.3 | 145 | 143.9 | 65.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 803 | S | 31.9 | Very low | 28.2 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | cis | 179.8 | 167.2 | -11.2 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 804 | V | 26.7 | Very low | 28.3 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | 88.5 | 120.6 | 154.1 | -167.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 805 | T | 26.1 | Very low | 28.2 | Very low | 121 Ų | 121 | 129 Ų | 129 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -58.9 | 154.2 | 169.6 | 53.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 806 | S | 29.5 | Very low | 27.6 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | 173.5 | 171.7 | 116.6 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 807 | S | 25.6 | Very low | 28 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -97.9 | -162.8 | -160.7 | -43.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 808 | P | 43.1 | Very low | 28 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | -120.2 | 143.5 | -113.4 | 35.9 | -17.8 | 0 | 0 | 0 | 114.7 | |||||
| 809 | R | 27.5 | Very low | 28 | Very low | 226 Ų | 226 | 130.3 Ų | 130.3 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -148.7 | 130.5 | 172.7 | -82.9 | -164.3 | 170.4 | -173.3 | -2.2 | 114 | ||||
| 810 | L | 23.9 | Very low | 27.8 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 54.3 | 151.6 | 131.5 | -48.8 | 171.9 | 0 | 0 | 0 | 118.3 | ||||
| 811 | C | 21.8 | Very low | 27.6 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 58% | 0.581 | 76% | 0.759 | S | S | * | * | cis | -173.7 | 170.6 | -18.3 | -103.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 812 | Y | 24.8 | Very low | 27.5 | Very low | 226 Ų | 226 | 129.4 Ų | 129.4 | 89% | 0.886 | 76% | 0.757 | S | S | * | * | trans | 65.9 | 149 | 176.8 | -50.9 | -82.8 | 0 | 0 | 0 | 113.4 | ||||
| 813 | S | 24.8 | Very low | 27.2 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | cis | -159.6 | 144.1 | -10.7 | 39.2 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 814 | S | 31 | Very low | 26.9 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | -172 | 145.5 | 52.2 | 48.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 815 | S | 25.3 | Very low | 26.7 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | 30.5 | 97.8 | 147.8 | 58.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 816 | S | 25.5 | Very low | 26.6 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | 35.9 | 149.1 | 114.5 | 61.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 817 | P | 33.7 | Very low | 26.3 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | cis | -126.9 | 148.6 | -3.3 | 35.9 | -18.9 | 0 | 0 | 0 | 115.7 | ||||
| 818 | N | 26.2 | Very low | 26.3 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -78.7 | 147.4 | 158.8 | -101.9 | -40.7 | 0 | 0 | 0 | 110.2 | ||||
| 819 | I | 24.1 | Very low | 25.3 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -122.1 | 109.6 | 158.8 | -65.2 | 177.3 | 0 | 0 | 0 | 107.9 | ||||
| 820 | S | 24.2 | Very low | 25.2 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | -155.3 | 163 | 166.9 | 67.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 821 | I | 26 | Very low | 25.4 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 88.9 | 92.4 | 176.7 | -51.9 | 170.3 | 0 | 0 | 0 | 115.4 | ||||
| 822 | D | 25.3 | Very low | 25.5 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | 36.3 | 125 | 121.2 | -60.5 | -51.6 | 0 | 0 | 0 | 122 | |||||
| 823 | Q | 24.8 | Very low | 25.6 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | 45.6 | 80.3 | 129.6 | -55.4 | -172.2 | 7.9 | 0 | 0 | 117.5 | |||||
| 824 | S | 24.4 | Very low | 25.6 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -119.2 | 124.2 | 151.3 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | I826 | S824-I826 PolarHBondContact O-N 2.91Å; S824-I826 VanDerWaalsContact O-N 3.15Å | ||
| 825 | T | 24.1 | Very low | 25.4 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -72.1 | 101.4 | 172.1 | -50.8 | 0 | 0 | 0 | 0 | 108.6 | N827 | T825-N827 PolarHBondContact O-N 3.01Š| ||
| 826 | I | 23.2 | Very low | 25.6 | Very low | 137 Ų | 137 | 143 Ų | 143 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | trans | -88.6 | 105 | 176.5 | -63.7 | 173.1 | 0 | 0 | 0 | 108.6 | S824 | S824-I826 PolarHBondContact O-N 2.91Å; S824-I826 VanDerWaalsContact O-N 3.15Å | ||
| 827 | N | 23.7 | Very low | 25.6 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 138.9 | 160.1 | -101.4 | -13.1 | 0 | 0 | 0 | 109 | T825 | T825-N827 PolarHBondContact O-N 3.01Š|
| 828 | I | 24.9 | Very low | 25.2 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 146.5 | -167.2 | -69.7 | 170.8 | 0 | 0 | 0 | 112 | ||
| 829 | H | 22.6 | Very low | 24.9 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 141 | 176.8 | -145.2 | -111 | 0 | 0 | 0 | 112.1 | D831 | H829-D831 IonicContact CE1-OD1 2.67Å; H829-D831 PolarHBondContact CE1-OD1 2.72Å; H829-D831 IonicContact CE1-OD2 3.27Å; H829-D831 VanDerWaalsContact ND1-CG 3.28Å; H829-D831 IonicContact ND1-OD1 3.24Å; H829-D831 PolarHBondContact ND1-OD1 2.72Å; H829-D831 VanDerWaalsContact ND1-OD1 3.09Å; H829-D831 IonicContact ND1-OD2 3.54Å; H829-D831 PolarHBondContact ND1-OD2 3.14Å |
| 830 | V | 25.7 | Very low | 24.9 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -118 | 113.7 | 160.5 | 175 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 831 | D | 27.2 | Very low | 25 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | -77.7 | 150.3 | 178.4 | -79.7 | -64 | 0 | 0 | 0 | 112.7 | H829 | H829-D831 IonicContact CE1-OD1 2.67Å; H829-D831 PolarHBondContact CE1-OD1 2.72Å; H829-D831 IonicContact CE1-OD2 3.27Å; H829-D831 VanDerWaalsContact ND1-CG 3.28Å; H829-D831 IonicContact ND1-OD1 3.24Å; H829-D831 PolarHBondContact ND1-OD1 2.72Å; H829-D831 VanDerWaalsContact ND1-OD1 3.09Å; H829-D831 IonicContact ND1-OD2 3.54Å; H829-D831 PolarHBondContact ND1-OD2 3.14Å | ||
| 832 | K | 24.8 | Very low | 24.9 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -109.6 | 130.2 | -177.7 | -71.3 | 176.4 | 173.8 | 179.3 | 0 | 111.1 | ||||
| 833 | L | 25.7 | Very low | 25 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -131.7 | 115.4 | 143.7 | -62.1 | 171.8 | 0 | 0 | 0 | 103.7 | ||||
| 834 | K | 25.7 | Very low | 24.9 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | 47.6 | 129.6 | 78.8 | -71.9 | -166 | 170.1 | -165.7 | 0 | 111.3 | |||||
| 835 | E | 27 | Very low | 25 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -164.7 | 160.2 | 43.3 | -155.1 | 149.1 | -127.2 | 0 | 0 | 111.9 | ||||
| 836 | S | 28.6 | Very low | 24.9 | Very low | 103 Ų | 103 | 151 Ų | 151 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | 48.9 | 154.9 | 148.7 | 55 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 837 | D | 25.3 | Very low | 25 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | cis | -171.6 | 168.8 | -34.9 | -131.5 | -28.2 | 0 | 0 | 0 | 108.9 | ||||
| 838 | Q | 25.8 | Very low | 25 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 73.5 | 119.2 | 158.6 | -70.3 | -179.7 | 44.2 | 0 | 0 | 123.7 | ||||
| 839 | C | 20.7 | Very low | 25.1 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | 67.6 | 103.9 | 124.8 | -62.6 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 840 | T | 24.4 | Very low | 25 | Very low | 123 Ų | 123 | 152 Ų | 152 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -8.1 | 140.1 | 132.9 | 49.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 841 | I | 24.5 | Very low | 25.2 | Very low | 157 Ų | 157 | 153.4 Ų | 153.4 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | -154.2 | 140 | 123.4 | -96.3 | 145.8 | 0 | 0 | 0 | 107.7 | |||||
| 842 | N | 25.6 | Very low | 25.1 | Very low | 148 Ų | 148 | 155.8 Ų | 155.8 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -84.4 | 147.1 | 167.5 | -56.5 | -40.7 | 0 | 0 | 0 | 108 | ||||
| 843 | D | 26.1 | Very low | 25.4 | Very low | 160 Ų | 160 | 153.4 Ų | 153.4 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -153.6 | 140.7 | 141.9 | -99.1 | -37.2 | 0 | 0 | 0 | 111.4 | ||||
| 844 | E | 22.5 | Very low | 25.2 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -78.7 | 149.2 | 171.7 | -54.3 | 170 | 138.6 | 0 | 0 | 109.3 | ||||
| 845 | Q | 26.7 | Very low | 25.3 | Very low | 193 Ų | 193 | 150.3 Ų | 150.3 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | -174.1 | 164.2 | 125.6 | -102.5 | 167.9 | 57.9 | 0 | 0 | 114.4 | |||||
| 846 | N | 23.4 | Very low | 25.5 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -92.7 | -164.7 | -165.8 | -63.1 | -64.6 | 0 | 0 | 0 | 113.3 | ||||
| 847 | T | 23.9 | Very low | 25.5 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | 85.8 | 111.4 | 169.5 | 70.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 848 | E | 23.4 | Very low | 25.8 | Very low | 180 Ų | 180 | 150.3 Ų | 150.3 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | 70.5 | 95.6 | 60.5 | -69.9 | -162.7 | 140.9 | 0 | 0 | 114.5 | |||||
| 849 | T | 27.1 | Very low | 25.7 | Very low | 139 Ų | 139 | 151.7 Ų | 151.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -177.9 | 113.7 | 133.7 | 16.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 850 | F | 21.5 | Very low | 25.8 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 75% | 0.746 | 80% | 0.801 | S | S | * | * | 53 | 104.8 | 73.9 | -119.7 | -83.9 | 0 | 0 | 0 | 114.5 | |||||
| 851 | N | 30.5 | Very low | 25.8 | Very low | 164 Ų | 164 | 151 Ų | 151 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | -165.3 | 155 | 128.2 | -100.8 | -40.2 | 0 | 0 | 0 | 114 | |||||
| 852 | K | 23.8 | Very low | 25.7 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -105.4 | 150 | -174.2 | -64.9 | 167.2 | 171.6 | 173 | 0 | 112 | ||||
| 853 | T | 31.4 | Very low | 25.6 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -176.7 | 114.7 | 146.7 | 27.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 854 | L | 22.2 | Very low | 25.5 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | cis | 77.2 | 129.1 | 38.5 | -145.9 | 95.2 | 0 | 0 | 0 | 113.9 | ||||
| 855 | N | 26.9 | Very low | 25.7 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 76.4 | 141 | 176.6 | -54 | -12.3 | 0 | 0 | 0 | 114.9 | ||||
| 856 | D | 31.6 | Very low | 26.1 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | cis | -140 | 164.7 | 13.1 | -88.7 | -55 | 0 | 0 | 0 | 114.2 | ||||
| 857 | I | 29.5 | Very low | 26.1 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -119.8 | 128 | 166.5 | -67.6 | 170.6 | 0 | 0 | 0 | 105 | ||||
| 858 | P | 30.7 | Very low | 26.1 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | -162.8 | 153.1 | 86.9 | 41.2 | -19.6 | 0 | 0 | 0 | 120.5 | |||||
| 859 | K | 22.7 | Very low | 26.3 | Very low | 195 Ų | 195 | 133.7 Ų | 133.7 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 56.3 | 153.2 | 132.6 | -65.6 | 174.9 | 177.7 | 174.9 | 0 | 122.6 | ||||
| 860 | S | 23.9 | Very low | 26.3 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 76.6 | 149.1 | 165.1 | 89.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 861 | S | 23.4 | Very low | 26.5 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | cis | -156.2 | 176.5 | -2.4 | 32.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 862 | S | 22.4 | Very low | 26.7 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 27.9 | 138.5 | 145.1 | 58.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 863 | S | 23.5 | Very low | 26.9 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | cis | 173.7 | 174.3 | 7.9 | 46 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 864 | L | 25.2 | Very low | 26.7 | Very low | 164 Ų | 164 | 132 Ų | 132 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | 61.6 | 91.4 | 152.7 | -67.7 | 156.9 | 0 | 0 | 0 | 118.6 | ||||
| 865 | S | 25.3 | Very low | 26.9 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | -83.3 | 178.9 | 122.5 | 65.4 | 0 | 0 | 0 | 0 | 109 | |||||
| 866 | P | 35.7 | Very low | 26.7 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | cis | -125.5 | 163.6 | -12.5 | 38.2 | -23.8 | 0 | 0 | 0 | 113 | ||||
| 867 | S | 24.8 | Very low | 26.3 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -147.9 | 118.2 | 158.1 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 868 | C | 22.2 | Very low | 26.1 | Very low | 138 Ų | 138 | 123 Ų | 123 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | trans | -132.3 | 101.6 | 165.7 | -71.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 869 | S | 27.3 | Very low | 25.8 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -143 | 151.9 | -169.3 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 870 | S | 28 | Very low | 26.1 | Very low | 111 Ų | 111 | 118.9 Ų | 118.9 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 76.5 | 94 | 156.9 | -51 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 871 | F | 25 | Very low | 26.6 | Very low | 219 Ų | 219 | 118 Ų | 118 | 96% | 0.961 | 76% | 0.76 | S | S | * | * | trans | -73.2 | 151.8 | 145.9 | -92.4 | -101.1 | 0 | 0 | 0 | 110.2 | ||||
| 872 | T | 36.2 | Very low | 26.8 | Very low | 140 Ų | 140 | 118.5 Ų | 118.5 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -98.4 | 132.1 | -173.6 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 873 | S | 28 | Very low | 27.3 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -115.1 | 166.5 | 155.3 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 874 | L | 26.4 | Very low | 27.7 | Very low | 174 Ų | 174 | 119.4 Ų | 119.4 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -68 | 145.2 | -170.5 | -59.3 | 95.6 | 0 | 0 | 0 | 113.9 | ||||
| 875 | S | 25.4 | Very low | 28 | Very low | 102 Ų | 102 | 116.7 Ų | 116.7 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -157.8 | 116.7 | 163.8 | -26.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 876 | S | 23.3 | Very low | 28.4 | Very low | 99 Ų | 99 | 117.2 Ų | 117.2 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | 69.4 | 96.8 | 90.9 | 77.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 877 | S | 22.7 | Very low | 28.1 | Very low | 100 Ų | 100 | 116.4 Ų | 116.4 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | 90.3 | 150.5 | 75 | 67.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 878 | S | 25.4 | Very low | 28.2 | Very low | 98 Ų | 98 | 116.8 Ų | 116.8 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | 60.9 | 117.8 | 169.9 | 42.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 879 | S | 25.8 | Very low | 28.4 | Very low | 111 Ų | 111 | 115.2 Ų | 115.2 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | 59.2 | 135.1 | 57.6 | 89 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 880 | S | 29.1 | Very low | 28.4 | Very low | 98 Ų | 98 | 115.8 Ų | 115.8 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | cis | -167.6 | 173.6 | 24.1 | 45.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 881 | S | 32.6 | Very low | 28.2 | Very low | 100 Ų | 100 | 114.8 Ų | 114.8 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 45.4 | 105.1 | 150.5 | 58.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 882 | S | 27.9 | Very low | 28.3 | Very low | 107 Ų | 107 | 112.1 Ų | 112.1 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | -51 | 141.3 | 98.1 | 64.1 | 0 | 0 | 0 | 0 | 115.6 | S884 | S882-S884 VanDerWaalsContact C-N 3.32Å; S882-S884 PolarHBondContact O-N 3.14Å; S882-S884 VanDerWaalsContact O-N 3.12Å | |||
| 883 | S | 33.3 | Very low | 28 | Very low | 113 Ų | 113 | 110.3 Ų | 110.3 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -71.2 | 90.2 | 150.7 | 52.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 884 | S | 31.6 | Very low | 27.9 | Very low | 100 Ų | 100 | 111.8 Ų | 111.8 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | 47.8 | 111.6 | 156.6 | 58.7 | 0 | 0 | 0 | 0 | 120.5 | S882 | S882-S884 VanDerWaalsContact C-N 3.32Å; S882-S884 PolarHBondContact O-N 3.14Å; S882-S884 VanDerWaalsContact O-N 3.12Å | ||
| 885 | S | 32.4 | Very low | 27.9 | Very low | 106 Ų | 106 | 110.6 Ų | 110.6 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | 169.5 | 136.3 | 122.8 | 42.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 886 | S | 32.9 | Very low | 27.9 | Very low | 115 Ų | 115 | 110 Ų | 110 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 63.7 | 162.3 | 161.9 | 27.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 887 | S | 29.1 | Very low | 28 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | cis | -173.7 | 155.5 | -30.6 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 888 | S | 28.3 | Very low | 28.2 | Very low | 116 Ų | 116 | 112 Ų | 112 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | 61.7 | 144.8 | 166.5 | 49.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 889 | S | 24.7 | Very low | 28.2 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | cis | -160.2 | 158.2 | 8 | 45.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 890 | S | 29 | Very low | 28.3 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | 52.9 | 120.7 | 162.4 | 55.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 891 | A | 23.3 | Very low | 28 | Very low | 90 Ų | 90 | 114.4 Ų | 114.4 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | cis | 90.5 | 139.4 | 15.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 892 | L | 27.7 | Very low | 27.6 | Very low | 163 Ų | 163 | 115.6 Ų | 115.6 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | 85.9 | 149 | 176.7 | -49.4 | 176.7 | 0 | 0 | 0 | 116.6 | ||||
| 893 | T | 28.2 | Very low | 27.4 | Very low | 102 Ų | 102 | 116.2 Ų | 116.2 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | cis | -171.8 | 139.9 | -13.9 | 27.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 894 | I | 26.2 | Very low | 27 | Very low | 138 Ų | 138 | 118.7 Ų | 118.7 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | 71.2 | 146.3 | 124.7 | -61.5 | 171.1 | 0 | 0 | 0 | 123.9 | |||||
| 895 | D | 26.2 | Very low | 26.6 | Very low | 150 Ų | 150 | 119.2 Ų | 119.2 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | trans | 70.2 | 152.6 | 156.7 | -80.7 | -5.7 | 0 | 0 | 0 | 122.5 | ||||
| 896 | S | 26.9 | Very low | 26.3 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | cis | -168.5 | 168.5 | -21.7 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 897 | S | 24 | Very low | 26.1 | Very low | 97 Ų | 97 | 118.2 Ų | 118.2 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -39.9 | 157.5 | 164 | 48.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 898 | I | 27.1 | Very low | 25.8 | Very low | 144 Ų | 144 | 119.8 Ų | 119.8 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | 166.8 | 135.9 | 120.5 | -85.5 | 158.5 | 0 | 0 | 0 | 113.4 | |||||
| 899 | N | 26 | Very low | 25.6 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 51.3 | 121.2 | 160.1 | -65.8 | -12.9 | 0 | 0 | 0 | 123.3 | ||||
| 900 | P | 26.5 | Very low | 25.6 | Very low | 136 Ų | 136 | 125 Ų | 125 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | -91.3 | 116.7 | 142.2 | 33.3 | -24.9 | 0 | 0 | 0 | 110.8 | ||||
| 901 | S | 24.4 | Very low | 25.4 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | -130.5 | 139.6 | 173.9 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 902 | T | 24.2 | Very low | 25.8 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 56.6 | 113.3 | 161.2 | 54.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 903 | C | 22.7 | Very low | 25.6 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 62.5 | 96.5 | 59.3 | -58.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 904 | L | 24.6 | Very low | 25.3 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -152.2 | 122.1 | 140.8 | -81 | 177.6 | 0 | 0 | 0 | 105.4 | ||||
| 905 | S | 24.5 | Very low | 25.2 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | cis | 84.5 | 95.4 | 21.1 | 89.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 906 | G | 26.4 | Very low | 25.1 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 151.6 | 127.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 907 | T | 27.8 | Very low | 25.1 | Very low | 130 Ų | 130 | 133 Ų | 133 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | cis | -158.2 | 157.5 | 13.3 | -31.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 908 | L | 23.7 | Very low | 25.1 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | 68.3 | 144.4 | 171.8 | -50.6 | 153.8 | 0 | 0 | 0 | 115.4 | ||||
| 909 | W | 23.9 | Very low | 25 | Very low | 235 Ų | 235 | 135.2 Ų | 135.2 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | cis | -172.3 | 153.4 | -24.4 | -106.8 | -15.2 | 0 | 0 | 0 | 106.2 | ||||
| 910 | S | 25.1 | Very low | 25.1 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | cis | -168.8 | 145.9 | -10.1 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 911 | N | 23.3 | Very low | 25.3 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | 27 | 106.8 | 164.2 | -74.1 | -11.1 | 0 | 0 | 0 | 120 | ||||
| 912 | S | 32.3 | Very low | 25.5 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -168.7 | 148.6 | 137.3 | 50.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 913 | K | 23.6 | Very low | 25.8 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -67.1 | 139.2 | 171.5 | -65.4 | 163.2 | 178.2 | 177.6 | 0 | 109 | ||||
| 914 | S | 22 | Very low | 26.3 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | 68.3 | 139.5 | 62 | -166.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 915 | T | 24.9 | Very low | 26.6 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 84.9 | 120.6 | 171.3 | 64.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 916 | V | 22.2 | Very low | 26.9 | Very low | 136 Ų | 136 | 146 Ų | 146 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | 75.5 | 124.3 | 137.8 | 175.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 917 | I | 28.3 | Very low | 26.9 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | cis | -141.2 | 158.4 | 32.2 | -54.5 | 170.5 | 0 | 0 | 0 | 112.5 | ||||
| 918 | H | 22.6 | Very low | 27.2 | Very low | 154 Ų | 154 | 154.1 Ų | 154.1 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | -50.7 | 156.2 | 163.1 | -99.8 | -94.4 | 0 | 0 | 0 | 118 | ||||
| 919 | N | 25.4 | Very low | 27.5 | Very low | 134 Ų | 134 | 156.5 Ų | 156.5 | 72% | 0.717 | 82% | 0.818 | S | S | * | * | trans | 63.8 | 151.7 | 140.9 | -67.3 | 1 | 0 | 0 | 0 | 122.5 | ||||
| 920 | I | 28.3 | Very low | 27.6 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | 84.1 | 95.2 | -179.8 | -50.5 | 159.6 | 0 | 0 | 0 | 110.1 | ||||
| 921 | I | 31 | Very low | 27.6 | Very low | 153 Ų | 153 | 160 Ų | 160 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | -140.3 | 126.8 | 51.9 | -67.8 | 155.5 | 0 | 0 | 0 | 112 | |||||
| 922 | T | 28.7 | Very low | 27.9 | Very low | 136 Ų | 136 | 159.4 Ų | 159.4 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -106.9 | 99.4 | 160.4 | 46.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 923 | N | 30.5 | Very low | 27.6 | Very low | 144 Ų | 144 | 160.2 Ų | 160.2 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -164.7 | 39.3 | 164.1 | -131.2 | -10.2 | 0 | 0 | 0 | 119.7 | ||||
| 924 | V | 32.7 | Very low | 27.8 | Very low | 142 Ų | 142 | 157.6 Ų | 157.6 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -142.5 | 53.4 | 167.8 | -156.7 | 0 | 0 | 0 | 0 | 114 | ||
| 925 | D | 32 | Very low | 28.1 | Very low | 162 Ų | 162 | 161.7 Ų | 161.7 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -130.4 | 7.3 | 172.7 | -87.5 | -48.2 | 0 | 0 | 0 | 114.9 | ||||
| 926 | K | 29.4 | Very low | 28.3 | Very low | 203 Ų | 203 | 163.3 Ų | 163.3 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -105.4 | 65.7 | 175.4 | -73.8 | -170.5 | 175.7 | -177.2 | 0 | 112.6 | ||||
| 927 | L | 27.4 | Very low | 28.5 | Very low | 167 Ų | 167 | 160.7 Ų | 160.7 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -155.8 | 24.9 | 167.5 | -114.8 | 171.4 | 0 | 0 | 0 | 115.4 | ||
| 928 | K | 33.1 | Very low | 28.5 | Very low | 206 Ų | 206 | 163.4 Ų | 163.4 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -130.9 | 51.2 | 176 | -73.1 | -171.9 | 176.5 | 177.5 | 0 | 113.4 | ||
| 929 | Q | 30.1 | Very low | 28.8 | Very low | 184 Ų | 184 | 166.6 Ų | 166.6 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -152 | 59.5 | 176.9 | -157.8 | 101.3 | 45.4 | 0 | 0 | 114 | ||||
| 930 | L | 27.3 | Very low | 29.2 | Very low | 168 Ų | 168 | 168 Ų | 168 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | trans | -138.1 | 115.1 | 153.5 | -77.5 | -178.8 | 0 | 0 | 0 | 109.1 | ||||
| 931 | R | 25.6 | Very low | 29.3 | Very low | 234 Ų | 234 | 167 Ų | 167 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -135.5 | 119.5 | 176.8 | -162.1 | -170 | -140 | 174 | 4.1 | 104.1 | ||||
| 932 | I | 27.7 | Very low | 29.5 | Very low | 154 Ų | 154 | 167.7 Ų | 167.7 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -133.9 | 139.5 | 177.6 | -62.5 | -178.7 | 0 | 0 | 0 | 106.8 | ||||
| 933 | D | 27.8 | Very low | 29.6 | Very low | 142 Ų | 142 | 168.7 Ų | 168.7 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | -88.1 | 158.5 | -153.5 | -58.1 | -67.9 | 0 | 0 | 0 | 115.1 | ||||
| 934 | I | 27.3 | Very low | 29.8 | Very low | 146 Ų | 146 | 169.7 Ų | 169.7 | 75% | 0.749 | 82% | 0.823 | S | S | * | * | trans | -95.4 | 128.2 | 171.4 | -63.3 | 165.1 | 0 | 0 | 0 | 107.6 | ||||
| 935 | Q | 28 | Very low | 29.5 | Very low | 188 Ų | 188 | 170.1 Ų | 170.1 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -115.8 | 98.8 | 163.2 | -78.1 | -157 | -8.4 | 0 | 0 | 110 | ||||
| 936 | D | 28.2 | Very low | 29.5 | Very low | 154 Ų | 154 | 170.4 Ų | 170.4 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -90 | 131.5 | 157 | -78.8 | -50.7 | 0 | 0 | 0 | 108.6 | ||||
| 937 | S | 27.8 | Very low | 29.4 | Very low | 81 Ų | 81 | 168.2 Ų | 168.2 | 57% | 0.566 | 80% | 0.802 | S | S | * | * | trans | -135.1 | 123.2 | 176 | 102.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 938 | R | 28.3 | Very low | 29.4 | Very low | 215 Ų | 215 | 165.8 Ų | 165.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 71.4 | 87.1 | 157.1 | -67 | 171.7 | -77.8 | -167.3 | -3 | 116.8 | ||||
| 939 | Y | 27.8 | Very low | 29.2 | Very low | 222 Ų | 222 | 163 Ų | 163 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | trans | -67.3 | 144.2 | 138.2 | -122.8 | -108.3 | 0 | 0 | 0 | 108.8 | ||||
| 940 | E | 35.4 | Very low | 29 | Very low | 163 Ų | 163 | 159.6 Ų | 159.6 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -122.4 | 144 | 163.7 | -76.9 | -70.3 | 160.8 | 0 | 0 | 107.6 | ||||
| 941 | D | 29.2 | Very low | 28.9 | Very low | 143 Ų | 143 | 161.3 Ų | 161.3 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -85.2 | 143 | -173.9 | -64.6 | -56.9 | 0 | 0 | 0 | 111.8 | ||||
| 942 | D | 34.7 | Very low | 29.1 | Very low | 168 Ų | 168 | 156.2 Ų | 156.2 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | -142.8 | 103.2 | 155.1 | -105.1 | -37.9 | 0 | 0 | 0 | 108.6 | ||||
| 943 | E | 30.6 | Very low | 29 | Very low | 157 Ų | 157 | 154.7 Ų | 154.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -65 | 140 | 167.2 | -73.2 | -160 | 154.4 | 0 | 0 | 109.8 | ||||
| 944 | N | 34.5 | Very low | 28.9 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -149.7 | 139.1 | 137.3 | -110.9 | -60.6 | 0 | 0 | 0 | 113 | ||||
| 945 | Q | 27.6 | Very low | 29 | Very low | 150 Ų | 150 | 152.2 Ų | 152.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -86.5 | 144.8 | -169.5 | -56.6 | 165.1 | 4.2 | 0 | 0 | 110.6 | ||||
| 946 | K | 31.1 | Very low | 28.8 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 74% | 0.735 | 78% | 0.782 | S | S | * | * | 168.3 | 146.1 | 117.4 | -94.3 | 169.6 | 174.4 | -164.9 | 0 | 114.4 | |||||
| 947 | E | 28.6 | Very low | 28.7 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 57.1 | 134 | 144.8 | -65.8 | 162 | -144.4 | 0 | 0 | 119.2 | ||||
| 948 | V | 27.8 | Very low | 28.6 | Very low | 116 Ų | 116 | 152.4 Ų | 152.4 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | cis | 173.4 | 150.8 | -18.5 | 128.1 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 949 | N | 28.4 | Very low | 28.8 | Very low | 146 Ų | 146 | 148 Ų | 148 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | 66.5 | 87.3 | 172 | -64.5 | -18.3 | 0 | 0 | 0 | 118.7 | ||||
| 950 | S | 26.1 | Very low | 28.6 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 133.6 | 143.2 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 951 | F | 24.3 | Very low | 28 | Very low | 205 Ų | 205 | 146.1 Ų | 146.1 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 128.4 | -179.1 | -115.4 | -105 | 0 | 0 | 0 | 110.4 | ||
| 952 | V | 30.3 | Very low | 27.8 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 132.7 | -174.7 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 953 | V | 25.3 | Very low | 27.3 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 128.3 | 172 | 178 | 0 | 0 | 0 | 0 | 109.8 | S955 | V953-S955 PolarHBondContact O-N 3.46Š|
| 954 | P | 26.6 | Very low | 27 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 123.4 | -179.8 | -16.1 | 30.6 | 0 | 0 | 0 | 112.6 | ||
| 955 | S | 28 | Very low | 26.5 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 142.4 | 176 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | V953 | V953-S955 PolarHBondContact O-N 3.46Š|
| 956 | V | 24.3 | Very low | 26.4 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 125.7 | -176.3 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | ||
| 957 | L | 26.9 | Very low | 26.5 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -134.2 | 143 | 164.7 | -81.5 | 173.1 | 0 | 0 | 0 | 110.9 | ||||
| 958 | S | 24.5 | Very low | 26.5 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -90.9 | 163.5 | -175.8 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 959 | P | 32.7 | Very low | 26.2 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | trans | -103.7 | 161.3 | -151.1 | 38.7 | -36.1 | 0 | 0 | 0 | 116.1 | ||||
| 960 | Y | 23.4 | Very low | 26.2 | Very low | 230 Ų | 230 | 139.7 Ų | 139.7 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -143.2 | 123.3 | 165.6 | -97.9 | -91.1 | 0 | 0 | 0 | 110.9 | ||||
| 961 | S | 23.5 | Very low | 26.8 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | 152.5 | 134.3 | 138.7 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 962 | P | 24.6 | Very low | 26.8 | Very low | 131 Ų | 131 | 138 Ų | 138 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -99.3 | 153.7 | -177.2 | 37.6 | -33.5 | 0 | 0 | 0 | 114.1 | ||||
| 963 | I | 25.3 | Very low | 26.3 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | trans | -123.7 | 144.6 | 176.4 | -68.5 | 174.6 | 0 | 0 | 0 | 110.2 | ||||
| 964 | Q | 22.9 | Very low | 26.3 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | trans | -78.1 | 151 | -176.5 | -70.5 | 177.1 | -76.4 | 0 | 0 | 114.3 | ||||
| 965 | P | 24.5 | Very low | 26.1 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | trans | -99 | 156.2 | 169.1 | 37.5 | -32.7 | 0 | 0 | 0 | 113.8 | ||||
| 966 | T | 26.3 | Very low | 26 | Very low | 139 Ų | 139 | 141 Ų | 141 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -119.4 | 160 | 166.6 | 43 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 967 | P | 31.6 | Very low | 26 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | -103.6 | 175.5 | -155.5 | 40.6 | -35.3 | 0 | 0 | 0 | 115.2 | ||||
| 968 | P | 30 | Very low | 25.8 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -101.3 | 158.9 | -160.5 | 38.5 | -34.9 | 0 | 0 | 0 | 115.8 | ||||
| 969 | C | 20.9 | Very low | 26 | Very low | 135 Ų | 135 | 139 Ų | 139 | 91% | 0.912 | 82% | 0.822 | S | S | * | * | trans | -95.5 | 150 | 164.2 | -68.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 970 | S | 27.6 | Very low | 25.6 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -152.4 | -174.2 | 173.4 | 57.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 971 | P | 38.5 | Very low | 26 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | -114.3 | 174.7 | -73.9 | 38.3 | -27.7 | 0 | 0 | 0 | 111.7 | |||||
| 972 | N | 24.5 | Very low | 26 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -149.1 | 141.3 | 161.3 | -106 | -31.7 | 0 | 0 | 0 | 113.1 | ||||
| 973 | F | 21.3 | Very low | 25.9 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -83.2 | 151.8 | 177.7 | -88.8 | -107.6 | 0 | 0 | 0 | 112 | ||||
| 974 | S | 25.5 | Very low | 25.9 | Very low | 127 Ų | 127 | 129 Ų | 129 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -176.3 | 153.5 | 132.3 | -83 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 975 | S | 20.6 | Very low | 25.8 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -135.8 | 131.1 | -169.1 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 976 | S | 27.5 | Very low | 26 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -176.9 | 111.3 | 160.8 | 51.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 977 | T | 23 | Very low | 25.8 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | 79.9 | 113.2 | 52.1 | -43.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 978 | S | 23.8 | Very low | 25.5 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | 105.6 | 149.3 | 144.8 | 81.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 979 | L | 27.5 | Very low | 25.3 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 87.4 | 80.3 | 156 | -59.8 | 171 | 0 | 0 | 0 | 121.6 | ||||
| 980 | S | 25.4 | Very low | 25.5 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | 38.4 | 148.2 | 118.1 | 57.9 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 981 | P | 32 | Very low | 25.3 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -103.5 | 160.7 | -172.4 | 41.3 | -36.4 | 0 | 0 | 0 | 116.6 | ||||
| 982 | S | 23 | Very low | 24.6 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -172.9 | 153.9 | 163.6 | -77.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 983 | S | 22.3 | Very low | 24.6 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | cis | -172 | -177.9 | -11.4 | 54.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 984 | T | 24.4 | Very low | 24.6 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 83.8 | 91.4 | 152.8 | -43.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 985 | I | 21.5 | Very low | 24.5 | Very low | 151 Ų | 151 | 131 Ų | 131 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | 39.9 | 121.3 | 117.9 | -57.4 | 165.2 | 0 | 0 | 0 | 119.1 | |||||
| 986 | T | 28.2 | Very low | 24.8 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | -163.6 | 135.1 | 125.5 | 6.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 987 | L | 22.7 | Very low | 24.6 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -91 | 149.5 | 163.9 | -126.2 | 73.1 | 0 | 0 | 0 | 107.8 | ||||
| 988 | P | 26.1 | Very low | 24.6 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | -152.4 | 147.2 | 91.5 | 37.4 | -18.8 | 0 | 0 | 0 | 117.8 | |||||
| 989 | Q | 24.5 | Very low | 24.9 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 36 | 133.3 | 137.3 | -69.7 | -172.8 | -6.1 | 0 | 0 | 124.2 | ||||
| 990 | N | 25.5 | Very low | 24.8 | Very low | 149 Ų | 149 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 79.9 | 116.6 | 139.5 | -63.2 | -15.6 | 0 | 0 | 0 | 121.3 | ||||
| 991 | G | 23 | Very low | 24.8 | Very low | 71 Ų | 71 | 143.3 Ų | 143.3 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | 121.4 | 111.6 | 122.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 992 | S | 23.9 | Very low | 24.4 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 67.5 | 85.3 | 144.2 | -56.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 993 | K | 24.5 | Very low | 24.6 | Very low | 200 Ų | 200 | 149.7 Ų | 149.7 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | 50.7 | 128.2 | 121.5 | -65.7 | 179.7 | 177.1 | 178.8 | 0 | 121 | |||||
| 994 | S | 22.1 | Very low | 24.8 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | 62.7 | 91.7 | 150.7 | 58 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 995 | F | 23.1 | Very low | 25 | Very low | 207 Ų | 207 | 150.7 Ų | 150.7 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | -135.7 | 158 | 156.5 | -108.4 | -90.5 | 0 | 0 | 0 | 109.8 | ||||
| 996 | K | 26.8 | Very low | 25.3 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | 74.8 | 121.6 | -169.9 | -56.8 | -176.1 | 177.7 | -177.7 | 0 | 113.9 | ||||
| 997 | S | 22.4 | Very low | 25.3 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | cis | 78.1 | 109.3 | 18.7 | 94.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 998 | Q | 24.4 | Very low | 25.5 | Very low | 190 Ų | 190 | 149 Ų | 149 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | 76.7 | 151.9 | 166 | -82.1 | -165.9 | -25.9 | 0 | 0 | 119.5 | ||||
| 999 | P | 29.2 | Very low | 25.5 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | -132.9 | -164.3 | -127.9 | 38.3 | -17.6 | 0 | 0 | 0 | 115.7 | |||||
| 1000 | Q | 25.9 | Very low | 25.4 | Very low | 177 Ų | 177 | 149 Ų | 149 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | trans | 81.5 | 81.5 | 167.6 | -61.3 | -174.7 | -6.1 | 0 | 0 | 118.5 | ||||
| 1001 | H | 25.3 | Very low | 25.4 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 91% | 0.912 | 83% | 0.825 | S | S | * | * | -161.8 | 106.7 | 120.3 | -115.1 | -77.4 | 0 | 0 | 0 | 109.6 | |||||
| 1002 | Q | 24.5 | Very low | 25.5 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -144 | 128.5 | 172.3 | -81 | -171 | -4.8 | 0 | 0 | 110 | ||||
| 1003 | Q | 27.1 | Very low | 25.7 | Very low | 184 Ų | 184 | 156.6 Ų | 156.6 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | 159.4 | 87.3 | 142.4 | -90.1 | 176.2 | 9.7 | 0 | 0 | 106.1 | ||||
| 1004 | S | 26.4 | Very low | 26 | Very low | 105 Ų | 105 | 158.6 Ų | 158.6 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | 87.6 | 104 | 77.5 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1005 | T | 28 | Very low | 26.3 | Very low | 133 Ų | 133 | 159.6 Ų | 159.6 | 82% | 0.816 | 83% | 0.828 | S | S | * | * | trans | -44.9 | 130.2 | 172.4 | 45.5 | 0 | 0 | 0 | 0 | 113.2 | M1007 | T1005-M1007 PolarHBondContact O-N 2.8Š| ||
| 1006 | S | 26.9 | Very low | 26.7 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -63.8 | 112.3 | 173.4 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1007 | M | 28.8 | Very low | 27 | Very low | 163 Ų | 163 | 156.2 Ų | 156.2 | 80% | 0.803 | 83% | 0.827 | S | S | * | * | trans | -88.6 | 124.1 | 163.8 | -66 | -160.7 | 82.2 | 0 | 0 | 110 | T1005 N1009 | T1005-M1007 PolarHBondContact O-N 2.8Å; M1007-N1009 PolarHBondContact O-N 2.63Å | ||
| 1008 | T | 26.3 | Very low | 27.5 | Very low | 127 Ų | 127 | 157.4 Ų | 157.4 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | trans | 4.7 | 104.8 | 151.4 | 54 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1009 | N | 27.8 | Very low | 27.6 | Very low | 168 Ų | 168 | 152 Ų | 152 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -133.3 | 114 | 148.7 | -103.1 | -29 | 0 | 0 | 0 | 109.2 | M1007 | M1007-N1009 PolarHBondContact O-N 2.63Š| ||
| 1010 | S | 22.7 | Very low | 27.6 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | -81.9 | 116.2 | -179.9 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1011 | C | 24.3 | Very low | 28 | Very low | 133 Ų | 133 | 152.2 Ų | 152.2 | 90% | 0.899 | 83% | 0.829 | S | S | * | * | trans | -148.4 | 57.3 | 163.1 | -87 | 0 | 0 | 0 | 0 | 109 | ||||
| 1012 | Y | 26.1 | Very low | 28.6 | Very low | 217 Ų | 217 | 149.7 Ų | 149.7 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -86.4 | 153.6 | 169.6 | -93.1 | -85.8 | 0 | 0 | 0 | 110.8 | ||||
| 1013 | N | 28.1 | Very low | 29.2 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 78% | 0.775 | 82% | 0.817 | S | S | * | * | trans | 69.8 | 85.4 | 169.2 | -56.1 | -12.6 | 0 | 0 | 0 | 115.7 | ||||
| 1014 | R | 29.3 | Very low | 29.9 | Very low | 242 Ų | 242 | 145.6 Ų | 145.6 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | -96.8 | 133.4 | 138.3 | -113.2 | -175.5 | 174.4 | -176.9 | -1.8 | 107.9 | ||||
| 1015 | D | 29 | Very low | 30.5 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | trans | -56 | 126.3 | -161.8 | -48.7 | -73.9 | 0 | 0 | 0 | 114.9 | T1017 | D1015-T1017 HydrophobicContact CB-CG2 4.39Å; D1015-T1017 PolarHBondContact O-N 2.85Å | ||
| 1016 | E | 30.9 | Very low | 31.2 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 94% | 0.944 | 77% | 0.772 | S | S | * | * | trans | -68.6 | 84.3 | 158.2 | -74.8 | -162 | 142.3 | 0 | 0 | 108.9 | ||||
| 1017 | T | 34.5 | Very low | 31.7 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | trans | -77.2 | 123.5 | 170.7 | 29.1 | 0 | 0 | 0 | 0 | 109.7 | D1015 G1019 | D1015-T1017 HydrophobicContact CB-CG2 4.39Å; D1015-T1017 PolarHBondContact O-N 2.85Å; T1017-G1019 PolarHBondContact O-N 2.87Å | ||
| 1018 | S | 32.6 | Very low | 32.3 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 92% | 0.923 | 74% | 0.738 | S | S | * | * | trans | -67.8 | 93.4 | -177 | 36.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1019 | G | 27 | Very low | 33.3 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | trans | -173.3 | 109 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115 | T1017 | T1017-G1019 PolarHBondContact O-N 2.87Š| ||
| 1020 | G | 28 | Very low | 33.9 | Very low | 64 Ų | 64 | 128.7 Ų | 128.7 | 66% | 0.66 | 71% | 0.708 | S | S | * | * | trans | 114.8 | 62 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1021 | W | 35.7 | Very low | 34.9 | Very low | 228 Ų | 228 | 125.4 Ų | 125.4 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | trans | -125.5 | 15.8 | 167.3 | -80.8 | 77.3 | 0 | 0 | 0 | 114.6 | ||||
| 1022 | I | 37.8 | Very low | 36.1 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -79.9 | -25.5 | 176.4 | -55.5 | 176.5 | 0 | 0 | 0 | 111.3 | N1024 R1025 | I1022-N1024 PolarHBondContact O-N 2.77Å; I1022-R1025 WeakPolarHBondContact O-CB 3.49Å; I1022-R1025 PolarHBondContact O-N 2.72Å |
| 1023 | N | 36.9 | Very low | 37.4 | Very low | 150 Ų | 150 | 116.5 Ų | 116.5 | 80% | 0.802 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -7.6 | -166.5 | -64 | 3.9 | 0 | 0 | 0 | 115.9 | ||
| 1024 | N | 41 | Very low | 38.6 | Very low | 137 Ų | 137 | 113.2 Ų | 113.2 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 3.9 | 176.3 | -70.3 | -14.5 | 0 | 0 | 0 | 112.9 | I1022 | I1022-N1024 PolarHBondContact O-N 2.77Š|
| 1025 | R | 39.8 | Very low | 39.9 | Very low | 62 Ų | 62 | 106.1 Ų | 106.1 | 23% | 0.234 | 59% | 0.593 | C | S | . | * | S | Bend | trans | -78.8 | 122.2 | 179 | -171.7 | 155.9 | -175 | -100.3 | 5.6 | 109.1 | I1022 T1028 D1247 | I1022-R1025 WeakPolarHBondContact O-CB 3.49Å; I1022-R1025 PolarHBondContact O-N 2.72Å; R1025-T1028 PolarHBondContact NH1-OG1 2.77Å; R1025-T1028 PolarHBondContact NH2-OG1 2.82Å; R1025-D1247 IonicContact CZ-OD1 2.64Å; R1025-D1247 IonicContact CZ-OD2 3.46Å; R1025-D1247 VanDerWaalsContact NH1-CG 3.32Å; R1025-D1247 IonicContact NH1-OD1 2.67Å; R1025-D1247 PolarHBondContact NH1-OD1 2.98Å; R1025-D1247 IonicContact NH1-OD2 3.33Å; R1025-D1247 PolarHBondContact NH1-OD2 2.98Å; R1025-D1247 IonicContact NH2-OD1 2.7Å; R1025-D1247 PolarHBondContact NH2-OD1 2.94Å; R1025-D1247 IonicContact NH2-OD2 3.62Å |
| 1026 | P | 42.5 | Very low | 41.8 | Very low | 78 Ų | 78 | 100.3 Ų | 100.3 | 51% | 0.506 | 56% | 0.562 | S | S | . | * | trans | -58.5 | 130.4 | 162.6 | 27.2 | -32 | 0 | 0 | 0 | 106.3 | T1028 | P1026-T1028 PolarHBondContact O-N 3.41Š| ||
| 1027 | P | 37.5 | Very low | 43.9 | Very low | 118 Ų | 118 | 93.3 Ų | 93.3 | 77% | 0.766 | 53% | 0.531 | S | S | * | . | trans | -60.8 | 110.4 | -178.9 | 24.3 | -32.6 | 0 | 0 | 0 | 107.9 | ||||
| 1028 | T | 40.6 | Very low | 45.8 | Very low | 29 Ų | 29 | 87.6 Ų | 87.6 | 18% | 0.178 | 50% | 0.496 | C | S | . | . | trans | -52.2 | 129.3 | 146.6 | 48.4 | 0 | 0 | 0 | 0 | 104.5 | R1025 P1026 D1030 I1244 | R1025-T1028 PolarHBondContact NH1-OG1 2.77Å; R1025-T1028 PolarHBondContact NH2-OG1 2.82Å; P1026-T1028 PolarHBondContact O-N 3.41Å; T1028-D1030 PolarHBondContact O-N 3.47Å; T1028-I1244 HydrophobicContact CG2-CG2 3.89Å | ||
| 1029 | P | 47 | Very low | 47.7 | Very low | 93 Ų | 93 | 84.5 Ų | 84.5 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | trans | -50.8 | 125.4 | 175.8 | 24.4 | -34 | 0 | 0 | 0 | 106.2 | I1031 | P1029-I1031 HydrophobicContact CB-CD1 4.14Å; P1029-I1031 HydrophobicContact CB-CG1 3.97Å; P1029-I1031 HydrophobicContact CG-CD1 3.87Å; P1029-I1031 HydrophobicContact CG-CG1 4.18Å; P1029-I1031 PolarHBondContact O-N 2.88Å | ||
| 1030 | D | 40.8 | Very low | 50 | Low | 84 Ų | 84 | 87.5 Ų | 87.5 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | trans | -78 | 59 | -168.4 | -164.4 | 9.2 | 0 | 0 | 0 | 109.1 | T1028 R1032 | T1028-D1030 PolarHBondContact O-N 3.47Å; D1030-R1032 PolarHBondContact O-N 3.5Å | ||
| 1031 | I | 44.6 | Very low | 52.5 | Low | 41 Ų | 41 | 85 Ų | 85 | 21% | 0.21 | 45% | 0.448 | C | S | . | . | trans | -72.6 | 71.2 | 178.3 | -51.7 | 169.9 | 0 | 0 | 0 | 106.1 | P1029 R1033 L1036 P1246 | P1029-I1031 HydrophobicContact CB-CD1 4.14Å; P1029-I1031 HydrophobicContact CB-CG1 3.97Å; P1029-I1031 HydrophobicContact CG-CD1 3.87Å; P1029-I1031 HydrophobicContact CG-CG1 4.18Å; P1029-I1031 PolarHBondContact O-N 2.88Å; I1031-R1033 PolarHBondContact O-N 2.94Å; I1031-L1036 HydrophobicContact CG2-CB 4.03Å; I1031-L1036 HydrophobicContact CG2-CD1 4.29Å; I1031-P1246 WeakPolarHBondContact O-CB 3.42Å; I1031-P1246 WeakPolarHBondContact O-CG 3.47Å | ||
| 1032 | R | 47.9 | Very low | 54.6 | Low | 131 Ų | 131 | 77.4 Ų | 77.4 | 49% | 0.494 | 43% | 0.43 | S | S | . | . | trans | -49.1 | 136.3 | 151.9 | -57.5 | -161.7 | -61.6 | 169.8 | -3.2 | 105.5 | D1030 S1034 E1035 Y1248 | D1030-R1032 PolarHBondContact O-N 3.5Å; R1032-S1034 PolarHBondContact O-N 2.92Å; R1032-E1035 HydrophobicContact CB-CG 4.43Å; R1032-E1035 IonicContact CZ-OE1 3.6Å; R1032-E1035 IonicContact NE-OE1 3.61Å; R1032-E1035 PolarHBondContact NE-OE1 2.81Å; R1032-E1035 IonicContact NH2-OE1 3.52Å; R1032-E1035 PolarHBondContact NH2-OE1 3.16Å; R1032-E1035 WeakPolarHBondContact O-CA 3.01Å; R1032-E1035 WeakPolarHBondContact O-CB 3.48Å; R1032-E1035 PolarHBondContact O-N 2.76Å; R1032-Y1248 HydrophobicContact CG-CD2 4.14Å | ||
| 1033 | R | 55.1 | Low | 56.7 | Low | 32 Ų | 32 | 75 Ų | 75 | 12% | 0.121 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -47.6 | -41.8 | -170 | -70.7 | -166.7 | -177.6 | 82.8 | 9.8 | 113.7 | I1031 E1035 L1036 V1171 T1250 | I1031-R1033 PolarHBondContact O-N 2.94Å; R1033-E1035 PolarHBondContact O-N 2.78Å; R1033-E1035 VanDerWaalsContact O-N 3.11Å; R1033-L1036 PolarHBondContact O-N 2.85Å; R1033-V1171 CarbonylContact C-O 3.59Å; R1033-V1171 WeakPolarHBondContact O-CG1 3.29Å; R1033-T1250 PolarHBondContact NH1-O 2.89Å; R1033-T1250 PolarHBondContact NH1-OG1 2.84Å; R1033-T1250 PolarHBondContact NH2-O 2.85Å |
| 1034 | S | 52.9 | Low | 59.1 | Low | 76 Ų | 76 | 69.5 Ų | 69.5 | 53% | 0.531 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -51.9 | -28.2 | 175 | 42.8 | 0 | 0 | 0 | 0 | 115.9 | R1032 | R1032-S1034 PolarHBondContact O-N 2.92Š|
| 1035 | E | 55.2 | Low | 61.3 | Low | 93 Ų | 93 | 63.9 Ų | 63.9 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -99.3 | 6.5 | -172.6 | -60.9 | 175.5 | -146.9 | 0 | 0 | 113.1 | R1032 R1033 D1037 | R1032-E1035 HydrophobicContact CB-CG 4.43Å; R1032-E1035 IonicContact CZ-OE1 3.6Å; R1032-E1035 IonicContact NE-OE1 3.61Å; R1032-E1035 PolarHBondContact NE-OE1 2.81Å; R1032-E1035 IonicContact NH2-OE1 3.52Å; R1032-E1035 PolarHBondContact NH2-OE1 3.16Å; R1032-E1035 WeakPolarHBondContact O-CA 3.01Å; R1032-E1035 WeakPolarHBondContact O-CB 3.48Å; R1032-E1035 PolarHBondContact O-N 2.76Å; R1033-E1035 PolarHBondContact O-N 2.78Å; R1033-E1035 VanDerWaalsContact O-N 3.11Å; E1035-D1037 VanDerWaalsContact C-N 3.33Å; E1035-D1037 PolarHBondContact O-N 3.22Å |
| 1036 | L | 70.1 | Confident | 63.8 | Low | 12 Ų | 12 | 64.8 Ų | 64.8 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | trans | -67 | 96.7 | 162.1 | -174.7 | 70.8 | 0 | 0 | 0 | 108 | I1031 R1033 L1038 L1041 V1170 V1171 | I1031-L1036 HydrophobicContact CG2-CB 4.03Å; I1031-L1036 HydrophobicContact CG2-CD1 4.29Å; R1033-L1036 PolarHBondContact O-N 2.85Å; L1036-L1038 PolarHBondContact O-N 3.24Å; L1036-L1041 HydrophobicContact CD1-CD2 4.26Å; L1036-L1041 HydrophobicContact CD2-CD1 4.34Å; L1036-L1041 HydrophobicContact CG-CD1 4.48Å; L1036-V1170 HydrophobicContact CD2-CG1 4.45Å; L1036-V1171 HydrophobicContact CB-CG1 4.26Å; L1036-V1171 HydrophobicContact CB-CG2 4.5Å; L1036-V1171 VanDerWaalsContact O-CG2 3.23Å; L1036-V1171 WeakPolarHBondContact O-CG2 3.18Å | ||
| 1037 | D | 74.2 | Confident | 66.1 | Low | 56 Ų | 56 | 61 Ų | 61 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | trans | -70.7 | 128.6 | 178.6 | -156.1 | -28.1 | 0 | 0 | 0 | 109.9 | E1035 A1039 D1040 N1077 | E1035-D1037 VanDerWaalsContact C-N 3.33Å; E1035-D1037 PolarHBondContact O-N 3.22Å; D1037-A1039 PolarHBondContact O-N 3.4Å; D1037-A1039 WeakPolarHBondContact OD1-CB 3.48Å; D1037-A1039 PolarHBondContact OD1-N 2.8Å; D1037-D1040 PolarHBondContact O-N 3.23Å; D1037-N1077 PolarHBondContact OD1-ND2 2.84Å; D1037-N1077 VanDerWaalsContact OD1-ND2 3.17Å; D1037-N1077 PolarHBondContact OD1-OD1 3.44Å; D1037-N1077 PolarHBondContact OD2-ND2 2.88Å | ||
| 1038 | L | 75.1 | Confident | 68.7 | Low | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -21.2 | 177.7 | -66.2 | 175.1 | 0 | 0 | 0 | 111.4 | L1036 D1040 L1041 L1080 R1081 F1085 V1170 V1171 | L1036-L1038 PolarHBondContact O-N 3.24Å; L1038-D1040 VanDerWaalsContact C-N 3.33Å; L1038-L1041 HydrophobicContact CD2-CD1 3.71Å; L1038-L1041 PolarHBondContact O-N 2.85Å; L1038-L1080 HydrophobicContact CB-CB 3.86Å; L1038-L1080 HydrophobicContact CB-CD1 3.92Å; L1038-L1080 HydrophobicContact CD1-CB 3.78Å; L1038-L1080 HydrophobicContact CG-CB 4.5Å; L1038-R1081 HydrophobicContact CD1-CG 4.15Å; L1038-F1085 HydrophobicContact CD2-CE2 4.48Å; L1038-F1085 HydrophobicContact CD2-CZ 4.35Å; L1038-V1170 HydrophobicContact CD2-CB 4.27Å; L1038-V1170 HydrophobicContact CD2-CG1 4.23Å; L1038-V1171 HydrophobicContact CD1-CG2 4.2Å; L1038-V1171 HydrophobicContact CD2-CG2 3.59Å; L1038-V1171 HydrophobicContact CG-CG2 3.71Å |
| 1039 | A | 72.9 | Confident | 71.1 | Confident | 67 Ų | 67 | 54.1 Ų | 54.1 | 55% | 0.554 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -29.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1037 L1041 L1080 | D1037-A1039 PolarHBondContact O-N 3.4Å; D1037-A1039 WeakPolarHBondContact OD1-CB 3.48Å; D1037-A1039 PolarHBondContact OD1-N 2.8Å; A1039-L1041 VanDerWaalsContact C-N 3.34Å; A1039-L1080 HydrophobicContact CB-CD1 4.46Å |
| 1040 | D | 75.3 | Confident | 73 | Confident | 140 Ų | 140 | 50 Ų | 50 | 75% | 0.749 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -83.4 | -10.4 | 179.1 | -71.3 | -19.9 | 0 | 0 | 0 | 112.8 | D1037 L1038 S1042 | D1037-D1040 PolarHBondContact O-N 3.23Å; L1038-D1040 VanDerWaalsContact C-N 3.33Å; D1040-S1042 PolarHBondContact O-N 3.08Å |
| 1041 | L | 79.6 | Confident | 74.9 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | trans | -82.6 | 108.3 | -179.4 | -63.2 | 179.2 | 0 | 0 | 0 | 111.9 | L1036 L1038 A1039 T1045 L1060 V1170 | L1036-L1041 HydrophobicContact CD1-CD2 4.26Å; L1036-L1041 HydrophobicContact CD2-CD1 4.34Å; L1036-L1041 HydrophobicContact CG-CD1 4.48Å; L1038-L1041 HydrophobicContact CD2-CD1 3.71Å; L1038-L1041 PolarHBondContact O-N 2.85Å; A1039-L1041 VanDerWaalsContact C-N 3.34Å; L1041-T1045 HydrophobicContact CD2-CG2 4Å; L1041-L1060 HydrophobicContact CB-CD2 3.81Å; L1041-L1060 HydrophobicContact CD1-CD2 3.81Å; L1041-L1060 HydrophobicContact CD2-CD2 4.41Å; L1041-L1060 HydrophobicContact CG-CD2 4.23Å; L1041-V1170 HydrophobicContact CD1-CG1 4.05Å | ||
| 1042 | S | 80.4 | Confident | 76.2 | Confident | 69 Ų | 69 | 48.5 Ų | 48.5 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | trans | -86.6 | 159.2 | 174.7 | 68 | 0 | 0 | 0 | 0 | 113.6 | D1040 G1044 T1045 | D1040-S1042 PolarHBondContact O-N 3.08Å; S1042-G1044 PolarHBondContact O-N 3.11Å; S1042-T1045 PolarHBondContact N-OG1 2.85Å; S1042-T1045 VanDerWaalsContact N-OG1 3.07Å; S1042-T1045 WeakPolarHBondContact O-CB 3.31Å; S1042-T1045 PolarHBondContact O-N 3.41Å; S1042-T1045 VanDerWaalsContact O-N 3.1Å; S1042-T1045 PolarHBondContact O-OG1 2.8Å; S1042-T1045 PolarHBondContact OG-OG1 3.48Å | ||
| 1043 | D | 82.3 | Confident | 77.6 | Confident | 92 Ų | 92 | 44.2 Ų | 44.2 | 49% | 0.492 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 123.8 | 172.8 | -166.2 | 44.8 | 0 | 0 | 0 | 110.5 | Y1061 L1062 | D1043-Y1061 WeakPolarHBondContact OD1-CA 3.48Å; D1043-Y1061 WeakPolarHBondContact OD1-CD1 3.4Å; D1043-L1062 HydrophobicContact CB-CB 4.49Å; D1043-L1062 PolarHBondContact OD1-N 3.22Å |
| 1044 | G | 85.5 | Confident | 79 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | 3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1042 R1046 L1060 | S1042-G1044 PolarHBondContact O-N 3.11Å; G1044-R1046 PolarHBondContact O-N 2.75Å; G1044-L1060 WeakPolarHBondContact CA-O 3.5Å; G1044-L1060 PolarHBondContact N-O 2.73Å |
| 1045 | T | 88.9 | Confident | 80.8 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | trans | -60.9 | 134.9 | 178.6 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | L1041 S1042 V1047 L1060 L1176 | L1041-T1045 HydrophobicContact CD2-CG2 4Å; S1042-T1045 PolarHBondContact N-OG1 2.85Å; S1042-T1045 VanDerWaalsContact N-OG1 3.07Å; S1042-T1045 WeakPolarHBondContact O-CB 3.31Å; S1042-T1045 PolarHBondContact O-N 3.41Å; S1042-T1045 VanDerWaalsContact O-N 3.1Å; S1042-T1045 PolarHBondContact O-OG1 2.8Å; S1042-T1045 PolarHBondContact OG-OG1 3.48Å; T1045-V1047 HydrophobicContact CG2-CG1 4.38Å; T1045-L1060 WeakPolarHBondContact O-CB 3.43Å; T1045-L1060 PolarHBondContact O-N 2.87Å; T1045-L1176 HydrophobicContact CG2-CD1 3.57Å | ||
| 1046 | R | 91.3 | Very high | 82.4 | Confident | 80 Ų | 80 | 38.3 Ų | 38.3 | 30% | 0.302 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126.4 | 178.4 | -71.1 | -69.4 | -63.2 | -172.6 | -4.1 | 111.1 | G1044 D1090 E1177 | G1044-R1046 PolarHBondContact O-N 2.75Å; R1046-D1090 IonicContact CZ-OD1 3.33Å; R1046-D1090 IonicContact CZ-OD2 2.64Å; R1046-D1090 VanDerWaalsContact CZ-OD2 3.31Å; R1046-D1090 VanDerWaalsContact NH1-CG 3.31Å; R1046-D1090 IonicContact NH1-OD1 2.65Å; R1046-D1090 PolarHBondContact NH1-OD1 2.84Å; R1046-D1090 IonicContact NH1-OD2 3.88Å; R1046-D1090 PolarHBondContact NH1-OD2 3.42Å; R1046-D1090 IonicContact NH2-OD1 2.65Å; R1046-D1090 IonicContact NH2-OD2 2.67Å; R1046-D1090 PolarHBondContact NH2-OD2 3.29Å; R1046-E1177 HydrophobicContact CB-CB 3.95Å; R1046-E1177 IonicContact CZ-OE2 2.88Å; R1046-E1177 IonicContact NE-OE2 3.83Å; R1046-E1177 PolarHBondContact NE-OE2 2.95Å; R1046-E1177 IonicContact NH2-OE1 3.41Å; R1046-E1177 IonicContact NH2-OE2 2.72Å; R1046-E1177 PolarHBondContact NH2-OE2 3.34Å; R1046-E1177 PolarHBondContact O-N 3.12Å |
| 1047 | V | 91.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.8 | -176.5 | -64 | 0 | 0 | 0 | 0 | 111.9 | T1045 V1049 A1057 G1058 L1060 I1087 A1174 V1175 | T1045-V1047 HydrophobicContact CG2-CG1 4.38Å; V1047-V1049 HydrophobicContact CG2-CG2 4.38Å; V1047-A1057 CarbonylContact O-C 3.54Å; V1047-G1058 PolarHBondContact N-O 3.29Å; V1047-G1058 PolarHBondContact O-N 2.71Å; V1047-L1060 HydrophobicContact CG1-CB 4.48Å; V1047-L1060 HydrophobicContact CG2-CB 4.33Å; V1047-I1087 HydrophobicContact CG2-CD1 4.19Å; V1047-I1087 HydrophobicContact CG2-CG1 4.45Å; V1047-I1087 HydrophobicContact CG2-CG2 3.93Å; V1047-A1174 HydrophobicContact CB-CB 4.32Å; V1047-V1175 CarbonylContact C-O 3.6Å; V1047-V1175 VanDerWaalsContact CA-O 3.31Å; V1047-V1175 WeakPolarHBondContact CA-O 3.36Å |
| 1048 | L | 91.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 112.5 | 170.7 | -59.1 | -176 | 0 | 0 | 0 | 108.9 | L1055 A1057 A1174 V1175 E1177 L1204 R1243 L1245 | L1048-L1055 HydrophobicContact CB-CB 4.26Å; L1048-L1055 HydrophobicContact CB-CD2 3.8Å; L1048-L1055 HydrophobicContact CD1-CD2 4.2Å; L1048-A1057 HydrophobicContact CD2-CB 3.69Å; L1048-A1174 WeakPolarHBondContact O-CA 3.33Å; L1048-V1175 PolarHBondContact N-O 3.23Å; L1048-V1175 PolarHBondContact O-N 3.36Å; L1048-E1177 HydrophobicContact CD2-CB 4.03Å; L1048-E1177 HydrophobicContact CD2-CG 3.76Å; L1048-E1177 HydrophobicContact CG-CB 3.96Å; L1048-E1177 HydrophobicContact CG-CG 4.09Å; L1048-L1204 HydrophobicContact CD1-CD1 4.38Å; L1048-L1204 HydrophobicContact CD2-CD1 3.82Å; L1048-R1243 HydrophobicContact CD1-CB 3.94Å; L1048-R1243 HydrophobicContact CD1-CG 4.14Å; L1048-L1245 HydrophobicContact CD1-CD2 4.17Å |
| 1049 | V | 90.3 | Very high | 85 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.9 | 177.8 | -179 | 0 | 0 | 0 | 0 | 110 | V1047 Q1051 L1055 R1056 I1087 L1089 L1163 | V1047-V1049 HydrophobicContact CG2-CG2 4.38Å; V1049-Q1051 HydrophobicContact CG1-CG 4.33Å; V1049-Q1051 PolarHBondContact O-N 2.74Å; V1049-L1055 CarbonylContact O-C 3.56Å; V1049-L1055 WeakPolarHBondContact O-CA 3.31Å; V1049-R1056 PolarHBondContact N-O 3.17Å; V1049-R1056 PolarHBondContact O-N 2.79Å; V1049-I1087 HydrophobicContact CG2-CD1 3.74Å; V1049-I1087 HydrophobicContact CG2-CG2 3.96Å; V1049-L1089 HydrophobicContact CB-CD2 4.08Å; V1049-L1089 HydrophobicContact CG2-CD2 3.85Å; V1049-L1163 HydrophobicContact CG1-CD2 3.73Å |
| 1050 | I | 88.5 | Confident | 85.9 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 112.1 | 178.5 | -54.4 | 170.2 | 0 | 0 | 0 | 109 | L1055 Q1173 F1249 L1252 | I1050-L1055 HydrophobicContact CG1-CD2 4.23Å; I1050-L1055 HydrophobicContact CG1-CG 4.39Å; I1050-Q1173 WeakPolarHBondContact CG1-O 3.36Å; I1050-Q1173 PolarHBondContact N-O 3.49Å; I1050-F1249 HydrophobicContact CD1-CE2 3.75Å; I1050-F1249 HydrophobicContact CD1-CZ 4.02Å; I1050-F1249 HydrophobicContact CG1-CE2 4.06Å; I1050-F1249 HydrophobicContact CG1-CZ 4.15Å; I1050-L1252 HydrophobicContact CG2-CB 3.93Å |
| 1051 | Q | 79.2 | Confident | 86.4 | Confident | 29 Ų | 29 | 31 Ų | 31 | 14% | 0.136 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 91 | 176.8 | -59.5 | -160.7 | -42.4 | 0 | 0 | 108.9 | V1049 T1053 Y1054 R1056 | V1049-Q1051 HydrophobicContact CG1-CG 4.33Å; V1049-Q1051 PolarHBondContact O-N 2.74Å; Q1051-T1053 PolarHBondContact O-N 2.72Å; Q1051-Y1054 CarbonylContact C-O 3.55Å; Q1051-Y1054 HydrophobicContact CB-CD2 4.14Å; Q1051-Y1054 HydrophobicContact CB-CE1 4.19Å; Q1051-Y1054 HydrophobicContact CB-CE2 3.62Å; Q1051-Y1054 HydrophobicContact CG-CE2 4.35Å; Q1051-Y1054 PolarHBondContact N-O 2.73Å; Q1051-Y1054 WeakPolarHBondContact O-CD1 3.44Å; Q1051-Y1054 VanDerWaalsContact O-CE1 3.26Å; Q1051-Y1054 WeakPolarHBondContact O-CE1 3.34Å; Q1051-Y1054 PolarHBondContact O-N 3.43Å; Q1051-R1056 HydrophobicContact CG-CB 4.44Å |
| 1052 | D | 73.9 | Confident | 86.4 | Confident | 64 Ų | 64 | 32 Ų | 32 | 34% | 0.342 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -85.5 | -174.5 | -69.8 | -19.2 | 0 | 0 | 0 | 114.5 | K1500 | D1052-K1500 IonicContact OD1-NZ 3.04Å; D1052-K1500 PolarHBondContact OD1-NZ 3.36Å; D1052-K1500 IonicContact OD2-NZ 3.28Å; D1052-K1500 PolarHBondContact OD2-NZ 3.14Å |
| 1053 | T | 75.5 | Confident | 85.6 | Confident | 42 Ų | 42 | 30 Ų | 30 | 26% | 0.258 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 4.9 | -173.6 | 79.3 | 0 | 0 | 0 | 0 | 113.6 | Q1051 R1501 | Q1051-T1053 PolarHBondContact O-N 2.72Å; T1053-R1501 PolarHBondContact OG1-NH2 2.76Å |
| 1054 | Y | 86.2 | Confident | 84.5 | Confident | 57 Ų | 57 | 34.9 Ų | 34.9 | 22% | 0.224 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 160.2 | 173.6 | 61.2 | -84.6 | 0 | 0 | 0 | 108.7 | Q1051 R1056 N1203 L1204 | Q1051-Y1054 CarbonylContact C-O 3.55Å; Q1051-Y1054 HydrophobicContact CB-CD2 4.14Å; Q1051-Y1054 HydrophobicContact CB-CE1 4.19Å; Q1051-Y1054 HydrophobicContact CB-CE2 3.62Å; Q1051-Y1054 HydrophobicContact CG-CE2 4.35Å; Q1051-Y1054 PolarHBondContact N-O 2.73Å; Q1051-Y1054 WeakPolarHBondContact O-CD1 3.44Å; Q1051-Y1054 VanDerWaalsContact O-CE1 3.26Å; Q1051-Y1054 WeakPolarHBondContact O-CE1 3.34Å; Q1051-Y1054 PolarHBondContact O-N 3.43Å; Y1054-R1056 HydrophobicContact CE2-CB 4.49Å; Y1054-N1203 HydrophobicContact CD2-CB 3.7Å; Y1054-N1203 HydrophobicContact CE2-CB 4.32Å; Y1054-N1203 VanDerWaalsContact CE2-CG 3.49Å; Y1054-N1203 WeakPolarHBondContact CE2-OD1 3.29Å; Y1054-N1203 HydrophobicContact CG-CB 4.1Å; Y1054-L1204 CarbonylContact C-O 3.56Å; Y1054-L1204 VanDerWaalsContact CA-O 3.32Å; Y1054-L1204 WeakPolarHBondContact CA-O 3.35Å; Y1054-L1204 WeakPolarHBondContact CB-O 3.43Å |
| 1055 | L | 90.3 | Very high | 82.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 146.9 | 169.7 | -54.4 | 91.2 | 0 | 0 | 0 | 108.9 | L1048 V1049 I1050 C1193 L1204 P1206 L1245 F1249 | L1048-L1055 HydrophobicContact CB-CB 4.26Å; L1048-L1055 HydrophobicContact CB-CD2 3.8Å; L1048-L1055 HydrophobicContact CD1-CD2 4.2Å; V1049-L1055 CarbonylContact O-C 3.56Å; V1049-L1055 WeakPolarHBondContact O-CA 3.31Å; I1050-L1055 HydrophobicContact CG1-CD2 4.23Å; I1050-L1055 HydrophobicContact CG1-CG 4.39Å; L1055-C1193 HydrophobicContact CD1-CB 4.02Å; L1055-L1204 HydrophobicContact CB-CB 4.35Å; L1055-L1204 PolarHBondContact N-O 2.93Å; L1055-L1204 PolarHBondContact O-N 2.9Å; L1055-P1206 HydrophobicContact CD1-CB 4.45Å; L1055-L1245 HydrophobicContact CD1-CD1 4.36Å; L1055-L1245 HydrophobicContact CD2-CD2 3.78Å; L1055-F1249 HydrophobicContact CD1-CE1 4.48Å; L1055-F1249 HydrophobicContact CD1-CE2 4.44Å; L1055-F1249 HydrophobicContact CD1-CZ 3.88Å; L1055-F1249 HydrophobicContact CD2-CE2 3.7Å; L1055-F1249 HydrophobicContact CD2-CZ 3.92Å; L1055-F1249 HydrophobicContact CG-CE2 4.38Å; L1055-F1249 HydrophobicContact CG-CZ 4.09Å |
| 1056 | R | 89 | Confident | 81 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.1 | 173.3 | -176 | 165.4 | 174.8 | -140.3 | -6.5 | 109.3 | V1049 Q1051 Y1054 L1089 D1090 Q1160 M1161 V1202 | V1049-R1056 PolarHBondContact N-O 3.17Å; V1049-R1056 PolarHBondContact O-N 2.79Å; Q1051-R1056 HydrophobicContact CG-CB 4.44Å; Y1054-R1056 HydrophobicContact CE2-CB 4.49Å; R1056-L1089 HydrophobicContact CG-CB 4.33Å; R1056-L1089 HydrophobicContact CG-CD2 4.36Å; R1056-L1089 PolarHBondContact NH2-O 3.4Å; R1056-L1089 VanDerWaalsContact NH2-O 3.16Å; R1056-D1090 PolarHBondContact NE-O 2.77Å; R1056-D1090 VanDerWaalsContact NE-O 3.12Å; R1056-D1090 PolarHBondContact NH2-O 2.77Å; R1056-Q1160 PolarHBondContact NH1-O 2.72Å; R1056-M1161 PolarHBondContact NH2-SD 2.74Å; R1056-V1202 HydrophobicContact CG-CG1 3.73Å; R1056-V1202 VanDerWaalsContact NE-CG1 3.26Å |
| 1057 | A | 90.2 | Very high | 78.8 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 149.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1047 L1048 D1090 | V1047-A1057 CarbonylContact O-C 3.54Å; L1048-A1057 HydrophobicContact CD2-CB 3.69Å; A1057-D1090 PolarHBondContact O-N 3.5Å |
| 1058 | G | 91 | Very high | 76.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 173.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1047 H1088 | V1047-G1058 PolarHBondContact N-O 3.29Å; V1047-G1058 PolarHBondContact O-N 2.71Å; G1058-H1088 CarbonylContact C-O 3.4Å; G1058-H1088 WeakPolarHBondContact CA-O 3.39Å |
| 1059 | T | 91.3 | Very high | 74.5 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 14% | 0.135 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.1 | -179.4 | -59 | 0 | 0 | 0 | 0 | 109.5 | Y1061 I1087 H1088 | T1059-Y1061 HydrophobicContact CG2-CD2 4.37Å; T1059-Y1061 HydrophobicContact CG2-CE1 4.18Å; T1059-Y1061 HydrophobicContact CG2-CE2 3.7Å; T1059-Y1061 WeakPolarHBondContact O-CD2 3.38Å; T1059-I1087 CarbonylContact O-C 3.37Å; T1059-I1087 WeakPolarHBondContact O-CA 3.35Å; T1059-H1088 PolarHBondContact N-O 2.74Å; T1059-H1088 PolarHBondContact O-N 2.71Å |
| 1060 | L | 91.8 | Very high | 72.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132.3 | 173.8 | -176.1 | 75.1 | 0 | 0 | 0 | 109.9 | L1041 G1044 T1045 V1047 L1062 F1085 I1087 | L1041-L1060 HydrophobicContact CB-CD2 3.81Å; L1041-L1060 HydrophobicContact CD1-CD2 3.81Å; L1041-L1060 HydrophobicContact CD2-CD2 4.41Å; L1041-L1060 HydrophobicContact CG-CD2 4.23Å; G1044-L1060 WeakPolarHBondContact CA-O 3.5Å; G1044-L1060 PolarHBondContact N-O 2.73Å; T1045-L1060 WeakPolarHBondContact O-CB 3.43Å; T1045-L1060 PolarHBondContact O-N 2.87Å; V1047-L1060 HydrophobicContact CG1-CB 4.48Å; V1047-L1060 HydrophobicContact CG2-CB 4.33Å; L1060-L1062 HydrophobicContact CD2-CD1 4.16Å; L1060-L1062 HydrophobicContact CG-CD1 4.33Å; L1060-F1085 HydrophobicContact CD1-CB 3.73Å; L1060-F1085 HydrophobicContact CD1-CD1 3.94Å; L1060-F1085 HydrophobicContact CD1-CG 4.18Å; L1060-F1085 HydrophobicContact CD2-CD1 4.26Å; L1060-F1085 HydrophobicContact CG-CD1 4.28Å; L1060-I1087 HydrophobicContact CD1-CD1 4.15Å; L1060-I1087 HydrophobicContact CD1-CG1 3.56Å |
| 1061 | Y | 86.2 | Confident | 70 | Confident | 96 Ų | 96 | 60 Ų | 60 | 38% | 0.376 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.7 | 171.4 | -65.1 | -81.4 | 0 | 0 | 0 | 110.9 | D1043 T1059 R1086 H1088 | D1043-Y1061 WeakPolarHBondContact OD1-CA 3.48Å; D1043-Y1061 WeakPolarHBondContact OD1-CD1 3.4Å; T1059-Y1061 HydrophobicContact CG2-CD2 4.37Å; T1059-Y1061 HydrophobicContact CG2-CE1 4.18Å; T1059-Y1061 HydrophobicContact CG2-CE2 3.7Å; T1059-Y1061 WeakPolarHBondContact O-CD2 3.38Å; Y1061-R1086 PolarHBondContact N-O 2.85Å; Y1061-R1086 PolarHBondContact O-N 3.39Å; Y1061-R1086 VanDerWaalsContact O-N 3.14Å; Y1061-H1088 HydrophobicContact CD2-CB 4.3Å; Y1061-H1088 HydrophobicContact CE2-CB 3.82Å |
| 1062 | L | 79.2 | Confident | 68.1 | Low | 31 Ų | 31 | 70.7 Ų | 70.7 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | trans | -85.1 | 152.9 | 174.5 | -85.9 | 64.6 | 0 | 0 | 0 | 109.9 | D1043 L1060 F1085 | D1043-L1062 HydrophobicContact CB-CB 4.49Å; D1043-L1062 PolarHBondContact OD1-N 3.22Å; L1060-L1062 HydrophobicContact CD2-CD1 4.16Å; L1060-L1062 HydrophobicContact CG-CD1 4.33Å; L1062-F1085 HydrophobicContact CD1-CD1 3.9Å; L1062-F1085 HydrophobicContact CD1-CE1 3.84Å; L1062-F1085 HydrophobicContact CG-CD1 4.11Å; L1062-F1085 HydrophobicContact CG-CE1 3.84Å | ||
| 1063 | G | 65.5 | Low | 66.4 | Low | 27 Ų | 27 | 75.5 Ų | 75.5 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | trans | -63.5 | 151.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1065 S1066 | G1063-D1065 PolarHBondContact O-N 2.82Å; G1063-D1065 VanDerWaalsContact O-N 3.09Å; G1063-S1066 VanDerWaalsContact O-CB 3.22Å; G1063-S1066 WeakPolarHBondContact O-CB 3.2Å; G1063-S1066 PolarHBondContact O-N 3.24Å; G1063-S1066 PolarHBondContact O-OG 2.72Å | ||
| 1064 | K | 58.9 | Low | 65.1 | Low | 196 Ų | 196 | 79.3 Ų | 79.3 | 85% | 0.852 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.3 | 177.3 | -76 | -173.5 | 171.9 | -173.1 | 0 | 113.5 | S1066 | K1064-S1066 VanDerWaalsContact C-N 3.26Å; K1064-S1066 PolarHBondContact O-N 3.12Å |
| 1065 | D | 50.5 | Low | 63.3 | Low | 130 Ų | 130 | 80.7 Ų | 80.7 | 70% | 0.695 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -15.3 | 176.9 | -46.5 | -39.3 | 0 | 0 | 0 | 112.1 | G1063 S1068 | G1063-D1065 PolarHBondContact O-N 2.82Å; G1063-D1065 VanDerWaalsContact O-N 3.09Å; D1065-S1068 PolarHBondContact O-OG 2.74Å; D1065-S1068 VanDerWaalsContact O-OG 3.06Å |
| 1066 | S | 49.2 | Very low | 61.6 | Low | 5 Ų | 5 | 85.5 Ų | 85.5 | 4% | 0.035 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -28.6 | 177.2 | -56.4 | 0 | 0 | 0 | 0 | 113.5 | G1063 K1064 S1068 L1069 I1070 Q1083 | G1063-S1066 VanDerWaalsContact O-CB 3.22Å; G1063-S1066 WeakPolarHBondContact O-CB 3.2Å; G1063-S1066 PolarHBondContact O-N 3.24Å; G1063-S1066 PolarHBondContact O-OG 2.72Å; K1064-S1066 VanDerWaalsContact C-N 3.26Å; K1064-S1066 PolarHBondContact O-N 3.12Å; S1066-S1068 PolarHBondContact O-N 3.25Å; S1066-S1068 VanDerWaalsContact O-N 3.14Å; S1066-L1069 WeakPolarHBondContact O-CA 3.14Å; S1066-L1069 PolarHBondContact O-N 2.83Å; S1066-I1070 PolarHBondContact O-N 3.44Å; S1066-Q1083 PolarHBondContact OG-NE2 3.36Å; S1066-Q1083 PolarHBondContact OG-OE1 2.84Å |
| 1067 | S | 46.6 | Very low | 60.1 | Low | 92 Ų | 92 | 87.3 Ų | 87.3 | 64% | 0.643 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.5 | -176.9 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1068 | S | 46.5 | Very low | 58.8 | Low | 89 Ų | 89 | 91.5 Ų | 91.5 | 62% | 0.622 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -12 | 171.8 | 36.9 | 0 | 0 | 0 | 0 | 114.8 | D1065 S1066 | D1065-S1068 PolarHBondContact O-OG 2.74Å; D1065-S1068 VanDerWaalsContact O-OG 3.06Å; S1066-S1068 PolarHBondContact O-N 3.25Å; S1066-S1068 VanDerWaalsContact O-N 3.14Å |
| 1069 | L | 44.4 | Very low | 57.7 | Low | 98 Ų | 98 | 100.3 Ų | 100.3 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -8.1 | -178.1 | -68.9 | 174.4 | 0 | 0 | 0 | 113.7 | S1066 N1071 L1075 | S1066-L1069 WeakPolarHBondContact O-CA 3.14Å; S1066-L1069 PolarHBondContact O-N 2.83Å; L1069-N1071 PolarHBondContact O-N 3Å; L1069-L1075 HydrophobicContact CB-CD1 4.16Å; L1069-L1075 WeakPolarHBondContact O-CD1 3.48Å |
| 1070 | I | 41.7 | Very low | 56.8 | Low | 123 Ų | 123 | 100.8 Ų | 100.8 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | trans | -77.1 | 38.8 | 169.9 | -42.6 | 177.5 | 0 | 0 | 0 | 110.8 | S1066 | S1066-I1070 PolarHBondContact O-N 3.44Š| ||
| 1071 | N | 43 | Very low | 56.2 | Low | 132 Ų | 132 | 104 Ų | 104 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | trans | -82.1 | 124.4 | 158.7 | -108.8 | -23.5 | 0 | 0 | 0 | 106.8 | L1069 M1073 | L1069-N1071 PolarHBondContact O-N 3Å; N1071-M1073 PolarHBondContact O-N 2.81Å | ||
| 1072 | R | 38.8 | Very low | 55.7 | Low | 254 Ų | 254 | 105 Ų | 105 | 96% | 0.958 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -74.5 | 34.2 | -160.4 | -151.1 | -173.6 | -63.7 | -165.9 | -0.5 | 114.9 | ||
| 1073 | M | 39.4 | Very low | 55.8 | Low | 165 Ų | 165 | 105.8 Ų | 105.8 | 81% | 0.813 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -107 | 98.1 | 178.9 | -72.7 | -173.5 | 137.2 | 0 | 0 | 110 | N1071 L1075 | N1071-M1073 PolarHBondContact O-N 2.81Å; M1073-L1075 PolarHBondContact O-N 2.85Å |
| 1074 | S | 47.2 | Very low | 56.7 | Low | 121 Ų | 121 | 107.4 Ų | 107.4 | 85% | 0.846 | 55% | 0.548 | S | S | * | . | trans | 16.6 | 71.2 | 159.5 | -159.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1075 | L | 48.2 | Very low | 58 | Low | 87 Ų | 87 | 98.1 Ų | 98.1 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | trans | -77.8 | 126.4 | 170.6 | -72.1 | 177.1 | 0 | 0 | 0 | 108 | L1069 M1073 N1077 | L1069-L1075 HydrophobicContact CB-CD1 4.16Å; L1069-L1075 WeakPolarHBondContact O-CD1 3.48Å; M1073-L1075 PolarHBondContact O-N 2.85Å; L1075-N1077 PolarHBondContact O-N 3.02Å; L1075-N1077 VanDerWaalsContact O-N 3.16Å | ||
| 1076 | N | 54.4 | Low | 59.8 | Low | 101 Ų | 101 | 97.6 Ų | 97.6 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | trans | -54.3 | 123.6 | 175.1 | -73 | -4 | 0 | 0 | 0 | 109.7 | D1078 Y1079 | N1076-D1078 PolarHBondContact O-N 2.86Å; N1076-Y1079 HydrophobicContact CB-CD2 4.31Å; N1076-Y1079 PolarHBondContact O-N 3.03Å; N1076-Y1079 VanDerWaalsContact O-N 3.09Å | ||
| 1077 | N | 57.4 | Low | 61.8 | Low | 58 Ų | 58 | 97.4 Ų | 97.4 | 31% | 0.31 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.9 | -20.5 | -175.3 | -104.1 | -24 | 0 | 0 | 0 | 113.3 | D1037 L1075 Y1079 L1080 R1081 | D1037-N1077 PolarHBondContact OD1-ND2 2.84Å; D1037-N1077 VanDerWaalsContact OD1-ND2 3.17Å; D1037-N1077 PolarHBondContact OD1-OD1 3.44Å; D1037-N1077 PolarHBondContact OD2-ND2 2.88Å; L1075-N1077 PolarHBondContact O-N 3.02Å; L1075-N1077 VanDerWaalsContact O-N 3.16Å; N1077-Y1079 VanDerWaalsContact C-N 3.34Å; N1077-Y1079 PolarHBondContact O-N 3.13Å; N1077-L1080 PolarHBondContact O-N 3.34Å; N1077-R1081 VanDerWaalsContact O-CG 3.28Å; N1077-R1081 WeakPolarHBondContact O-CG 3.48Å; N1077-R1081 PolarHBondContact O-N 3.03Å; N1077-R1081 VanDerWaalsContact O-N 3.12Å |
| 1078 | D | 63.8 | Low | 63.9 | Low | 95 Ų | 95 | 96.5 Ų | 96.5 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -52 | -43.8 | 172.6 | -56.9 | -40.1 | 0 | 0 | 0 | 113.5 | N1076 L1080 R1081 D1082 | N1076-D1078 PolarHBondContact O-N 2.86Å; D1078-L1080 PolarHBondContact O-N 2.84Å; D1078-R1081 WeakPolarHBondContact O-CB 3.15Å; D1078-R1081 PolarHBondContact O-N 2.89Å; D1078-D1082 PolarHBondContact O-N 2.96Å |
| 1079 | Y | 67.3 | Low | 65.9 | Low | 185 Ų | 185 | 92.3 Ų | 92.3 | 73% | 0.725 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.8 | -35.9 | -178.3 | -72.2 | -73.9 | 0 | 0 | 0 | 112.6 | N1076 N1077 R1081 Q1083 | N1076-Y1079 HydrophobicContact CB-CD2 4.31Å; N1076-Y1079 PolarHBondContact O-N 3.03Å; N1076-Y1079 VanDerWaalsContact O-N 3.09Å; N1077-Y1079 VanDerWaalsContact C-N 3.34Å; N1077-Y1079 PolarHBondContact O-N 3.13Å; Y1079-R1081 VanDerWaalsContact C-N 3.33Å; Y1079-Q1083 PolarHBondContact O-N 3.45Å |
| 1080 | L | 73.7 | Confident | 67.9 | Low | 32 Ų | 32 | 90.2 Ų | 90.2 | 17% | 0.168 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -69 | -34.9 | 176.1 | -65.3 | 178.2 | 0 | 0 | 0 | 110.9 | L1038 A1039 N1077 D1078 D1082 Q1083 F1085 G1167 | L1038-L1080 HydrophobicContact CB-CB 3.86Å; L1038-L1080 HydrophobicContact CB-CD1 3.92Å; L1038-L1080 HydrophobicContact CD1-CB 3.78Å; L1038-L1080 HydrophobicContact CG-CB 4.5Å; A1039-L1080 HydrophobicContact CB-CD1 4.46Å; N1077-L1080 PolarHBondContact O-N 3.34Å; D1078-L1080 PolarHBondContact O-N 2.84Å; L1080-D1082 VanDerWaalsContact C-N 3.3Å; L1080-D1082 PolarHBondContact O-N 3.29Å; L1080-Q1083 PolarHBondContact O-N 3.25Å; L1080-F1085 WeakPolarHBondContact O-CE2 3.25Å; L1080-G1167 WeakPolarHBondContact O-CA 3.49Å |
| 1081 | R | 77.7 | Confident | 69.4 | Low | 66 Ų | 66 | 88.1 Ų | 88.1 | 25% | 0.249 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 177.9 | -68.5 | -75.9 | 170.4 | 152.2 | -0.3 | 112.3 | L1038 N1077 D1078 Y1079 G1167 W1168 V1171 | L1038-R1081 HydrophobicContact CD1-CG 4.15Å; N1077-R1081 VanDerWaalsContact O-CG 3.28Å; N1077-R1081 WeakPolarHBondContact O-CG 3.48Å; N1077-R1081 PolarHBondContact O-N 3.03Å; N1077-R1081 VanDerWaalsContact O-N 3.12Å; D1078-R1081 WeakPolarHBondContact O-CB 3.15Å; D1078-R1081 PolarHBondContact O-N 2.89Å; Y1079-R1081 VanDerWaalsContact C-N 3.33Å; R1081-G1167 CarbonylContact O-C 3.6Å; R1081-G1167 WeakPolarHBondContact O-CA 3.37Å; R1081-G1167 PolarHBondContact O-N 3.49Å; R1081-G1167 VanDerWaalsContact O-N 3.1Å; R1081-W1168 HydrophobicContact CB-CB 4.19Å; R1081-W1168 VanDerWaalsContact O-CD1 3.25Å; R1081-W1168 PolarHBondContact O-N 2.9Å; R1081-V1171 VanDerWaalsContact NH1-CG1 3.31Å |
| 1082 | D | 76.2 | Confident | 70.4 | Confident | 119 Ų | 119 | 85.3 Ų | 85.3 | 64% | 0.636 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -88.9 | -4.9 | 178.3 | -74.2 | -14.4 | 0 | 0 | 0 | 114.2 | D1078 L1080 Y1166 | D1078-D1082 PolarHBondContact O-N 2.96Å; L1080-D1082 VanDerWaalsContact C-N 3.3Å; L1080-D1082 PolarHBondContact O-N 3.29Å; D1082-Y1166 WeakPolarHBondContact O-CD1 3.18Å |
| 1083 | Q | 81.2 | Confident | 71.1 | Confident | 46 Ų | 46 | 82.3 Ų | 82.3 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -74.5 | 142.4 | 173.5 | -177.2 | 164.9 | 43.6 | 0 | 0 | 111.7 | S1066 Y1079 L1080 F1085 Y1166 G1167 | S1066-Q1083 PolarHBondContact OG-NE2 3.36Å; S1066-Q1083 PolarHBondContact OG-OE1 2.84Å; Y1079-Q1083 PolarHBondContact O-N 3.45Å; L1080-Q1083 PolarHBondContact O-N 3.25Å; Q1083-F1085 HydrophobicContact CB-CE2 4.09Å; Q1083-F1085 HydrophobicContact CG-CE2 4.35Å; Q1083-F1085 WeakPolarHBondContact O-CD2 3.49Å; Q1083-Y1166 CarbonylContact O-C 3.55Å; Q1083-Y1166 VanDerWaalsContact O-CA 3.3Å; Q1083-Y1166 WeakPolarHBondContact O-CA 3.15Å; Q1083-G1167 PolarHBondContact O-N 3.32Å |
| 1084 | V | 83.7 | Confident | 71 | Confident | 62 Ų | 62 | 82.3 Ų | 82.3 | 38% | 0.376 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 122.1 | 171.7 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | L1164 Y1166 | V1084-L1164 HydrophobicContact CG1-CB 4.04Å; V1084-L1164 HydrophobicContact CG1-CD2 3.88Å; V1084-Y1166 HydrophobicContact CG2-CD1 3.65Å; V1084-Y1166 HydrophobicContact CG2-CE1 3.37Å; V1084-Y1166 HydrophobicContact CG2-CE2 4.36Å; V1084-Y1166 HydrophobicContact CG2-CG 4.26Å |
| 1085 | F | 86.3 | Confident | 70.5 | Confident | 1 Ų | 1 | 82.8 Ų | 82.8 | 0% | 0.004 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 151.5 | 172.9 | -65.1 | -103.1 | 0 | 0 | 0 | 110.7 | L1038 L1060 L1062 L1080 Q1083 L1164 L1165 G1167 V1170 | L1038-F1085 HydrophobicContact CD2-CE2 4.48Å; L1038-F1085 HydrophobicContact CD2-CZ 4.35Å; L1060-F1085 HydrophobicContact CD1-CB 3.73Å; L1060-F1085 HydrophobicContact CD1-CD1 3.94Å; L1060-F1085 HydrophobicContact CD1-CG 4.18Å; L1060-F1085 HydrophobicContact CD2-CD1 4.26Å; L1060-F1085 HydrophobicContact CG-CD1 4.28Å; L1062-F1085 HydrophobicContact CD1-CD1 3.9Å; L1062-F1085 HydrophobicContact CD1-CE1 3.84Å; L1062-F1085 HydrophobicContact CG-CD1 4.11Å; L1062-F1085 HydrophobicContact CG-CE1 3.84Å; L1080-F1085 WeakPolarHBondContact O-CE2 3.25Å; Q1083-F1085 HydrophobicContact CB-CE2 4.09Å; Q1083-F1085 HydrophobicContact CG-CE2 4.35Å; Q1083-F1085 WeakPolarHBondContact O-CD2 3.49Å; F1085-L1164 WeakPolarHBondContact O-CA 3.26Å; F1085-L1165 PolarHBondContact N-O 2.87Å; F1085-L1165 PolarHBondContact O-N 2.98Å; F1085-G1167 VanDerWaalsContact CE2-CA 3.5Å; F1085-V1170 HydrophobicContact CB-CG2 4Å; F1085-V1170 HydrophobicContact CD2-CG2 4.14Å; F1085-V1170 HydrophobicContact CG-CG2 4.17Å |
| 1086 | R | 89.2 | Confident | 69.5 | Low | 119 Ų | 119 | 82.4 Ų | 82.4 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119.1 | 177.9 | -177.5 | 179.4 | 174 | -138.5 | -0.1 | 110.2 | Y1061 D1162 L1163 L1164 | Y1061-R1086 PolarHBondContact N-O 2.85Å; Y1061-R1086 PolarHBondContact O-N 3.39Å; Y1061-R1086 VanDerWaalsContact O-N 3.14Å; R1086-D1162 IonicContact CZ-OD1 2.74Å; R1086-D1162 IonicContact CZ-OD2 3.74Å; R1086-D1162 IonicContact NE-OD1 3.39Å; R1086-D1162 IonicContact NE-OD2 2.57Å; R1086-D1162 PolarHBondContact NE-OD2 3.13Å; R1086-D1162 VanDerWaalsContact NH2-CG 3.3Å; R1086-D1162 IonicContact NH2-OD1 2.73Å; R1086-D1162 PolarHBondContact NH2-OD1 2.85Å; R1086-D1162 IonicContact NH2-OD2 3.22Å; R1086-D1162 PolarHBondContact NH2-OD2 3.48Å; R1086-L1163 CarbonylContact C-O 3.41Å; R1086-L1163 WeakPolarHBondContact CA-O 3.36Å; R1086-L1164 HydrophobicContact CB-CD2 3.86Å; R1086-L1164 HydrophobicContact CG-CD2 4.08Å |
| 1087 | I | 91 | Very high | 68.2 | Low | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.9 | 177.2 | -55.4 | 170.4 | 0 | 0 | 0 | 109 | V1047 V1049 T1059 L1060 L1089 D1162 L1163 L1165 | V1047-I1087 HydrophobicContact CG2-CD1 4.19Å; V1047-I1087 HydrophobicContact CG2-CG1 4.45Å; V1047-I1087 HydrophobicContact CG2-CG2 3.93Å; V1049-I1087 HydrophobicContact CG2-CD1 3.74Å; V1049-I1087 HydrophobicContact CG2-CG2 3.96Å; T1059-I1087 CarbonylContact O-C 3.37Å; T1059-I1087 WeakPolarHBondContact O-CA 3.35Å; L1060-I1087 HydrophobicContact CD1-CD1 4.15Å; L1060-I1087 HydrophobicContact CD1-CG1 3.56Å; I1087-L1089 HydrophobicContact CG2-CD2 4Å; I1087-D1162 WeakPolarHBondContact O-CA 3.38Å; I1087-L1163 HydrophobicContact CB-CB 4.34Å; I1087-L1163 PolarHBondContact N-O 3.15Å; I1087-L1163 PolarHBondContact O-N 2.92Å; I1087-L1165 HydrophobicContact CD1-CD1 3.91Å |
| 1088 | H | 89.9 | Confident | 66.7 | Low | 73 Ų | 73 | 85.4 Ų | 85.4 | 34% | 0.338 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 115.7 | 171.8 | -168.3 | 69.4 | 0 | 0 | 0 | 109.7 | G1058 T1059 Y1061 D1162 | G1058-H1088 CarbonylContact C-O 3.4Å; G1058-H1088 WeakPolarHBondContact CA-O 3.39Å; T1059-H1088 PolarHBondContact N-O 2.74Å; T1059-H1088 PolarHBondContact O-N 2.71Å; Y1061-H1088 HydrophobicContact CD2-CB 4.3Å; Y1061-H1088 HydrophobicContact CE2-CB 3.82Å; H1088-D1162 IonicContact CE1-OD1 2.79Å; H1088-D1162 IonicContact CG-OD1 3.59Å; H1088-D1162 IonicContact ND1-OD1 2.77Å; H1088-D1162 PolarHBondContact ND1-OD1 2.77Å |
| 1089 | L | 89.3 | Confident | 65 | Low | 2 Ų | 2 | 87.8 Ų | 87.8 | 1% | 0.01 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.6 | -174.4 | -61.2 | 172 | 0 | 0 | 0 | 111.7 | V1049 R1056 I1087 T1091 M1161 L1163 | V1049-L1089 HydrophobicContact CB-CD2 4.08Å; V1049-L1089 HydrophobicContact CG2-CD2 3.85Å; R1056-L1089 HydrophobicContact CG-CB 4.33Å; R1056-L1089 HydrophobicContact CG-CD2 4.36Å; R1056-L1089 PolarHBondContact NH2-O 3.4Å; R1056-L1089 VanDerWaalsContact NH2-O 3.16Å; I1087-L1089 HydrophobicContact CG2-CD2 4Å; L1089-T1091 PolarHBondContact O-N 3.02Å; L1089-M1161 PolarHBondContact N-O 3.2Å; L1089-L1163 HydrophobicContact CD1-CB 4.47Å |
| 1090 | D | 86.4 | Confident | 62.9 | Low | 53 Ų | 53 | 84 Ų | 84 | 28% | 0.283 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 132.6 | -175.4 | -74 | -10.4 | 0 | 0 | 0 | 112.1 | R1046 R1056 A1057 V1202 | R1046-D1090 IonicContact CZ-OD1 3.33Å; R1046-D1090 IonicContact CZ-OD2 2.64Å; R1046-D1090 VanDerWaalsContact CZ-OD2 3.31Å; R1046-D1090 VanDerWaalsContact NH1-CG 3.31Å; R1046-D1090 IonicContact NH1-OD1 2.65Å; R1046-D1090 PolarHBondContact NH1-OD1 2.84Å; R1046-D1090 IonicContact NH1-OD2 3.88Å; R1046-D1090 PolarHBondContact NH1-OD2 3.42Å; R1046-D1090 IonicContact NH2-OD1 2.65Å; R1046-D1090 IonicContact NH2-OD2 2.67Å; R1046-D1090 PolarHBondContact NH2-OD2 3.29Å; R1056-D1090 PolarHBondContact NE-O 2.77Å; R1056-D1090 VanDerWaalsContact NE-O 3.12Å; R1056-D1090 PolarHBondContact NH2-O 2.77Å; A1057-D1090 PolarHBondContact O-N 3.5Å; D1090-V1202 VanDerWaalsContact O-CG1 3.26Å; D1090-V1202 WeakPolarHBondContact O-CG1 3.4Å |
| 1091 | T | 73.9 | Confident | 60.6 | Low | 80 Ų | 80 | 94.2 Ų | 94.2 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 151.4 | 178.2 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | L1089 K1093 M1161 | L1089-T1091 PolarHBondContact O-N 3.02Å; T1091-K1093 PolarHBondContact O-N 3.16Å; T1091-K1093 VanDerWaalsContact O-N 3.09Å; T1091-M1161 HydrophobicContact CG2-CE 4.33Å; T1091-M1161 HydrophobicContact CG2-CG 4.48Å; T1091-M1161 HydrophobicContact CG2-SD 3.52Å; T1091-M1161 VanDerWaalsContact CG2-SD 3.52Å |
| 1092 | E | 62.6 | Low | 58.3 | Low | 72 Ų | 72 | 97.8 Ų | 97.8 | 34% | 0.336 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 116.5 | 166.1 | -71.2 | 162.3 | -137.2 | 0 | 0 | 110.1 | F1094 R1157 V1202 | E1092-F1094 VanDerWaalsContact C-N 3.35Å; E1092-F1094 HydrophobicContact CB-CE2 4.41Å; E1092-F1094 PolarHBondContact O-N 3.3Å; E1092-R1157 IonicContact OE1-CZ 2.77Å; E1092-R1157 IonicContact OE1-NH1 3.85Å; E1092-R1157 PolarHBondContact OE1-NH1 3.48Å; E1092-R1157 IonicContact OE1-NH2 2.73Å; E1092-R1157 PolarHBondContact OE1-NH2 2.71Å; E1092-R1157 IonicContact OE2-CZ 3.79Å; E1092-R1157 IonicContact OE2-NH1 2.72Å; E1092-R1157 PolarHBondContact OE2-NH1 2.99Å; E1092-R1157 IonicContact OE2-NH2 3.16Å; E1092-R1157 PolarHBondContact OE2-NH2 3.42Å; E1092-V1202 VanDerWaalsContact CA-CG2 3.46Å; E1092-V1202 HydrophobicContact CB-CG2 4.2Å; E1092-V1202 HydrophobicContact CG-CG2 3.75Å |
| 1093 | K | 53.3 | Low | 55.8 | Low | 192 Ų | 192 | 99 Ų | 99 | 84% | 0.835 | 53% | 0.528 | S | S | * | . | trans | -68.9 | 94.3 | 172 | -69.4 | -179.3 | -176.6 | 172.6 | 0 | 107.9 | T1091 T1095 | T1091-K1093 PolarHBondContact O-N 3.16Å; T1091-K1093 VanDerWaalsContact O-N 3.09Å; K1093-T1095 VanDerWaalsContact C-N 3.27Å; K1093-T1095 PolarHBondContact O-N 3.03Å | ||
| 1094 | F | 38.2 | Very low | 53.3 | Low | 164 Ų | 164 | 104.2 Ų | 104.2 | 72% | 0.719 | 56% | 0.557 | S | S | * | * | trans | -64.9 | 89.4 | 167.8 | -83 | -87.3 | 0 | 0 | 0 | 109.5 | E1092 G1096 | E1092-F1094 VanDerWaalsContact C-N 3.35Å; E1092-F1094 HydrophobicContact CB-CE2 4.41Å; E1092-F1094 PolarHBondContact O-N 3.3Å; F1094-G1096 PolarHBondContact O-N 3.42Å | ||
| 1095 | T | 36.6 | Very low | 50.3 | Low | 132 Ų | 132 | 111 Ų | 111 | 81% | 0.81 | 58% | 0.577 | S | S | * | * | trans | -71.5 | 65.1 | 165 | 44.6 | 0 | 0 | 0 | 0 | 109.6 | K1093 S1097 | K1093-T1095 VanDerWaalsContact C-N 3.27Å; K1093-T1095 PolarHBondContact O-N 3.03Å; T1095-S1097 PolarHBondContact O-N 3.45Å | ||
| 1096 | G | 26.7 | Very low | 47.4 | Very low | 79 Ų | 79 | 117.8 Ų | 117.8 | 81% | 0.814 | 61% | 0.613 | S | S | * | * | trans | -72 | 70.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1094 | F1094-G1096 PolarHBondContact O-N 3.42Š| ||
| 1097 | S | 28.5 | Very low | 44.4 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | trans | -140.7 | 110.5 | 160.8 | -168.1 | 0 | 0 | 0 | 0 | 110.5 | T1095 N1099 | T1095-S1097 PolarHBondContact O-N 3.45Å; S1097-N1099 PolarHBondContact O-N 3.4Å | ||
| 1098 | T | 26.1 | Very low | 41.1 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | trans | -51.5 | 124.8 | 155.1 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1099 | N | 26.9 | Very low | 38.2 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | 167.9 | 141.9 | 121.8 | -83.4 | -21.1 | 0 | 0 | 0 | 110.9 | S1097 R1101 | S1097-N1099 PolarHBondContact O-N 3.4Å; N1099-R1101 PolarHBondContact O-N 3.39Å | |||
| 1100 | S | 24.1 | Very low | 35.1 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -48.3 | 118.6 | 170.9 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1101 | R | 24.2 | Very low | 32.4 | Very low | 245 Ų | 245 | 145.3 Ų | 145.3 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | trans | -114.8 | 102 | 151.3 | -84.6 | -169.9 | 176.7 | 179.4 | 0.9 | 109.4 | N1099 | N1099-R1101 PolarHBondContact O-N 3.39Š| ||
| 1102 | I | 29 | Very low | 30.2 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | -49.1 | 139.1 | 164.8 | -70 | 157.1 | 0 | 0 | 0 | 109.3 | N1104 | I1102-N1104 PolarHBondContact O-N 3.07Š| ||
| 1103 | N | 24.5 | Very low | 28.4 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -51.9 | 119.1 | 170 | -69.8 | -25.5 | 0 | 0 | 0 | 110.5 | ||||
| 1104 | N | 27.9 | Very low | 27.1 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -148.4 | 95.8 | 158.9 | -99.1 | -34.2 | 0 | 0 | 0 | 108.4 | I1102 | I1102-N1104 PolarHBondContact O-N 3.07Š| ||
| 1105 | Y | 22.7 | Very low | 26.4 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -66.4 | 160.4 | 162.2 | -85 | -92.9 | 0 | 0 | 0 | 110 | ||||
| 1106 | N | 24.3 | Very low | 26 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | 71.6 | 79.3 | 164.5 | -52.8 | -26.1 | 0 | 0 | 0 | 117.7 | ||||
| 1107 | R | 25.7 | Very low | 26 | Very low | 227 Ų | 227 | 147.5 Ų | 147.5 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -150.2 | 85.8 | 135 | -160.7 | 166 | -71.3 | -167.5 | -2.6 | 112.7 | L1109 | R1107-L1109 PolarHBondContact O-N 3.05Š| ||
| 1108 | F | 22.2 | Very low | 25.8 | Very low | 205 Ų | 205 | 149.5 Ų | 149.5 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | trans | -72 | 114.9 | 157 | -82.7 | -90.3 | 0 | 0 | 0 | 108.9 | ||||
| 1109 | L | 28.5 | Very low | 25.9 | Very low | 159 Ų | 159 | 151.8 Ų | 151.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -144.4 | 133.7 | 156.2 | -85 | 179.4 | 0 | 0 | 0 | 108.9 | R1107 | R1107-L1109 PolarHBondContact O-N 3.05Š| ||
| 1110 | S | 25.1 | Very low | 25.8 | Very low | 112 Ų | 112 | 154 Ų | 154 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 167.8 | -165.6 | -57.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1111 | P | 28.4 | Very low | 25.8 | Very low | 121 Ų | 121 | 155.6 Ų | 155.6 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 156 | -169.6 | -12.2 | 28.7 | 0 | 0 | 0 | 114.8 | ||
| 1112 | P | 28.6 | Very low | 26 | Very low | 125 Ų | 125 | 149 Ų | 149 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 145.6 | 173.5 | 33 | -34.7 | 0 | 0 | 0 | 112.7 | ||
| 1113 | P | 25.5 | Very low | 25.7 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 151.4 | 178.7 | 37.1 | -34.8 | 0 | 0 | 0 | 114.2 | ||
| 1114 | S | 24.6 | Very low | 25.8 | Very low | 91 Ų | 91 | 151.3 Ų | 151.3 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | 42.8 | 112.5 | 145.8 | 66.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1115 | N | 24.5 | Very low | 25.7 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | 165.9 | 166.5 | 97.2 | -89.1 | -35.1 | 0 | 0 | 0 | 114.6 | |||||
| 1116 | H | 28.2 | Very low | 25.9 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | trans | 81.8 | 94.6 | 163.2 | -74.7 | -71.8 | 0 | 0 | 0 | 121.6 | ||||
| 1117 | V | 26.2 | Very low | 26 | Very low | 126 Ų | 126 | 148 Ų | 148 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | 68.2 | 124.8 | 115 | 174.3 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1118 | N | 25 | Very low | 25.9 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -59.2 | 151.5 | 168.7 | -76.5 | -34 | 0 | 0 | 0 | 114.4 | ||||
| 1119 | N | 27.2 | Very low | 26 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | -169.9 | 149.2 | 121.9 | -94.6 | -22.8 | 0 | 0 | 0 | 112.6 | |||||
| 1120 | Q | 25.1 | Very low | 25.8 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -129.2 | 131.9 | 176.2 | -67.4 | -180 | -9.2 | 0 | 0 | 110.4 | ||||
| 1121 | V | 23.8 | Very low | 25.7 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | -156.5 | 163.8 | 159 | -162.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1122 | V | 28.5 | Very low | 25.4 | Very low | 107 Ų | 107 | 140 Ų | 140 | 65% | 0.648 | 76% | 0.759 | S | S | * | * | trans | 83.1 | 112.2 | 165.1 | -166.4 | 0 | 0 | 0 | 0 | 115.8 | Y1124 | V1122-Y1124 HydrophobicContact CG1-CD2 4.36Å; V1122-Y1124 HydrophobicContact CG1-CE2 4.26Å | ||
| 1123 | S | 23.7 | Very low | 25.3 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | cis | 84.7 | 111.3 | 20.6 | -50.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 1124 | Y | 26.6 | Very low | 25 | Very low | 232 Ų | 232 | 140.2 Ų | 140.2 | 91% | 0.91 | 77% | 0.766 | S | S | * | * | trans | -162.1 | 159.4 | 149 | -92.9 | -61.7 | 0 | 0 | 0 | 112.3 | V1122 | V1122-Y1124 HydrophobicContact CG1-CD2 4.36Å; V1122-Y1124 HydrophobicContact CG1-CE2 4.26Å | ||
| 1125 | S | 25.1 | Very low | 25 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -147.6 | 146.3 | -162.5 | 52.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1126 | T | 27.3 | Very low | 24.9 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | 54.2 | 112.3 | 146 | -45.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 1127 | Y | 26.2 | Very low | 24.5 | Very low | 199 Ų | 199 | 136 Ų | 136 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -162.6 | 162.3 | 152.1 | -121.6 | -96.1 | 0 | 0 | 0 | 110.1 | ||||
| 1128 | R | 22.8 | Very low | 24.2 | Very low | 168 Ų | 168 | 135 Ų | 135 | 63% | 0.634 | 77% | 0.765 | S | S | * | * | -166.6 | 144.4 | -53.6 | -159.1 | -147.9 | -85.5 | -133.4 | 5.5 | 108.7 | |||||
| 1129 | Q | 25.8 | Very low | 24 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | trans | 69.7 | 166.1 | 163.4 | -57.6 | -154.8 | -47.7 | 0 | 0 | 117.9 | ||||
| 1130 | L | 24.1 | Very low | 23.7 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | cis | -161.3 | 162.6 | -17 | -114.3 | 169.9 | 0 | 0 | 0 | 110.6 | ||||
| 1131 | S | 23.3 | Very low | 23.6 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | trans | 38.4 | 112.8 | 149.4 | 62.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1132 | S | 21.1 | Very low | 23.4 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | 24.4 | 122.8 | 127.3 | 60.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1133 | S | 25.9 | Very low | 23.1 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | -171.1 | 162.7 | 117.7 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1134 | S | 21 | Very low | 22.9 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -95.3 | 141.1 | -167.7 | 51.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1135 | S | 23.1 | Very low | 22.8 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -178.8 | 142.3 | 130.5 | 53.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1136 | S | 22.1 | Very low | 22.8 | Very low | 96 Ų | 96 | 119.7 Ų | 119.7 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | trans | 51.2 | 108.5 | 149.9 | 57.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1137 | S | 19.7 | Very low | 22.7 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | 18.6 | 127.5 | 125.2 | 58.1 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 1138 | S | 20.5 | Very low | 22.6 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | -177.1 | 171.6 | 50.3 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1139 | S | 20.3 | Very low | 22.6 | Very low | 101 Ų | 101 | 113.4 Ų | 113.4 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 60.2 | 74.4 | 156.8 | 46.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1140 | S | 21.4 | Very low | 22.3 | Very low | 123 Ų | 123 | 112.5 Ų | 112.5 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | 38.4 | 100.2 | 114.2 | -47.2 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1141 | A | 22.5 | Very low | 22.2 | Very low | 105 Ų | 105 | 116 Ų | 116 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | -154.5 | 54.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1143 | A1141-S1143 PolarHBondContact O-N 3.17Š| ||
| 1142 | S | 20.4 | Very low | 22.4 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -73.1 | 119.8 | 179.4 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1143 | S | 21.8 | Very low | 22.6 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -55.2 | 141 | 156.6 | 48.4 | 0 | 0 | 0 | 0 | 111.2 | A1141 | A1141-S1143 PolarHBondContact O-N 3.17Š| ||
| 1144 | S | 19.9 | Very low | 23.1 | Very low | 100 Ų | 100 | 120.9 Ų | 120.9 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -167.4 | 103 | 150.8 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1145 | S | 25.4 | Very low | 23.7 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | -67.7 | 126.9 | 145.1 | 177 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1146 | S | 24.2 | Very low | 24.4 | Very low | 83 Ų | 83 | 124.3 Ų | 124.3 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | trans | -176.2 | 128.8 | 151.5 | 52.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1147 | N | 24.3 | Very low | 25.3 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 71.2 | 109.3 | 139 | -59.9 | -15.6 | 0 | 0 | 0 | 120.6 | ||||
| 1148 | N | 24.4 | Very low | 26.2 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | 64.1 | 102.8 | 121.9 | -53 | -20.6 | 0 | 0 | 0 | 118.4 | |||||
| 1149 | S | 23.6 | Very low | 27.3 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | -179.4 | 120 | 107.3 | -171.3 | 0 | 0 | 0 | 0 | 110.9 | R1151 | S1149-R1151 PolarHBondContact O-N 2.71Å; S1149-R1151 WeakPolarHBondContact OG-CG 3.36Å | |||
| 1150 | C | 18.4 | Very low | 29.1 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 90% | 0.899 | 75% | 0.749 | S | S | * | * | trans | -63.9 | 90.9 | 166.4 | 38.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1151 | R | 23.7 | Very low | 31.4 | Very low | 207 Ų | 207 | 133.4 Ų | 133.4 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | -114.2 | 87.8 | 174.8 | -69.6 | -170.7 | -178.4 | -168.4 | 0.6 | 112.9 | S1149 F1153 | S1149-R1151 PolarHBondContact O-N 2.71Å; S1149-R1151 WeakPolarHBondContact OG-CG 3.36Å; R1151-F1153 PolarHBondContact O-N 3.02Å | ||
| 1152 | L | 26.6 | Very low | 34.2 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | 20.2 | 98.4 | 139.1 | -67.4 | 167.1 | 0 | 0 | 0 | 117.6 | ||||
| 1153 | F | 26.1 | Very low | 37.4 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 72% | 0.724 | 66% | 0.659 | S | S | * | * | trans | -152.3 | 62.5 | 150.9 | -80.7 | -52.1 | 0 | 0 | 0 | 115.1 | R1151 K1155 | R1151-F1153 PolarHBondContact O-N 3.02Å; F1153-K1155 HydrophobicContact CD1-CD 4.01Å; F1153-K1155 HydrophobicContact CD1-CG 4.23Å; F1153-K1155 HydrophobicContact CE1-CD 4.4Å; F1153-K1155 VanDerWaalsContact CE1-CE 3.45Å; F1153-K1155 VanDerWaalsContact CE1-NZ 3.35Å | ||
| 1154 | S | 36.2 | Very low | 40.6 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 90% | 0.895 | 64% | 0.638 | S | S | * | * | trans | -102.2 | 71.4 | 157.1 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | N1156 | S1154-N1156 PolarHBondContact O-N 2.95Å; S1154-N1156 VanDerWaalsContact O-N 3.15Å | ||
| 1155 | K | 33.4 | Very low | 43.9 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | trans | -73.1 | 99.1 | 174.5 | -75 | 166.2 | 171.8 | 159.3 | 0 | 109.3 | F1153 | F1153-K1155 HydrophobicContact CD1-CD 4.01Å; F1153-K1155 HydrophobicContact CD1-CG 4.23Å; F1153-K1155 HydrophobicContact CE1-CD 4.4Å; F1153-K1155 VanDerWaalsContact CE1-CE 3.45Å; F1153-K1155 VanDerWaalsContact CE1-NZ 3.35Å | ||
| 1156 | N | 37.2 | Very low | 46.9 | Very low | 157 Ų | 157 | 118.5 Ų | 118.5 | 84% | 0.84 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -178.8 | -21.3 | 134.1 | -91.3 | -3 | 0 | 0 | 0 | 116.2 | S1154 R1158 | S1154-N1156 PolarHBondContact O-N 2.95Å; S1154-N1156 VanDerWaalsContact O-N 3.15Å; N1156-R1158 PolarHBondContact O-N 2.71Å |
| 1157 | R | 40.6 | Very low | 49.9 | Very low | 144 Ų | 144 | 114.5 Ų | 114.5 | 54% | 0.543 | 55% | 0.553 | S | S | . | * | trans | -73.5 | 15.9 | 179.8 | -72.6 | -171.6 | -179.1 | -126.8 | 18.4 | 116.1 | E1092 R1159 | E1092-R1157 IonicContact OE1-CZ 2.77Å; E1092-R1157 IonicContact OE1-NH1 3.85Å; E1092-R1157 PolarHBondContact OE1-NH1 3.48Å; E1092-R1157 IonicContact OE1-NH2 2.73Å; E1092-R1157 PolarHBondContact OE1-NH2 2.71Å; E1092-R1157 IonicContact OE2-CZ 3.79Å; E1092-R1157 IonicContact OE2-NH1 2.72Å; E1092-R1157 PolarHBondContact OE2-NH1 2.99Å; E1092-R1157 IonicContact OE2-NH2 3.16Å; E1092-R1157 PolarHBondContact OE2-NH2 3.42Å; R1157-R1159 VanDerWaalsContact C-N 3.34Å; R1157-R1159 PolarHBondContact O-N 3.45Å; R1157-R1159 VanDerWaalsContact O-N 3.12Å | ||
| 1158 | R | 38.9 | Very low | 52.7 | Low | 213 Ų | 213 | 111.2 Ų | 111.2 | 80% | 0.804 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 22.7 | -158.1 | -142.3 | -177.8 | -157.1 | 163.7 | 7.2 | 116.3 | N1156 | N1156-R1158 PolarHBondContact O-N 2.71Š|
| 1159 | R | 44.2 | Very low | 55.7 | Low | 214 Ų | 214 | 104.4 Ų | 104.4 | 81% | 0.808 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.4 | -1.6 | -172.7 | -69.2 | -168.7 | 178.8 | -173.6 | -2.4 | 117.4 | R1157 | R1157-R1159 VanDerWaalsContact C-N 3.34Å; R1157-R1159 PolarHBondContact O-N 3.45Å; R1157-R1159 VanDerWaalsContact O-N 3.12Å |
| 1160 | Q | 58.7 | Low | 58.7 | Low | 113 Ų | 113 | 100.4 Ų | 100.4 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -124.4 | 46.2 | -175.5 | -160 | -177.8 | -2.3 | 0 | 0 | 112.4 | R1056 | R1056-Q1160 PolarHBondContact NH1-O 2.72Š|
| 1161 | M | 69.3 | Low | 61.8 | Low | 43 Ų | 43 | 94.1 Ų | 94.1 | 21% | 0.212 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -118.7 | -30.4 | -179.6 | -59.1 | -55.8 | 149.4 | 0 | 0 | 113 | R1056 L1089 T1091 | R1056-M1161 PolarHBondContact NH2-SD 2.74Å; L1089-M1161 PolarHBondContact N-O 3.2Å; T1091-M1161 HydrophobicContact CG2-CE 4.33Å; T1091-M1161 HydrophobicContact CG2-CG 4.48Å; T1091-M1161 HydrophobicContact CG2-SD 3.52Å; T1091-M1161 VanDerWaalsContact CG2-SD 3.52Å |
| 1162 | D | 81.9 | Confident | 64.6 | Low | 66 Ų | 66 | 87.5 Ų | 87.5 | 35% | 0.353 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.9 | 172.9 | -59.6 | -32 | 0 | 0 | 0 | 109.1 | R1086 I1087 H1088 | R1086-D1162 IonicContact CZ-OD1 2.74Å; R1086-D1162 IonicContact CZ-OD2 3.74Å; R1086-D1162 IonicContact NE-OD1 3.39Å; R1086-D1162 IonicContact NE-OD2 2.57Å; R1086-D1162 PolarHBondContact NE-OD2 3.13Å; R1086-D1162 VanDerWaalsContact NH2-CG 3.3Å; R1086-D1162 IonicContact NH2-OD1 2.73Å; R1086-D1162 PolarHBondContact NH2-OD1 2.85Å; R1086-D1162 IonicContact NH2-OD2 3.22Å; R1086-D1162 PolarHBondContact NH2-OD2 3.48Å; I1087-D1162 WeakPolarHBondContact O-CA 3.38Å; H1088-D1162 IonicContact CE1-OD1 2.79Å; H1088-D1162 IonicContact CG-OD1 3.59Å; H1088-D1162 IonicContact ND1-OD1 2.77Å; H1088-D1162 PolarHBondContact ND1-OD1 2.77Å |
| 1163 | L | 86.7 | Confident | 67.4 | Low | 9 Ų | 9 | 81 Ų | 81 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 140.5 | 169.4 | -159.3 | 68.2 | 0 | 0 | 0 | 108.6 | V1049 R1086 I1087 L1089 L1165 P1269 L1271 | V1049-L1163 HydrophobicContact CG1-CD2 3.73Å; R1086-L1163 CarbonylContact C-O 3.41Å; R1086-L1163 WeakPolarHBondContact CA-O 3.36Å; I1087-L1163 HydrophobicContact CB-CB 4.34Å; I1087-L1163 PolarHBondContact N-O 3.15Å; I1087-L1163 PolarHBondContact O-N 2.92Å; L1089-L1163 HydrophobicContact CD1-CB 4.47Å; L1163-L1165 HydrophobicContact CD2-CD1 3.88Å; L1163-L1165 HydrophobicContact CD2-CD2 4.06Å; L1163-L1165 HydrophobicContact CD2-CG 3.88Å; L1163-L1165 HydrophobicContact CG-CD2 4.18Å; L1163-L1165 HydrophobicContact CG-CG 4.08Å; L1163-P1269 HydrophobicContact CD1-CB 3.6Å; L1163-P1269 HydrophobicContact CD1-CG 4.29Å; L1163-P1269 HydrophobicContact CG-CB 4.42Å; L1163-L1271 HydrophobicContact CD1-CD2 4.37Å |
| 1164 | L | 89.5 | Confident | 70.3 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 37% | 0.372 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 119.3 | 172.3 | -71.6 | 164.2 | 0 | 0 | 0 | 107.6 | V1084 F1085 R1086 | V1084-L1164 HydrophobicContact CG1-CB 4.04Å; V1084-L1164 HydrophobicContact CG1-CD2 3.88Å; F1085-L1164 WeakPolarHBondContact O-CA 3.26Å; R1086-L1164 HydrophobicContact CB-CD2 3.86Å; R1086-L1164 HydrophobicContact CG-CD2 4.08Å |
| 1165 | L | 88.8 | Confident | 72.8 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 139.7 | -178.7 | -67.1 | -174.5 | 0 | 0 | 0 | 109.4 | F1085 I1087 L1163 Q1169 V1170 Q1173 P1269 | F1085-L1165 PolarHBondContact N-O 2.87Å; F1085-L1165 PolarHBondContact O-N 2.98Å; I1087-L1165 HydrophobicContact CD1-CD1 3.91Å; L1163-L1165 HydrophobicContact CD2-CD1 3.88Å; L1163-L1165 HydrophobicContact CD2-CD2 4.06Å; L1163-L1165 HydrophobicContact CD2-CG 3.88Å; L1163-L1165 HydrophobicContact CG-CD2 4.18Å; L1163-L1165 HydrophobicContact CG-CG 4.08Å; L1165-Q1169 HydrophobicContact CB-CB 4.03Å; L1165-Q1169 HydrophobicContact CD2-CB 4.16Å; L1165-Q1169 HydrophobicContact CG-CB 4.48Å; L1165-V1170 HydrophobicContact CB-CG2 3.86Å; L1165-V1170 HydrophobicContact CD1-CG2 4.43Å; L1165-Q1173 HydrophobicContact CD1-CB 4.28Å; L1165-P1269 HydrophobicContact CD2-CB 4.39Å |
| 1166 | Y | 88.3 | Confident | 75.4 | Confident | 99 Ų | 99 | 64 Ų | 64 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 153.1 | 165.2 | -71.7 | -84.1 | 0 | 0 | 0 | 110.5 | D1082 Q1083 V1084 W1168 Q1169 V1170 | D1082-Y1166 WeakPolarHBondContact O-CD1 3.18Å; Q1083-Y1166 CarbonylContact O-C 3.55Å; Q1083-Y1166 VanDerWaalsContact O-CA 3.3Å; Q1083-Y1166 WeakPolarHBondContact O-CA 3.15Å; V1084-Y1166 HydrophobicContact CG2-CD1 3.65Å; V1084-Y1166 HydrophobicContact CG2-CE1 3.37Å; V1084-Y1166 HydrophobicContact CG2-CE2 4.36Å; V1084-Y1166 HydrophobicContact CG2-CG 4.26Å; Y1166-W1168 AromaticContact CG-NE1 3.82Å; Y1166-W1168 PolarHBondContact O-N 3.38Å; Y1166-Q1169 CarbonylContact O-C 3.48Å; Y1166-Q1169 WeakPolarHBondContact O-CA 3.26Å; Y1166-Q1169 VanDerWaalsContact O-CB 3.3Å; Y1166-Q1169 WeakPolarHBondContact O-CB 3.46Å; Y1166-Q1169 PolarHBondContact O-N 2.65Å; Y1166-V1170 PolarHBondContact O-N 3.09Å |
| 1167 | G | 86.9 | Confident | 78 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55 | -38.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1080 R1081 Q1083 F1085 Q1169 V1170 V1171 | L1080-G1167 WeakPolarHBondContact O-CA 3.49Å; R1081-G1167 CarbonylContact O-C 3.6Å; R1081-G1167 WeakPolarHBondContact O-CA 3.37Å; R1081-G1167 PolarHBondContact O-N 3.49Å; R1081-G1167 VanDerWaalsContact O-N 3.1Å; Q1083-G1167 PolarHBondContact O-N 3.32Å; F1085-G1167 VanDerWaalsContact CE2-CA 3.5Å; G1167-Q1169 VanDerWaalsContact C-N 3.29Å; G1167-Q1169 PolarHBondContact O-N 2.8Å; G1167-V1170 WeakPolarHBondContact O-CB 3.36Å; G1167-V1170 PolarHBondContact O-N 3Å; G1167-V1171 WeakPolarHBondContact O-CG2 3.32Å; G1167-V1171 PolarHBondContact O-N 3.12Å; G1167-V1171 VanDerWaalsContact O-N 3.14Å |
| 1168 | W | 83.6 | Confident | 80.3 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 24% | 0.242 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -33.5 | 173.2 | 71.7 | -101.2 | 0 | 0 | 0 | 113.2 | R1081 Y1166 Q1172 C1266 L1267 | R1081-W1168 HydrophobicContact CB-CB 4.19Å; R1081-W1168 VanDerWaalsContact O-CD1 3.25Å; R1081-W1168 PolarHBondContact O-N 2.9Å; Y1166-W1168 AromaticContact CG-NE1 3.82Å; Y1166-W1168 PolarHBondContact O-N 3.38Å; W1168-Q1172 VanDerWaalsContact CE3-OE1 3.31Å; W1168-Q1172 VanDerWaalsContact CZ3-OE1 3.22Å; W1168-Q1172 WeakPolarHBondContact O-CG 3.48Å; W1168-Q1172 PolarHBondContact O-N 3.3Å; W1168-C1266 HydrophobicContact CH2-CB 3.85Å; W1168-C1266 VanDerWaalsContact CH2-O 3.24Å; W1168-C1266 WeakPolarHBondContact CH2-O 3.25Å; W1168-L1267 HydrophobicContact CZ3-CD2 4.47Å |
| 1169 | Q | 87.6 | Confident | 82.7 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.9 | -37.6 | 172.7 | -66.4 | 176.7 | -51.2 | 0 | 0 | 111.5 | L1165 Y1166 G1167 V1171 Q1172 Q1173 C1266 | L1165-Q1169 HydrophobicContact CB-CB 4.03Å; L1165-Q1169 HydrophobicContact CD2-CB 4.16Å; L1165-Q1169 HydrophobicContact CG-CB 4.48Å; Y1166-Q1169 CarbonylContact O-C 3.48Å; Y1166-Q1169 WeakPolarHBondContact O-CA 3.26Å; Y1166-Q1169 VanDerWaalsContact O-CB 3.3Å; Y1166-Q1169 WeakPolarHBondContact O-CB 3.46Å; Y1166-Q1169 PolarHBondContact O-N 2.65Å; G1167-Q1169 VanDerWaalsContact C-N 3.29Å; G1167-Q1169 PolarHBondContact O-N 2.8Å; Q1169-V1171 VanDerWaalsContact C-N 3.31Å; Q1169-V1171 PolarHBondContact O-N 3Å; Q1169-Q1172 PolarHBondContact O-N 2.74Å; Q1169-Q1172 VanDerWaalsContact O-N 3.08Å; Q1169-Q1173 VanDerWaalsContact O-CB 3.3Å; Q1169-Q1173 WeakPolarHBondContact O-CB 3.4Å; Q1169-Q1173 WeakPolarHBondContact O-CG 3.33Å; Q1169-Q1173 PolarHBondContact O-N 2.75Å; Q1169-C1266 PolarHBondContact NE2-O 3.44Å |
| 1170 | V | 87.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56 | -48.3 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 109.9 | L1036 L1038 L1041 F1085 L1165 Y1166 G1167 Q1172 Q1173 A1174 | L1036-V1170 HydrophobicContact CD2-CG1 4.45Å; L1038-V1170 HydrophobicContact CD2-CB 4.27Å; L1038-V1170 HydrophobicContact CD2-CG1 4.23Å; L1041-V1170 HydrophobicContact CD1-CG1 4.05Å; F1085-V1170 HydrophobicContact CB-CG2 4Å; F1085-V1170 HydrophobicContact CD2-CG2 4.14Å; F1085-V1170 HydrophobicContact CG-CG2 4.17Å; L1165-V1170 HydrophobicContact CB-CG2 3.86Å; L1165-V1170 HydrophobicContact CD1-CG2 4.43Å; Y1166-V1170 PolarHBondContact O-N 3.09Å; G1167-V1170 WeakPolarHBondContact O-CB 3.36Å; G1167-V1170 PolarHBondContact O-N 3Å; V1170-Q1172 PolarHBondContact O-N 3.16Å; V1170-Q1173 PolarHBondContact O-N 2.69Å; V1170-A1174 HydrophobicContact CG1-CB 4.09Å; V1170-A1174 WeakPolarHBondContact O-CA 3.31Å; V1170-A1174 VanDerWaalsContact O-CB 3.25Å; V1170-A1174 WeakPolarHBondContact O-CB 2.97Å; V1170-A1174 PolarHBondContact O-N 3.49Å |
| 1171 | V | 83.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -23.7 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 113.3 | R1033 L1036 L1038 R1081 G1167 Q1169 | R1033-V1171 CarbonylContact C-O 3.59Å; R1033-V1171 WeakPolarHBondContact O-CG1 3.29Å; L1036-V1171 HydrophobicContact CB-CG1 4.26Å; L1036-V1171 HydrophobicContact CB-CG2 4.5Å; L1036-V1171 VanDerWaalsContact O-CG2 3.23Å; L1036-V1171 WeakPolarHBondContact O-CG2 3.18Å; L1038-V1171 HydrophobicContact CD1-CG2 4.2Å; L1038-V1171 HydrophobicContact CD2-CG2 3.59Å; L1038-V1171 HydrophobicContact CG-CG2 3.71Å; R1081-V1171 VanDerWaalsContact NH1-CG1 3.31Å; G1167-V1171 WeakPolarHBondContact O-CG2 3.32Å; G1167-V1171 PolarHBondContact O-N 3.12Å; G1167-V1171 VanDerWaalsContact O-N 3.14Å; Q1169-V1171 VanDerWaalsContact C-N 3.31Å; Q1169-V1171 PolarHBondContact O-N 3Å |
| 1172 | Q | 81.7 | Confident | 86.7 | Confident | 68 Ų | 68 | 37.3 Ų | 37.3 | 32% | 0.318 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -93.6 | -31.4 | 178.1 | -71.1 | 179.2 | -22.9 | 0 | 0 | 114 | W1168 Q1169 V1170 L1255 L1267 | W1168-Q1172 VanDerWaalsContact CE3-OE1 3.31Å; W1168-Q1172 VanDerWaalsContact CZ3-OE1 3.22Å; W1168-Q1172 WeakPolarHBondContact O-CG 3.48Å; W1168-Q1172 PolarHBondContact O-N 3.3Å; Q1169-Q1172 PolarHBondContact O-N 2.74Å; Q1169-Q1172 VanDerWaalsContact O-N 3.08Å; V1170-Q1172 PolarHBondContact O-N 3.16Å; Q1172-L1255 HydrophobicContact CB-CD2 4.37Å; Q1172-L1267 HydrophobicContact CB-CD2 4.13Å |
| 1173 | Q | 84.9 | Confident | 86.6 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -111.2 | -15.1 | -169.7 | -58 | -169.7 | 1.3 | 0 | 0 | 114.3 | I1050 L1165 Q1169 V1170 L1252 L1267 | I1050-Q1173 WeakPolarHBondContact CG1-O 3.36Å; I1050-Q1173 PolarHBondContact N-O 3.49Å; L1165-Q1173 HydrophobicContact CD1-CB 4.28Å; Q1169-Q1173 VanDerWaalsContact O-CB 3.3Å; Q1169-Q1173 WeakPolarHBondContact O-CB 3.4Å; Q1169-Q1173 WeakPolarHBondContact O-CG 3.33Å; Q1169-Q1173 PolarHBondContact O-N 2.75Å; V1170-Q1173 PolarHBondContact O-N 2.69Å; Q1173-L1252 HydrophobicContact CG-CD1 3.99Å; Q1173-L1267 HydrophobicContact CG-CD2 3.93Å; Q1173-L1267 VanDerWaalsContact NE2-CA 3.31Å; Q1173-L1267 VanDerWaalsContact NE2-CD2 3.28Å; Q1173-L1267 PolarHBondContact NE2-O 2.9Å |
| 1174 | A | 88.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 150.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1047 L1048 V1170 | V1047-A1174 HydrophobicContact CB-CB 4.32Å; L1048-A1174 WeakPolarHBondContact O-CA 3.33Å; V1170-A1174 HydrophobicContact CG1-CB 4.09Å; V1170-A1174 WeakPolarHBondContact O-CA 3.31Å; V1170-A1174 VanDerWaalsContact O-CB 3.25Å; V1170-A1174 WeakPolarHBondContact O-CB 2.97Å; V1170-A1174 PolarHBondContact O-N 3.49Å |
| 1175 | V | 87.9 | Confident | 86.1 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.2 | 172.9 | -179.3 | 0 | 0 | 0 | 0 | 107.1 | V1047 L1048 E1177 P1246 F1249 | V1047-V1175 CarbonylContact C-O 3.6Å; V1047-V1175 VanDerWaalsContact CA-O 3.31Å; V1047-V1175 WeakPolarHBondContact CA-O 3.36Å; L1048-V1175 PolarHBondContact N-O 3.23Å; L1048-V1175 PolarHBondContact O-N 3.36Å; V1175-E1177 PolarHBondContact O-N 2.9Å; V1175-P1246 HydrophobicContact CG1-CG 3.88Å; V1175-F1249 HydrophobicContact CG2-CE2 4.39Å |
| 1176 | L | 89.2 | Confident | 86.1 | Confident | 58 Ų | 58 | 49 Ų | 49 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 134.8 | 175.2 | -172 | 68.5 | 0 | 0 | 0 | 110.5 | T1045 V1178 | T1045-L1176 HydrophobicContact CG2-CD1 3.57Å; L1176-V1178 HydrophobicContact CD2-CG2 4.16Å; L1176-V1178 HydrophobicContact CG-CG2 4.23Å; L1176-V1178 PolarHBondContact O-N 3.09Å |
| 1177 | E | 90.7 | Very high | 86 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | trans | -79.3 | 108.9 | 176.3 | -173.5 | 177.7 | -163.6 | 0 | 0 | 110.4 | R1046 L1048 V1175 F1179 R1243 | R1046-E1177 HydrophobicContact CB-CB 3.95Å; R1046-E1177 IonicContact CZ-OE2 2.88Å; R1046-E1177 IonicContact NE-OE2 3.83Å; R1046-E1177 PolarHBondContact NE-OE2 2.95Å; R1046-E1177 IonicContact NH2-OE1 3.41Å; R1046-E1177 IonicContact NH2-OE2 2.72Å; R1046-E1177 PolarHBondContact NH2-OE2 3.34Å; R1046-E1177 PolarHBondContact O-N 3.12Å; L1048-E1177 HydrophobicContact CD2-CB 4.03Å; L1048-E1177 HydrophobicContact CD2-CG 3.76Å; L1048-E1177 HydrophobicContact CG-CB 3.96Å; L1048-E1177 HydrophobicContact CG-CG 4.09Å; V1175-E1177 PolarHBondContact O-N 2.9Å; E1177-F1179 HydrophobicContact CG-CD2 4.33Å; E1177-F1179 HydrophobicContact CG-CE2 3.86Å; E1177-R1243 HydrophobicContact CG-CG 4.34Å; E1177-R1243 IonicContact OE1-CZ 3.64Å; E1177-R1243 IonicContact OE1-NE 3.67Å; E1177-R1243 PolarHBondContact OE1-NE 3.31Å; E1177-R1243 IonicContact OE1-NH2 2.75Å | ||
| 1178 | V | 89.4 | Confident | 86 | Confident | 59 Ų | 59 | 50 Ų | 50 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -116.1 | 125.2 | 179.2 | -177 | 0 | 0 | 0 | 0 | 110.3 | L1176 R1243 I1244 | L1176-V1178 HydrophobicContact CD2-CG2 4.16Å; L1176-V1178 HydrophobicContact CG-CG2 4.23Å; L1176-V1178 PolarHBondContact O-N 3.09Å; V1178-R1243 CarbonylContact O-C 3.55Å; V1178-R1243 VanDerWaalsContact O-CA 3.29Å; V1178-R1243 WeakPolarHBondContact O-CA 3.5Å; V1178-I1244 HydrophobicContact CB-CB 4.35Å; V1178-I1244 HydrophobicContact CG1-CB 4.39Å; V1178-I1244 HydrophobicContact CG1-CD1 4.18Å; V1178-I1244 PolarHBondContact O-N 3.13Å |
| 1179 | F | 89.6 | Confident | 86.2 | Confident | 112 Ų | 112 | 49.4 Ų | 49.4 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | trans | -94.2 | 134.3 | 175.4 | -70.2 | -113 | 0 | 0 | 0 | 110 | E1177 A1181 R1243 | E1177-F1179 HydrophobicContact CG-CD2 4.33Å; E1177-F1179 HydrophobicContact CG-CE2 3.86Å; F1179-A1181 PolarHBondContact O-N 2.84Å; F1179-R1243 VanDerWaalsContact CE1-NH1 3.28Å; F1179-R1243 VanDerWaalsContact CE1-NH2 3.27Å; F1179-R1243 VanDerWaalsContact CZ-NE 3.27Å; F1179-R1243 VanDerWaalsContact CZ-NH2 3.31Å | ||
| 1180 | P | 88.2 | Confident | 86.3 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | trans | -72.1 | 121.3 | 173.1 | 30 | -32.9 | 0 | 0 | 0 | 110.6 | S1182 H1185 V1186 L1239 L1242 I1244 | P1180-S1182 VanDerWaalsContact C-N 3.3Å; P1180-S1182 PolarHBondContact O-N 3.2Å; P1180-H1185 HydrophobicContact CB-CB 4.41Å; P1180-V1186 HydrophobicContact CB-CG1 4.01Å; P1180-V1186 HydrophobicContact CB-CG2 4.14Å; P1180-V1186 HydrophobicContact CG-CG1 4.46Å; P1180-L1239 HydrophobicContact CB-CD1 3.9Å; P1180-L1239 HydrophobicContact CG-CD1 3.62Å; P1180-L1239 HydrophobicContact CG-CG 4.13Å; P1180-L1242 WeakPolarHBondContact CD-O 3.15Å; P1180-L1242 HydrophobicContact CG-CB 4.06Å; P1180-I1244 HydrophobicContact CB-CD1 4.12Å; P1180-I1244 HydrophobicContact CB-CG1 4.17Å | ||
| 1181 | A | 84.4 | Confident | 86.6 | Confident | 88 Ų | 88 | 50.7 Ų | 50.7 | 73% | 0.727 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -73.9 | -19.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | F1179 | F1179-A1181 PolarHBondContact O-N 2.84Š|
| 1182 | S | 82.1 | Confident | 87 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 28% | 0.28 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -162.6 | 163.6 | 175.1 | 67.9 | 0 | 0 | 0 | 0 | 109.8 | P1180 R1184 H1185 | P1180-S1182 VanDerWaalsContact C-N 3.3Å; P1180-S1182 PolarHBondContact O-N 3.2Å; S1182-R1184 PolarHBondContact O-N 2.78Å; S1182-H1185 PolarHBondContact N-ND1 3.24Å; S1182-H1185 WeakPolarHBondContact O-CB 3.43Å; S1182-H1185 PolarHBondContact O-N 3.33Å; S1182-H1185 PolarHBondContact O-ND1 3.22Å; S1182-H1185 PolarHBondContact OG-CE1 2.79Å; S1182-H1185 PolarHBondContact OG-ND1 2.73Å |
| 1183 | I | 81.1 | Confident | 87.5 | Confident | 79 Ų | 79 | 47.4 Ų | 47.4 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -53.6 | -27.4 | 176.5 | -114.8 | 164 | 0 | 0 | 0 | 113.2 | H1185 V1186 N1222 V1225 | I1183-H1185 PolarHBondContact O-N 2.67Å; I1183-V1186 CarbonylContact O-C 3.57Å; I1183-V1186 WeakPolarHBondContact O-CG2 3.11Å; I1183-V1186 PolarHBondContact O-N 2.85Å; I1183-V1186 VanDerWaalsContact O-N 3.14Å; I1183-N1222 WeakPolarHBondContact CD1-O 3.35Å; I1183-V1225 HydrophobicContact CD1-CG2 3.95Å; I1183-V1225 HydrophobicContact CG1-CG2 3.52Å |
| 1184 | R | 82.6 | Confident | 87.8 | Confident | 219 Ų | 219 | 47.2 Ų | 47.2 | 83% | 0.826 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -66.3 | -20.5 | 177.6 | -60.6 | -174.4 | -177.9 | -168.5 | 0.3 | 113.8 | S1182 V1186 | S1182-R1184 PolarHBondContact O-N 2.78Å; R1184-V1186 VanDerWaalsContact C-N 3.32Å |
| 1185 | H | 83.5 | Confident | 87.4 | Confident | 90 Ų | 90 | 48.4 Ų | 48.4 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -85.2 | -5.3 | 176.8 | -62.1 | 94.4 | 0 | 0 | 0 | 113.3 | P1180 S1182 I1183 P1187 | P1180-H1185 HydrophobicContact CB-CB 4.41Å; S1182-H1185 PolarHBondContact N-ND1 3.24Å; S1182-H1185 WeakPolarHBondContact O-CB 3.43Å; S1182-H1185 PolarHBondContact O-N 3.33Å; S1182-H1185 PolarHBondContact O-ND1 3.22Å; S1182-H1185 PolarHBondContact OG-CE1 2.79Å; S1182-H1185 PolarHBondContact OG-ND1 2.73Å; I1183-H1185 PolarHBondContact O-N 2.67Å; H1185-P1187 VanDerWaalsContact C-CD 3.46Å |
| 1186 | V | 87 | Confident | 86.3 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.03 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -130.2 | 66.3 | 179.6 | -87.7 | 0 | 0 | 0 | 0 | 110.3 | P1180 I1183 R1184 T1190 V1192 V1209 V1225 L1239 I1244 | P1180-V1186 HydrophobicContact CB-CG1 4.01Å; P1180-V1186 HydrophobicContact CB-CG2 4.14Å; P1180-V1186 HydrophobicContact CG-CG1 4.46Å; I1183-V1186 CarbonylContact O-C 3.57Å; I1183-V1186 WeakPolarHBondContact O-CG2 3.11Å; I1183-V1186 PolarHBondContact O-N 2.85Å; I1183-V1186 VanDerWaalsContact O-N 3.14Å; R1184-V1186 VanDerWaalsContact C-N 3.32Å; V1186-T1190 HydrophobicContact CG1-CG2 4.02Å; V1186-V1192 HydrophobicContact CG1-CG1 3.82Å; V1186-V1209 HydrophobicContact CB-CG2 4.22Å; V1186-V1225 HydrophobicContact CG2-CG2 4.35Å; V1186-L1239 HydrophobicContact CG2-CD1 3.95Å; V1186-I1244 HydrophobicContact CG1-CG1 4.17Å |
| 1187 | P | 87.1 | Confident | 85.1 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 29% | 0.292 | 29% | 0.286 | S | S | . | . | trans | -64.3 | 159.4 | 172.1 | 28 | -35.3 | 0 | 0 | 0 | 111.9 | H1185 G1189 T1190 | H1185-P1187 VanDerWaalsContact C-CD 3.46Å; P1187-G1189 PolarHBondContact O-N 3.3Å; P1187-T1190 VanDerWaalsContact CD-OG1 3.23Å; P1187-T1190 WeakPolarHBondContact CD-OG1 3.26Å; P1187-T1190 WeakPolarHBondContact CG-OG1 3.1Å; P1187-T1190 WeakPolarHBondContact O-CB 3.22Å; P1187-T1190 PolarHBondContact O-N 3.21Å; P1187-T1190 PolarHBondContact O-OG1 3.01Å | ||
| 1188 | P | 87.5 | Confident | 83.7 | Confident | 74 Ų | 74 | 60 Ų | 60 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 137.7 | 172.6 | -26.5 | 35.2 | 0 | 0 | 0 | 112.4 | V1209 K1211 | P1188-V1209 CarbonylContact C-O 3.54Å; P1188-V1209 WeakPolarHBondContact CA-O 3.33Å; P1188-K1211 HydrophobicContact CB-CG 3.85Å; P1188-K1211 HydrophobicContact CG-CG 3.76Å |
| 1189 | G | 87.4 | Confident | 82.3 | Confident | 53 Ų | 53 | 65 Ų | 65 | 55% | 0.546 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -9.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1187 R1191 V1209 | P1187-G1189 PolarHBondContact O-N 3.3Å; G1189-R1191 PolarHBondContact O-N 3.26Å; G1189-V1209 PolarHBondContact N-O 3.42Å |
| 1190 | T | 89.7 | Confident | 80.8 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | trans | -70.1 | 131.5 | 179 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | V1186 P1187 V1192 T1208 V1209 | V1186-T1190 HydrophobicContact CG1-CG2 4.02Å; P1187-T1190 VanDerWaalsContact CD-OG1 3.23Å; P1187-T1190 WeakPolarHBondContact CD-OG1 3.26Å; P1187-T1190 WeakPolarHBondContact CG-OG1 3.1Å; P1187-T1190 WeakPolarHBondContact O-CB 3.22Å; P1187-T1190 PolarHBondContact O-N 3.21Å; P1187-T1190 PolarHBondContact O-OG1 3.01Å; T1190-V1192 HydrophobicContact CG2-CG1 4.23Å; T1190-T1208 WeakPolarHBondContact O-CA 3.33Å; T1190-V1209 PolarHBondContact O-N 3.4Å | ||
| 1191 | R | 92.2 | Very high | 79.7 | Confident | 31 Ų | 31 | 65.2 Ų | 65.2 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 131.2 | 172.4 | -64.9 | -67.8 | -75.5 | 155.8 | -4.5 | 110.6 | G1189 G1207 T1208 D1230 L1245 F1249 | G1189-R1191 PolarHBondContact O-N 3.26Å; R1191-G1207 VanDerWaalsContact NH1-C 3.26Å; R1191-G1207 PolarHBondContact NH1-O 3.5Å; R1191-G1207 VanDerWaalsContact NH1-O 3.12Å; R1191-T1208 PolarHBondContact NH1-OG1 2.75Å; R1191-D1230 IonicContact CZ-OD1 2.7Å; R1191-D1230 IonicContact CZ-OD2 3.97Å; R1191-D1230 IonicContact NH1-OD1 3.55Å; R1191-D1230 PolarHBondContact NH1-OD1 3.06Å; R1191-D1230 IonicContact NH1-OD2 3.73Å; R1191-D1230 IonicContact NH2-OD1 3.75Å; R1191-D1230 PolarHBondContact NH2-OD1 2.71Å; R1191-D1230 IonicContact NH2-OD2 3.25Å; R1191-D1230 PolarHBondContact NH2-OD2 3.45Å; R1191-L1245 HydrophobicContact CB-CB 4.12Å; R1191-L1245 PolarHBondContact O-N 2.91Å; R1191-F1249 PolarHBondContact NH2-O 2.82Å |
| 1192 | V | 92.8 | Very high | 79.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 166.3 | -175.1 | -68.3 | 0 | 0 | 0 | 0 | 110.5 | V1186 T1190 P1206 G1207 V1209 V1227 L1242 R1243 L1245 | V1186-V1192 HydrophobicContact CG1-CG1 3.82Å; T1190-V1192 HydrophobicContact CG2-CG1 4.23Å; V1192-P1206 WeakPolarHBondContact O-CA 3.35Å; V1192-G1207 PolarHBondContact N-O 3.44Å; V1192-G1207 PolarHBondContact O-N 3.23Å; V1192-G1207 VanDerWaalsContact O-O 3.06Å; V1192-V1209 HydrophobicContact CG1-CG2 3.81Å; V1192-V1209 HydrophobicContact CG2-CG2 3.97Å; V1192-V1227 HydrophobicContact CG2-CG1 3.72Å; V1192-V1227 HydrophobicContact CG2-CG2 3.95Å; V1192-L1242 HydrophobicContact CB-CD2 3.96Å; V1192-L1242 HydrophobicContact CG1-CD2 4.44Å; V1192-L1242 HydrophobicContact CG2-CD2 3.95Å; V1192-R1243 CarbonylContact C-O 3.58Å; V1192-R1243 WeakPolarHBondContact CA-O 3.12Å; V1192-R1243 WeakPolarHBondContact CB-O 3.49Å; V1192-L1245 WeakPolarHBondContact O-CD1 3.36Å |
| 1193 | C | 91.7 | Very high | 79.4 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.2 | 160.3 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | L1055 L1204 Y1205 L1242 R1243 L1245 | L1055-C1193 HydrophobicContact CD1-CB 4.02Å; C1193-L1204 HydrophobicContact CB-CB 4.09Å; C1193-Y1205 WeakPolarHBondContact CA-O 3.17Å; C1193-Y1205 WeakPolarHBondContact CB-O 3.5Å; C1193-L1242 CarbonylContact O-C 3.41Å; C1193-R1243 PolarHBondContact N-O 2.67Å; C1193-R1243 PolarHBondContact O-N 3.18Å; C1193-L1245 HydrophobicContact CB-CD1 3.78Å; C1193-L1245 HydrophobicContact CB-CG 4.2Å |
| 1194 | A | 90.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 160.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1204 Y1205 F1229 V1237 L1242 | A1194-L1204 CarbonylContact O-C 3.59Å; A1194-L1204 WeakPolarHBondContact O-CA 3.37Å; A1194-Y1205 PolarHBondContact N-O 2.97Å; A1194-Y1205 VanDerWaalsContact N-O 3.11Å; A1194-Y1205 PolarHBondContact O-N 2.98Å; A1194-F1229 HydrophobicContact CB-CE1 4.04Å; A1194-F1229 HydrophobicContact CB-CZ 3.95Å; A1194-V1237 HydrophobicContact CB-CB 4.47Å; A1194-V1237 HydrophobicContact CB-CG1 3.65Å; A1194-V1237 HydrophobicContact CB-CG2 4.16Å; A1194-L1242 HydrophobicContact CB-CD2 3.91Å |
| 1195 | A | 81.9 | Confident | 80.3 | Confident | 27 Ų | 27 | 50 Ų | 50 | 22% | 0.223 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 137.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1204 | A1195-L1204 HydrophobicContact CB-CD2 4.19Å |
| 1196 | W | 64 | Low | 80.7 | Confident | 112 Ų | 112 | 46.3 Ų | 46.3 | 42% | 0.424 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -78.7 | -21.4 | 179.2 | -176 | 66.8 | 0 | 0 | 0 | 113.8 | L1200 Y1205 D1233 | W1196-L1200 HydrophobicContact CE3-CD1 4.39Å; W1196-L1200 HydrophobicContact CZ3-CD1 4.46Å; W1196-Y1205 HydrophobicContact CB-CD2 3.63Å; W1196-Y1205 HydrophobicContact CB-CE2 3.6Å; W1196-Y1205 HydrophobicContact CB-CG 4.35Å; W1196-D1233 PolarHBondContact NE1-OD2 2.75Å |
| 1197 | S | 63.6 | Low | 80.9 | Confident | 35 Ų | 35 | 46 Ų | 46 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | trans | -158.3 | 139.3 | 179.3 | 170.3 | 0 | 0 | 0 | 0 | 111 | Q1199 L1200 G1201 | S1197-Q1199 VanDerWaalsContact C-N 3.27Å; S1197-Q1199 PolarHBondContact O-N 2.88Å; S1197-Q1199 PolarHBondContact OG-N 2.87Å; S1197-L1200 CarbonylContact O-C 3.45Å; S1197-L1200 VanDerWaalsContact O-C 3.26Å; S1197-L1200 WeakPolarHBondContact O-CA 3.02Å; S1197-L1200 PolarHBondContact O-N 2.77Å; S1197-G1201 WeakPolarHBondContact O-CA 3.45Å; S1197-G1201 PolarHBondContact O-N 2.94Å | ||
| 1198 | E | 61.5 | Low | 81.2 | Confident | 181 Ų | 181 | 45.9 Ų | 45.9 | 85% | 0.846 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -56.1 | -37.9 | 173.4 | -65.3 | -175.7 | 170.3 | 0 | 0 | 112.8 | L1200 G1201 | E1198-L1200 PolarHBondContact O-N 2.63Å; E1198-G1201 PolarHBondContact O-N 3.06Å |
| 1199 | Q | 60.7 | Low | 81.4 | Confident | 163 Ų | 163 | 42.6 Ų | 42.6 | 76% | 0.762 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -68.7 | -17.1 | 176.5 | -77.8 | 103.1 | 24.9 | 0 | 0 | 113.4 | S1197 | S1197-Q1199 VanDerWaalsContact C-N 3.27Å; S1197-Q1199 PolarHBondContact O-N 2.88Å; S1197-Q1199 PolarHBondContact OG-N 2.87Å |
| 1200 | L | 57.6 | Low | 81.4 | Confident | 83 Ų | 83 | 42.3 Ų | 42.3 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -119.3 | 19.4 | 179 | -60.5 | 177.7 | 0 | 0 | 0 | 112.2 | W1196 S1197 E1198 V1202 N1203 | W1196-L1200 HydrophobicContact CE3-CD1 4.39Å; W1196-L1200 HydrophobicContact CZ3-CD1 4.46Å; S1197-L1200 CarbonylContact O-C 3.45Å; S1197-L1200 VanDerWaalsContact O-C 3.26Å; S1197-L1200 WeakPolarHBondContact O-CA 3.02Å; S1197-L1200 PolarHBondContact O-N 2.77Å; E1198-L1200 PolarHBondContact O-N 2.63Å; L1200-V1202 PolarHBondContact O-N 3.19Å; L1200-N1203 PolarHBondContact O-N 2.84Å; L1200-N1203 VanDerWaalsContact O-N 3.13Å |
| 1201 | G | 64.7 | Low | 80.9 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 11.9 | -164 | 0 | 0 | 0 | 0 | 0 | 118.3 | S1197 E1198 | S1197-G1201 WeakPolarHBondContact O-CA 3.45Å; S1197-G1201 PolarHBondContact O-N 2.94Å; E1198-G1201 PolarHBondContact O-N 3.06Å |
| 1202 | V | 75 | Confident | 79.9 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -27.2 | 172.7 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | R1056 D1090 E1092 L1200 | R1056-V1202 HydrophobicContact CG-CG1 3.73Å; R1056-V1202 VanDerWaalsContact NE-CG1 3.26Å; D1090-V1202 VanDerWaalsContact O-CG1 3.26Å; D1090-V1202 WeakPolarHBondContact O-CG1 3.4Å; E1092-V1202 VanDerWaalsContact CA-CG2 3.46Å; E1092-V1202 HydrophobicContact CB-CG2 4.2Å; E1092-V1202 HydrophobicContact CG-CG2 3.75Å; L1200-V1202 PolarHBondContact O-N 3.19Å |
| 1203 | N | 86.5 | Confident | 78.5 | Confident | 37 Ų | 37 | 54.3 Ų | 54.3 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 117.1 | -177.2 | -66.8 | -0.7 | 0 | 0 | 0 | 109.6 | Y1054 L1200 Y1205 | Y1054-N1203 HydrophobicContact CD2-CB 3.7Å; Y1054-N1203 HydrophobicContact CE2-CB 4.32Å; Y1054-N1203 VanDerWaalsContact CE2-CG 3.49Å; Y1054-N1203 WeakPolarHBondContact CE2-OD1 3.29Å; Y1054-N1203 HydrophobicContact CG-CB 4.1Å; L1200-N1203 PolarHBondContact O-N 2.84Å; L1200-N1203 VanDerWaalsContact O-N 3.13Å; N1203-Y1205 HydrophobicContact CB-CE2 3.95Å; N1203-Y1205 WeakPolarHBondContact O-CD2 3.49Å; N1203-Y1205 WeakPolarHBondContact O-CE2 3.19Å |
| 1204 | L | 89.9 | Confident | 77 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.2 | 176.9 | -54.4 | 175.4 | 0 | 0 | 0 | 109.8 | L1048 Y1054 L1055 C1193 A1194 A1195 R1243 | L1048-L1204 HydrophobicContact CD1-CD1 4.38Å; L1048-L1204 HydrophobicContact CD2-CD1 3.82Å; Y1054-L1204 CarbonylContact C-O 3.56Å; Y1054-L1204 VanDerWaalsContact CA-O 3.32Å; Y1054-L1204 WeakPolarHBondContact CA-O 3.35Å; Y1054-L1204 WeakPolarHBondContact CB-O 3.43Å; L1055-L1204 HydrophobicContact CB-CB 4.35Å; L1055-L1204 PolarHBondContact N-O 2.93Å; L1055-L1204 PolarHBondContact O-N 2.9Å; C1193-L1204 HydrophobicContact CB-CB 4.09Å; A1194-L1204 CarbonylContact O-C 3.59Å; A1194-L1204 WeakPolarHBondContact O-CA 3.37Å; A1195-L1204 HydrophobicContact CB-CD2 4.19Å; L1204-R1243 HydrophobicContact CD1-CG 3.87Å |
| 1205 | Y | 90.9 | Very high | 75.3 | Confident | 38 Ų | 38 | 65 Ų | 65 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.3 | -177.9 | -67.4 | -101.8 | 0 | 0 | 0 | 109 | C1193 A1194 W1196 N1203 F1229 | C1193-Y1205 WeakPolarHBondContact CA-O 3.17Å; C1193-Y1205 WeakPolarHBondContact CB-O 3.5Å; A1194-Y1205 PolarHBondContact N-O 2.97Å; A1194-Y1205 VanDerWaalsContact N-O 3.11Å; A1194-Y1205 PolarHBondContact O-N 2.98Å; W1196-Y1205 HydrophobicContact CB-CD2 3.63Å; W1196-Y1205 HydrophobicContact CB-CE2 3.6Å; W1196-Y1205 HydrophobicContact CB-CG 4.35Å; N1203-Y1205 HydrophobicContact CB-CE2 3.95Å; N1203-Y1205 WeakPolarHBondContact O-CD2 3.49Å; N1203-Y1205 WeakPolarHBondContact O-CE2 3.19Å; Y1205-F1229 WeakPolarHBondContact O-CE1 3.32Å |
| 1206 | P | 92.2 | Very high | 74.1 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 8% | 0.078 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 148.8 | -179.6 | 32.1 | -35.7 | 0 | 0 | 0 | 111.7 | L1055 V1192 D1230 L1245 F1249 | L1055-P1206 HydrophobicContact CD1-CB 4.45Å; V1192-P1206 WeakPolarHBondContact O-CA 3.35Å; P1206-D1230 WeakPolarHBondContact CB-OD2 3.41Å; P1206-D1230 HydrophobicContact CG-CB 4.31Å; P1206-D1230 WeakPolarHBondContact CG-OD2 3.43Å; P1206-D1230 PolarHBondContact O-N 3.3Å; P1206-L1245 HydrophobicContact CB-CD1 3.99Å; P1206-F1249 HydrophobicContact CB-CD1 4.04Å; P1206-F1249 HydrophobicContact CB-CE1 3.77Å; P1206-F1249 HydrophobicContact CG-CE1 4.1Å |
| 1207 | G | 91.9 | Very high | 73.6 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | -174.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1191 V1192 D1228 | R1191-G1207 VanDerWaalsContact NH1-C 3.26Å; R1191-G1207 PolarHBondContact NH1-O 3.5Å; R1191-G1207 VanDerWaalsContact NH1-O 3.12Å; V1192-G1207 PolarHBondContact N-O 3.44Å; V1192-G1207 PolarHBondContact O-N 3.23Å; V1192-G1207 VanDerWaalsContact O-O 3.06Å; G1207-D1228 CarbonylContact C-O 3.47Å; G1207-D1228 WeakPolarHBondContact CA-O 3.45Å |
| 1208 | T | 93 | Very high | 72.8 | Confident | 41 Ų | 41 | 73 Ų | 73 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 134.7 | -175.4 | -46.8 | 0 | 0 | 0 | 0 | 109.7 | T1190 R1191 V1227 D1228 | T1190-T1208 WeakPolarHBondContact O-CA 3.33Å; R1191-T1208 PolarHBondContact NH1-OG1 2.75Å; T1208-V1227 WeakPolarHBondContact O-CA 3.27Å; T1208-D1228 PolarHBondContact N-O 3.42Å; T1208-D1228 PolarHBondContact O-N 3.17Å |
| 1209 | V | 91.3 | Very high | 72.5 | Confident | 5 Ų | 5 | 72.2 Ų | 72.2 | 3% | 0.03 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 132.9 | 174.8 | 179 | 0 | 0 | 0 | 0 | 109.9 | V1186 P1188 G1189 T1190 V1192 V1225 P1226 V1227 | V1186-V1209 HydrophobicContact CB-CG2 4.22Å; P1188-V1209 CarbonylContact C-O 3.54Å; P1188-V1209 WeakPolarHBondContact CA-O 3.33Å; G1189-V1209 PolarHBondContact N-O 3.42Å; T1190-V1209 PolarHBondContact O-N 3.4Å; V1192-V1209 HydrophobicContact CG1-CG2 3.81Å; V1192-V1209 HydrophobicContact CG2-CG2 3.97Å; V1209-V1225 HydrophobicContact CB-CG1 4.31Å; V1209-V1225 HydrophobicContact CG1-CG1 3.49Å; V1209-V1225 VanDerWaalsContact CG1-CG1 3.49Å; V1209-V1225 HydrophobicContact CG2-CG1 3.9Å; V1209-P1226 WeakPolarHBondContact CA-O 3.17Å; V1209-V1227 HydrophobicContact CG2-CG2 4.33Å |
| 1210 | V | 88.1 | Confident | 72.3 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 29% | 0.285 | 35% | 0.348 | S | S | . | . | trans | -110.6 | 167.4 | -179.9 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | P1226 D1228 | V1210-P1226 PolarHBondContact N-O 3.02Å; V1210-P1226 WeakPolarHBondContact O-CG 3.48Å; V1210-D1228 HydrophobicContact CG2-CB 3.87Å; V1210-D1228 VanDerWaalsContact CG2-CG 3.46Å; V1210-D1228 WeakPolarHBondContact CG2-OD2 3.43Å | ||
| 1211 | K | 79.9 | Confident | 72.4 | Confident | 161 Ų | 161 | 67.8 Ų | 67.8 | 70% | 0.7 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 126.3 | 163.5 | -66 | 178.4 | -177.7 | 177.5 | 0 | 107.2 | P1188 | P1188-K1211 HydrophobicContact CB-CG 3.85Å; P1188-K1211 HydrophobicContact CG-CG 3.76Å |
| 1212 | A | 70.3 | Confident | 72.3 | Confident | 18 Ų | 18 | 72.7 Ų | 72.7 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 141.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q1217 I1220 P1226 | A1212-Q1217 PolarHBondContact O-NE2 2.65Å; A1212-I1220 HydrophobicContact CB-CD1 3.3Å; A1212-P1226 HydrophobicContact CB-CB 4.36Å; A1212-P1226 HydrophobicContact CB-CG 3.8Å |
| 1213 | D | 64.3 | Low | 72.3 | Confident | 106 Ų | 106 | 77.3 Ų | 77.3 | 57% | 0.567 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -70 | 152.2 | 174.6 | -74.8 | -39.6 | 0 | 0 | 0 | 111.4 | D1215 E1216 Q1217 | D1213-D1215 PolarHBondContact O-N 3.43Å; D1213-E1216 HydrophobicContact CB-CG 4.48Å; D1213-E1216 PolarHBondContact O-N 3.04Å; D1213-Q1217 PolarHBondContact O-N 3.39Å |
| 1214 | P | 58.5 | Low | 72.1 | Confident | 87 Ų | 87 | 76.4 Ų | 76.4 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.9 | -28.6 | 179.6 | 23.6 | -34.2 | 0 | 0 | 0 | 113.5 | ||
| 1215 | D | 56.2 | Low | 71.9 | Confident | 138 Ų | 138 | 76.1 Ų | 76.1 | 74% | 0.738 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -71.8 | -34.3 | 174.9 | -66 | -23.7 | 0 | 0 | 0 | 111.7 | D1213 | D1213-D1215 PolarHBondContact O-N 3.43Å |
| 1216 | E | 55.2 | Low | 71.9 | Confident | 66 Ų | 66 | 75 Ų | 75 | 31% | 0.308 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -76.9 | -32.3 | 175.6 | -67 | -153.6 | 171.5 | 0 | 0 | 112.9 | D1213 Q1218 H1219 I1220 Q1236 | D1213-E1216 HydrophobicContact CB-CG 4.48Å; D1213-E1216 PolarHBondContact O-N 3.04Å; E1216-Q1218 PolarHBondContact O-N 3.48Å; E1216-H1219 PolarHBondContact O-N 2.65Å; E1216-I1220 HydrophobicContact CB-CD1 4.44Å; E1216-I1220 WeakPolarHBondContact O-CG1 3.43Å; E1216-I1220 PolarHBondContact O-N 3.31Å; E1216-Q1236 PolarHBondContact OE2-NE2 2.85Å |
| 1217 | Q | 53.5 | Low | 71.8 | Confident | 106 Ų | 106 | 74.4 Ų | 74.4 | 50% | 0.495 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -53.3 | -26.9 | -180 | -105.7 | 112.6 | 51.8 | 0 | 0 | 113.9 | A1212 D1213 H1219 I1220 | A1212-Q1217 PolarHBondContact O-NE2 2.65Å; D1213-Q1217 PolarHBondContact O-N 3.39Å; Q1217-H1219 PolarHBondContact O-N 3.25Å; Q1217-I1220 HydrophobicContact CG-CD1 4.49Å |
| 1218 | Q | 48 | Very low | 71.8 | Confident | 171 Ų | 171 | 77.8 Ų | 77.8 | 80% | 0.799 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -16.2 | 177.6 | -59.2 | -175 | 28.9 | 0 | 0 | 113.7 | E1216 | E1216-Q1218 PolarHBondContact O-N 3.48Š|
| 1219 | H | 53.7 | Low | 71.7 | Confident | 163 Ų | 163 | 76.2 Ų | 76.2 | 76% | 0.755 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124 | 1.6 | -174.8 | -137.4 | -58.7 | 0 | 0 | 0 | 114.3 | E1216 Q1217 N1221 | E1216-H1219 PolarHBondContact O-N 2.65Å; Q1217-H1219 PolarHBondContact O-N 3.25Å; H1219-N1221 PolarHBondContact O-N 3.05Å |
| 1220 | I | 56.5 | Low | 71.5 | Confident | 35 Ų | 35 | 80 Ų | 80 | 18% | 0.179 | 41% | 0.414 | C | S | . | . | trans | -73.7 | 120.4 | 176.2 | -72 | 171.1 | 0 | 0 | 0 | 109.9 | A1212 E1216 Q1217 | A1212-I1220 HydrophobicContact CB-CD1 3.3Å; E1216-I1220 HydrophobicContact CB-CD1 4.44Å; E1216-I1220 WeakPolarHBondContact O-CG1 3.43Å; E1216-I1220 PolarHBondContact O-N 3.31Å; Q1217-I1220 HydrophobicContact CG-CD1 4.49Å | ||
| 1221 | N | 60.7 | Low | 71.3 | Confident | 118 Ų | 118 | 81.4 Ų | 81.4 | 63% | 0.631 | 42% | 0.42 | S | S | * | . | trans | -64 | 134 | 161.6 | -62.4 | -45.4 | 0 | 0 | 0 | 108.3 | H1219 D1223 C1224 | H1219-N1221 PolarHBondContact O-N 3.05Å; N1221-D1223 PolarHBondContact O-N 3.26Å; N1221-C1224 WeakPolarHBondContact O-CB 3.36Å; N1221-C1224 PolarHBondContact O-N 2.96Å | ||
| 1222 | N | 63.6 | Low | 71.4 | Confident | 145 Ų | 145 | 77.1 Ų | 77.1 | 78% | 0.775 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -14.4 | -173.2 | -68.5 | -18.4 | 0 | 0 | 0 | 116 | I1183 | I1183-N1222 WeakPolarHBondContact CD1-O 3.35Š|
| 1223 | D | 73.5 | Confident | 72.1 | Confident | 119 Ų | 119 | 79 Ų | 79 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 5.7 | 179.8 | -56.4 | -46 | 0 | 0 | 0 | 113.8 | N1221 L1239 | N1221-D1223 PolarHBondContact O-N 3.26Å; D1223-L1239 PolarHBondContact O-N 2.93Å |
| 1224 | C | 83.4 | Confident | 73.1 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 12% | 0.122 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 143.1 | 177.1 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | N1221 Q1236 V1237 | N1221-C1224 WeakPolarHBondContact O-CB 3.36Å; N1221-C1224 PolarHBondContact O-N 2.96Å; C1224-Q1236 HydrophobicContact CB-CB 4.28Å; C1224-V1237 WeakPolarHBondContact CA-O 3.45Å |
| 1225 | V | 85.7 | Confident | 74.3 | Confident | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.03 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.7 | 178.7 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | I1183 V1186 V1209 V1227 Q1236 V1237 L1239 L1242 | I1183-V1225 HydrophobicContact CD1-CG2 3.95Å; I1183-V1225 HydrophobicContact CG1-CG2 3.52Å; V1186-V1225 HydrophobicContact CG2-CG2 4.35Å; V1209-V1225 HydrophobicContact CB-CG1 4.31Å; V1209-V1225 HydrophobicContact CG1-CG1 3.49Å; V1209-V1225 VanDerWaalsContact CG1-CG1 3.49Å; V1209-V1225 HydrophobicContact CG2-CG1 3.9Å; V1225-V1227 HydrophobicContact CG1-CG2 4.32Å; V1225-Q1236 WeakPolarHBondContact O-CA 3.49Å; V1225-V1237 PolarHBondContact N-O 2.63Å; V1225-V1237 PolarHBondContact O-N 2.92Å; V1225-L1239 HydrophobicContact CG2-CD1 4.32Å; V1225-L1242 HydrophobicContact CB-CD1 3.79Å; V1225-L1242 HydrophobicContact CG1-CD1 4.43Å; V1225-L1242 HydrophobicContact CG2-CD1 3.94Å |
| 1226 | P | 90 | Very high | 75.7 | Confident | 13 Ų | 13 | 75.2 Ų | 75.2 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 129.5 | 173.1 | 32 | -38 | 0 | 0 | 0 | 111.2 | V1209 V1210 A1212 | V1209-P1226 WeakPolarHBondContact CA-O 3.17Å; V1210-P1226 PolarHBondContact N-O 3.02Å; V1210-P1226 WeakPolarHBondContact O-CG 3.48Å; A1212-P1226 HydrophobicContact CB-CB 4.36Å; A1212-P1226 HydrophobicContact CB-CG 3.8Å |
| 1227 | V | 90.5 | Very high | 77.2 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 127.5 | -176.4 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | V1192 T1208 V1209 V1225 R1235 V1237 L1242 | V1192-V1227 HydrophobicContact CG2-CG1 3.72Å; V1192-V1227 HydrophobicContact CG2-CG2 3.95Å; T1208-V1227 WeakPolarHBondContact O-CA 3.27Å; V1209-V1227 HydrophobicContact CG2-CG2 4.33Å; V1225-V1227 HydrophobicContact CG1-CG2 4.32Å; V1227-R1235 PolarHBondContact N-O 2.72Å; V1227-R1235 PolarHBondContact O-N 2.92Å; V1227-V1237 HydrophobicContact CB-CG2 4.37Å; V1227-V1237 HydrophobicContact CG2-CG2 4.34Å; V1227-L1242 HydrophobicContact CG2-CD2 4.01Å |
| 1228 | D | 91.3 | Very high | 78.8 | Confident | 72 Ų | 72 | 70.1 Ų | 70.1 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 119.1 | 164.2 | -79.9 | -4.3 | 0 | 0 | 0 | 109 | G1207 T1208 V1210 H1234 | G1207-D1228 CarbonylContact C-O 3.47Å; G1207-D1228 WeakPolarHBondContact CA-O 3.45Å; T1208-D1228 PolarHBondContact N-O 3.42Å; T1208-D1228 PolarHBondContact O-N 3.17Å; V1210-D1228 HydrophobicContact CG2-CB 3.87Å; V1210-D1228 VanDerWaalsContact CG2-CG 3.46Å; V1210-D1228 WeakPolarHBondContact CG2-OD2 3.43Å; D1228-H1234 IonicContact OD1-CE1 3.73Å; D1228-H1234 IonicContact OD1-CG 2.76Å; D1228-H1234 IonicContact OD1-ND1 2.68Å; D1228-H1234 PolarHBondContact OD1-ND1 2.88Å |
| 1229 | F | 91.3 | Very high | 80.5 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 151 | 172.6 | -68.2 | -84.1 | 0 | 0 | 0 | 111.5 | A1194 Y1205 D1231 G1232 D1233 R1235 V1237 | A1194-F1229 HydrophobicContact CB-CE1 4.04Å; A1194-F1229 HydrophobicContact CB-CZ 3.95Å; Y1205-F1229 WeakPolarHBondContact O-CE1 3.32Å; F1229-D1231 VanDerWaalsContact CB-OD1 3.3Å; F1229-D1231 WeakPolarHBondContact CB-OD1 3.39Å; F1229-D1231 PolarHBondContact O-N 3.31Å; F1229-G1232 PolarHBondContact O-N 3.37Å; F1229-D1233 HydrophobicContact CB-CB 4.38Å; F1229-D1233 HydrophobicContact CD2-CB 4.22Å; F1229-D1233 WeakPolarHBondContact CD2-O 3.46Å; F1229-D1233 PolarHBondContact N-O 3.42Å; F1229-R1235 HydrophobicContact CE2-CB 4.07Å; F1229-R1235 HydrophobicContact CE2-CG 4.05Å; F1229-V1237 HydrophobicContact CE2-CG2 4.43Å; F1229-V1237 HydrophobicContact CZ-CG2 4.16Å |
| 1230 | D | 87.9 | Confident | 81.9 | Confident | 86 Ų | 86 | 60.3 Ų | 60.3 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -7.6 | -176.7 | -67.6 | -8.3 | 0 | 0 | 0 | 114.2 | R1191 P1206 | R1191-D1230 IonicContact CZ-OD1 2.7Å; R1191-D1230 IonicContact CZ-OD2 3.97Å; R1191-D1230 IonicContact NH1-OD1 3.55Å; R1191-D1230 PolarHBondContact NH1-OD1 3.06Å; R1191-D1230 IonicContact NH1-OD2 3.73Å; R1191-D1230 IonicContact NH2-OD1 3.75Å; R1191-D1230 PolarHBondContact NH2-OD1 2.71Å; R1191-D1230 IonicContact NH2-OD2 3.25Å; R1191-D1230 PolarHBondContact NH2-OD2 3.45Å; P1206-D1230 WeakPolarHBondContact CB-OD2 3.41Å; P1206-D1230 HydrophobicContact CG-CB 4.31Å; P1206-D1230 WeakPolarHBondContact CG-OD2 3.43Å; P1206-D1230 PolarHBondContact O-N 3.3Å |
| 1231 | D | 84 | Confident | 83.3 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -4.8 | 172.7 | 56.9 | 9.5 | 0 | 0 | 0 | 114.4 | F1229 D1233 | F1229-D1231 VanDerWaalsContact CB-OD1 3.3Å; F1229-D1231 WeakPolarHBondContact CB-OD1 3.39Å; F1229-D1231 PolarHBondContact O-N 3.31Å; D1231-D1233 PolarHBondContact OD1-N 2.74Å |
| 1232 | G | 81.7 | Confident | 84.7 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 72% | 0.722 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 99.3 | 4.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F1229 | F1229-G1232 PolarHBondContact O-N 3.37Š|
| 1233 | D | 85.5 | Confident | 86 | Confident | 57 Ų | 57 | 51.2 Ų | 51.2 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | trans | -76.3 | 133.2 | 169.7 | -92.2 | 20.2 | 0 | 0 | 0 | 110.2 | W1196 F1229 D1231 R1235 | W1196-D1233 PolarHBondContact NE1-OD2 2.75Å; F1229-D1233 HydrophobicContact CB-CB 4.38Å; F1229-D1233 HydrophobicContact CD2-CB 4.22Å; F1229-D1233 WeakPolarHBondContact CD2-O 3.46Å; F1229-D1233 PolarHBondContact N-O 3.42Å; D1231-D1233 PolarHBondContact OD1-N 2.74Å; D1233-R1235 IonicContact OD2-CZ 2.74Å; D1233-R1235 IonicContact OD2-NE 3.72Å; D1233-R1235 IonicContact OD2-NH2 3.67Å; D1233-R1235 PolarHBondContact OD2-NH2 2.73Å | ||
| 1234 | H | 84.6 | Confident | 86.9 | Confident | 80 Ų | 80 | 46.5 Ų | 46.5 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 134.7 | 167.5 | -177.5 | 88 | 0 | 0 | 0 | 110.7 | D1228 | D1228-H1234 IonicContact OD1-CE1 3.73Å; D1228-H1234 IonicContact OD1-CG 2.76Å; D1228-H1234 IonicContact OD1-ND1 2.68Å; D1228-H1234 PolarHBondContact OD1-ND1 2.88Å |
| 1235 | R | 83.2 | Confident | 87.2 | Confident | 105 Ų | 105 | 45.8 Ų | 45.8 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 151.2 | 173.6 | -56.3 | -177.6 | 179.5 | -110.9 | -8 | 113.5 | V1227 F1229 D1233 V1237 | V1227-R1235 PolarHBondContact N-O 2.72Å; V1227-R1235 PolarHBondContact O-N 2.92Å; F1229-R1235 HydrophobicContact CE2-CB 4.07Å; F1229-R1235 HydrophobicContact CE2-CG 4.05Å; D1233-R1235 IonicContact OD2-CZ 2.74Å; D1233-R1235 IonicContact OD2-NE 3.72Å; D1233-R1235 IonicContact OD2-NH2 3.67Å; D1233-R1235 PolarHBondContact OD2-NH2 2.73Å; R1235-V1237 HydrophobicContact CB-CG2 4.33Å |
| 1236 | Q | 85.7 | Confident | 87.2 | Confident | 68 Ų | 68 | 46.4 Ų | 46.4 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.5 | 161.3 | -62 | 179.7 | 12.8 | 0 | 0 | 109.6 | E1216 C1224 V1225 | E1216-Q1236 PolarHBondContact OE2-NE2 2.85Å; C1224-Q1236 HydrophobicContact CB-CB 4.28Å; V1225-Q1236 WeakPolarHBondContact O-CA 3.49Å |
| 1237 | V | 87.2 | Confident | 86.7 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.8 | -175.9 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | A1194 C1224 V1225 V1227 F1229 R1235 D1241 L1242 | A1194-V1237 HydrophobicContact CB-CB 4.47Å; A1194-V1237 HydrophobicContact CB-CG1 3.65Å; A1194-V1237 HydrophobicContact CB-CG2 4.16Å; C1224-V1237 WeakPolarHBondContact CA-O 3.45Å; V1225-V1237 PolarHBondContact N-O 2.63Å; V1225-V1237 PolarHBondContact O-N 2.92Å; V1227-V1237 HydrophobicContact CB-CG2 4.37Å; V1227-V1237 HydrophobicContact CG2-CG2 4.34Å; F1229-V1237 HydrophobicContact CE2-CG2 4.43Å; F1229-V1237 HydrophobicContact CZ-CG2 4.16Å; R1235-V1237 HydrophobicContact CB-CG2 4.33Å; V1237-D1241 HydrophobicContact CG1-CB 4.21Å; V1237-L1242 HydrophobicContact CB-CD1 4.28Å; V1237-L1242 HydrophobicContact CB-CD2 4.21Å; V1237-L1242 HydrophobicContact CB-CG 4.15Å; V1237-L1242 HydrophobicContact CG1-CD1 4.37Å; V1237-L1242 HydrophobicContact CG1-CD2 4.06Å; V1237-L1242 HydrophobicContact CG1-CG 3.8Å |
| 1238 | P | 87.1 | Confident | 85.9 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 142.8 | 172.8 | -22.9 | 34.1 | 0 | 0 | 0 | 112.8 | T1240 D1241 | P1238-T1240 PolarHBondContact O-N 3.29Å; P1238-T1240 VanDerWaalsContact O-N 3.09Å; P1238-D1241 PolarHBondContact O-N 3.16Å |
| 1239 | L | 82.7 | Confident | 85.4 | Confident | 31 Ų | 31 | 52.7 Ų | 52.7 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -55.6 | -30.8 | -178.2 | -167.3 | 71.9 | 0 | 0 | 0 | 114.1 | P1180 V1186 D1223 V1225 D1241 | P1180-L1239 HydrophobicContact CB-CD1 3.9Å; P1180-L1239 HydrophobicContact CG-CD1 3.62Å; P1180-L1239 HydrophobicContact CG-CG 4.13Å; V1186-L1239 HydrophobicContact CG2-CD1 3.95Å; D1223-L1239 PolarHBondContact O-N 2.93Å; V1225-L1239 HydrophobicContact CG2-CD1 4.32Å; L1239-D1241 VanDerWaalsContact C-N 3.26Å; L1239-D1241 PolarHBondContact O-N 2.82Å |
| 1240 | T | 83.2 | Confident | 84.6 | Confident | 97 Ų | 97 | 54.2 Ų | 54.2 | 60% | 0.595 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -65.1 | -27.6 | 178.2 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | P1238 R1243 | P1238-T1240 PolarHBondContact O-N 3.29Å; P1238-T1240 VanDerWaalsContact O-N 3.09Å; T1240-R1243 PolarHBondContact O-NH1 3.48Å |
| 1241 | D | 86.5 | Confident | 83.9 | Confident | 74 Ų | 74 | 52 Ų | 52 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -101.8 | -2.2 | -169.6 | -67.5 | 14.2 | 0 | 0 | 0 | 111.5 | V1237 P1238 L1239 | V1237-D1241 HydrophobicContact CG1-CB 4.21Å; P1238-D1241 PolarHBondContact O-N 3.16Å; L1239-D1241 VanDerWaalsContact C-N 3.26Å; L1239-D1241 PolarHBondContact O-N 2.82Å |
| 1242 | L | 89.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 146.6 | 172.8 | -74.6 | 162.7 | 0 | 0 | 0 | 112 | P1180 V1192 C1193 A1194 V1225 V1227 V1237 | P1180-L1242 WeakPolarHBondContact CD-O 3.15Å; P1180-L1242 HydrophobicContact CG-CB 4.06Å; V1192-L1242 HydrophobicContact CB-CD2 3.96Å; V1192-L1242 HydrophobicContact CG1-CD2 4.44Å; V1192-L1242 HydrophobicContact CG2-CD2 3.95Å; C1193-L1242 CarbonylContact O-C 3.41Å; A1194-L1242 HydrophobicContact CB-CD2 3.91Å; V1225-L1242 HydrophobicContact CB-CD1 3.79Å; V1225-L1242 HydrophobicContact CG1-CD1 4.43Å; V1225-L1242 HydrophobicContact CG2-CD1 3.94Å; V1227-L1242 HydrophobicContact CG2-CD2 4.01Å; V1237-L1242 HydrophobicContact CB-CD1 4.28Å; V1237-L1242 HydrophobicContact CB-CD2 4.21Å; V1237-L1242 HydrophobicContact CB-CG 4.15Å; V1237-L1242 HydrophobicContact CG1-CD1 4.37Å; V1237-L1242 HydrophobicContact CG1-CD2 4.06Å; V1237-L1242 HydrophobicContact CG1-CG 3.8Å |
| 1243 | R | 91.2 | Very high | 82.4 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.7 | 163.6 | -54.1 | -63.1 | 177.6 | -86.8 | -8.2 | 109.1 | L1048 E1177 V1178 F1179 V1192 C1193 L1204 T1240 | L1048-R1243 HydrophobicContact CD1-CB 3.94Å; L1048-R1243 HydrophobicContact CD1-CG 4.14Å; E1177-R1243 HydrophobicContact CG-CG 4.34Å; E1177-R1243 IonicContact OE1-CZ 3.64Å; E1177-R1243 IonicContact OE1-NE 3.67Å; E1177-R1243 PolarHBondContact OE1-NE 3.31Å; E1177-R1243 IonicContact OE1-NH2 2.75Å; V1178-R1243 CarbonylContact O-C 3.55Å; V1178-R1243 VanDerWaalsContact O-CA 3.29Å; V1178-R1243 WeakPolarHBondContact O-CA 3.5Å; F1179-R1243 VanDerWaalsContact CE1-NH1 3.28Å; F1179-R1243 VanDerWaalsContact CE1-NH2 3.27Å; F1179-R1243 VanDerWaalsContact CZ-NE 3.27Å; F1179-R1243 VanDerWaalsContact CZ-NH2 3.31Å; V1192-R1243 CarbonylContact C-O 3.58Å; V1192-R1243 WeakPolarHBondContact CA-O 3.12Å; V1192-R1243 WeakPolarHBondContact CB-O 3.49Å; C1193-R1243 PolarHBondContact N-O 2.67Å; C1193-R1243 PolarHBondContact O-N 3.18Å; L1204-R1243 HydrophobicContact CD1-CG 3.87Å; T1240-R1243 PolarHBondContact O-NH1 3.48Å |
| 1244 | I | 92.1 | Very high | 81.5 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.108 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 137.2 | 173.4 | -57.7 | 178.1 | 0 | 0 | 0 | 108.5 | T1028 V1178 P1180 V1186 | T1028-I1244 HydrophobicContact CG2-CG2 3.89Å; V1178-I1244 HydrophobicContact CB-CB 4.35Å; V1178-I1244 HydrophobicContact CG1-CB 4.39Å; V1178-I1244 HydrophobicContact CG1-CD1 4.18Å; V1178-I1244 PolarHBondContact O-N 3.13Å; P1180-I1244 HydrophobicContact CB-CD1 4.12Å; P1180-I1244 HydrophobicContact CB-CG1 4.17Å; V1186-I1244 HydrophobicContact CG1-CG1 4.17Å |
| 1245 | L | 91.1 | Very high | 80.6 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | trans | -112.9 | 154.9 | 169.7 | -69.5 | -177.8 | 0 | 0 | 0 | 110.2 | L1048 L1055 R1191 V1192 C1193 P1206 F1249 | L1048-L1245 HydrophobicContact CD1-CD2 4.17Å; L1055-L1245 HydrophobicContact CD1-CD1 4.36Å; L1055-L1245 HydrophobicContact CD2-CD2 3.78Å; R1191-L1245 HydrophobicContact CB-CB 4.12Å; R1191-L1245 PolarHBondContact O-N 2.91Å; V1192-L1245 WeakPolarHBondContact O-CD1 3.36Å; C1193-L1245 HydrophobicContact CB-CD1 3.78Å; C1193-L1245 HydrophobicContact CB-CG 4.2Å; P1206-L1245 HydrophobicContact CB-CD1 3.99Å; L1245-F1249 HydrophobicContact CB-CB 4.17Å; L1245-F1249 HydrophobicContact CB-CD2 4.32Å; L1245-F1249 HydrophobicContact CB-CG 4.32Å; L1245-F1249 HydrophobicContact CD1-CB 4.35Å; L1245-F1249 HydrophobicContact CD1-CD1 3.92Å; L1245-F1249 HydrophobicContact CD1-CD2 3.81Å; L1245-F1249 HydrophobicContact CD1-CE1 4.21Å; L1245-F1249 HydrophobicContact CD1-CE2 4.12Å; L1245-F1249 HydrophobicContact CD1-CG 3.74Å; L1245-F1249 HydrophobicContact CD1-CZ 4.32Å; L1245-F1249 HydrophobicContact CD2-CD2 3.99Å; L1245-F1249 HydrophobicContact CD2-CE2 4.19Å; L1245-F1249 HydrophobicContact CG-CD2 4.28Å; L1245-F1249 HydrophobicContact CG-CG 4.48Å | ||
| 1246 | P | 84.7 | Confident | 79.6 | Confident | 18 Ų | 18 | 44 Ų | 44 | 12% | 0.117 | 23% | 0.228 | C | C | . | . | trans | -56.1 | 145.5 | 168.1 | -24.2 | 33.5 | 0 | 0 | 0 | 111.5 | I1031 V1175 Y1248 F1249 | I1031-P1246 WeakPolarHBondContact O-CB 3.42Å; I1031-P1246 WeakPolarHBondContact O-CG 3.47Å; V1175-P1246 HydrophobicContact CG1-CG 3.88Å; P1246-Y1248 PolarHBondContact O-N 3.13Å; P1246-F1249 WeakPolarHBondContact O-CB 3.46Å; P1246-F1249 PolarHBondContact O-N 3.33Å | ||
| 1247 | D | 79.3 | Confident | 78.4 | Confident | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -38.2 | -178.6 | -66.7 | -7.7 | 0 | 0 | 0 | 112.1 | R1025 F1249 | R1025-D1247 IonicContact CZ-OD1 2.64Å; R1025-D1247 IonicContact CZ-OD2 3.46Å; R1025-D1247 VanDerWaalsContact NH1-CG 3.32Å; R1025-D1247 IonicContact NH1-OD1 2.67Å; R1025-D1247 PolarHBondContact NH1-OD1 2.98Å; R1025-D1247 IonicContact NH1-OD2 3.33Å; R1025-D1247 PolarHBondContact NH1-OD2 2.98Å; R1025-D1247 IonicContact NH2-OD1 2.7Å; R1025-D1247 PolarHBondContact NH2-OD1 2.94Å; R1025-D1247 IonicContact NH2-OD2 3.62Å; D1247-F1249 PolarHBondContact O-N 2.85Å |
| 1248 | Y | 74 | Confident | 77 | Confident | 148 Ų | 148 | 49.9 Ų | 49.9 | 58% | 0.58 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 27.7 | 177.8 | -51.2 | -67.5 | 0 | 0 | 0 | 112.9 | R1032 P1246 T1250 | R1032-Y1248 HydrophobicContact CG-CD2 4.14Å; P1246-Y1248 PolarHBondContact O-N 3.13Å; Y1248-T1250 PolarHBondContact O-N 2.94Å; Y1248-T1250 PolarHBondContact O-OG1 3.28Å; Y1248-T1250 VanDerWaalsContact O-OG1 3.06Å |
| 1249 | F | 81.9 | Confident | 75.6 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | trans | -66.7 | 114.9 | 177.1 | -175.6 | -83 | 0 | 0 | 0 | 112.2 | I1050 L1055 V1175 R1191 P1206 L1245 P1246 D1247 | I1050-F1249 HydrophobicContact CD1-CE2 3.75Å; I1050-F1249 HydrophobicContact CD1-CZ 4.02Å; I1050-F1249 HydrophobicContact CG1-CE2 4.06Å; I1050-F1249 HydrophobicContact CG1-CZ 4.15Å; L1055-F1249 HydrophobicContact CD1-CE1 4.48Å; L1055-F1249 HydrophobicContact CD1-CE2 4.44Å; L1055-F1249 HydrophobicContact CD1-CZ 3.88Å; L1055-F1249 HydrophobicContact CD2-CE2 3.7Å; L1055-F1249 HydrophobicContact CD2-CZ 3.92Å; L1055-F1249 HydrophobicContact CG-CE2 4.38Å; L1055-F1249 HydrophobicContact CG-CZ 4.09Å; V1175-F1249 HydrophobicContact CG2-CE2 4.39Å; R1191-F1249 PolarHBondContact NH2-O 2.82Å; P1206-F1249 HydrophobicContact CB-CD1 4.04Å; P1206-F1249 HydrophobicContact CB-CE1 3.77Å; P1206-F1249 HydrophobicContact CG-CE1 4.1Å; L1245-F1249 HydrophobicContact CB-CB 4.17Å; L1245-F1249 HydrophobicContact CB-CD2 4.32Å; L1245-F1249 HydrophobicContact CB-CG 4.32Å; L1245-F1249 HydrophobicContact CD1-CB 4.35Å; L1245-F1249 HydrophobicContact CD1-CD1 3.92Å; L1245-F1249 HydrophobicContact CD1-CD2 3.81Å; L1245-F1249 HydrophobicContact CD1-CE1 4.21Å; L1245-F1249 HydrophobicContact CD1-CE2 4.12Å; L1245-F1249 HydrophobicContact CD1-CG 3.74Å; L1245-F1249 HydrophobicContact CD1-CZ 4.32Å; L1245-F1249 HydrophobicContact CD2-CD2 3.99Å; L1245-F1249 HydrophobicContact CD2-CE2 4.19Å; L1245-F1249 HydrophobicContact CG-CD2 4.28Å; L1245-F1249 HydrophobicContact CG-CG 4.48Å; P1246-F1249 WeakPolarHBondContact O-CB 3.46Å; P1246-F1249 PolarHBondContact O-N 3.33Å; D1247-F1249 PolarHBondContact O-N 2.85Å | ||
| 1250 | T | 73.3 | Confident | 74 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.239 | 28% | 0.283 | C | S | . | . | trans | -116.7 | 142.1 | 178.8 | -3.1 | 0 | 0 | 0 | 0 | 109.9 | R1033 Y1248 E1254 I1258 | R1033-T1250 PolarHBondContact NH1-O 2.89Å; R1033-T1250 PolarHBondContact NH1-OG1 2.84Å; R1033-T1250 PolarHBondContact NH2-O 2.85Å; Y1248-T1250 PolarHBondContact O-N 2.94Å; Y1248-T1250 PolarHBondContact O-OG1 3.28Å; Y1248-T1250 VanDerWaalsContact O-OG1 3.06Å; T1250-E1254 HydrophobicContact CG2-CB 3.74Å; T1250-E1254 HydrophobicContact CG2-CG 4.48Å; T1250-E1254 WeakPolarHBondContact CG2-OE2 3.25Å; T1250-I1258 HydrophobicContact CG2-CD1 4.2Å | ||
| 1251 | N | 73.1 | Confident | 72.4 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | trans | -75 | 168 | 178.4 | 63.8 | 54.8 | 0 | 0 | 0 | 112.6 | C1253 E1254 L1255 | N1251-C1253 PolarHBondContact O-N 3.13Å; N1251-C1253 WeakPolarHBondContact OD1-CB 3.35Å; N1251-C1253 PolarHBondContact OD1-N 2.72Å; N1251-E1254 PolarHBondContact N-OE2 2.67Å; N1251-E1254 PolarHBondContact ND2-OE1 3.38Å; N1251-E1254 PolarHBondContact ND2-OE2 2.94Å; N1251-E1254 PolarHBondContact O-N 3.49Å; N1251-E1254 PolarHBondContact OD1-N 3.18Å; N1251-L1255 PolarHBondContact O-N 2.77Å | ||
| 1252 | L | 69.3 | Low | 70.5 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -33.4 | -176.5 | -163.6 | 73.5 | 0 | 0 | 0 | 112 | I1050 Q1173 L1255 I1256 L1267 | I1050-L1252 HydrophobicContact CG2-CB 3.93Å; Q1173-L1252 HydrophobicContact CG-CD1 3.99Å; L1252-L1255 PolarHBondContact O-N 2.91Å; L1252-I1256 HydrophobicContact CG-CD1 4.48Å; L1252-I1256 WeakPolarHBondContact O-CD1 3.2Å; L1252-I1256 VanDerWaalsContact O-CG1 3.31Å; L1252-I1256 WeakPolarHBondContact O-CG1 3.37Å; L1252-I1256 PolarHBondContact O-N 3.12Å; L1252-L1267 HydrophobicContact CD1-CD1 4.14Å; L1252-L1267 HydrophobicContact CD1-CD2 4.33Å |
| 1253 | C | 64.1 | Low | 68.5 | Low | 40 Ų | 40 | 59.3 Ų | 59.3 | 27% | 0.27 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 177 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | N1251 L1255 I1256 N1257 | N1251-C1253 PolarHBondContact O-N 3.13Å; N1251-C1253 WeakPolarHBondContact OD1-CB 3.35Å; N1251-C1253 PolarHBondContact OD1-N 2.72Å; C1253-L1255 VanDerWaalsContact C-N 3.34Å; C1253-I1256 PolarHBondContact O-N 2.81Å; C1253-N1257 PolarHBondContact O-N 2.89Å; C1253-N1257 PolarHBondContact O-ND2 2.76Å |
| 1254 | E | 67.7 | Low | 66.4 | Low | 83 Ų | 83 | 63 Ų | 63 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 173.8 | -77.1 | 147.7 | -159 | 0 | 0 | 111.8 | T1250 N1251 I1256 N1257 I1258 | T1250-E1254 HydrophobicContact CG2-CB 3.74Å; T1250-E1254 HydrophobicContact CG2-CG 4.48Å; T1250-E1254 WeakPolarHBondContact CG2-OE2 3.25Å; N1251-E1254 PolarHBondContact N-OE2 2.67Å; N1251-E1254 PolarHBondContact ND2-OE1 3.38Å; N1251-E1254 PolarHBondContact ND2-OE2 2.94Å; N1251-E1254 PolarHBondContact O-N 3.49Å; N1251-E1254 PolarHBondContact OD1-N 3.18Å; E1254-I1256 PolarHBondContact O-N 2.95Å; E1254-N1257 WeakPolarHBondContact O-CB 3.45Å; E1254-N1257 PolarHBondContact O-N 2.78Å; E1254-I1258 WeakPolarHBondContact O-CD1 3.38Å; E1254-I1258 VanDerWaalsContact O-CG1 3.25Å; E1254-I1258 WeakPolarHBondContact O-CG1 3.17Å; E1254-I1258 PolarHBondContact O-N 2.73Å |
| 1255 | L | 64.8 | Low | 64.3 | Low | 30 Ų | 30 | 68.7 Ų | 68.7 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 175.8 | -171 | 64.4 | 0 | 0 | 0 | 111.5 | Q1172 N1251 L1252 C1253 N1257 I1258 T1259 | Q1172-L1255 HydrophobicContact CB-CD2 4.37Å; N1251-L1255 PolarHBondContact O-N 2.77Å; L1252-L1255 PolarHBondContact O-N 2.91Å; C1253-L1255 VanDerWaalsContact C-N 3.34Å; L1255-N1257 PolarHBondContact O-N 3.49Å; L1255-I1258 PolarHBondContact O-N 3.05Å; L1255-T1259 HydrophobicContact CD1-CG2 4.41Å; L1255-T1259 WeakPolarHBondContact O-CG2 3.11Å; L1255-T1259 PolarHBondContact O-N 3.33Å; L1255-T1259 PolarHBondContact O-OG1 2.88Å |
| 1256 | I | 63.3 | Low | 62.3 | Low | 55 Ų | 55 | 70.5 Ų | 70.5 | 28% | 0.282 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 173.4 | -67.9 | 160.8 | 0 | 0 | 0 | 110.6 | L1252 C1253 E1254 I1258 T1259 G1260 L1267 | L1252-I1256 HydrophobicContact CG-CD1 4.48Å; L1252-I1256 WeakPolarHBondContact O-CD1 3.2Å; L1252-I1256 VanDerWaalsContact O-CG1 3.31Å; L1252-I1256 WeakPolarHBondContact O-CG1 3.37Å; L1252-I1256 PolarHBondContact O-N 3.12Å; C1253-I1256 PolarHBondContact O-N 2.81Å; E1254-I1256 PolarHBondContact O-N 2.95Å; I1256-I1258 VanDerWaalsContact C-N 3.33Å; I1256-I1258 PolarHBondContact O-N 2.79Å; I1256-T1259 PolarHBondContact O-N 2.89Å; I1256-T1259 PolarHBondContact O-OG1 3.3Å; I1256-T1259 VanDerWaalsContact O-OG1 3.13Å; I1256-G1260 PolarHBondContact O-N 2.91Å; I1256-L1267 HydrophobicContact CD1-CD1 4.3Å; I1256-L1267 HydrophobicContact CG1-CD1 3.61Å |
| 1257 | N | 59.9 | Low | 60.7 | Low | 78 Ų | 78 | 70.1 Ų | 70.1 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 178.1 | -73.3 | -68.9 | 0 | 0 | 0 | 112.9 | C1253 E1254 L1255 R1510 | C1253-N1257 PolarHBondContact O-N 2.89Å; C1253-N1257 PolarHBondContact O-ND2 2.76Å; E1254-N1257 WeakPolarHBondContact O-CB 3.45Å; E1254-N1257 PolarHBondContact O-N 2.78Å; L1255-N1257 PolarHBondContact O-N 3.49Å; N1257-R1510 PolarHBondContact ND2-NH2 2.83Å; N1257-R1510 PolarHBondContact OD1-NE 2.95Å; N1257-R1510 PolarHBondContact OD1-NH2 3.25Å |
| 1258 | I | 58.6 | Low | 59.3 | Low | 123 Ų | 123 | 70.9 Ų | 70.9 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -73 | -42.3 | 179.1 | -67.6 | 161.1 | 0 | 0 | 0 | 111 | T1250 E1254 L1255 I1256 G1260 | T1250-I1258 HydrophobicContact CG2-CD1 4.2Å; E1254-I1258 WeakPolarHBondContact O-CD1 3.38Å; E1254-I1258 VanDerWaalsContact O-CG1 3.25Å; E1254-I1258 WeakPolarHBondContact O-CG1 3.17Å; E1254-I1258 PolarHBondContact O-N 2.73Å; L1255-I1258 PolarHBondContact O-N 3.05Å; I1256-I1258 VanDerWaalsContact C-N 3.33Å; I1256-I1258 PolarHBondContact O-N 2.79Å; I1258-G1260 PolarHBondContact O-N 2.87Å |
| 1259 | T | 56.4 | Low | 57.8 | Low | 69 Ų | 69 | 65.9 Ų | 65.9 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.3 | -18.7 | -177.4 | 54.1 | 0 | 0 | 0 | 0 | 114 | L1255 I1256 E1261 | L1255-T1259 HydrophobicContact CD1-CG2 4.41Å; L1255-T1259 WeakPolarHBondContact O-CG2 3.11Å; L1255-T1259 PolarHBondContact O-N 3.33Å; L1255-T1259 PolarHBondContact O-OG1 2.88Å; I1256-T1259 PolarHBondContact O-N 2.89Å; I1256-T1259 PolarHBondContact O-OG1 3.3Å; I1256-T1259 VanDerWaalsContact O-OG1 3.13Å; T1259-E1261 PolarHBondContact O-N 3.11Å |
| 1260 | G | 49.6 | Very low | 55.8 | Low | 56 Ų | 56 | 68.6 Ų | 68.6 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | trans | 65.9 | -9.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1256 I1258 N1262 | I1256-G1260 PolarHBondContact O-N 2.91Å; I1258-G1260 PolarHBondContact O-N 2.87Å; G1260-N1262 PolarHBondContact O-N 2.75Å | ||
| 1261 | E | 49.2 | Very low | 54.1 | Low | 100 Ų | 100 | 72.1 Ų | 72.1 | 47% | 0.467 | 41% | 0.407 | S | S | . | . | trans | -66.5 | 116.4 | 176.7 | -69.5 | -164.5 | -162.1 | 0 | 0 | 110.2 | T1259 N1263 | T1259-E1261 PolarHBondContact O-N 3.11Å; E1261-N1263 HydrophobicContact CB-CB 4.17Å; E1261-N1263 PolarHBondContact O-N 3.36Å; E1261-N1263 PolarHBondContact OE2-ND2 2.87Å | ||
| 1262 | N | 48.2 | Very low | 51.9 | Low | 140 Ų | 140 | 76.1 Ų | 76.1 | 75% | 0.749 | 43% | 0.427 | S | S | * | . | trans | -63.2 | 6.4 | 169.4 | -66 | -38.6 | 0 | 0 | 0 | 113.4 | G1260 I1264 | G1260-N1262 PolarHBondContact O-N 2.75Å; N1262-I1264 PolarHBondContact O-N 2.91Å | ||
| 1263 | N | 46.1 | Very low | 50 | Low | 89 Ų | 89 | 78.4 Ų | 78.4 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | trans | -75.1 | 57.8 | 174.5 | -65.9 | -38.8 | 0 | 0 | 0 | 112 | E1261 N1265 C1266 | E1261-N1263 HydrophobicContact CB-CB 4.17Å; E1261-N1263 PolarHBondContact O-N 3.36Å; E1261-N1263 PolarHBondContact OE2-ND2 2.87Å; N1263-N1265 PolarHBondContact O-N 3.12Å; N1263-C1266 HydrophobicContact CB-CB 4.08Å; N1263-C1266 PolarHBondContact O-N 2.91Å; N1263-C1266 PolarHBondContact O-SG 3.01Å | ||
| 1264 | I | 48.4 | Very low | 48.4 | Very low | 111 Ų | 111 | 81.7 Ų | 81.7 | 57% | 0.569 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -49.6 | -30.1 | 173.3 | -62.2 | 169.4 | 0 | 0 | 0 | 111.4 | N1262 C1266 T1268 | N1262-I1264 PolarHBondContact O-N 2.91Å; I1264-C1266 PolarHBondContact O-N 3.46Å; I1264-T1268 PolarHBondContact O-OG1 3.41Å |
| 1265 | N | 48.3 | Very low | 46.6 | Very low | 140 Ų | 140 | 83.8 Ų | 83.8 | 75% | 0.749 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -74.1 | -17.4 | 179.3 | -62.1 | -26.2 | 0 | 0 | 0 | 114.9 | N1263 | N1263-N1265 PolarHBondContact O-N 3.12Å |
| 1266 | C | 48.4 | Very low | 44.6 | Very low | 40 Ų | 40 | 93.1 Ų | 93.1 | 27% | 0.27 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -77.2 | -36.3 | -177.3 | 79.6 | 0 | 0 | 0 | 0 | 111.9 | W1168 Q1169 N1263 I1264 | W1168-C1266 HydrophobicContact CH2-CB 3.85Å; W1168-C1266 VanDerWaalsContact CH2-O 3.24Å; W1168-C1266 WeakPolarHBondContact CH2-O 3.25Å; Q1169-C1266 PolarHBondContact NE2-O 3.44Å; N1263-C1266 HydrophobicContact CB-CB 4.08Å; N1263-C1266 PolarHBondContact O-N 2.91Å; N1263-C1266 PolarHBondContact O-SG 3.01Å; I1264-C1266 PolarHBondContact O-N 3.46Å |
| 1267 | L | 50.5 | Low | 42.8 | Very low | 9 Ų | 9 | 98.1 Ų | 98.1 | 5% | 0.047 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -91.7 | -4.5 | 174.6 | -70.1 | 172.5 | 0 | 0 | 0 | 113.6 | W1168 Q1172 Q1173 L1252 I1256 P1269 | W1168-L1267 HydrophobicContact CZ3-CD2 4.47Å; Q1172-L1267 HydrophobicContact CB-CD2 4.13Å; Q1173-L1267 HydrophobicContact CG-CD2 3.93Å; Q1173-L1267 VanDerWaalsContact NE2-CA 3.31Å; Q1173-L1267 VanDerWaalsContact NE2-CD2 3.28Å; Q1173-L1267 PolarHBondContact NE2-O 2.9Å; L1252-L1267 HydrophobicContact CD1-CD1 4.14Å; L1252-L1267 HydrophobicContact CD1-CD2 4.33Å; I1256-L1267 HydrophobicContact CD1-CD1 4.3Å; I1256-L1267 HydrophobicContact CG1-CD1 3.61Å; L1267-P1269 WeakPolarHBondContact O-CD 3.25Å |
| 1268 | T | 49.7 | Very low | 41.3 | Very low | 72 Ų | 72 | 100.1 Ų | 100.1 | 44% | 0.442 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -73.9 | 122.6 | 171.5 | -60.4 | 0 | 0 | 0 | 0 | 109.2 | I1264 C1270 | I1264-T1268 PolarHBondContact O-OG1 3.41Å; T1268-C1270 PolarHBondContact O-N 2.88Å |
| 1269 | P | 43.6 | Very low | 39.6 | Very low | 43 Ų | 43 | 102.5 Ų | 102.5 | 28% | 0.279 | 58% | 0.576 | S | S | . | * | trans | -62.9 | 139.5 | -179.3 | 23.9 | -33.3 | 0 | 0 | 0 | 111.1 | L1163 L1165 L1267 L1271 | L1163-P1269 HydrophobicContact CD1-CB 3.6Å; L1163-P1269 HydrophobicContact CD1-CG 4.29Å; L1163-P1269 HydrophobicContact CG-CB 4.42Å; L1165-P1269 HydrophobicContact CD2-CB 4.39Å; L1267-P1269 WeakPolarHBondContact O-CD 3.25Å; P1269-L1271 HydrophobicContact CG-CG 4.5Å; P1269-L1271 PolarHBondContact O-N 2.88Å | ||
| 1270 | C | 39.6 | Very low | 37.9 | Very low | 71 Ų | 71 | 109.8 Ų | 109.8 | 48% | 0.48 | 60% | 0.595 | S | S | . | * | trans | -69.8 | 78.1 | 173.4 | -80.4 | 0 | 0 | 0 | 0 | 110.7 | T1268 I1272 | T1268-C1270 PolarHBondContact O-N 2.88Å; C1270-I1272 HydrophobicContact CB-CG1 4.31Å; C1270-I1272 PolarHBondContact O-N 3.22Å | ||
| 1271 | L | 37 | Very low | 36.9 | Very low | 113 Ų | 113 | 116.1 Ų | 116.1 | 59% | 0.592 | 61% | 0.609 | S | S | * | * | trans | -71.2 | 77.3 | 166.6 | -63.5 | -177.7 | 0 | 0 | 0 | 108.9 | L1163 P1269 S1273 | L1163-L1271 HydrophobicContact CD1-CD2 4.37Å; P1269-L1271 HydrophobicContact CG-CG 4.5Å; P1269-L1271 PolarHBondContact O-N 2.88Å; L1271-S1273 PolarHBondContact O-N 3.32Å | ||
| 1272 | I | 27.9 | Very low | 35.6 | Very low | 123 Ų | 123 | 118 Ų | 118 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | trans | -63.6 | 98.2 | -179.1 | -60.1 | 175.1 | 0 | 0 | 0 | 109.5 | C1270 | C1270-I1272 HydrophobicContact CB-CG1 4.31Å; C1270-I1272 PolarHBondContact O-N 3.22Å | ||
| 1273 | S | 29.2 | Very low | 34.6 | Very low | 62 Ų | 62 | 116.4 Ų | 116.4 | 43% | 0.434 | 62% | 0.622 | S | S | . | * | trans | -67.1 | 134.2 | 145.6 | -163.8 | 0 | 0 | 0 | 0 | 107.2 | L1271 D1275 | L1271-S1273 PolarHBondContact O-N 3.32Å; S1273-D1275 WeakPolarHBondContact CB-OD2 3.47Å; S1273-D1275 PolarHBondContact O-N 3.4Å; S1273-D1275 PolarHBondContact OG-OD2 3.42Å | ||
| 1274 | S | 30.1 | Very low | 33.6 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 76% | 0.755 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 29.3 | -163.2 | -173.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1275 | D | 30.4 | Very low | 32.5 | Very low | 127 Ų | 127 | 122 Ų | 122 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 0.9 | -165.1 | -54.8 | -57.2 | 0 | 0 | 0 | 113 | S1273 L1277 | S1273-D1275 WeakPolarHBondContact CB-OD2 3.47Å; S1273-D1275 PolarHBondContact O-N 3.4Å; S1273-D1275 PolarHBondContact OG-OD2 3.42Å; D1275-L1277 PolarHBondContact O-N 3.49Å |
| 1276 | Y | 23 | Very low | 31.4 | Very low | 226 Ų | 226 | 121.6 Ų | 121.6 | 89% | 0.886 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -75.3 | 32 | 175 | -129.9 | -81.8 | 0 | 0 | 0 | 114.3 | ||
| 1277 | L | 25 | Very low | 30.3 | Very low | 161 Ų | 161 | 126.4 Ų | 126.4 | 84% | 0.843 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -151.8 | 66.7 | 173.7 | -76.3 | -176.5 | 0 | 0 | 0 | 111.7 | D1275 | D1275-L1277 PolarHBondContact O-N 3.49Š|
| 1278 | S | 28.1 | Very low | 29.2 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | trans | -170.8 | 74.4 | 155.4 | -80.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1279 | L | 22.9 | Very low | 28.1 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | trans | -95 | 131 | 150.2 | -143.4 | 78.7 | 0 | 0 | 0 | 107.1 | ||||
| 1280 | R | 20.9 | Very low | 27.4 | Very low | 223 Ų | 223 | 139.2 Ų | 139.2 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | 112.2 | 103.1 | -176.4 | -66.8 | 161 | -173.2 | -109.7 | -3.1 | 113.8 | ||||
| 1281 | H | 27.8 | Very low | 26.8 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | -158.4 | 118.5 | 112.2 | -109.3 | -64.2 | 0 | 0 | 0 | 110.2 | |||||
| 1282 | D | 22.8 | Very low | 26.5 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -64.8 | 144 | 170.7 | -39.6 | -86.6 | 0 | 0 | 0 | 110.5 | ||||
| 1283 | S | 27.9 | Very low | 26.6 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -174.8 | 109 | 140 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | I1285 | S1283-I1285 PolarHBondContact O-N 2.93Š| ||
| 1284 | N | 23.4 | Very low | 26.6 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 0.1 | 109.1 | 150.9 | -56.3 | -6.6 | 0 | 0 | 0 | 115.9 | ||||
| 1285 | I | 26 | Very low | 26.5 | Very low | 166 Ų | 166 | 153.9 Ų | 153.9 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -112.6 | 107.5 | 152.7 | -65.3 | -179.8 | 0 | 0 | 0 | 106 | S1283 | S1283-I1285 PolarHBondContact O-N 2.93Š| ||
| 1286 | N | 26.3 | Very low | 26.3 | Very low | 130 Ų | 130 | 157.6 Ų | 157.6 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | trans | -64.5 | 143.4 | 178.6 | -76.9 | -7.2 | 0 | 0 | 0 | 111.4 | ||||
| 1287 | N | 24.6 | Very low | 26.5 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | 0.7 | 113.2 | 153.1 | -59.6 | -5 | 0 | 0 | 0 | 116.3 | ||||
| 1288 | N | 27.8 | Very low | 26.7 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -129.2 | 105.1 | 144.4 | -83.8 | -51.3 | 0 | 0 | 0 | 107.4 | G1290 | N1288-G1290 PolarHBondContact O-N 3.03Š| ||
| 1289 | N | 26.2 | Very low | 26.4 | Very low | 171 Ų | 171 | 155 Ų | 155 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | trans | -69.2 | 97.1 | 171.6 | -78.7 | -12.6 | 0 | 0 | 0 | 108.7 | ||||
| 1290 | G | 28.5 | Very low | 26.6 | Very low | 62 Ų | 62 | 153.9 Ų | 153.9 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | -128.9 | 112 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | N1288 D1292 | N1288-G1290 PolarHBondContact O-N 3.03Å; G1290-D1292 VanDerWaalsContact C-N 3.3Å; G1290-D1292 PolarHBondContact O-N 3.16Å | ||
| 1291 | K | 26.8 | Very low | 26.8 | Very low | 216 Ų | 216 | 152.8 Ų | 152.8 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -67.5 | 87.4 | 170.8 | -78.8 | 179.3 | 173 | 177.3 | 0 | 109.4 | ||||
| 1292 | D | 31.2 | Very low | 26.6 | Very low | 153 Ų | 153 | 154 Ų | 154 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -119.5 | 109.9 | 163.6 | -95.8 | -38.2 | 0 | 0 | 0 | 109.3 | G1290 G1294 | G1290-D1292 VanDerWaalsContact C-N 3.3Å; G1290-D1292 PolarHBondContact O-N 3.16Å; D1292-G1294 PolarHBondContact O-N 2.98Å | ||
| 1293 | N | 28.8 | Very low | 26.8 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -72.2 | 58.2 | 176.8 | -77 | -26.5 | 0 | 0 | 0 | 111.6 | K1295 | N1293-K1295 VanDerWaalsContact C-N 3.27Å; N1293-K1295 PolarHBondContact O-N 3.36Å | ||
| 1294 | G | 29.6 | Very low | 26.6 | Very low | 52 Ų | 52 | 154.4 Ų | 154.4 | 54% | 0.536 | 79% | 0.785 | S | S | . | * | trans | -77.4 | 70.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1292 F1296 | D1292-G1294 PolarHBondContact O-N 2.98Å; G1294-F1296 WeakPolarHBondContact O-CD2 3.45Å; G1294-F1296 PolarHBondContact O-N 3.49Å | ||
| 1295 | K | 29.4 | Very low | 26.8 | Very low | 194 Ų | 194 | 154.6 Ų | 154.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -53 | 106.9 | 163.8 | -89.9 | -177 | 175.5 | 175.3 | 0 | 107.7 | N1293 V1297 | N1293-K1295 VanDerWaalsContact C-N 3.27Å; N1293-K1295 PolarHBondContact O-N 3.36Å; K1295-V1297 HydrophobicContact CB-CG2 4.34Å; K1295-V1297 PolarHBondContact O-N 3.14Å | ||
| 1296 | F | 24.3 | Very low | 27.1 | Very low | 205 Ų | 205 | 154.6 Ų | 154.6 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 69.1 | 169.3 | -86.4 | -89.7 | 0 | 0 | 0 | 109.1 | G1294 S1298 | G1294-F1296 WeakPolarHBondContact O-CD2 3.45Å; G1294-F1296 PolarHBondContact O-N 3.49Å; F1296-S1298 PolarHBondContact O-N 3.26Å | ||
| 1297 | V | 28.8 | Very low | 27.2 | Very low | 116 Ų | 116 | 155.3 Ų | 155.3 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | trans | -62 | 98.5 | 160 | -180 | 0 | 0 | 0 | 0 | 105.4 | K1295 R1299 | K1295-V1297 HydrophobicContact CB-CG2 4.34Å; K1295-V1297 PolarHBondContact O-N 3.14Å; V1297-R1299 VanDerWaalsContact C-N 3.29Å; V1297-R1299 PolarHBondContact O-N 2.95Å | ||
| 1298 | S | 28.7 | Very low | 27.2 | Very low | 102 Ų | 102 | 157.1 Ų | 157.1 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -50.5 | 98.6 | 169.5 | -76.7 | 0 | 0 | 0 | 0 | 107.7 | F1296 I1300 | F1296-S1298 PolarHBondContact O-N 3.26Å; S1298-I1300 PolarHBondContact O-N 3.04Å | ||
| 1299 | R | 22.2 | Very low | 27 | Very low | 233 Ų | 233 | 157.4 Ų | 157.4 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -74.8 | 71.4 | -171.9 | -168.4 | -177.1 | -64.9 | 160.9 | 0.5 | 108.8 | V1297 R1301 | V1297-R1299 VanDerWaalsContact C-N 3.29Å; V1297-R1299 PolarHBondContact O-N 2.95Å; R1299-R1301 PolarHBondContact O-N 2.67Å | ||
| 1300 | I | 26.5 | Very low | 26.9 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -54.5 | 107.1 | 164.8 | -65.4 | 173.6 | 0 | 0 | 0 | 104.8 | S1298 R1302 | S1298-I1300 PolarHBondContact O-N 3.04Å; I1300-R1302 VanDerWaalsContact C-N 3.29Å; I1300-R1302 PolarHBondContact O-N 2.84Å | ||
| 1301 | R | 25.4 | Very low | 26.7 | Very low | 200 Ų | 200 | 156.7 Ų | 156.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -67.9 | 91.7 | -174.3 | -176.7 | 177.9 | -70.3 | 169 | -2.5 | 107.8 | R1299 H1303 | R1299-R1301 PolarHBondContact O-N 2.67Å; R1301-H1303 WeakPolarHBondContact CD-NE2 3.23Å; R1301-H1303 PolarHBondContact O-CD2 3.13Å; R1301-H1303 PolarHBondContact O-N 3.38Å | ||
| 1302 | R | 23.4 | Very low | 26.5 | Very low | 213 Ų | 213 | 157.9 Ų | 157.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -56.9 | 108.1 | 167 | -65 | -173.1 | -175.9 | -178.2 | 1.8 | 106.6 | I1300 S1304 | I1300-R1302 VanDerWaalsContact C-N 3.29Å; I1300-R1302 PolarHBondContact O-N 2.84Å; R1302-S1304 PolarHBondContact O-N 3.46Å; R1302-S1304 VanDerWaalsContact O-N 3.09Å | ||
| 1303 | H | 25.9 | Very low | 26.2 | Very low | 171 Ų | 171 | 155.4 Ų | 155.4 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -80.5 | 79.7 | 165.8 | -81.1 | -82.9 | 0 | 0 | 0 | 106.9 | R1301 | R1301-H1303 WeakPolarHBondContact CD-NE2 3.23Å; R1301-H1303 PolarHBondContact O-CD2 3.13Å; R1301-H1303 PolarHBondContact O-N 3.38Å | ||
| 1304 | S | 24 | Very low | 25.9 | Very low | 84 Ų | 84 | 158.3 Ų | 158.3 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | trans | -136.8 | 54.1 | 176.9 | 60.8 | 0 | 0 | 0 | 0 | 109.3 | R1302 | R1302-S1304 PolarHBondContact O-N 3.46Å; R1302-S1304 VanDerWaalsContact O-N 3.09Å | ||
| 1305 | D | 27.6 | Very low | 25.7 | Very low | 158 Ų | 158 | 164 Ų | 164 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -150.7 | 91.1 | 173.4 | -76.5 | -49.5 | 0 | 0 | 0 | 108.1 | ||||
| 1306 | L | 32.2 | Very low | 25.4 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -151.5 | 133.2 | 145.2 | -165.9 | 63.6 | 0 | 0 | 0 | 109.1 | ||||
| 1307 | D | 28.5 | Very low | 25.3 | Very low | 146 Ų | 146 | 161.6 Ų | 161.6 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -72.1 | 166.2 | -159.3 | -55.3 | -83.8 | 0 | 0 | 0 | 115.6 | N1309 | D1307-N1309 PolarHBondContact O-N 3.18Š| ||
| 1308 | H | 25.2 | Very low | 25.1 | Very low | 180 Ų | 180 | 161 Ų | 161 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | -46.1 | 124.3 | 162.8 | -59.5 | -31.9 | 0 | 0 | 0 | 111.9 | ||||
| 1309 | N | 24.4 | Very low | 24.9 | Very low | 165 Ų | 165 | 164.9 Ų | 164.9 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -133.6 | 94.5 | 144.1 | -112.3 | -39.7 | 0 | 0 | 0 | 110.2 | D1307 | D1307-N1309 PolarHBondContact O-N 3.18Š| ||
| 1310 | T | 22.7 | Very low | 24.9 | Very low | 114 Ų | 114 | 158.4 Ų | 158.4 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -25.7 | 130.8 | 157.2 | -53.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1311 | S | 23.9 | Very low | 24.8 | Very low | 105 Ų | 105 | 156.4 Ų | 156.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 47.7 | 103.5 | 152 | -54.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1312 | R | 24.6 | Very low | 24.7 | Very low | 241 Ų | 241 | 152.5 Ų | 152.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -145.2 | 109.8 | 130.2 | -112.8 | 163.3 | -165.2 | -108.4 | -0.2 | 111 | Y1314 | R1312-Y1314 PolarHBondContact O-N 3.12Š| ||
| 1313 | S | 23.3 | Very low | 25.1 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -60.3 | 121.7 | 168.5 | 37 | 0 | 0 | 0 | 0 | 110 | H1315 | S1313-H1315 VanDerWaalsContact C-N 3.28Å; S1313-H1315 PolarHBondContact O-N 3.27Å | ||
| 1314 | Y | 23.2 | Very low | 25.1 | Very low | 232 Ų | 232 | 147.7 Ų | 147.7 | 91% | 0.91 | 79% | 0.788 | S | S | * | * | trans | -79.2 | 90.7 | 147.3 | -80 | -82.4 | 0 | 0 | 0 | 106.9 | R1312 | R1312-Y1314 PolarHBondContact O-N 3.12Š| ||
| 1315 | H | 25.5 | Very low | 25.3 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -66.7 | 147.6 | 155.1 | -100.7 | 24.7 | 0 | 0 | 0 | 109.1 | S1313 W1317 | S1313-H1315 VanDerWaalsContact C-N 3.28Å; S1313-H1315 PolarHBondContact O-N 3.27Å; H1315-W1317 PolarHBondContact O-N 3.12Å | ||
| 1316 | S | 23.8 | Very low | 25.3 | Very low | 104 Ų | 104 | 151.4 Ų | 151.4 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -52.8 | 136.8 | 178 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | S1318 | S1316-S1318 PolarHBondContact O-N 3.46Š| ||
| 1317 | W | 21 | Very low | 24.9 | Very low | 245 Ų | 245 | 149.8 Ų | 149.8 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -77.7 | 80.6 | 163.4 | -141.3 | -23.9 | 0 | 0 | 0 | 107.5 | H1315 Q1319 | H1315-W1317 PolarHBondContact O-N 3.12Å; W1317-Q1319 PolarHBondContact O-N 3.42Å | ||
| 1318 | S | 24.4 | Very low | 24.8 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 121.1 | 159.7 | 34.8 | 0 | 0 | 0 | 0 | 107.8 | S1316 | S1316-S1318 PolarHBondContact O-N 3.46Š|
| 1319 | Q | 24.4 | Very low | 24.7 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 132.8 | 173 | -69.6 | 177.4 | 2.4 | 0 | 0 | 109 | W1317 | W1317-Q1319 PolarHBondContact O-N 3.42Š|
| 1320 | S | 23 | Very low | 24.7 | Very low | 97 Ų | 97 | 147.1 Ų | 147.1 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 172.3 | 154.1 | 67.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 1321 | T | 24.4 | Very low | 24.6 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | cis | -169.9 | 149.4 | 20 | -13.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1322 | S | 22.5 | Very low | 24.6 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -94.1 | 113.1 | 147.1 | -60.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1323 | P | 31.8 | Very low | 24.8 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 120.3 | 174.4 | -8.3 | 26.2 | 0 | 0 | 0 | 109.8 | ||
| 1324 | L | 27.5 | Very low | 24.9 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 131.7 | 159.3 | -84.6 | 169.4 | 0 | 0 | 0 | 109 | ||
| 1325 | H | 26.7 | Very low | 25 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.9 | 147.9 | -85.1 | -112.5 | 0 | 0 | 0 | 107.1 | ||
| 1326 | D | 27.3 | Very low | 25 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | -157.3 | 154.7 | 61.6 | -92.4 | -42.5 | 0 | 0 | 0 | 113.4 | |||||
| 1327 | T | 24.6 | Very low | 25 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -113.9 | 110.9 | 176.8 | 50.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1328 | M | 26.3 | Very low | 25.2 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -131.4 | 101.5 | 153.4 | -72.9 | -66.9 | 173.8 | 0 | 0 | 106.2 | ||||
| 1329 | S | 23 | Very low | 25.4 | Very low | 94 Ų | 94 | 139 Ų | 139 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | 71.8 | 115.8 | 75.2 | -167.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 1330 | L | 25.4 | Very low | 25.4 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | 125.2 | 104.7 | 150.4 | -74.2 | 142.9 | 0 | 0 | 0 | 115.9 | ||||
| 1331 | C | 20.3 | Very low | 25.6 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -83.4 | 130.6 | 160.1 | -171.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1332 | S | 22.9 | Very low | 25.7 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -168.8 | 102.4 | 161.5 | -84.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1333 | P | 29.7 | Very low | 25.8 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -92.8 | 131.9 | 162 | 33.4 | -27.8 | 0 | 0 | 0 | 110.5 | ||||
| 1334 | R | 24.7 | Very low | 25.6 | Very low | 218 Ų | 218 | 142.4 Ų | 142.4 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | trans | -152.6 | 124.8 | -179 | -171 | 165.1 | -173.6 | -179.8 | 3.4 | 114.9 | ||||
| 1335 | M | 25.1 | Very low | 25.4 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | trans | 74.2 | 131.1 | 153.9 | -67.9 | -82.3 | -177.7 | 0 | 0 | 121.7 | ||||
| 1336 | N | 26.2 | Very low | 25.2 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 67.9 | 147 | 136 | -66.3 | -5.9 | 0 | 0 | 0 | 119.2 | ||||
| 1337 | T | 24.8 | Very low | 25.2 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | cis | -165.4 | 162.3 | 2.5 | 9.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1338 | N | 24.3 | Very low | 25.3 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | 62.6 | 112.1 | 154.2 | -54.9 | -20.4 | 0 | 0 | 0 | 119.6 | ||||
| 1339 | L | 28.9 | Very low | 25.2 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | -172.5 | 155.3 | 99.8 | -97.3 | 163.6 | 0 | 0 | 0 | 113 | |||||
| 1340 | M | 24.7 | Very low | 25.6 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | trans | -83.6 | 161.8 | -159.2 | -104.4 | 156.4 | 60.7 | 0 | 0 | 116.9 | ||||
| 1341 | L | 26.8 | Very low | 25.5 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | 70.2 | 139 | 149.4 | -66.6 | 164.8 | 0 | 0 | 0 | 118.2 | ||||
| 1342 | D | 26.3 | Very low | 26 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | cis | -160 | 161.2 | -7.8 | -149.9 | -11.2 | 0 | 0 | 0 | 113.2 | ||||
| 1343 | S | 24.2 | Very low | 26.2 | Very low | 90 Ų | 90 | 150.8 Ų | 150.8 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | 74.6 | 106.9 | 149.7 | 73.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1344 | K | 27.6 | Very low | 26 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | 98.6 | 107.7 | 120.2 | -74 | -176.6 | 179.2 | 175.6 | 0 | 123.8 | |||||
| 1345 | F | 23.1 | Very low | 26.1 | Very low | 171 Ų | 171 | 151 Ų | 151 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | trans | 58.8 | 118.6 | 144.2 | -61.5 | -76.9 | 0 | 0 | 0 | 120.7 | ||||
| 1346 | F | 23.2 | Very low | 26 | Very low | 173 Ų | 173 | 150 Ų | 150 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | cis | 78.8 | 116.8 | 46.4 | -89 | -80 | 0 | 0 | 0 | 117.7 | T1348 | F1346-T1348 HydrophobicContact CD1-CG2 4.05Å; F1346-T1348 HydrophobicContact CE1-CG2 4.33Å | ||
| 1347 | F | 27.4 | Very low | 26 | Very low | 188 Ų | 188 | 152 Ų | 152 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | 164.1 | 80.6 | 132.5 | -91 | -65.6 | 0 | 0 | 0 | 109.3 | ||||
| 1348 | T | 26.4 | Very low | 25.8 | Very low | 104 Ų | 104 | 157.6 Ų | 157.6 | 64% | 0.638 | 78% | 0.78 | S | S | * | * | 57.5 | 111.9 | 94.3 | 65.8 | 0 | 0 | 0 | 0 | 117.4 | F1346 | F1346-T1348 HydrophobicContact CD1-CG2 4.05Å; F1346-T1348 HydrophobicContact CE1-CG2 4.33Å | |||
| 1349 | E | 23.9 | Very low | 26 | Very low | 189 Ų | 189 | 158.6 Ų | 158.6 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -63.9 | 157.4 | 165.4 | -54.8 | 162.8 | 117 | 0 | 0 | 112.9 | ||||
| 1350 | K | 30.8 | Very low | 25.7 | Very low | 206 Ų | 206 | 158.9 Ų | 158.9 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | -140.6 | 135 | 155.3 | -84.3 | -170.5 | 177.9 | 172.5 | 0 | 112.6 | ||||
| 1351 | N | 24.7 | Very low | 25.7 | Very low | 157 Ų | 157 | 156.1 Ų | 156.1 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -69.7 | 149.5 | 177.1 | -61.6 | -72.4 | 0 | 0 | 0 | 112.9 | ||||
| 1352 | S | 30.2 | Very low | 25.6 | Very low | 111 Ų | 111 | 156 Ų | 156 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 171.4 | 132.1 | 107.3 | 48.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1353 | N | 26.2 | Very low | 25.4 | Very low | 157 Ų | 157 | 160 Ų | 160 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | 4.6 | 134.8 | 147.7 | -49.1 | -37.4 | 0 | 0 | 0 | 119.7 | ||||
| 1354 | K | 26.7 | Very low | 25.6 | Very low | 192 Ų | 192 | 161.7 Ų | 161.7 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | 146.5 | 141.7 | 99.7 | -161.9 | 177.4 | -175.3 | -179.7 | 0 | 114 | |||||
| 1355 | L | 25.5 | Very low | 25.5 | Very low | 153 Ų | 153 | 163.7 Ų | 163.7 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | 92.4 | 138.8 | 153.6 | -141.9 | 63.9 | 0 | 0 | 0 | 120.2 | ||||
| 1356 | T | 23.8 | Very low | 25.7 | Very low | 106 Ų | 106 | 162.9 Ų | 162.9 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | -95 | 156 | -176.4 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1357 | H | 26.6 | Very low | 25.8 | Very low | 174 Ų | 174 | 160.8 Ų | 160.8 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 151.8 | 107.2 | 144.5 | -83.9 | -68.5 | 0 | 0 | 0 | 108 | ||||
| 1358 | R | 20.9 | Very low | 25.7 | Very low | 219 Ų | 219 | 157 Ų | 157 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | 64.1 | 89.6 | 71.6 | -165.8 | -171.7 | -163.9 | 168.7 | 7.5 | 114.9 | |||||
| 1359 | I | 27.3 | Very low | 25.9 | Very low | 162 Ų | 162 | 160.1 Ų | 160.1 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -165.5 | 115.3 | 146.3 | -85.7 | 132.5 | 0 | 0 | 0 | 103.9 | ||||
| 1360 | K | 22.6 | Very low | 25.8 | Very low | 182 Ų | 182 | 158.3 Ų | 158.3 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | 63.1 | 98.9 | 68.3 | -85.9 | -160.6 | 171.2 | -167.9 | 0 | 116.1 | |||||
| 1361 | S | 25.5 | Very low | 25.4 | Very low | 92 Ų | 92 | 153.2 Ų | 153.2 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | 53.7 | 123.2 | 137.8 | 61.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1362 | N | 23.8 | Very low | 25.3 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | -180 | 148.1 | 94.9 | -93.7 | -49 | 0 | 0 | 0 | 114.3 | |||||
| 1363 | R | 22 | Very low | 25 | Very low | 219 Ų | 219 | 150.9 Ų | 150.9 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | 28.4 | 132.5 | 143.1 | -59.2 | 173.1 | 171.9 | 179.2 | -4.9 | 119.8 | ||||
| 1364 | T | 28.7 | Very low | 24.9 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | 178.5 | 137.6 | 98.5 | 37.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1365 | R | 26.7 | Very low | 25 | Very low | 224 Ų | 224 | 143.9 Ų | 143.9 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | 60.7 | 151.9 | 143.3 | -75.9 | 179.9 | 165.5 | 168.2 | -3.7 | 118.3 | ||||
| 1366 | K | 26.5 | Very low | 24.9 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | cis | -156.3 | 140.3 | 8 | -123.5 | -178.4 | 174 | -173.1 | 0 | 110.5 | ||||
| 1367 | D | 24.9 | Very low | 24.9 | Very low | 129 Ų | 129 | 150.3 Ų | 150.3 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | 51.7 | 139.1 | 136 | -51.6 | -13 | 0 | 0 | 0 | 125 | ||||
| 1368 | S | 26.2 | Very low | 24.8 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 84.1 | 155.2 | 150.8 | 77.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1369 | Q | 29.8 | Very low | 24.9 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 69.5 | 69 | -166.6 | -45.4 | -56.6 | -10.7 | 0 | 0 | 113.8 | ||||
| 1370 | L | 23.1 | Very low | 24.7 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | 58.5 | 111.2 | 81.6 | -78.7 | 166.6 | 0 | 0 | 0 | 116.2 | |||||
| 1371 | S | 22.7 | Very low | 24.7 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | 61.1 | 125.3 | 140.7 | 61.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1372 | S | 22.5 | Very low | 24.6 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 106 | 128.8 | 130.7 | 76.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1373 | S | 23.2 | Very low | 24.6 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 70.3 | 81 | 144.1 | -56.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1374 | S | 23.7 | Very low | 24.8 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | -1.8 | 162.4 | 120.1 | -159.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 1375 | S | 28.6 | Very low | 24.5 | Very low | 86 Ų | 86 | 139.7 Ų | 139.7 | 60% | 0.601 | 77% | 0.77 | S | S | * | * | trans | 72.5 | 106 | -172 | 74 | 0 | 0 | 0 | 0 | 112.3 | R1377 | S1375-R1377 VanDerWaalsContact C-N 3.33Š| ||
| 1376 | N | 24.2 | Very low | 24.3 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | cis | 47.8 | 50.6 | 38.3 | -78.8 | -2.8 | 0 | 0 | 0 | 112 | ||||
| 1377 | R | 24.4 | Very low | 24.2 | Very low | 222 Ų | 222 | 137.3 Ų | 137.3 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -90.2 | 117.9 | 148.5 | -81.6 | -170.6 | 172.7 | -165.4 | -2.8 | 109.1 | S1375 M1379 | S1375-R1377 VanDerWaalsContact C-N 3.33Å; R1377-M1379 PolarHBondContact O-N 3.32Å | ||
| 1378 | T | 23.6 | Very low | 24 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | -44.3 | 132.6 | 155 | 36 | 0 | 0 | 0 | 0 | 109.8 | E1380 | T1378-E1380 PolarHBondContact O-N 3.21Š| ||
| 1379 | M | 23.9 | Very low | 24.4 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -61.5 | 97.4 | 172.9 | -79.1 | -81.5 | -176.3 | 0 | 0 | 109.7 | R1377 | R1377-M1379 PolarHBondContact O-N 3.32Š| ||
| 1380 | E | 21.4 | Very low | 24.1 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -64.9 | 142.7 | 154.1 | -156.8 | 166.5 | -157.2 | 0 | 0 | 107.9 | T1378 T1382 | T1378-E1380 PolarHBondContact O-N 3.21Å; E1380-T1382 PolarHBondContact O-N 3.21Å; E1380-T1382 VanDerWaalsContact O-N 3.09Å | ||
| 1381 | C | 23.6 | Very low | 24.2 | Very low | 120 Ų | 120 | 135 Ų | 135 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -69.2 | 111.9 | -165.1 | 43.3 | 0 | 0 | 0 | 0 | 113 | V1383 | C1381-V1383 PolarHBondContact O-N 2.7Š| ||
| 1382 | T | 23.5 | Very low | 24.2 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 68% | 0.681 | 78% | 0.775 | S | S | * | * | trans | -48.5 | 103.4 | 151.2 | -23.9 | 0 | 0 | 0 | 0 | 110.2 | E1380 | E1380-T1382 PolarHBondContact O-N 3.21Å; E1380-T1382 VanDerWaalsContact O-N 3.09Å | ||
| 1383 | V | 23.7 | Very low | 24.1 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -146.1 | 107.9 | 132.2 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | C1381 S1385 | C1381-V1383 PolarHBondContact O-N 2.7Å; V1383-S1385 PolarHBondContact O-N 3.32Å | ||
| 1384 | N | 25.6 | Very low | 24 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | trans | -15.9 | 120.7 | 154.4 | -53.1 | -18 | 0 | 0 | 0 | 113.9 | ||||
| 1385 | S | 22.5 | Very low | 24.2 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | 56.8 | 104.6 | 84.2 | -55.1 | 0 | 0 | 0 | 0 | 114.4 | V1383 | V1383-S1385 PolarHBondContact O-N 3.32Š| |||
| 1386 | L | 22.5 | Very low | 24.2 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | 61.6 | 90.5 | 134.3 | -57.5 | 167.9 | 0 | 0 | 0 | 118.1 | ||||
| 1387 | I | 23.9 | Very low | 24.3 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 90% | 0.903 | 76% | 0.758 | S | S | * | * | trans | -127.6 | 125.5 | 130.8 | -60.7 | -175.9 | 0 | 0 | 0 | 108.1 | ||||
| 1388 | S | 22.4 | Very low | 24.4 | Very low | 91 Ų | 91 | 126 Ų | 126 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | -90.7 | -173 | -172.8 | -36.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1389 | P | 34.9 | Very low | 24.5 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | -115.4 | 155.5 | -120.7 | 27.2 | -6.8 | 0 | 0 | 0 | 114.4 | |||||
| 1390 | T | 23.4 | Very low | 24.6 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | -120.7 | 111.9 | 166.6 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1391 | H | 23.4 | Very low | 24.9 | Very low | 170 Ų | 170 | 123.4 Ų | 123.4 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | trans | 69.2 | 141.6 | 135.7 | -82.4 | -95.8 | 0 | 0 | 0 | 122.1 | ||||
| 1392 | T | 22.6 | Very low | 25.2 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | trans | 76.6 | 95.7 | 145.4 | 45.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1393 | T | 21.1 | Very low | 25.3 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | 58.8 | 144.9 | 118.1 | 56.3 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1394 | S | 22.1 | Very low | 25.4 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | cis | -178.8 | 172.4 | -6.8 | 179.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1395 | T | 26.6 | Very low | 25.7 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | trans | 72.4 | 140.3 | 170.5 | 75.5 | 0 | 0 | 0 | 0 | 116.9 | P24 | P24-T1395 WeakPolarHBondContact CB-OG1 3.43Š| ||
| 1396 | G | 29.2 | Very low | 26.3 | Very low | 57 Ų | 57 | 125 Ų | 125 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | trans | 132 | 82.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1397 | A | 25 | Very low | 26.6 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -73.5 | 135.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1398 | T | 26.7 | Very low | 27 | Very low | 134 Ų | 134 | 120 Ų | 120 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -68.8 | 137.7 | 139.6 | 48.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1399 | S | 26 | Very low | 27.4 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | -157.1 | 112 | 129.8 | -155.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1400 | V | 27.6 | Very low | 27.4 | Very low | 135 Ų | 135 | 122.8 Ų | 122.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -64.1 | 157 | 152 | -147.4 | 0 | 0 | 0 | 0 | 107.8 | S1402 | V1400-S1402 PolarHBondContact O-N 2.76Š| ||
| 1401 | M | 27.1 | Very low | 27.9 | Very low | 181 Ų | 181 | 121.9 Ų | 121.9 | 89% | 0.892 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -69.8 | 124.4 | 171.9 | -70.7 | -179.5 | 152 | 0 | 0 | 110.7 | ||
| 1402 | S | 28.6 | Very low | 28.2 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 56% | 0.559 | 74% | 0.736 | S | S | * | * | -179.6 | 159.8 | 125.7 | -98.6 | 0 | 0 | 0 | 0 | 112 | V1400 | V1400-S1402 PolarHBondContact O-N 2.76Š| |||
| 1403 | L | 25.6 | Very low | 28.4 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | trans | -96.7 | 135.4 | -159.6 | -75 | 139.5 | 0 | 0 | 0 | 114.6 | T1683 | L1403-T1683 HydrophobicContact CD1-CG2 4Š| ||
| 1404 | R | 27.1 | Very low | 28.6 | Very low | 227 Ų | 227 | 123.2 Ų | 123.2 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | 50.8 | 127.3 | 123.2 | -160 | 173.4 | -177.2 | 159.5 | 4.7 | 117.6 | |||||
| 1405 | S | 30.7 | Very low | 29.1 | Very low | 93 Ų | 93 | 124 Ų | 124 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | cis | 172.1 | -167.8 | 13 | 53.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1406 | P | 36.3 | Very low | 29.2 | Very low | 104 Ų | 104 | 125 Ų | 125 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | -140.8 | 166.2 | -55.9 | 37.8 | -19.4 | 0 | 0 | 0 | 117.8 | |||||
| 1407 | S | 29.2 | Very low | 29.1 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 73.8 | 165.5 | 146.8 | 81.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1408 | P | 32.3 | Very low | 29.3 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | cis | -142.9 | 164.8 | -2.5 | 43.3 | -24.8 | 0 | 0 | 0 | 119.9 | ||||
| 1409 | L | 29.6 | Very low | 29.3 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | trans | 79.7 | 169.9 | 142 | -105.8 | 77.4 | 0 | 0 | 0 | 123.8 | ||||
| 1410 | P | 35.9 | Very low | 29.4 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | -135.3 | -162.8 | -115.5 | 46.4 | -26.7 | 0 | 0 | 0 | 118.6 | |||||
| 1411 | S | 34 | Very low | 29.4 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | 99 | 154.9 | 162.5 | 85.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1412 | L | 29.3 | Very low | 29.2 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | cis | -162.8 | 163.6 | -19.1 | -135.7 | 100.8 | 0 | 0 | 0 | 113.8 | ||||
| 1413 | Q | 26.8 | Very low | 29.2 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | 70.8 | 171 | 150.4 | -112.8 | 165.1 | -13.4 | 0 | 0 | 125.3 | ||||
| 1414 | T | 25.6 | Very low | 29.2 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -127.7 | -154.5 | -157.5 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1415 | P | 32.9 | Very low | 29.2 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | cis | -135.8 | -160.4 | -25.8 | 26.9 | -0.8 | 0 | 0 | 0 | 115 | ||||
| 1416 | V | 28.4 | Very low | 29.1 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | trans | 109.3 | 98.7 | 147.2 | -169.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1417 | T | 26.4 | Very low | 28.7 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | 1.2 | 150.5 | 139 | 59 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1418 | I | 28.9 | Very low | 28.6 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 80% | 0.795 | 74% | 0.735 | S | S | * | * | 172.1 | 137.3 | 108 | -88.5 | 176.3 | 0 | 0 | 0 | 115.8 | |||||
| 1419 | S | 27.6 | Very low | 28.3 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -2.6 | 152.8 | 165.6 | 72.5 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 1420 | G | 28.4 | Very low | 28 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | 150.9 | 116.6 | 105 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1421 | F | 26.6 | Very low | 27.6 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | 59.1 | 157.4 | 143 | -70.4 | -100.1 | 0 | 0 | 0 | 121.4 | ||||
| 1422 | N | 24 | Very low | 27 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | cis | -175.1 | 176.9 | -40.7 | -123.9 | -28.5 | 0 | 0 | 0 | 109.1 | ||||
| 1423 | H | 28.4 | Very low | 26.8 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | trans | 76.7 | 146.4 | 170.7 | -70.9 | -80.7 | 0 | 0 | 0 | 118.8 | ||||
| 1424 | I | 24.4 | Very low | 26.6 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 72% | 0.723 | 75% | 0.752 | S | S | * | * | 175.6 | 157 | -65.7 | -163.9 | 149.7 | 0 | 0 | 0 | 108.3 | |||||
| 1425 | S | 28.4 | Very low | 26.5 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | trans | 86.9 | 111.9 | 153.8 | -72.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1426 | N | 28 | Very low | 26.1 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | 70.1 | 151.5 | 121 | -57.8 | 19.4 | 0 | 0 | 0 | 119.8 | |||||
| 1427 | D | 27.4 | Very low | 26 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | cis | -171.7 | 169.4 | -21.8 | -99.9 | -35.1 | 0 | 0 | 0 | 108.5 | ||||
| 1428 | K | 27.9 | Very low | 26 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 97.4 | 116.3 | 150.8 | -58.7 | -157.3 | 177.5 | 171.1 | 0 | 121.8 | ||||
| 1429 | Y | 24.8 | Very low | 26.2 | Very low | 206 Ų | 206 | 140.9 Ų | 140.9 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | 71.5 | 98.8 | 131.2 | -81.8 | -101.5 | 0 | 0 | 0 | 121.5 | ||||
| 1430 | M | 23.8 | Very low | 26.6 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | 19.4 | 122.8 | 113.5 | -58 | -83.7 | 94.6 | 0 | 0 | 117.9 | |||||
| 1431 | S | 26.8 | Very low | 26.8 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | -177.2 | 154.6 | 100.8 | -153.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1432 | E | 23 | Very low | 27 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -38.2 | 132.4 | -178.7 | -62.6 | 168.2 | 139 | 0 | 0 | 121.3 | ||||
| 1433 | C | 23.4 | Very low | 27.3 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | 36.4 | 117.4 | 124.7 | -56.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1434 | S | 22.9 | Very low | 27.1 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | trans | -160.6 | 157.2 | 144.5 | -92.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1435 | N | 23.5 | Very low | 27.5 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -84 | 152.2 | -175.2 | -57.6 | -58.7 | 0 | 0 | 0 | 113.7 | ||||
| 1436 | N | 25.9 | Very low | 27.7 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | 158 | 128.7 | 110.3 | -88.5 | -36 | 0 | 0 | 0 | 116.1 | |||||
| 1437 | N | 26.2 | Very low | 27.6 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 41.8 | 129.6 | 135.9 | -95.5 | -8.8 | 0 | 0 | 0 | 124.7 | ||||
| 1438 | N | 25.6 | Very low | 27.8 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 58 | 120.4 | 136.6 | -69.8 | -12 | 0 | 0 | 0 | 121.6 | ||||
| 1439 | N | 33.8 | Very low | 27.9 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | -157.1 | 144.4 | 117.1 | -121.6 | -25.2 | 0 | 0 | 0 | 112.3 | |||||
| 1440 | N | 35 | Very low | 28 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -157.2 | 126.3 | 173.2 | -151.4 | 11.1 | 0 | 0 | 0 | 110.1 | ||||
| 1441 | N | 32.6 | Very low | 28.3 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 161.1 | 150.2 | 176.3 | -92.8 | -16.4 | 0 | 0 | 0 | 106.7 | ||||
| 1442 | N | 30.3 | Very low | 28.3 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | cis | -167.7 | 177 | 4.5 | -124.2 | -19.5 | 0 | 0 | 0 | 110.7 | ||||
| 1443 | N | 30.8 | Very low | 28.6 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | 77.6 | 156 | 158.7 | -53 | -33.1 | 0 | 0 | 0 | 119.2 | ||||
| 1444 | N | 25.7 | Very low | 28.8 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | cis | -176.3 | -179.3 | -40.6 | -136.7 | -5.4 | 0 | 0 | 0 | 108 | ||||
| 1445 | T | 32.1 | Very low | 29.1 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | 70.4 | 149.1 | 168.4 | 64 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1446 | D | 31.9 | Very low | 29.1 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | cis | -163.3 | 147.3 | -14.2 | -98.6 | -21.1 | 0 | 0 | 0 | 112.8 | ||||
| 1447 | N | 25.6 | Very low | 29.1 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | trans | 38.7 | 157.4 | 144.4 | -60.1 | -37.3 | 0 | 0 | 0 | 127.5 | ||||
| 1448 | H | 33.1 | Very low | 29.1 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | 87.7 | 116.7 | 153.7 | -68.2 | -52.6 | 0 | 0 | 0 | 120.1 | ||||
| 1449 | N | 28.9 | Very low | 28.9 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | 82.4 | 144.1 | 93.9 | -76.7 | 61.9 | 0 | 0 | 0 | 114.8 | |||||
| 1450 | D | 27.3 | Very low | 28.6 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | cis | -169 | -178.1 | -11.1 | -134.8 | -40.8 | 0 | 0 | 0 | 113.6 | ||||
| 1451 | I | 30.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 64% | 0.641 | 73% | 0.732 | S | S | * | * | trans | 66.4 | 120.4 | 144.9 | -72.8 | 163.2 | 0 | 0 | 0 | 122.5 | ||||
| 1452 | N | 27.5 | Very low | 28.3 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | 46.6 | 163 | 131.7 | -53 | 10.4 | 0 | 0 | 0 | 122.6 | ||||
| 1453 | D | 27.6 | Very low | 28.1 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | cis | -162.1 | 168.6 | -8.5 | -124 | -42.4 | 0 | 0 | 0 | 112.8 | ||||
| 1454 | T | 28.1 | Very low | 27.8 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | 56.3 | 125.3 | 153.7 | 55.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1455 | L | 30.3 | Very low | 27.6 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | -178 | 133.9 | 116.1 | -98.6 | 172.9 | 0 | 0 | 0 | 112.6 | |||||
| 1456 | E | 22.7 | Very low | 27.3 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -106.9 | 155.1 | 175.9 | -58.2 | 177.2 | 117 | 0 | 0 | 112.4 | ||||
| 1457 | K | 25.8 | Very low | 26.8 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | 168.8 | 145.7 | 124.1 | -99.1 | 175.5 | 177.7 | 176.4 | 0 | 116.7 | |||||
| 1458 | V | 26.6 | Very low | 26.7 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | 70.9 | 113.8 | 150.2 | 173.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1459 | I | 22.1 | Very low | 26.2 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | 80.2 | 127.5 | 55.4 | -64.3 | 166.6 | 0 | 0 | 0 | 111.5 | |||||
| 1460 | Y | 26.7 | Very low | 26.2 | Very low | 220 Ų | 220 | 150.6 Ų | 150.6 | 86% | 0.863 | 77% | 0.765 | S | S | * | * | cis | -149.8 | 176.7 | 10.6 | -107.7 | -28.2 | 0 | 0 | 0 | 112.1 | ||||
| 1461 | P | 33.5 | Very low | 26.1 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -107.8 | 166 | -177.6 | 41.2 | -35.5 | 0 | 0 | 0 | 116.6 | ||||
| 1462 | L | 27.7 | Very low | 25.8 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -155.2 | 118.3 | 165 | -163.9 | 63 | 0 | 0 | 0 | 116.7 | ||||
| 1463 | N | 25.3 | Very low | 25.8 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | trans | 24.5 | 139.3 | 145.2 | -62.8 | -6.5 | 0 | 0 | 0 | 126.9 | ||||
| 1464 | N | 24.8 | Very low | 25.8 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | 72.7 | 101.4 | 130.7 | -64.9 | -1.1 | 0 | 0 | 0 | 124.6 | ||||
| 1465 | H | 21.6 | Very low | 25.8 | Very low | 170 Ų | 170 | 152.8 Ų | 152.8 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | 51.3 | 92.9 | 103.8 | -138.3 | -56.9 | 0 | 0 | 0 | 121.2 | |||||
| 1466 | L | 25.4 | Very low | 25.4 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -145.3 | 128.4 | 146.5 | -70.3 | 178 | 0 | 0 | 0 | 105.4 | ||||
| 1467 | S | 21.9 | Very low | 25.6 | Very low | 86 Ų | 86 | 147.8 Ų | 147.8 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | 82.6 | 123.4 | 58.5 | -61.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1468 | E | 23.6 | Very low | 25.5 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 70.9 | 91.3 | 158.3 | -72.1 | 157 | 177.9 | 0 | 0 | 120.4 | ||||
| 1469 | E | 23 | Very low | 25.4 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | 37.9 | 87.4 | 115.8 | -159.9 | 155.8 | -152.9 | 0 | 0 | 118 | |||||
| 1470 | F | 29.1 | Very low | 25.5 | Very low | 203 Ų | 203 | 142.8 Ų | 142.8 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -91.6 | 138.3 | 164.4 | -109.9 | -95.7 | 0 | 0 | 0 | 112 | ||||
| 1471 | T | 24.2 | Very low | 25.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -79.1 | 151 | -179.8 | 48.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1472 | A | 24.3 | Very low | 24.9 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | 55.2 | 94.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1473 | D | 28.5 | Very low | 24.7 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -116.5 | 104.7 | 147.5 | -98 | -38.5 | 0 | 0 | 0 | 109.8 | I1475 | D1473-I1475 PolarHBondContact O-N 3.47Š| ||
| 1474 | N | 27.3 | Very low | 24.9 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -75.2 | 97.9 | 174.3 | -74.6 | -43.7 | 0 | 0 | 0 | 110.1 | S1476 | N1474-S1476 PolarHBondContact O-N 2.78Š| ||
| 1475 | I | 27.4 | Very low | 24.9 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -89 | 83.6 | 165.5 | -57.3 | -177.4 | 0 | 0 | 0 | 108.6 | D1473 | D1473-I1475 PolarHBondContact O-N 3.47Š| ||
| 1476 | S | 23.1 | Very low | 25.1 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | -66.7 | 126.9 | 172.7 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | N1474 S1478 | N1474-S1476 PolarHBondContact O-N 2.78Å; S1476-S1478 PolarHBondContact OG-OG 3.44Å | ||
| 1477 | I | 26.1 | Very low | 25.7 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | trans | -127 | 72.3 | 161.4 | -52.2 | -178.8 | 0 | 0 | 0 | 108.3 | ||||
| 1478 | S | 23.6 | Very low | 26.7 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | -54.5 | 151.9 | 143.6 | -53.3 | 0 | 0 | 0 | 0 | 109.1 | S1476 | S1476-S1478 PolarHBondContact OG-OG 3.44Š| ||
| 1479 | S | 24 | Very low | 27.8 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | cis | -168.1 | 140.6 | 3.2 | 41.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1480 | T | 23.9 | Very low | 28.8 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -141.3 | 90.1 | 146.7 | -55.4 | 0 | 0 | 0 | 0 | 107.6 | A1482 | T1480-A1482 PolarHBondContact O-N 3.49Š| ||
| 1481 | I | 24.5 | Very low | 30.2 | Very low | 141 Ų | 141 | 120.3 Ų | 120.3 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | trans | -79 | 112.3 | 172.8 | -58.6 | 171.9 | 0 | 0 | 0 | 106.8 | T1483 | I1481-T1483 HydrophobicContact CG2-CG2 3.6Š| ||
| 1482 | A | 23.7 | Very low | 32.7 | Very low | 87 Ų | 87 | 117.1 Ų | 117.1 | 72% | 0.719 | 71% | 0.707 | S | S | * | * | trans | -97.3 | 106.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | T1480 T1484 | T1480-A1482 PolarHBondContact O-N 3.49Å; A1482-T1484 PolarHBondContact O-N 3.47Å; A1482-T1484 VanDerWaalsContact O-N 3.14Å | ||
| 1483 | T | 23.7 | Very low | 35.7 | Very low | 126 Ų | 126 | 114.6 Ų | 114.6 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | trans | -73.7 | 95.8 | -179.5 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | I1481 | I1481-T1483 HydrophobicContact CG2-CG2 3.6Š| ||
| 1484 | T | 28.9 | Very low | 38.3 | Very low | 126 Ų | 126 | 112.2 Ų | 112.2 | 77% | 0.773 | 66% | 0.664 | S | S | * | * | trans | -146.6 | 108.8 | 161.8 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | A1482 | A1482-T1484 PolarHBondContact O-N 3.47Å; A1482-T1484 VanDerWaalsContact O-N 3.14Å | ||
| 1485 | D | 25.4 | Very low | 41 | Very low | 131 Ų | 131 | 106.5 Ų | 106.5 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | trans | 39.6 | 100.9 | 168.7 | -73.4 | -39.2 | 0 | 0 | 0 | 119.8 | S1487 | D1485-S1487 VanDerWaalsContact C-N 3.29Å; D1485-S1487 PolarHBondContact O-N 2.99Å | ||
| 1486 | S | 25.7 | Very low | 43.5 | Very low | 131 Ų | 131 | 106.2 Ų | 106.2 | 92% | 0.916 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 77.8 | 156.2 | 50.8 | 0 | 0 | 0 | 0 | 112 | ||
| 1487 | S | 38.5 | Very low | 46.2 | Very low | 94 Ų | 94 | 105.8 Ų | 105.8 | 66% | 0.657 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.8 | 8.9 | 158.3 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | D1485 E1489 | D1485-S1487 VanDerWaalsContact C-N 3.29Å; D1485-S1487 PolarHBondContact O-N 2.99Å; S1487-E1489 PolarHBondContact O-N 3.35Å |
| 1488 | N | 41.9 | Very low | 48.6 | Very low | 154 Ų | 154 | 104.4 Ų | 104.4 | 82% | 0.824 | 60% | 0.601 | S | S | * | * | trans | -76.3 | 58 | 164.8 | -75.2 | -59.9 | 0 | 0 | 0 | 110.9 | C1490 | N1488-C1490 PolarHBondContact O-N 2.8Š| ||
| 1489 | E | 47 | Very low | 50.7 | Low | 120 Ų | 120 | 104.1 Ų | 104.1 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | trans | -48.5 | 134.7 | 154.6 | -65.7 | -169.6 | 146.3 | 0 | 0 | 107.8 | S1487 L1491 | S1487-E1489 PolarHBondContact O-N 3.35Å; E1489-L1491 HydrophobicContact CB-CD2 3.86Å; E1489-L1491 PolarHBondContact O-N 3.38Å | ||
| 1490 | C | 44.3 | Very low | 52.3 | Low | 119 Ų | 119 | 106.5 Ų | 106.5 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | trans | -75.7 | 79.7 | -178.2 | -163.3 | 0 | 0 | 0 | 0 | 108.3 | N1488 S1492 | N1488-C1490 PolarHBondContact O-N 2.8Å; C1490-S1492 PolarHBondContact O-N 2.7Å | ||
| 1491 | L | 57.7 | Low | 54 | Low | 47 Ų | 47 | 106.2 Ų | 106.2 | 25% | 0.246 | 57% | 0.57 | C | S | . | * | trans | -63.2 | 79.1 | -178.1 | -55.4 | -174.3 | 0 | 0 | 0 | 109.7 | E1489 W1493 V1516 | E1489-L1491 HydrophobicContact CB-CD2 3.86Å; E1489-L1491 PolarHBondContact O-N 3.38Å; L1491-W1493 PolarHBondContact O-N 2.74Å; L1491-V1516 HydrophobicContact CD2-CG2 4.06Å | ||
| 1492 | S | 76.7 | Confident | 55.7 | Low | 55 Ų | 55 | 108.5 Ų | 108.5 | 39% | 0.385 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -73.3 | 122.7 | 175.7 | 52.8 | 0 | 0 | 0 | 0 | 108.4 | C1490 D1515 | C1490-S1492 PolarHBondContact O-N 2.7Å; S1492-D1515 VanDerWaalsContact CB-OD2 3.29Å; S1492-D1515 WeakPolarHBondContact CB-OD2 3.27Å; S1492-D1515 VanDerWaalsContact O-CG 3.29Å; S1492-D1515 PolarHBondContact O-N 2.99Å; S1492-D1515 WeakPolarHBondContact OG-CB 3.46Å; S1492-D1515 PolarHBondContact OG-OD2 3.33Å |
| 1493 | W | 87.7 | Confident | 57.3 | Low | 28 Ų | 28 | 110.9 Ų | 110.9 | 11% | 0.106 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 126.3 | 176.1 | -72.6 | 86.3 | 0 | 0 | 0 | 108.9 | L1491 I1512 I1513 R1514 L1519 V1521 I1553 A1591 I1594 | L1491-W1493 PolarHBondContact O-N 2.74Å; W1493-I1512 HydrophobicContact CD2-CD1 4.19Å; W1493-I1512 HydrophobicContact CE3-CB 4.06Å; W1493-I1512 HydrophobicContact CE3-CD1 3.59Å; W1493-I1512 HydrophobicContact CE3-CG1 3.66Å; W1493-I1512 HydrophobicContact CZ3-CD1 3.9Å; W1493-I1512 HydrophobicContact CZ3-CG1 3.81Å; W1493-I1513 CarbonylContact C-O 3.26Å; W1493-I1513 WeakPolarHBondContact CA-O 3.45Å; W1493-R1514 HydrophobicContact CD2-CB 3.98Å; W1493-R1514 HydrophobicContact CD2-CG 4.47Å; W1493-R1514 HydrophobicContact CE3-CB 3.85Å; W1493-R1514 HydrophobicContact CH2-CB 3.85Å; W1493-R1514 HydrophobicContact CZ2-CB 3.95Å; W1493-R1514 HydrophobicContact CZ2-CG 4.26Å; W1493-R1514 HydrophobicContact CZ3-CB 3.78Å; W1493-L1519 HydrophobicContact CH2-CD2 4.1Å; W1493-L1519 HydrophobicContact CH2-CG 4.42Å; W1493-V1521 HydrophobicContact CH2-CG2 3.84Å; W1493-V1521 HydrophobicContact CZ3-CB 4.42Å; W1493-V1521 HydrophobicContact CZ3-CG2 3.93Å; W1493-I1553 HydrophobicContact CB-CD1 3.93Å; W1493-I1553 VanDerWaalsContact O-CD1 3.27Å; W1493-I1553 WeakPolarHBondContact O-CD1 3.44Å; W1493-A1591 HydrophobicContact CB-CB 4Å; W1493-A1591 HydrophobicContact CD2-CB 3.95Å; W1493-A1591 VanDerWaalsContact CE2-O 3.3Å; W1493-A1591 HydrophobicContact CG-CB 3.59Å; W1493-A1591 VanDerWaalsContact NE1-C 3.31Å; W1493-A1591 PolarHBondContact NE1-O 2.88Å; W1493-A1591 VanDerWaalsContact NE1-O 3.1Å; W1493-I1594 HydrophobicContact CH2-CB 4.12Å; W1493-I1594 HydrophobicContact CH2-CD1 4.29Å; W1493-I1594 HydrophobicContact CH2-CG2 4.08Å; W1493-I1594 HydrophobicContact CZ2-CB 3.79Å; W1493-I1594 HydrophobicContact CZ2-CD1 4.4Å; W1493-I1594 HydrophobicContact CZ2-CG2 4.18Å |
| 1494 | Q | 83.3 | Confident | 59.1 | Low | 112 Ų | 112 | 113 Ų | 113 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 148 | 174 | -69.1 | -174.7 | 38.8 | 0 | 0 | 111 | Y1496 I1512 I1513 D1515 | Q1494-Y1496 PolarHBondContact O-N 3.1Å; Q1494-Y1496 VanDerWaalsContact O-N 3.13Å; Q1494-I1512 WeakPolarHBondContact O-CA 3.43Å; Q1494-I1513 HydrophobicContact CB-CG2 3.97Å; Q1494-I1513 PolarHBondContact N-O 3.01Å; Q1494-I1513 PolarHBondContact O-N 3.1Å; Q1494-D1515 WeakPolarHBondContact CG-OD1 3.34Å; Q1494-D1515 WeakPolarHBondContact CG-OD2 3.39Å; Q1494-D1515 PolarHBondContact NE2-OD1 3.27Å; Q1494-D1515 PolarHBondContact NE2-OD2 3.4Å |
| 1495 | V | 83.6 | Confident | 60.8 | Low | 35 Ų | 35 | 109.6 Ų | 109.6 | 21% | 0.212 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -80 | 99.6 | 175.5 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | K1498 C1509 I1553 | V1495-K1498 HydrophobicContact CB-CG 4.41Å; V1495-K1498 HydrophobicContact CG1-CD 4.21Å; V1495-K1498 HydrophobicContact CG1-CG 3.41Å; V1495-K1498 VanDerWaalsContact CG1-CG 3.41Å; V1495-C1509 HydrophobicContact CG1-CB 3.76Å; V1495-C1509 WeakPolarHBondContact CG1-SG 3.35Å; V1495-I1553 HydrophobicContact CG2-CD1 3.68Å; V1495-I1553 HydrophobicContact CG2-CG1 4.3Å |
| 1496 | Y | 80.7 | Confident | 62.8 | Low | 145 Ų | 145 | 104.9 Ų | 104.9 | 57% | 0.569 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -53.9 | 178.6 | -172.2 | -90.3 | 0 | 0 | 0 | 111.6 | Q1494 S1511 I1513 I1520 | Q1494-Y1496 PolarHBondContact O-N 3.1Å; Q1494-Y1496 VanDerWaalsContact O-N 3.13Å; Y1496-S1511 WeakPolarHBondContact CD1-OG 3.24Å; Y1496-S1511 PolarHBondContact N-O 2.85Å; Y1496-I1513 HydrophobicContact CD2-CB 4.06Å; Y1496-I1513 HydrophobicContact CD2-CD1 4.08Å; Y1496-I1513 HydrophobicContact CD2-CG2 4.04Å; Y1496-I1513 HydrophobicContact CE2-CD1 4.35Å; Y1496-I1513 HydrophobicContact CG-CB 4.47Å; Y1496-I1520 HydrophobicContact CD2-CD1 4.46Å; Y1496-I1520 HydrophobicContact CE2-CD1 4.1Å |
| 1497 | E | 78.6 | Confident | 65.3 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.2 | 178.7 | -166.8 | -173.9 | 168.8 | 0 | 0 | 111 | C1509 R1510 S1511 | E1497-C1509 CarbonylContact O-C 3.5Å; E1497-C1509 WeakPolarHBondContact O-CA 3.23Å; E1497-R1510 HydrophobicContact CB-CB 4.06Å; E1497-R1510 HydrophobicContact CG-CB 3.92Å; E1497-R1510 HydrophobicContact CG-CG 4.39Å; E1497-R1510 PolarHBondContact O-N 3.27Å; E1497-R1510 WeakPolarHBondContact OE2-CG 3.36Å; E1497-S1511 WeakPolarHBondContact CB-OG 3.21Å; E1497-S1511 PolarHBondContact N-O 3.12Å; E1497-S1511 VanDerWaalsContact N-O 3.13Å; E1497-S1511 PolarHBondContact N-OG 2.94Å; E1497-S1511 PolarHBondContact O-N 2.87Å |
| 1498 | K | 76.6 | Confident | 67.5 | Low | 127 Ų | 127 | 96.3 Ų | 96.3 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137.6 | 175.5 | -72 | 171 | -175.4 | 167 | 0 | 109.8 | V1495 K1500 | V1495-K1498 HydrophobicContact CB-CG 4.41Å; V1495-K1498 HydrophobicContact CG1-CD 4.21Å; V1495-K1498 HydrophobicContact CG1-CG 3.41Å; V1495-K1498 VanDerWaalsContact CG1-CG 3.41Å; K1498-K1500 PolarHBondContact O-N 3.11Å |
| 1499 | F | 68.6 | Low | 69.6 | Low | 88 Ų | 88 | 89 Ų | 89 | 39% | 0.386 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 140.1 | 165.9 | -82.7 | -82.6 | 0 | 0 | 0 | 109.7 | R1501 Y1508 C1509 R1510 | F1499-R1501 PolarHBondContact O-N 2.81Å; F1499-R1501 VanDerWaalsContact O-N 3.12Å; F1499-Y1508 PolarHBondContact N-O 3Å; F1499-C1509 VanDerWaalsContact CD2-C 3.42Å; F1499-C1509 VanDerWaalsContact CE2-O 3.25Å; F1499-C1509 WeakPolarHBondContact CE2-O 3.27Å; F1499-R1510 HydrophobicContact CD2-CB 4.21Å; F1499-R1510 HydrophobicContact CE2-CB 4.08Å; F1499-R1510 HydrophobicContact CZ-CB 4.31Å |
| 1500 | K | 56.7 | Low | 71.5 | Confident | 144 Ų | 144 | 86.4 Ų | 86.4 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -16.7 | 176.8 | -67.6 | -174.2 | 176.6 | -174.5 | 0 | 113.4 | D1052 K1498 | D1052-K1500 IonicContact OD1-NZ 3.04Å; D1052-K1500 PolarHBondContact OD1-NZ 3.36Å; D1052-K1500 IonicContact OD2-NZ 3.28Å; D1052-K1500 PolarHBondContact OD2-NZ 3.14Å; K1498-K1500 PolarHBondContact O-N 3.11Å |
| 1501 | R | 60.6 | Low | 73.7 | Confident | 136 Ų | 136 | 80.7 Ų | 80.7 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.1 | -178.1 | -64 | 177.5 | 178.6 | 166.3 | -7.9 | 111 | T1053 F1499 | T1053-R1501 PolarHBondContact OG1-NH2 2.76Å; F1499-R1501 PolarHBondContact O-N 2.81Å; F1499-R1501 VanDerWaalsContact O-N 3.12Å |
| 1502 | R | 60 | Low | 75.4 | Confident | 189 Ų | 189 | 78.5 Ų | 78.5 | 71% | 0.713 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 132.4 | 162 | -64.4 | -173.3 | -177.4 | 97.3 | -0.6 | 108.3 | T1507 | R1502-T1507 PolarHBondContact NE-OG1 2.97Å |
| 1503 | K | 57.8 | Low | 76.1 | Confident | 138 Ų | 138 | 77.7 Ų | 77.7 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.3 | 173.7 | -177.2 | 175.5 | 179.8 | -180 | 0 | 107.3 | G1505 C1506 Y1508 | K1503-G1505 PolarHBondContact O-N 2.8Å; K1503-G1505 VanDerWaalsContact O-N 3.1Å; K1503-C1506 PolarHBondContact O-N 2.83Å; K1503-C1506 VanDerWaalsContact O-N 3.11Å; K1503-Y1508 HydrophobicContact CB-CD2 4.09Å; K1503-Y1508 HydrophobicContact CB-CE2 3.85Å |
| 1504 | Q | 60.2 | Low | 76.3 | Confident | 171 Ų | 171 | 77.5 Ų | 77.5 | 80% | 0.799 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 28.8 | 179.9 | -61.4 | 172.9 | -3.6 | 0 | 0 | 115.5 | C1506 | Q1504-C1506 PolarHBondContact O-N 3.36Å; Q1504-C1506 VanDerWaalsContact O-N 3.16Å |
| 1505 | G | 64.9 | Low | 76.3 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 55% | 0.546 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -19.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1503 | K1503-G1505 PolarHBondContact O-N 2.8Å; K1503-G1505 VanDerWaalsContact O-N 3.1Å |
| 1506 | C | 68.2 | Low | 76.3 | Confident | 33 Ų | 33 | 77.3 Ų | 77.3 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 142.2 | 171 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | K1503 Q1504 Y1508 | K1503-C1506 PolarHBondContact O-N 2.83Å; K1503-C1506 VanDerWaalsContact O-N 3.11Å; Q1504-C1506 PolarHBondContact O-N 3.36Å; Q1504-C1506 VanDerWaalsContact O-N 3.16Å; C1506-Y1508 HydrophobicContact CB-CD2 4.41Å; C1506-Y1508 HydrophobicContact CB-CE2 3.79Å |
| 1507 | T | 77.9 | Confident | 76.5 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 114.7 | 175.4 | -63.1 | 0 | 0 | 0 | 0 | 109.1 | R1502 W1546 | R1502-T1507 PolarHBondContact NE-OG1 2.97Å; T1507-W1546 HydrophobicContact CG2-CE3 4.33Å; T1507-W1546 PolarHBondContact O-N 3.46Å |
| 1508 | Y | 84.1 | Confident | 76.8 | Confident | 33 Ų | 33 | 72.4 Ų | 72.4 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 142.6 | -178.1 | -78.2 | -73 | 0 | 0 | 0 | 112 | F1499 K1503 C1506 E1543 I1544 R1545 | F1499-Y1508 PolarHBondContact N-O 3Å; K1503-Y1508 HydrophobicContact CB-CD2 4.09Å; K1503-Y1508 HydrophobicContact CB-CE2 3.85Å; C1506-Y1508 HydrophobicContact CB-CD2 4.41Å; C1506-Y1508 HydrophobicContact CB-CE2 3.79Å; Y1508-E1543 HydrophobicContact CD1-CG 3.93Å; Y1508-E1543 HydrophobicContact CE1-CG 3.46Å; Y1508-E1543 VanDerWaalsContact CE1-CG 3.46Å; Y1508-E1543 WeakPolarHBondContact CE1-OE1 3.47Å; Y1508-E1543 PolarHBondContact OH-OE1 3.5Å; Y1508-I1544 WeakPolarHBondContact CD1-O 3.48Å; Y1508-R1545 HydrophobicContact CD1-CB 3.98Å; Y1508-R1545 HydrophobicContact CE1-CB 3.62Å |
| 1509 | C | 85.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.6 | -177.7 | -49.3 | 0 | 0 | 0 | 0 | 109.4 | V1495 E1497 F1499 I1512 I1544 | V1495-C1509 HydrophobicContact CG1-CB 3.76Å; V1495-C1509 WeakPolarHBondContact CG1-SG 3.35Å; E1497-C1509 CarbonylContact O-C 3.5Å; E1497-C1509 WeakPolarHBondContact O-CA 3.23Å; F1499-C1509 VanDerWaalsContact CD2-C 3.42Å; F1499-C1509 VanDerWaalsContact CE2-O 3.25Å; F1499-C1509 WeakPolarHBondContact CE2-O 3.27Å; C1509-I1512 HydrophobicContact CB-CG2 4.3Å; C1509-I1544 HydrophobicContact CB-CB 4.04Å; C1509-I1544 HydrophobicContact CB-CG2 3.77Å; C1509-I1544 PolarHBondContact N-O 2.81Å |
| 1510 | R | 87.7 | Confident | 78.6 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -34.3 | 176.1 | -178.3 | 59.4 | 169.3 | 175 | -0.5 | 111 | N1257 E1497 F1499 V1523 | N1257-R1510 PolarHBondContact ND2-NH2 2.83Å; N1257-R1510 PolarHBondContact OD1-NE 2.95Å; N1257-R1510 PolarHBondContact OD1-NH2 3.25Å; E1497-R1510 HydrophobicContact CB-CB 4.06Å; E1497-R1510 HydrophobicContact CG-CB 3.92Å; E1497-R1510 HydrophobicContact CG-CG 4.39Å; E1497-R1510 PolarHBondContact O-N 3.27Å; E1497-R1510 WeakPolarHBondContact OE2-CG 3.36Å; F1499-R1510 HydrophobicContact CD2-CB 4.21Å; F1499-R1510 HydrophobicContact CE2-CB 4.08Å; F1499-R1510 HydrophobicContact CZ-CB 4.31Å; R1510-V1523 PolarHBondContact O-N 2.9Å |
| 1511 | S | 91 | Very high | 80.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 160.5 | 171.2 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | Y1496 E1497 V1521 | Y1496-S1511 WeakPolarHBondContact CD1-OG 3.24Å; Y1496-S1511 PolarHBondContact N-O 2.85Å; E1497-S1511 WeakPolarHBondContact CB-OG 3.21Å; E1497-S1511 PolarHBondContact N-O 3.12Å; E1497-S1511 VanDerWaalsContact N-O 3.13Å; E1497-S1511 PolarHBondContact N-OG 2.94Å; E1497-S1511 PolarHBondContact O-N 2.87Å; S1511-V1521 CarbonylContact C-O 3.58Å; S1511-V1521 WeakPolarHBondContact CA-O 3.2Å; S1511-V1521 VanDerWaalsContact CB-O 3.27Å; S1511-V1521 WeakPolarHBondContact CB-O 3.43Å |
| 1512 | I | 92.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.5 | 176.3 | 57.4 | 178.9 | 0 | 0 | 0 | 109.1 | W1493 Q1494 C1509 I1520 V1521 I1544 I1553 V1555 A1591 I1594 | W1493-I1512 HydrophobicContact CD2-CD1 4.19Å; W1493-I1512 HydrophobicContact CE3-CB 4.06Å; W1493-I1512 HydrophobicContact CE3-CD1 3.59Å; W1493-I1512 HydrophobicContact CE3-CG1 3.66Å; W1493-I1512 HydrophobicContact CZ3-CD1 3.9Å; W1493-I1512 HydrophobicContact CZ3-CG1 3.81Å; Q1494-I1512 WeakPolarHBondContact O-CA 3.43Å; C1509-I1512 HydrophobicContact CB-CG2 4.3Å; I1512-I1520 WeakPolarHBondContact O-CA 3.5Å; I1512-V1521 HydrophobicContact CG1-CB 4.07Å; I1512-V1521 PolarHBondContact N-O 2.77Å; I1512-V1521 PolarHBondContact O-N 2.92Å; I1512-I1544 HydrophobicContact CD1-CD1 4.42Å; I1512-I1544 HydrophobicContact CD1-CG2 4.44Å; I1512-I1544 HydrophobicContact CG1-CD1 4.22Å; I1512-I1544 HydrophobicContact CG2-CD1 4.43Å; I1512-I1544 HydrophobicContact CG2-CG2 3.78Å; I1512-I1553 HydrophobicContact CD1-CG2 4.2Å; I1512-I1553 HydrophobicContact CG2-CD1 4.05Å; I1512-I1553 HydrophobicContact CG2-CG2 4.03Å; I1512-V1555 HydrophobicContact CD1-CG2 4.12Å; I1512-A1591 HydrophobicContact CD1-CB 3.95Å; I1512-I1594 HydrophobicContact CD1-CD1 4.28Å |
| 1513 | I | 91.9 | Very high | 83.2 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.9 | 175.6 | -169.7 | 167.2 | 0 | 0 | 0 | 108.7 | W1493 Q1494 Y1496 G1518 L1519 I1520 | W1493-I1513 CarbonylContact C-O 3.26Å; W1493-I1513 WeakPolarHBondContact CA-O 3.45Å; Q1494-I1513 HydrophobicContact CB-CG2 3.97Å; Q1494-I1513 PolarHBondContact N-O 3.01Å; Q1494-I1513 PolarHBondContact O-N 3.1Å; Y1496-I1513 HydrophobicContact CD2-CB 4.06Å; Y1496-I1513 HydrophobicContact CD2-CD1 4.08Å; Y1496-I1513 HydrophobicContact CD2-CG2 4.04Å; Y1496-I1513 HydrophobicContact CE2-CD1 4.35Å; Y1496-I1513 HydrophobicContact CG-CB 4.47Å; I1513-G1518 WeakPolarHBondContact CG1-O 3.47Å; I1513-L1519 WeakPolarHBondContact CA-O 3.33Å; I1513-I1520 HydrophobicContact CB-CG1 4.27Å; I1513-I1520 HydrophobicContact CD1-CD1 4.24Å; I1513-I1520 HydrophobicContact CD1-CG1 3.84Å; I1513-I1520 HydrophobicContact CG1-CG1 3.89Å |
| 1514 | R | 90.7 | Very high | 84.7 | Confident | 24 Ų | 24 | 45 Ų | 45 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 134.6 | 171.1 | -177.1 | 160.9 | 67.7 | -174.1 | 4.1 | 109.3 | W1493 D1517 G1518 L1519 I1594 K1595 | W1493-R1514 HydrophobicContact CD2-CB 3.98Å; W1493-R1514 HydrophobicContact CD2-CG 4.47Å; W1493-R1514 HydrophobicContact CE3-CB 3.85Å; W1493-R1514 HydrophobicContact CH2-CB 3.85Å; W1493-R1514 HydrophobicContact CZ2-CB 3.95Å; W1493-R1514 HydrophobicContact CZ2-CG 4.26Å; W1493-R1514 HydrophobicContact CZ3-CB 3.78Å; R1514-D1517 WeakPolarHBondContact CB-OD1 3.38Å; R1514-D1517 WeakPolarHBondContact CG-OD1 3.42Å; R1514-D1517 IonicContact CZ-OD1 3.45Å; R1514-D1517 IonicContact CZ-OD2 3.21Å; R1514-D1517 VanDerWaalsContact NE-CG 3.34Å; R1514-D1517 IonicContact NE-OD1 2.67Å; R1514-D1517 PolarHBondContact NE-OD1 2.7Å; R1514-D1517 IonicContact NE-OD2 3.25Å; R1514-D1517 PolarHBondContact NE-OD2 2.98Å; R1514-D1517 IonicContact NH2-OD1 3.31Å; R1514-D1517 IonicContact NH2-OD2 3.33Å; R1514-D1517 PolarHBondContact NH2-OD2 2.84Å; R1514-G1518 WeakPolarHBondContact O-CA 3.24Å; R1514-G1518 PolarHBondContact O-N 2.78Å; R1514-L1519 HydrophobicContact CB-CB 4.23Å; R1514-L1519 PolarHBondContact N-O 3.09Å; R1514-I1594 PolarHBondContact NH1-O 3.15Å; R1514-K1595 PolarHBondContact NH1-O 2.87Å; R1514-K1595 PolarHBondContact NH2-O 2.88Å |
| 1515 | D | 84.2 | Confident | 86.3 | Confident | 64 Ų | 64 | 37.7 Ų | 37.7 | 34% | 0.342 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -23.3 | -171.4 | -65.1 | -24 | 0 | 0 | 0 | 113.8 | S1492 Q1494 | S1492-D1515 VanDerWaalsContact CB-OD2 3.29Å; S1492-D1515 WeakPolarHBondContact CB-OD2 3.27Å; S1492-D1515 VanDerWaalsContact O-CG 3.29Å; S1492-D1515 PolarHBondContact O-N 2.99Å; S1492-D1515 WeakPolarHBondContact OG-CB 3.46Å; S1492-D1515 PolarHBondContact OG-OD2 3.33Å; Q1494-D1515 WeakPolarHBondContact CG-OD1 3.34Å; Q1494-D1515 WeakPolarHBondContact CG-OD2 3.39Å; Q1494-D1515 PolarHBondContact NE2-OD1 3.27Å; Q1494-D1515 PolarHBondContact NE2-OD2 3.4Å |
| 1516 | V | 83.4 | Confident | 87.6 | Confident | 79 Ų | 79 | 36.2 Ų | 36.2 | 48% | 0.479 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -49.8 | -174.5 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | L1491 | L1491-V1516 HydrophobicContact CD2-CG2 4.06Š|
| 1517 | D | 85.9 | Confident | 88.8 | Confident | 87 Ų | 87 | 34.6 Ų | 34.6 | 47% | 0.465 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -1.8 | -173.4 | 67.1 | -25.7 | 0 | 0 | 0 | 113.4 | R1514 L1519 | R1514-D1517 WeakPolarHBondContact CB-OD1 3.38Å; R1514-D1517 WeakPolarHBondContact CG-OD1 3.42Å; R1514-D1517 IonicContact CZ-OD1 3.45Å; R1514-D1517 IonicContact CZ-OD2 3.21Å; R1514-D1517 VanDerWaalsContact NE-CG 3.34Å; R1514-D1517 IonicContact NE-OD1 2.67Å; R1514-D1517 PolarHBondContact NE-OD1 2.7Å; R1514-D1517 IonicContact NE-OD2 3.25Å; R1514-D1517 PolarHBondContact NE-OD2 2.98Å; R1514-D1517 IonicContact NH2-OD1 3.31Å; R1514-D1517 IonicContact NH2-OD2 3.33Å; R1514-D1517 PolarHBondContact NH2-OD2 2.84Å; D1517-L1519 VanDerWaalsContact C-N 3.27Å; D1517-L1519 PolarHBondContact O-N 2.67Å; D1517-L1519 WeakPolarHBondContact OD1-CB 3.25Å; D1517-L1519 PolarHBondContact OD1-N 3Å; D1517-L1519 VanDerWaalsContact OD1-N 3.12Å; D1517-L1519 VanDerWaalsContact OD2-CB 3.25Å; D1517-L1519 WeakPolarHBondContact OD2-CB 3.42Å |
| 1518 | G | 84.9 | Confident | 89.4 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 39% | 0.392 | 20% | 0.195 | S | C | . | . | trans | 72 | 13.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1513 R1514 I1520 | I1513-G1518 WeakPolarHBondContact CG1-O 3.47Å; R1514-G1518 WeakPolarHBondContact O-CA 3.24Å; R1514-G1518 PolarHBondContact O-N 2.78Å; G1518-I1520 WeakPolarHBondContact O-CG1 3.41Å; G1518-I1520 PolarHBondContact O-N 2.64Å; G1518-I1520 VanDerWaalsContact O-N 3.09Å | ||
| 1519 | L | 90.5 | Very high | 89.7 | Confident | 32 Ų | 32 | 33.3 Ų | 33.3 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | trans | -60.5 | 114.8 | -176.9 | 174.6 | 65.7 | 0 | 0 | 0 | 111.7 | W1493 I1513 R1514 D1517 V1521 I1594 R1597 | W1493-L1519 HydrophobicContact CH2-CD2 4.1Å; W1493-L1519 HydrophobicContact CH2-CG 4.42Å; I1513-L1519 WeakPolarHBondContact CA-O 3.33Å; R1514-L1519 HydrophobicContact CB-CB 4.23Å; R1514-L1519 PolarHBondContact N-O 3.09Å; D1517-L1519 VanDerWaalsContact C-N 3.27Å; D1517-L1519 PolarHBondContact O-N 2.67Å; D1517-L1519 WeakPolarHBondContact OD1-CB 3.25Å; D1517-L1519 PolarHBondContact OD1-N 3Å; D1517-L1519 VanDerWaalsContact OD1-N 3.12Å; D1517-L1519 VanDerWaalsContact OD2-CB 3.25Å; D1517-L1519 WeakPolarHBondContact OD2-CB 3.42Å; L1519-V1521 HydrophobicContact CD2-CG2 4.34Å; L1519-V1521 HydrophobicContact CG-CG2 4.15Å; L1519-I1594 HydrophobicContact CD2-CG2 4.47Å; L1519-R1597 HydrophobicContact CD1-CB 4.2Å | ||
| 1520 | I | 91.1 | Very high | 89.7 | Confident | 54 Ų | 54 | 33.9 Ų | 33.9 | 28% | 0.277 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.9 | 176.1 | -55.7 | 178.7 | 0 | 0 | 0 | 110.2 | Y1496 I1512 I1513 G1518 K1522 | Y1496-I1520 HydrophobicContact CD2-CD1 4.46Å; Y1496-I1520 HydrophobicContact CE2-CD1 4.1Å; I1512-I1520 WeakPolarHBondContact O-CA 3.5Å; I1513-I1520 HydrophobicContact CB-CG1 4.27Å; I1513-I1520 HydrophobicContact CD1-CD1 4.24Å; I1513-I1520 HydrophobicContact CD1-CG1 3.84Å; I1513-I1520 HydrophobicContact CG1-CG1 3.89Å; G1518-I1520 WeakPolarHBondContact O-CG1 3.41Å; G1518-I1520 PolarHBondContact O-N 2.64Å; G1518-I1520 VanDerWaalsContact O-N 3.09Å; I1520-K1522 HydrophobicContact CG2-CG 4.4Å |
| 1521 | V | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.3 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | W1493 S1511 I1512 L1519 V1527 V1541 I1594 | W1493-V1521 HydrophobicContact CH2-CG2 3.84Å; W1493-V1521 HydrophobicContact CZ3-CB 4.42Å; W1493-V1521 HydrophobicContact CZ3-CG2 3.93Å; S1511-V1521 CarbonylContact C-O 3.58Å; S1511-V1521 WeakPolarHBondContact CA-O 3.2Å; S1511-V1521 VanDerWaalsContact CB-O 3.27Å; S1511-V1521 WeakPolarHBondContact CB-O 3.43Å; I1512-V1521 HydrophobicContact CG1-CB 4.07Å; I1512-V1521 PolarHBondContact N-O 2.77Å; I1512-V1521 PolarHBondContact O-N 2.92Å; L1519-V1521 HydrophobicContact CD2-CG2 4.34Å; L1519-V1521 HydrophobicContact CG-CG2 4.15Å; V1521-V1527 HydrophobicContact CG1-CG1 3.78Å; V1521-V1527 HydrophobicContact CG2-CG1 4.31Å; V1521-V1541 HydrophobicContact CG1-CG2 3.97Å; V1521-I1594 HydrophobicContact CG1-CD1 4.32Å; V1521-I1594 HydrophobicContact CG2-CD1 4.43Å; V1521-I1594 HydrophobicContact CG2-CG2 4.23Å |
| 1522 | K | 92.4 | Very high | 88 | Confident | 85 Ų | 85 | 37.2 Ų | 37.2 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 157.2 | 178.2 | -51.2 | -167.1 | 176.9 | -176.3 | 0 | 111.4 | I1520 G1524 D1525 | I1520-K1522 HydrophobicContact CG2-CG 4.4Å; K1522-G1524 PolarHBondContact O-N 2.93Å; K1522-D1525 WeakPolarHBondContact CA-OD2 3.38Å; K1522-D1525 WeakPolarHBondContact CB-OD2 3.38Å; K1522-D1525 PolarHBondContact N-OD2 2.78Å; K1522-D1525 WeakPolarHBondContact O-CB 3Å; K1522-D1525 PolarHBondContact O-N 2.86Å; K1522-D1525 VanDerWaalsContact O-N 3.12Å |
| 1523 | V | 90.6 | Very high | 87 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 126.1 | 167.4 | 174.7 | 0 | 0 | 0 | 0 | 109.8 | R1510 K1542 I1544 | R1510-V1523 PolarHBondContact O-N 2.9Å; V1523-K1542 WeakPolarHBondContact CG1-O 3.29Å; V1523-I1544 HydrophobicContact CG2-CB 4.49Å; V1523-I1544 HydrophobicContact CG2-CD1 3.97Å; V1523-I1544 HydrophobicContact CG2-CG1 3.91Å |
| 1524 | G | 89 | Confident | 86.1 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.8 | -4.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1522 V1541 | K1522-G1524 PolarHBondContact O-N 2.93Å; G1524-V1541 PolarHBondContact N-O 2.77Å |
| 1525 | D | 93.1 | Very high | 85.7 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | trans | -79.6 | 139.8 | 175.4 | -72.1 | -29.7 | 0 | 0 | 0 | 111.8 | K1522 V1527 V1541 R1597 | K1522-D1525 WeakPolarHBondContact CA-OD2 3.38Å; K1522-D1525 WeakPolarHBondContact CB-OD2 3.38Å; K1522-D1525 PolarHBondContact N-OD2 2.78Å; K1522-D1525 WeakPolarHBondContact O-CB 3Å; K1522-D1525 PolarHBondContact O-N 2.86Å; K1522-D1525 VanDerWaalsContact O-N 3.12Å; D1525-V1527 HydrophobicContact CB-CG1 4.34Å; D1525-V1541 PolarHBondContact O-N 3.3Å; D1525-R1597 IonicContact OD1-CZ 3.09Å; D1525-R1597 VanDerWaalsContact OD1-CZ 3.27Å; D1525-R1597 IonicContact OD1-NE 3.85Å; D1525-R1597 PolarHBondContact OD1-NE 2.82Å; D1525-R1597 IonicContact OD1-NH2 3.96Å; D1525-R1597 PolarHBondContact OD1-NH2 3.22Å; D1525-R1597 IonicContact OD2-CZ 3.1Å; D1525-R1597 IonicContact OD2-NE 3.45Å; D1525-R1597 PolarHBondContact OD2-NE 3.3Å; D1525-R1597 IonicContact OD2-NH2 3.5Å | ||
| 1526 | C | 92.8 | Very high | 85.7 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 14% | 0.142 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 130.9 | 165.8 | -52.7 | 0 | 0 | 0 | 0 | 109.3 | G1539 Y1560 I1598 I1600 | C1526-G1539 WeakPolarHBondContact CA-O 3.41Å; C1526-Y1560 HydrophobicContact CB-CE2 4.38Å; C1526-Y1560 PolarHBondContact SG-OH 2.86Å; C1526-I1598 HydrophobicContact CB-CG2 4.1Å; C1526-I1598 WeakPolarHBondContact CB-O 3.37Å; C1526-I1598 PolarHBondContact O-N 2.89Å; C1526-I1598 VanDerWaalsContact O-O 3.13Å; C1526-I1600 HydrophobicContact CB-CD1 3.74Å; C1526-I1600 HydrophobicContact CB-CG1 3.94Å |
| 1527 | V | 92.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 158.6 | -178.1 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | V1521 D1525 F1529 G1539 V1541 I1594 R1596 | V1521-V1527 HydrophobicContact CG1-CG1 3.78Å; V1521-V1527 HydrophobicContact CG2-CG1 4.31Å; D1525-V1527 HydrophobicContact CB-CG1 4.34Å; V1527-F1529 HydrophobicContact CG2-CD2 3.93Å; V1527-F1529 HydrophobicContact CG2-CE1 4.17Å; V1527-F1529 HydrophobicContact CG2-CE2 3.27Å; V1527-F1529 HydrophobicContact CG2-CZ 3.4Å; V1527-F1529 VanDerWaalsContact CG2-CZ 3.4Å; V1527-G1539 PolarHBondContact N-O 3.04Å; V1527-G1539 PolarHBondContact O-N 3.32Å; V1527-G1539 VanDerWaalsContact O-N 3.1Å; V1527-V1541 HydrophobicContact CG1-CG2 4.09Å; V1527-V1541 HydrophobicContact CG2-CG2 3.68Å; V1527-I1594 HydrophobicContact CB-CG2 4.07Å; V1527-I1594 HydrophobicContact CG1-CG2 4.42Å; V1527-I1594 HydrophobicContact CG2-CG1 4.17Å; V1527-I1594 HydrophobicContact CG2-CG2 4.28Å; V1527-R1596 WeakPolarHBondContact CA-O 3.47Å |
| 1528 | Q | 90.6 | Very high | 86.3 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.3 | 175.2 | -168.2 | -178.5 | -46.3 | 0 | 0 | 109.6 | I1536 L1538 K1595 R1596 | Q1528-I1536 VanDerWaalsContact CD-CG2 3.45Å; Q1528-I1536 HydrophobicContact CG-CG2 3.41Å; Q1528-I1536 VanDerWaalsContact CG-CG2 3.41Å; Q1528-L1538 HydrophobicContact CB-CD2 4.26Å; Q1528-L1538 HydrophobicContact CG-CD2 4.2Å; Q1528-K1595 PolarHBondContact O-N 3.28Å; Q1528-R1596 HydrophobicContact CB-CG 4.02Å; Q1528-R1596 PolarHBondContact N-O 2.96Å; Q1528-R1596 VanDerWaalsContact OE1-CZ 3.27Å |
| 1529 | F | 91.9 | Very high | 86.7 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 138.7 | 175.5 | -65.4 | -89.4 | 0 | 0 | 0 | 110.9 | V1527 Y1537 V1541 V1555 A1557 W1559 N1589 C1593 I1594 | V1527-F1529 HydrophobicContact CG2-CD2 3.93Å; V1527-F1529 HydrophobicContact CG2-CE1 4.17Å; V1527-F1529 HydrophobicContact CG2-CE2 3.27Å; V1527-F1529 HydrophobicContact CG2-CZ 3.4Å; V1527-F1529 VanDerWaalsContact CG2-CZ 3.4Å; F1529-Y1537 PolarHBondContact N-O 2.91Å; F1529-Y1537 PolarHBondContact O-N 3.46Å; F1529-V1541 HydrophobicContact CZ-CG2 4.4Å; F1529-V1555 HydrophobicContact CE1-CG1 4.43Å; F1529-V1555 HydrophobicContact CZ-CG1 4.29Å; F1529-A1557 HydrophobicContact CD2-CB 4.46Å; F1529-A1557 HydrophobicContact CE1-CB 4.36Å; F1529-A1557 HydrophobicContact CE2-CB 3.62Å; F1529-A1557 HydrophobicContact CZ-CB 3.57Å; F1529-W1559 HydrophobicContact CB-CH2 3.88Å; F1529-W1559 HydrophobicContact CB-CZ3 3.91Å; F1529-W1559 HydrophobicContact CD1-CH2 4.48Å; F1529-W1559 HydrophobicContact CD2-CE3 4.44Å; F1529-W1559 AromaticContact CD2-CH2 3.89Å; F1529-W1559 HydrophobicContact CD2-CH2 3.89Å; F1529-W1559 AromaticContact CD2-CZ3 3.47Å; F1529-W1559 HydrophobicContact CD2-CZ3 3.47Å; F1529-W1559 VanDerWaalsContact CD2-CZ3 3.47Å; F1529-W1559 HydrophobicContact CE2-CZ3 4.18Å; F1529-W1559 AromaticContact CG-CH2 3.84Å; F1529-W1559 HydrophobicContact CG-CH2 3.84Å; F1529-W1559 AromaticContact CG-CZ3 3.85Å; F1529-W1559 HydrophobicContact CG-CZ3 3.85Å; F1529-N1589 HydrophobicContact CD1-CB 4.4Å; F1529-N1589 HydrophobicContact CE1-CB 4.25Å; F1529-C1593 CarbonylContact C-O 3.54Å; F1529-C1593 VanDerWaalsContact CA-O 3.24Å; F1529-C1593 WeakPolarHBondContact CA-O 3.44Å; F1529-C1593 HydrophobicContact CD1-CB 4.06Å; F1529-I1594 HydrophobicContact CD1-CG1 4.07Å; F1529-I1594 HydrophobicContact CE1-CD1 4.47Å; F1529-I1594 HydrophobicContact CE1-CG1 3.65Å; F1529-I1594 HydrophobicContact CZ-CG1 4.29Å |
| 1530 | G | 85.9 | Confident | 86.8 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G1532 C1593 | G1530-G1532 VanDerWaalsContact C-N 3.3Å; G1530-C1593 PolarHBondContact N-O 3.12Å |
| 1531 | S | 74.9 | Confident | 87 | Confident | 60 Ų | 60 | 48 Ų | 48 | 42% | 0.42 | 26% | 0.264 | S | S | . | . | trans | -76.3 | -17.5 | 174 | 153.3 | 0 | 0 | 0 | 0 | 112.9 | E1535 | S1531-E1535 PolarHBondContact N-O 3.05Å; S1531-E1535 PolarHBondContact OG-OE2 3.16Å; S1531-E1535 VanDerWaalsContact OG-OE2 3.06Å | ||
| 1532 | G | 66.4 | Low | 87 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 77% | 0.773 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 91.7 | -7.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1530 | G1530-G1532 VanDerWaalsContact C-N 3.3Š|
| 1533 | R | 71.4 | Confident | 87 | Confident | 202 Ų | 202 | 51.6 Ų | 51.6 | 76% | 0.762 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -107.7 | 40.5 | 176.1 | -66 | -176.9 | 172.4 | 154.9 | -2.4 | 113.2 | E1535 | R1533-E1535 PolarHBondContact O-N 3.13Š|
| 1534 | N | 73.7 | Confident | 87 | Confident | 141 Ų | 141 | 50 Ų | 50 | 75% | 0.754 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 55.5 | -10.6 | -168.7 | -69.4 | -0.9 | 0 | 0 | 0 | 116.8 | ||
| 1535 | E | 81.5 | Confident | 87 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | trans | -66.1 | 141.8 | 173.8 | -66.2 | 162.3 | 155 | 0 | 0 | 112.4 | S1531 R1533 Y1537 | S1531-E1535 PolarHBondContact N-O 3.05Å; S1531-E1535 PolarHBondContact OG-OE2 3.16Å; S1531-E1535 VanDerWaalsContact OG-OE2 3.06Å; R1533-E1535 PolarHBondContact O-N 3.13Å; E1535-Y1537 HydrophobicContact CB-CD2 4.49Å; E1535-Y1537 HydrophobicContact CB-CE2 3.68Å | ||
| 1536 | I | 85.8 | Confident | 86.4 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121 | -173.1 | -74 | 166.4 | 0 | 0 | 0 | 108.9 | Q1528 | Q1528-I1536 VanDerWaalsContact CD-CG2 3.45Å; Q1528-I1536 HydrophobicContact CG-CG2 3.41Å; Q1528-I1536 VanDerWaalsContact CG-CG2 3.41Å |
| 1537 | Y | 90.3 | Very high | 85.9 | Confident | 84 Ų | 84 | 53 Ų | 53 | 33% | 0.329 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143 | 178.6 | -64 | -83.2 | 0 | 0 | 0 | 110.5 | F1529 E1535 W1559 | F1529-Y1537 PolarHBondContact N-O 2.91Å; F1529-Y1537 PolarHBondContact O-N 3.46Å; E1535-Y1537 HydrophobicContact CB-CD2 4.49Å; E1535-Y1537 HydrophobicContact CB-CE2 3.68Å; Y1537-W1559 VanDerWaalsContact CB-CZ3 3.45Å; Y1537-W1559 HydrophobicContact CG-CZ3 4.47Å |
| 1538 | L | 91.2 | Very high | 85 | Confident | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.8 | 179.6 | -65.2 | 175.6 | 0 | 0 | 0 | 109.6 | Q1528 Y1560 L1580 I1598 Y1715 | Q1528-L1538 HydrophobicContact CB-CD2 4.26Å; Q1528-L1538 HydrophobicContact CG-CD2 4.2Å; L1538-Y1560 HydrophobicContact CB-CD2 4.2Å; L1538-Y1560 PolarHBondContact O-N 3.22Å; L1538-L1580 HydrophobicContact CD1-CD1 3.65Å; L1538-L1580 HydrophobicContact CD1-CD2 4.2Å; L1538-I1598 HydrophobicContact CD2-CG2 4.3Å; L1538-Y1715 HydrophobicContact CD1-CD1 4.12Å; L1538-Y1715 HydrophobicContact CD1-CD2 4.18Å; L1538-Y1715 HydrophobicContact CD1-CE1 3.95Å; L1538-Y1715 HydrophobicContact CD1-CE2 4.01Å; L1538-Y1715 HydrophobicContact CD1-CG 4.24Å |
| 1539 | G | 92.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 156.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1526 V1527 A1558 | C1526-G1539 WeakPolarHBondContact CA-O 3.41Å; V1527-G1539 PolarHBondContact N-O 3.04Å; V1527-G1539 PolarHBondContact O-N 3.32Å; V1527-G1539 VanDerWaalsContact O-N 3.1Å; G1539-A1558 CarbonylContact C-O 3.56Å; G1539-A1558 WeakPolarHBondContact CA-O 3.46Å |
| 1540 | E | 94 | Very high | 83.5 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 21% | 0.21 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.5 | 171.5 | -163.1 | -161.9 | 131.1 | 0 | 0 | 109.9 | K1542 A1557 A1558 Y1560 | E1540-K1542 VanDerWaalsContact CD-CE 3.49Å; E1540-K1542 PolarHBondContact O-N 2.98Å; E1540-K1542 VanDerWaalsContact O-N 3.15Å; E1540-K1542 WeakPolarHBondContact OE1-CE 3.43Å; E1540-K1542 IonicContact OE1-NZ 4Å; E1540-K1542 PolarHBondContact OE1-NZ 2.97Å; E1540-K1542 WeakPolarHBondContact OE2-CE 3.5Å; E1540-K1542 IonicContact OE2-NZ 2.85Å; E1540-K1542 PolarHBondContact OE2-NZ 2.94Å; E1540-A1557 WeakPolarHBondContact O-CA 3.41Å; E1540-A1558 PolarHBondContact N-O 2.89Å; E1540-A1558 PolarHBondContact O-N 3.12Å; E1540-Y1560 HydrophobicContact CB-CE2 4.09Å |
| 1541 | V | 94.3 | Very high | 83 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 104.1 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | V1521 G1524 D1525 V1527 F1529 I1544 V1555 | V1521-V1541 HydrophobicContact CG1-CG2 3.97Å; G1524-V1541 PolarHBondContact N-O 2.77Å; D1525-V1541 PolarHBondContact O-N 3.3Å; V1527-V1541 HydrophobicContact CG1-CG2 4.09Å; V1527-V1541 HydrophobicContact CG2-CG2 3.68Å; F1529-V1541 HydrophobicContact CZ-CG2 4.4Å; V1541-I1544 HydrophobicContact CG1-CD1 3.95Å; V1541-I1544 HydrophobicContact CG1-CG1 3.6Å; V1541-V1555 HydrophobicContact CB-CG1 4.29Å; V1541-V1555 HydrophobicContact CG1-CG1 3.65Å; V1541-V1555 HydrophobicContact CG2-CG1 3.85Å |
| 1542 | K | 92.9 | Very high | 83.3 | Confident | 86 Ų | 86 | 78.8 Ų | 78.8 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -34.6 | -179 | -65.1 | -60.8 | -179.2 | -176.5 | 0 | 113.8 | V1523 E1540 V1556 A1558 | V1523-K1542 WeakPolarHBondContact CG1-O 3.29Å; E1540-K1542 VanDerWaalsContact CD-CE 3.49Å; E1540-K1542 PolarHBondContact O-N 2.98Å; E1540-K1542 VanDerWaalsContact O-N 3.15Å; E1540-K1542 WeakPolarHBondContact OE1-CE 3.43Å; E1540-K1542 IonicContact OE1-NZ 4Å; E1540-K1542 PolarHBondContact OE1-NZ 2.97Å; E1540-K1542 WeakPolarHBondContact OE2-CE 3.5Å; E1540-K1542 IonicContact OE2-NZ 2.85Å; E1540-K1542 PolarHBondContact OE2-NZ 2.94Å; K1542-V1556 PolarHBondContact N-O 3.09Å; K1542-A1558 HydrophobicContact CD-CB 4.25Å; K1542-A1558 HydrophobicContact CG-CB 3.65Å |
| 1543 | E | 91.1 | Very high | 84.4 | Confident | 75 Ų | 75 | 75.8 Ų | 75.8 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 140.2 | -175 | -178.8 | 171.5 | 129.4 | 0 | 0 | 109.9 | Y1508 V1556 | Y1508-E1543 HydrophobicContact CD1-CG 3.93Å; Y1508-E1543 HydrophobicContact CE1-CG 3.46Å; Y1508-E1543 VanDerWaalsContact CE1-CG 3.46Å; Y1508-E1543 WeakPolarHBondContact CE1-OE1 3.47Å; Y1508-E1543 PolarHBondContact OH-OE1 3.5Å; E1543-V1556 HydrophobicContact CB-CB 3.93Å; E1543-V1556 HydrophobicContact CB-CG2 3.84Å; E1543-V1556 HydrophobicContact CG-CG2 4.27Å; E1543-V1556 PolarHBondContact N-O 3.43Å; E1543-V1556 PolarHBondContact O-N 3.07Å |
| 1544 | I | 91.7 | Very high | 85.3 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123 | 174.5 | -52.3 | 170.3 | 0 | 0 | 0 | 108.4 | Y1508 C1509 I1512 V1523 V1541 I1553 V1555 | Y1508-I1544 WeakPolarHBondContact CD1-O 3.48Å; C1509-I1544 HydrophobicContact CB-CB 4.04Å; C1509-I1544 HydrophobicContact CB-CG2 3.77Å; C1509-I1544 PolarHBondContact N-O 2.81Å; I1512-I1544 HydrophobicContact CD1-CD1 4.42Å; I1512-I1544 HydrophobicContact CD1-CG2 4.44Å; I1512-I1544 HydrophobicContact CG1-CD1 4.22Å; I1512-I1544 HydrophobicContact CG2-CD1 4.43Å; I1512-I1544 HydrophobicContact CG2-CG2 3.78Å; V1523-I1544 HydrophobicContact CG2-CB 4.49Å; V1523-I1544 HydrophobicContact CG2-CD1 3.97Å; V1523-I1544 HydrophobicContact CG2-CG1 3.91Å; V1541-I1544 HydrophobicContact CG1-CD1 3.95Å; V1541-I1544 HydrophobicContact CG1-CG1 3.6Å; I1544-I1553 HydrophobicContact CG2-CG2 3.7Å; I1544-V1555 HydrophobicContact CG2-CG2 4.41Å |
| 1545 | R | 87.6 | Confident | 86.2 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.1 | -175.1 | 67.5 | -166.3 | -158.3 | 75.8 | -2.8 | 111.7 | Y1508 E1547 I1554 E1588 | Y1508-R1545 HydrophobicContact CD1-CB 3.98Å; Y1508-R1545 HydrophobicContact CE1-CB 3.62Å; R1545-E1547 IonicContact CZ-OE2 3.17Å; R1545-E1547 IonicContact NH1-OE2 3.93Å; R1545-E1547 PolarHBondContact NH1-OE2 3.36Å; R1545-E1547 IonicContact NH2-OE2 2.8Å; R1545-I1554 HydrophobicContact CG-CB 3.87Å; R1545-I1554 HydrophobicContact CG-CG2 4.18Å; R1545-I1554 PolarHBondContact N-O 2.93Å; R1545-I1554 PolarHBondContact O-N 3.04Å; R1545-E1588 IonicContact CZ-OE1 3.16Å; R1545-E1588 IonicContact CZ-OE2 2.8Å; R1545-E1588 IonicContact NE-OE1 2.74Å; R1545-E1588 PolarHBondContact NE-OE1 2.79Å; R1545-E1588 IonicContact NE-OE2 3.3Å; R1545-E1588 IonicContact NH2-OE1 3.02Å; R1545-E1588 PolarHBondContact NH2-OE1 3.46Å; R1545-E1588 IonicContact NH2-OE2 3.39Å; R1545-E1588 PolarHBondContact NH2-OE2 3.34Å |
| 1546 | W | 82 | Confident | 86.7 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 33% | 0.326 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 114.9 | 171.6 | 178.8 | 44.4 | 0 | 0 | 0 | 109.6 | T1507 Q1548 | T1507-W1546 HydrophobicContact CG2-CE3 4.33Å; T1507-W1546 PolarHBondContact O-N 3.46Å; W1546-Q1548 HydrophobicContact CZ3-CG 4.48Å |
| 1547 | E | 81.3 | Confident | 87.1 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 105.9 | -178.8 | -179.3 | 57.1 | -121.2 | 0 | 0 | 109.9 | R1545 K1549 R1550 N1551 S1552 I1554 | R1545-E1547 IonicContact CZ-OE2 3.17Å; R1545-E1547 IonicContact NH1-OE2 3.93Å; R1545-E1547 PolarHBondContact NH1-OE2 3.36Å; R1545-E1547 IonicContact NH2-OE2 2.8Å; E1547-K1549 HydrophobicContact CG-CB 4.34Å; E1547-K1549 PolarHBondContact O-N 2.77Å; E1547-K1549 WeakPolarHBondContact OE1-CB 3.26Å; E1547-K1549 WeakPolarHBondContact OE1-CD 3.29Å; E1547-K1549 WeakPolarHBondContact OE1-CG 3.07Å; E1547-K1549 PolarHBondContact OE1-N 2.64Å; E1547-R1550 HydrophobicContact CG-CB 4.47Å; E1547-R1550 HydrophobicContact CG-CG 4.43Å; E1547-R1550 PolarHBondContact O-N 3.09Å; E1547-N1551 PolarHBondContact O-N 3.18Å; E1547-S1552 PolarHBondContact N-O 2.86Å; E1547-S1552 PolarHBondContact O-N 3.47Å; E1547-I1554 HydrophobicContact CB-CG1 3.8Å |
| 1548 | Q | 73.9 | Confident | 87.3 | Confident | 125 Ų | 125 | 49.1 Ų | 49.1 | 58% | 0.584 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.8 | -176.2 | -67.9 | 179.2 | -8 | 0 | 0 | 112.8 | W1546 N1551 | W1546-Q1548 HydrophobicContact CZ3-CG 4.48Å; Q1548-N1551 PolarHBondContact O-N 3.33Å |
| 1549 | K | 76.6 | Confident | 87.4 | Confident | 193 Ų | 193 | 49.9 Ų | 49.9 | 84% | 0.839 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -35.9 | -178.5 | -64.2 | 173.2 | -173.3 | 167 | 0 | 113.5 | E1547 | E1547-K1549 HydrophobicContact CG-CB 4.34Å; E1547-K1549 PolarHBondContact O-N 2.77Å; E1547-K1549 WeakPolarHBondContact OE1-CB 3.26Å; E1547-K1549 WeakPolarHBondContact OE1-CD 3.29Å; E1547-K1549 WeakPolarHBondContact OE1-CG 3.07Å; E1547-K1549 PolarHBondContact OE1-N 2.64Å |
| 1550 | R | 73.8 | Confident | 87.4 | Confident | 152 Ų | 152 | 50.6 Ų | 50.6 | 57% | 0.574 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -8.2 | 177.8 | -64.8 | -174.7 | -174.9 | 153.5 | 3.4 | 112.6 | E1547 S1552 | E1547-R1550 HydrophobicContact CG-CB 4.47Å; E1547-R1550 HydrophobicContact CG-CG 4.43Å; E1547-R1550 PolarHBondContact O-N 3.09Å; R1550-S1552 PolarHBondContact O-N 3.45Å |
| 1551 | N | 75.6 | Confident | 87.3 | Confident | 126 Ų | 126 | 50.7 Ų | 50.7 | 67% | 0.674 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 35.9 | -167.2 | -167.3 | 46.3 | 0 | 0 | 0 | 112.9 | E1547 Q1548 | E1547-N1551 PolarHBondContact O-N 3.18Å; Q1548-N1551 PolarHBondContact O-N 3.33Å |
| 1552 | S | 82.6 | Confident | 86.9 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 24% | 0.238 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 157.5 | -173.3 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | E1547 R1550 | E1547-S1552 PolarHBondContact N-O 2.86Å; E1547-S1552 PolarHBondContact O-N 3.47Å; R1550-S1552 PolarHBondContact O-N 3.45Å |
| 1553 | I | 88.9 | Confident | 86.5 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.1 | 176.6 | -61.8 | -179.7 | 0 | 0 | 0 | 108 | W1493 V1495 I1512 I1544 V1555 A1591 | W1493-I1553 HydrophobicContact CB-CD1 3.93Å; W1493-I1553 VanDerWaalsContact O-CD1 3.27Å; W1493-I1553 WeakPolarHBondContact O-CD1 3.44Å; V1495-I1553 HydrophobicContact CG2-CD1 3.68Å; V1495-I1553 HydrophobicContact CG2-CG1 4.3Å; I1512-I1553 HydrophobicContact CD1-CG2 4.2Å; I1512-I1553 HydrophobicContact CG2-CD1 4.05Å; I1512-I1553 HydrophobicContact CG2-CG2 4.03Å; I1544-I1553 HydrophobicContact CG2-CG2 3.7Å; I1553-V1555 HydrophobicContact CG2-CG2 4.49Å; I1553-A1591 HydrophobicContact CB-CB 3.91Å; I1553-A1591 HydrophobicContact CG2-CB 3.87Å; I1553-A1591 PolarHBondContact O-N 3.04Å |
| 1554 | I | 89.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.4 | 177.7 | -56.7 | -57.6 | 0 | 0 | 0 | 108.9 | R1545 E1547 E1588 N1589 E1590 | R1545-I1554 HydrophobicContact CG-CB 3.87Å; R1545-I1554 HydrophobicContact CG-CG2 4.18Å; R1545-I1554 PolarHBondContact N-O 2.93Å; R1545-I1554 PolarHBondContact O-N 3.04Å; E1547-I1554 HydrophobicContact CB-CG1 3.8Å; I1554-E1588 HydrophobicContact CG2-CB 3.81Å; I1554-E1588 HydrophobicContact CG2-CG 4.38Å; I1554-N1589 CarbonylContact C-O 3.58Å; I1554-N1589 WeakPolarHBondContact CA-O 3.31Å; I1554-E1590 HydrophobicContact CD1-CG 4.03Å |
| 1555 | V | 92.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.3 | -176.9 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | I1512 F1529 V1541 I1544 I1553 A1557 N1589 A1591 I1594 | I1512-V1555 HydrophobicContact CD1-CG2 4.12Å; F1529-V1555 HydrophobicContact CE1-CG1 4.43Å; F1529-V1555 HydrophobicContact CZ-CG1 4.29Å; V1541-V1555 HydrophobicContact CB-CG1 4.29Å; V1541-V1555 HydrophobicContact CG1-CG1 3.65Å; V1541-V1555 HydrophobicContact CG2-CG1 3.85Å; I1544-V1555 HydrophobicContact CG2-CG2 4.41Å; I1553-V1555 HydrophobicContact CG2-CG2 4.49Å; V1555-A1557 PolarHBondContact O-N 3.34Å; V1555-N1589 PolarHBondContact N-O 2.89Å; V1555-N1589 PolarHBondContact O-N 3.17Å; V1555-A1591 HydrophobicContact CG2-CB 4.02Å; V1555-I1594 HydrophobicContact CG1-CD1 4.42Å; V1555-I1594 HydrophobicContact CG2-CD1 4.12Å |
| 1556 | V | 93.4 | Very high | 85.5 | Confident | 19 Ų | 19 | 56.7 Ų | 56.7 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 110.1 | 174 | -170.3 | 0 | 0 | 0 | 0 | 108.2 | K1542 E1543 K1586 D1587 E1588 | K1542-V1556 PolarHBondContact N-O 3.09Å; E1543-V1556 HydrophobicContact CB-CB 3.93Å; E1543-V1556 HydrophobicContact CB-CG2 3.84Å; E1543-V1556 HydrophobicContact CG-CG2 4.27Å; E1543-V1556 PolarHBondContact N-O 3.43Å; E1543-V1556 PolarHBondContact O-N 3.07Å; V1556-K1586 HydrophobicContact CG1-CB 4.24Å; V1556-D1587 WeakPolarHBondContact CA-O 3.43Å; V1556-E1588 HydrophobicContact CG2-CG 4.4Å |
| 1557 | A | 93.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 140.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F1529 E1540 V1555 W1559 K1586 D1587 | F1529-A1557 HydrophobicContact CD2-CB 4.46Å; F1529-A1557 HydrophobicContact CE1-CB 4.36Å; F1529-A1557 HydrophobicContact CE2-CB 3.62Å; F1529-A1557 HydrophobicContact CZ-CB 3.57Å; E1540-A1557 WeakPolarHBondContact O-CA 3.41Å; V1555-A1557 PolarHBondContact O-N 3.34Å; A1557-W1559 HydrophobicContact CB-CD2 4.48Å; A1557-W1559 HydrophobicContact CB-CH2 4.42Å; A1557-W1559 HydrophobicContact CB-CZ2 4.38Å; A1557-W1559 HydrophobicContact CB-CZ3 4.49Å; A1557-K1586 WeakPolarHBondContact O-CA 3.41Å; A1557-D1587 PolarHBondContact N-O 2.84Å; A1557-D1587 PolarHBondContact O-N 2.84Å; A1557-D1587 VanDerWaalsContact O-N 3.16Å |
| 1558 | A | 93.7 | Very high | 85.4 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.8 | 160 | 0 | 0 | 0 | 0 | 0 | 108.6 | G1539 E1540 K1542 H1585 K1586 | G1539-A1558 CarbonylContact C-O 3.56Å; G1539-A1558 WeakPolarHBondContact CA-O 3.46Å; E1540-A1558 PolarHBondContact N-O 2.89Å; E1540-A1558 PolarHBondContact O-N 3.12Å; K1542-A1558 HydrophobicContact CD-CB 4.25Å; K1542-A1558 HydrophobicContact CG-CB 3.65Å; A1558-H1585 WeakPolarHBondContact CA-O 3.16Å; A1558-K1586 HydrophobicContact CB-CG 4.06Å |
| 1559 | W | 94.1 | Very high | 85.7 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 10% | 0.095 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 139.1 | -166.9 | -65.2 | 118.2 | 0 | 0 | 0 | 113.8 | F1529 Y1537 A1557 Y1561 T1583 H1585 D1587 N1589 | F1529-W1559 HydrophobicContact CB-CH2 3.88Å; F1529-W1559 HydrophobicContact CB-CZ3 3.91Å; F1529-W1559 HydrophobicContact CD1-CH2 4.48Å; F1529-W1559 HydrophobicContact CD2-CE3 4.44Å; F1529-W1559 AromaticContact CD2-CH2 3.89Å; F1529-W1559 HydrophobicContact CD2-CH2 3.89Å; F1529-W1559 AromaticContact CD2-CZ3 3.47Å; F1529-W1559 HydrophobicContact CD2-CZ3 3.47Å; F1529-W1559 VanDerWaalsContact CD2-CZ3 3.47Å; F1529-W1559 HydrophobicContact CE2-CZ3 4.18Å; F1529-W1559 AromaticContact CG-CH2 3.84Å; F1529-W1559 HydrophobicContact CG-CH2 3.84Å; F1529-W1559 AromaticContact CG-CZ3 3.85Å; F1529-W1559 HydrophobicContact CG-CZ3 3.85Å; Y1537-W1559 VanDerWaalsContact CB-CZ3 3.45Å; Y1537-W1559 HydrophobicContact CG-CZ3 4.47Å; A1557-W1559 HydrophobicContact CB-CD2 4.48Å; A1557-W1559 HydrophobicContact CB-CH2 4.42Å; A1557-W1559 HydrophobicContact CB-CZ2 4.38Å; A1557-W1559 HydrophobicContact CB-CZ3 4.49Å; W1559-Y1561 HydrophobicContact CB-CD2 4.28Å; W1559-Y1561 HydrophobicContact CB-CE2 3.91Å; W1559-T1583 PolarHBondContact O-N 2.94Å; W1559-T1583 PolarHBondContact O-OG1 3.25Å; W1559-H1585 AromaticContact CD1-CE1 3.75Å; W1559-H1585 AromaticContact CD1-CG 3.8Å; W1559-H1585 AromaticContact CD1-ND1 3.42Å; W1559-H1585 PolarHBondContact N-O 2.8Å; W1559-H1585 VanDerWaalsContact N-O 3.11Å; W1559-D1587 HydrophobicContact CZ2-CB 4.39Å; W1559-D1587 PolarHBondContact NE1-OD2 2.7Å; W1559-N1589 VanDerWaalsContact CZ2-ND2 3.33Å; W1559-N1589 WeakPolarHBondContact CZ2-ND2 3.43Å |
| 1560 | Y | 93.2 | Very high | 85.9 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.3 | 164.7 | -62.7 | -72.6 | 0 | 0 | 0 | 109.7 | C1526 L1538 E1540 L1580 F1581 T1582 I1600 I1717 | C1526-Y1560 HydrophobicContact CB-CE2 4.38Å; C1526-Y1560 PolarHBondContact SG-OH 2.86Å; L1538-Y1560 HydrophobicContact CB-CD2 4.2Å; L1538-Y1560 PolarHBondContact O-N 3.22Å; E1540-Y1560 HydrophobicContact CB-CE2 4.09Å; Y1560-L1580 HydrophobicContact CG-CD1 4.38Å; Y1560-F1581 CarbonylContact C-O 3.59Å; Y1560-F1581 VanDerWaalsContact CA-O 3.31Å; Y1560-F1581 WeakPolarHBondContact CA-O 3.33Å; Y1560-T1582 HydrophobicContact CD1-CG2 4Å; Y1560-T1582 HydrophobicContact CE1-CG2 3.6Å; Y1560-I1600 HydrophobicContact CD2-CD1 3.79Å; Y1560-I1600 HydrophobicContact CE2-CD1 3.6Å; Y1560-I1600 HydrophobicContact CG-CD1 4.48Å; Y1560-I1717 HydrophobicContact CE1-CD1 3.98Å; Y1560-I1717 HydrophobicContact CE1-CG1 4.01Å |
| 1561 | Y | 90.1 | Very high | 86.2 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 18% | 0.184 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 140.7 | 178.8 | -82.3 | -120.1 | 0 | 0 | 0 | 110.2 | W1559 E1565 L1580 F1581 T1583 H1585 Y1721 P1723 | W1559-Y1561 HydrophobicContact CB-CD2 4.28Å; W1559-Y1561 HydrophobicContact CB-CE2 3.91Å; Y1561-E1565 WeakPolarHBondContact CA-OE2 3.24Å; Y1561-E1565 HydrophobicContact CD1-CB 3.72Å; Y1561-E1565 HydrophobicContact CG-CB 4.48Å; Y1561-L1580 WeakPolarHBondContact O-CA 3.18Å; Y1561-F1581 PolarHBondContact N-O 2.84Å; Y1561-F1581 PolarHBondContact O-N 2.74Å; Y1561-T1583 HydrophobicContact CD2-CG2 3.29Å; Y1561-T1583 HydrophobicContact CE2-CG2 3.75Å; Y1561-T1583 HydrophobicContact CG-CG2 3.87Å; Y1561-H1585 HydrophobicContact CE2-CB 4.39Å; Y1561-H1585 AromaticContact CE2-ND1 3.99Å; Y1561-H1585 AromaticContact CZ-ND1 3.92Å; Y1561-H1585 PolarHBondContact OH-ND1 2.83Å; Y1561-Y1721 HydrophobicContact CD1-CD1 4.3Å; Y1561-Y1721 HydrophobicContact CD1-CE1 4.08Å; Y1561-Y1721 HydrophobicContact CG-CD1 4.36Å; Y1561-P1723 HydrophobicContact CE1-CG 4.46Å; Y1561-P1723 HydrophobicContact CE2-CG 4.4Å |
| 1562 | Q | 86.6 | Confident | 86.3 | Confident | 96 Ų | 96 | 44.8 Ų | 44.8 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -75 | 160.4 | 173.6 | -59.8 | -170.2 | 10.3 | 0 | 0 | 111.1 | L1564 E1565 A1566 L1580 | Q1562-L1564 VanDerWaalsContact C-N 3.26Å; Q1562-L1564 PolarHBondContact O-N 2.82Å; Q1562-E1565 HydrophobicContact CB-CG 4.2Å; Q1562-E1565 PolarHBondContact N-OE2 3.47Å; Q1562-E1565 PolarHBondContact O-N 2.8Å; Q1562-A1566 PolarHBondContact O-N 3.3Å; Q1562-A1566 VanDerWaalsContact O-N 3.17Å; Q1562-L1580 HydrophobicContact CG-CD2 4.28Å |
| 1563 | P | 84.4 | Confident | 86.2 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -37.3 | -178 | -28.3 | 38.4 | 0 | 0 | 0 | 113.7 | E1565 A1566 G1570 V1573 A1579 | P1563-E1565 VanDerWaalsContact C-N 3.33Å; P1563-E1565 PolarHBondContact O-N 3.48Å; P1563-A1566 PolarHBondContact O-N 3.29Å; P1563-G1570 WeakPolarHBondContact CB-O 3.13Å; P1563-G1570 CarbonylContact O-C 3.56Å; P1563-G1570 VanDerWaalsContact O-C 3.26Å; P1563-G1570 WeakPolarHBondContact O-CA 3.23Å; P1563-V1573 HydrophobicContact CB-CG2 4.18Å; P1563-V1573 HydrophobicContact CG-CG2 4.32Å; P1563-A1579 VanDerWaalsContact CD-O 3.29Å; P1563-A1579 WeakPolarHBondContact CD-O 3.33Å; P1563-A1579 HydrophobicContact CG-CB 3.88Å; P1563-A1579 WeakPolarHBondContact CG-O 3.01Å |
| 1564 | L | 82.4 | Confident | 85.5 | Confident | 123 Ų | 123 | 47 Ų | 47 | 64% | 0.644 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -29.6 | 178 | -170.6 | 63.2 | 0 | 0 | 0 | 113 | Q1562 | Q1562-L1564 VanDerWaalsContact C-N 3.26Å; Q1562-L1564 PolarHBondContact O-N 2.82Å |
| 1565 | E | 85.8 | Confident | 84.8 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -21.6 | 177.9 | -55.4 | 175.5 | 137.1 | 0 | 0 | 112.3 | Y1561 Q1562 P1563 G1567 Y1721 | Y1561-E1565 WeakPolarHBondContact CA-OE2 3.24Å; Y1561-E1565 HydrophobicContact CD1-CB 3.72Å; Y1561-E1565 HydrophobicContact CG-CB 4.48Å; Q1562-E1565 HydrophobicContact CB-CG 4.2Å; Q1562-E1565 PolarHBondContact N-OE2 3.47Å; Q1562-E1565 PolarHBondContact O-N 2.8Å; P1563-E1565 VanDerWaalsContact C-N 3.33Å; P1563-E1565 PolarHBondContact O-N 3.48Å; E1565-G1567 PolarHBondContact O-N 2.97Å; E1565-Y1721 PolarHBondContact O-OH 3.43Å |
| 1566 | A | 82.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 14.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1562 P1563 G1570 F1581 Y1721 | Q1562-A1566 PolarHBondContact O-N 3.3Å; Q1562-A1566 VanDerWaalsContact O-N 3.17Å; P1563-A1566 PolarHBondContact O-N 3.29Å; A1566-G1570 PolarHBondContact O-N 2.89Å; A1566-F1581 HydrophobicContact CB-CD2 3.58Å; A1566-F1581 HydrophobicContact CB-CE2 3.89Å; A1566-F1581 HydrophobicContact CB-CG 4.13Å; A1566-Y1721 HydrophobicContact CB-CD1 4.31Å; A1566-Y1721 HydrophobicContact CB-CD2 3.96Å; A1566-Y1721 HydrophobicContact CB-CE1 4.39Å; A1566-Y1721 HydrophobicContact CB-CE2 4.06Å; A1566-Y1721 HydrophobicContact CB-CG 4.1Å; A1566-Y1721 VanDerWaalsContact O-CE2 3.31Å; A1566-Y1721 WeakPolarHBondContact O-CE2 3.29Å |
| 1567 | G | 80.4 | Confident | 83.5 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | 68.1 | -154 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1565 D1569 G1570 Q1571 | E1565-G1567 PolarHBondContact O-N 2.97Å; G1567-D1569 VanDerWaalsContact C-N 3.3Å; G1567-D1569 PolarHBondContact O-N 2.86Å; G1567-G1570 PolarHBondContact O-N 2.92Å; G1567-G1570 VanDerWaalsContact O-N 3.12Å; G1567-Q1571 PolarHBondContact O-N 3.44Å |
| 1568 | K | 80.3 | Confident | 82.9 | Confident | 184 Ų | 184 | 64.2 Ų | 64.2 | 80% | 0.8 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.8 | -37.1 | -175 | -66.9 | -177.5 | 179 | -179.3 | 0 | 113.3 | ||
| 1569 | D | 80 | Confident | 82.6 | Confident | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 175.7 | -71.8 | -5 | 0 | 0 | 0 | 110.3 | G1567 Q1571 L1572 Q1727 V1728 W1731 | G1567-D1569 VanDerWaalsContact C-N 3.3Å; G1567-D1569 PolarHBondContact O-N 2.86Å; D1569-Q1571 VanDerWaalsContact C-N 3.32Å; D1569-Q1571 PolarHBondContact O-N 3.16Å; D1569-L1572 WeakPolarHBondContact O-CB 3.5Å; D1569-L1572 WeakPolarHBondContact O-CG 3.14Å; D1569-L1572 PolarHBondContact O-N 3.47Å; D1569-Q1727 WeakPolarHBondContact OD2-CG 3.47Å; D1569-V1728 HydrophobicContact CB-CB 4.06Å; D1569-V1728 HydrophobicContact CB-CG2 3.6Å; D1569-V1728 PolarHBondContact OD2-N 2.92Å; D1569-W1731 HydrophobicContact CB-CZ2 4.23Å; D1569-W1731 VanDerWaalsContact O-CH2 3.29Å; D1569-W1731 WeakPolarHBondContact O-CH2 3.47Å |
| 1570 | G | 79.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | P1563 A1566 G1567 L1572 V1573 | P1563-G1570 WeakPolarHBondContact CB-O 3.13Å; P1563-G1570 CarbonylContact O-C 3.56Å; P1563-G1570 VanDerWaalsContact O-C 3.26Å; P1563-G1570 WeakPolarHBondContact O-CA 3.23Å; A1566-G1570 PolarHBondContact O-N 2.89Å; G1567-G1570 PolarHBondContact O-N 2.92Å; G1567-G1570 VanDerWaalsContact O-N 3.12Å; G1570-L1572 PolarHBondContact O-N 3.25Å; G1570-L1572 VanDerWaalsContact O-N 3.12Å; G1570-V1573 VanDerWaalsContact O-CG2 3.29Å; G1570-V1573 WeakPolarHBondContact O-CG2 3.45Å; G1570-V1573 PolarHBondContact O-N 3.11Å |
| 1571 | Q | 80.6 | Confident | 82.2 | Confident | 112 Ų | 112 | 62.2 Ų | 62.2 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.4 | -24.4 | 177.6 | -172.2 | 158.8 | 42 | 0 | 0 | 113.4 | G1567 D1569 V1573 Q1574 | G1567-Q1571 PolarHBondContact O-N 3.44Å; D1569-Q1571 VanDerWaalsContact C-N 3.32Å; D1569-Q1571 PolarHBondContact O-N 3.16Å; Q1571-V1573 PolarHBondContact O-N 2.88Å; Q1571-V1573 VanDerWaalsContact O-N 3.16Å; Q1571-Q1574 WeakPolarHBondContact O-CB 3.35Å; Q1571-Q1574 PolarHBondContact O-N 2.9Å; Q1571-Q1574 VanDerWaalsContact O-N 3.13Å |
| 1572 | L | 78.3 | Confident | 82.2 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.6 | 175.3 | -58.2 | 176.2 | 0 | 0 | 0 | 114.1 | D1569 G1570 W1731 L1739 L1741 | D1569-L1572 WeakPolarHBondContact O-CB 3.5Å; D1569-L1572 WeakPolarHBondContact O-CG 3.14Å; D1569-L1572 PolarHBondContact O-N 3.47Å; G1570-L1572 PolarHBondContact O-N 3.25Å; G1570-L1572 VanDerWaalsContact O-N 3.12Å; L1572-W1731 HydrophobicContact CD1-CZ2 4.49Å; L1572-L1739 WeakPolarHBondContact O-CD2 3.44Å; L1572-L1741 HydrophobicContact CD1-CD2 4.32Å |
| 1573 | V | 81 | Confident | 82.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 15.9 | 175.6 | -62.9 | 0 | 0 | 0 | 0 | 113 | P1563 G1570 Q1571 D1575 I1576 A1579 F1581 W1731 L1739 | P1563-V1573 HydrophobicContact CB-CG2 4.18Å; P1563-V1573 HydrophobicContact CG-CG2 4.32Å; G1570-V1573 VanDerWaalsContact O-CG2 3.29Å; G1570-V1573 WeakPolarHBondContact O-CG2 3.45Å; G1570-V1573 PolarHBondContact O-N 3.11Å; Q1571-V1573 PolarHBondContact O-N 2.88Å; Q1571-V1573 VanDerWaalsContact O-N 3.16Å; V1573-D1575 PolarHBondContact O-N 2.82Å; V1573-I1576 HydrophobicContact CB-CB 4.48Å; V1573-I1576 HydrophobicContact CB-CD1 4.2Å; V1573-I1576 HydrophobicContact CB-CG1 4.41Å; V1573-I1576 HydrophobicContact CG1-CD1 4Å; V1573-I1576 PolarHBondContact O-N 2.93Å; V1573-A1579 HydrophobicContact CB-CB 4.35Å; V1573-A1579 HydrophobicContact CG2-CB 4.07Å; V1573-F1581 HydrophobicContact CG2-CE2 3.75Å; V1573-F1581 HydrophobicContact CG2-CZ 3.64Å; V1573-W1731 HydrophobicContact CG1-CH2 4.23Å; V1573-W1731 HydrophobicContact CG1-CZ3 3.68Å; V1573-W1731 HydrophobicContact CG2-CZ3 4.22Å; V1573-L1739 HydrophobicContact CG1-CD1 3.54Å; V1573-L1739 HydrophobicContact CG1-CD2 4.3Å; V1573-L1739 HydrophobicContact CG1-CG 4.47Å |
| 1574 | Q | 73.2 | Confident | 82.2 | Confident | 93 Ų | 93 | 63.7 Ų | 63.7 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -36.1 | 178.3 | -176.4 | 171.7 | 4.4 | 0 | 0 | 112.1 | Q1571 I1576 | Q1571-Q1574 WeakPolarHBondContact O-CB 3.35Å; Q1571-Q1574 PolarHBondContact O-N 2.9Å; Q1571-Q1574 VanDerWaalsContact O-N 3.13Å; Q1574-I1576 PolarHBondContact O-N 2.84Å |
| 1575 | D | 75.7 | Confident | 82.5 | Confident | 158 Ų | 158 | 61 Ų | 61 | 85% | 0.845 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.3 | 178.6 | -55.6 | -29.4 | 0 | 0 | 0 | 113 | V1573 K1577 | V1573-D1575 PolarHBondContact O-N 2.82Å; D1575-K1577 PolarHBondContact O-N 3.43Å |
| 1576 | I | 78.6 | Confident | 82.7 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 18% | 0.179 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -95.8 | 92.9 | -176.3 | -48.4 | -176.9 | 0 | 0 | 0 | 109.6 | V1573 Q1574 G1578 A1579 Y1604 F1716 L1735 | V1573-I1576 HydrophobicContact CB-CB 4.48Å; V1573-I1576 HydrophobicContact CB-CD1 4.2Å; V1573-I1576 HydrophobicContact CB-CG1 4.41Å; V1573-I1576 HydrophobicContact CG1-CD1 4Å; V1573-I1576 PolarHBondContact O-N 2.93Å; Q1574-I1576 PolarHBondContact O-N 2.84Å; I1576-G1578 PolarHBondContact O-N 2.85Å; I1576-A1579 WeakPolarHBondContact O-CB 3.28Å; I1576-A1579 PolarHBondContact O-N 2.78Å; I1576-Y1604 HydrophobicContact CG2-CE2 3.9Å; I1576-F1716 HydrophobicContact CG2-CE1 3.96Å; I1576-F1716 HydrophobicContact CG2-CZ 3.68Å; I1576-L1735 HydrophobicContact CD1-CD2 3.4Å |
| 1577 | K | 78.9 | Confident | 83.1 | Confident | 175 Ų | 175 | 66.4 Ų | 66.4 | 76% | 0.761 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 129.2 | 179.1 | -171 | 171.5 | -177.1 | 173.3 | 0 | 111.4 | D1575 F1607 | D1575-K1577 PolarHBondContact O-N 3.43Å; K1577-F1607 WeakPolarHBondContact O-CZ 3.32Å |
| 1578 | G | 81.4 | Confident | 83.6 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -4.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1576 Y1715 F1716 | I1576-G1578 PolarHBondContact O-N 2.85Å; G1578-Y1715 CarbonylContact O-C 3.54Å; G1578-Y1715 VanDerWaalsContact O-CA 3.25Å; G1578-Y1715 WeakPolarHBondContact O-CA 3.37Å; G1578-F1716 PolarHBondContact O-N 3.48Å |
| 1579 | A | 86.4 | Confident | 84.1 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.033 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 131.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1563 V1573 I1576 F1716 A1718 | P1563-A1579 VanDerWaalsContact CD-O 3.29Å; P1563-A1579 WeakPolarHBondContact CD-O 3.33Å; P1563-A1579 HydrophobicContact CG-CB 3.88Å; P1563-A1579 WeakPolarHBondContact CG-O 3.01Å; V1573-A1579 HydrophobicContact CB-CB 4.35Å; V1573-A1579 HydrophobicContact CG2-CB 4.07Å; I1576-A1579 WeakPolarHBondContact O-CB 3.28Å; I1576-A1579 PolarHBondContact O-N 2.78Å; A1579-F1716 VanDerWaalsContact CA-CZ 3.4Å; A1579-F1716 HydrophobicContact CB-CE1 4.17Å; A1579-F1716 HydrophobicContact CB-CE2 3.87Å; A1579-F1716 HydrophobicContact CB-CZ 3.48Å; A1579-F1716 VanDerWaalsContact CB-CZ 3.48Å; A1579-A1718 HydrophobicContact CB-CB 4.19Å |
| 1580 | L | 90.2 | Very high | 84.6 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.1 | 173.6 | -65.5 | 176.6 | 0 | 0 | 0 | 111.7 | L1538 Y1560 Y1561 Q1562 I1600 Y1715 F1716 I1717 A1718 | L1538-L1580 HydrophobicContact CD1-CD1 3.65Å; L1538-L1580 HydrophobicContact CD1-CD2 4.2Å; Y1560-L1580 HydrophobicContact CG-CD1 4.38Å; Y1561-L1580 WeakPolarHBondContact O-CA 3.18Å; Q1562-L1580 HydrophobicContact CG-CD2 4.28Å; L1580-I1600 HydrophobicContact CD1-CD1 4.02Å; L1580-I1600 HydrophobicContact CD1-CG2 4.44Å; L1580-Y1715 HydrophobicContact CD1-CD1 3.82Å; L1580-Y1715 HydrophobicContact CD1-CG 3.84Å; L1580-Y1715 HydrophobicContact CD2-CD1 4.25Å; L1580-Y1715 HydrophobicContact CG-CD1 3.97Å; L1580-Y1715 HydrophobicContact CG-CG 4.41Å; L1580-F1716 PolarHBondContact N-O 2.72Å; L1580-I1717 CarbonylContact O-C 3.32Å; L1580-I1717 WeakPolarHBondContact O-CA 3.37Å; L1580-A1718 PolarHBondContact O-N 3.28Å |
| 1581 | F | 90.1 | Very high | 85 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.3 | 175.5 | -67.8 | -85.8 | 0 | 0 | 0 | 111.8 | Y1560 Y1561 A1566 V1573 A1718 V1728 W1731 | Y1560-F1581 CarbonylContact C-O 3.59Å; Y1560-F1581 VanDerWaalsContact CA-O 3.31Å; Y1560-F1581 WeakPolarHBondContact CA-O 3.33Å; Y1561-F1581 PolarHBondContact N-O 2.84Å; Y1561-F1581 PolarHBondContact O-N 2.74Å; A1566-F1581 HydrophobicContact CB-CD2 3.58Å; A1566-F1581 HydrophobicContact CB-CE2 3.89Å; A1566-F1581 HydrophobicContact CB-CG 4.13Å; V1573-F1581 HydrophobicContact CG2-CE2 3.75Å; V1573-F1581 HydrophobicContact CG2-CZ 3.64Å; F1581-A1718 HydrophobicContact CD1-CB 4.48Å; F1581-A1718 HydrophobicContact CE1-CB 4.07Å; F1581-A1718 HydrophobicContact CE2-CB 4.48Å; F1581-A1718 HydrophobicContact CZ-CB 4.08Å; F1581-V1728 HydrophobicContact CD1-CG1 4.34Å; F1581-V1728 HydrophobicContact CD1-CG2 3.98Å; F1581-V1728 HydrophobicContact CE1-CB 4.49Å; F1581-V1728 HydrophobicContact CE1-CG1 3.99Å; F1581-V1728 HydrophobicContact CE1-CG2 3.59Å; F1581-V1728 HydrophobicContact CZ-CG2 4.13Å; F1581-W1731 HydrophobicContact CE1-CE3 4.19Å; F1581-W1731 HydrophobicContact CE1-CH2 4.01Å; F1581-W1731 AromaticContact CE1-CZ3 3.74Å; F1581-W1731 HydrophobicContact CE1-CZ3 3.74Å; F1581-W1731 HydrophobicContact CZ-CE3 4.49Å; F1581-W1731 AromaticContact CZ-CH2 3.75Å; F1581-W1731 HydrophobicContact CZ-CH2 3.75Å; F1581-W1731 AromaticContact CZ-CZ3 3.62Å; F1581-W1731 HydrophobicContact CZ-CZ3 3.62Å |
| 1582 | T | 90.2 | Very high | 85.2 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 24% | 0.239 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 143.6 | 168.2 | 50.5 | 0 | 0 | 0 | 0 | 110.6 | Y1560 I1717 G1719 K1720 Y1721 | Y1560-T1582 HydrophobicContact CD1-CG2 4Å; Y1560-T1582 HydrophobicContact CE1-CG2 3.6Å; T1582-I1717 HydrophobicContact CG2-CD1 3.79Å; T1582-I1717 HydrophobicContact CG2-CG1 4.11Å; T1582-I1717 HydrophobicContact CG2-CG2 3.72Å; T1582-G1719 PolarHBondContact N-O 3.19Å; T1582-G1719 PolarHBondContact OG1-O 3.16Å; T1582-K1720 CarbonylContact O-C 3.52Å; T1582-K1720 WeakPolarHBondContact O-CA 3.3Å; T1582-K1720 WeakPolarHBondContact OG1-CA 3.48Å; T1582-Y1721 PolarHBondContact O-N 3.24Å |
| 1583 | T | 86.9 | Confident | 85.8 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 168.4 | 176.3 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | W1559 Y1561 H1585 Y1721 P1723 | W1559-T1583 PolarHBondContact O-N 2.94Å; W1559-T1583 PolarHBondContact O-OG1 3.25Å; Y1561-T1583 HydrophobicContact CD2-CG2 3.29Å; Y1561-T1583 HydrophobicContact CE2-CG2 3.75Å; Y1561-T1583 HydrophobicContact CG-CG2 3.87Å; T1583-H1585 VanDerWaalsContact C-N 3.29Å; T1583-H1585 WeakPolarHBondContact OG1-CB 3.16Å; T1583-H1585 PolarHBondContact OG1-N 2.83Å; T1583-Y1721 HydrophobicContact CG2-CD1 3.91Å; T1583-P1723 HydrophobicContact CG2-CG 3.92Å |
| 1584 | E | 84.5 | Confident | 86.2 | Confident | 139 Ų | 139 | 61 Ų | 61 | 65% | 0.65 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -3 | 168.6 | -59.8 | -165.4 | 169.9 | 0 | 0 | 112.9 | K1586 K1720 | E1584-K1586 PolarHBondContact O-N 2.96Å; E1584-K1720 WeakPolarHBondContact OE1-CE 3.45Å; E1584-K1720 IonicContact OE1-NZ 3.37Å; E1584-K1720 PolarHBondContact OE1-NZ 2.89Å |
| 1585 | H | 88.4 | Confident | 86.9 | Confident | 68 Ų | 68 | 61.2 Ų | 61.2 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 123.6 | 179.5 | -172.2 | -155.2 | 0 | 0 | 0 | 110.2 | A1558 W1559 Y1561 T1583 D1587 | A1558-H1585 WeakPolarHBondContact CA-O 3.16Å; W1559-H1585 AromaticContact CD1-CE1 3.75Å; W1559-H1585 AromaticContact CD1-CG 3.8Å; W1559-H1585 AromaticContact CD1-ND1 3.42Å; W1559-H1585 PolarHBondContact N-O 2.8Å; W1559-H1585 VanDerWaalsContact N-O 3.11Å; Y1561-H1585 HydrophobicContact CE2-CB 4.39Å; Y1561-H1585 AromaticContact CE2-ND1 3.99Å; Y1561-H1585 AromaticContact CZ-ND1 3.92Å; Y1561-H1585 PolarHBondContact OH-ND1 2.83Å; T1583-H1585 VanDerWaalsContact C-N 3.29Å; T1583-H1585 WeakPolarHBondContact OG1-CB 3.16Å; T1583-H1585 PolarHBondContact OG1-N 2.83Å; H1585-D1587 IonicContact CE1-OD2 2.66Å; H1585-D1587 PolarHBondContact CE1-OD2 2.81Å; H1585-D1587 IonicContact NE2-OD1 3.43Å; H1585-D1587 IonicContact NE2-OD2 3.7Å; H1585-D1587 PolarHBondContact NE2-OD2 3.21Å |
| 1586 | K | 90.3 | Very high | 87.5 | Confident | 127 Ų | 127 | 59.3 Ų | 59.3 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 128 | -178.8 | -66.1 | 173.6 | -171.6 | 169.8 | 0 | 111.2 | V1556 A1557 A1558 E1584 | V1556-K1586 HydrophobicContact CG1-CB 4.24Å; A1557-K1586 WeakPolarHBondContact O-CA 3.41Å; A1558-K1586 HydrophobicContact CB-CG 4.06Å; E1584-K1586 PolarHBondContact O-N 2.96Å |
| 1587 | D | 91.1 | Very high | 88 | Confident | 65 Ų | 65 | 64 Ų | 64 | 35% | 0.348 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 152.7 | 178.3 | -72.5 | -43.4 | 0 | 0 | 0 | 112.8 | V1556 A1557 W1559 H1585 N1589 | V1556-D1587 WeakPolarHBondContact CA-O 3.43Å; A1557-D1587 PolarHBondContact N-O 2.84Å; A1557-D1587 PolarHBondContact O-N 2.84Å; A1557-D1587 VanDerWaalsContact O-N 3.16Å; W1559-D1587 HydrophobicContact CZ2-CB 4.39Å; W1559-D1587 PolarHBondContact NE1-OD2 2.7Å; H1585-D1587 IonicContact CE1-OD2 2.66Å; H1585-D1587 PolarHBondContact CE1-OD2 2.81Å; H1585-D1587 IonicContact NE2-OD1 3.43Å; H1585-D1587 IonicContact NE2-OD2 3.7Å; H1585-D1587 PolarHBondContact NE2-OD2 3.21Å; D1587-N1589 PolarHBondContact O-ND2 2.83Å |
| 1588 | E | 90.8 | Very high | 88.5 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 104.5 | 172.5 | -60.6 | -157.9 | 143.6 | 0 | 0 | 111 | R1545 I1554 V1556 | R1545-E1588 IonicContact CZ-OE1 3.16Å; R1545-E1588 IonicContact CZ-OE2 2.8Å; R1545-E1588 IonicContact NE-OE1 2.74Å; R1545-E1588 PolarHBondContact NE-OE1 2.79Å; R1545-E1588 IonicContact NE-OE2 3.3Å; R1545-E1588 IonicContact NH2-OE1 3.02Å; R1545-E1588 PolarHBondContact NH2-OE1 3.46Å; R1545-E1588 IonicContact NH2-OE2 3.39Å; R1545-E1588 PolarHBondContact NH2-OE2 3.34Å; I1554-E1588 HydrophobicContact CG2-CB 3.81Å; I1554-E1588 HydrophobicContact CG2-CG 4.38Å; V1556-E1588 HydrophobicContact CG2-CG 4.4Å |
| 1589 | N | 90.6 | Very high | 88.8 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 18% | 0.176 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 158 | 179 | -64 | -74.8 | 0 | 0 | 0 | 111.2 | F1529 I1554 V1555 W1559 D1587 | F1529-N1589 HydrophobicContact CD1-CB 4.4Å; F1529-N1589 HydrophobicContact CE1-CB 4.25Å; I1554-N1589 CarbonylContact C-O 3.58Å; I1554-N1589 WeakPolarHBondContact CA-O 3.31Å; V1555-N1589 PolarHBondContact N-O 2.89Å; V1555-N1589 PolarHBondContact O-N 3.17Å; W1559-N1589 VanDerWaalsContact CZ2-ND2 3.33Å; W1559-N1589 WeakPolarHBondContact CZ2-ND2 3.43Å; D1587-N1589 PolarHBondContact O-ND2 2.83Å |
| 1590 | E | 89.1 | Confident | 88.9 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 145.1 | 169.6 | -62.5 | -169.2 | 163.1 | 0 | 0 | 110 | I1554 K1592 C1593 | I1554-E1590 HydrophobicContact CD1-CG 4.03Å; E1590-K1592 HydrophobicContact CB-CD 4.4Å; E1590-K1592 HydrophobicContact CB-CG 4.08Å; E1590-K1592 PolarHBondContact O-N 3.41Å; E1590-K1592 VanDerWaalsContact O-N 3.09Å; E1590-K1592 WeakPolarHBondContact OE2-CD 3.31Å; E1590-K1592 WeakPolarHBondContact OE2-CE 3.5Å; E1590-K1592 IonicContact OE2-NZ 3.31Å; E1590-K1592 PolarHBondContact OE2-NZ 3.42Å; E1590-C1593 VanDerWaalsContact O-CB 3.28Å; E1590-C1593 WeakPolarHBondContact O-CB 3.35Å; E1590-C1593 PolarHBondContact O-N 2.98Å |
| 1591 | A | 88.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -56.3 | -31.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1493 I1512 I1553 V1555 C1593 I1594 | W1493-A1591 HydrophobicContact CB-CB 4Å; W1493-A1591 HydrophobicContact CD2-CB 3.95Å; W1493-A1591 VanDerWaalsContact CE2-O 3.3Å; W1493-A1591 HydrophobicContact CG-CB 3.59Å; W1493-A1591 VanDerWaalsContact NE1-C 3.31Å; W1493-A1591 PolarHBondContact NE1-O 2.88Å; W1493-A1591 VanDerWaalsContact NE1-O 3.1Å; I1512-A1591 HydrophobicContact CD1-CB 3.95Å; I1553-A1591 HydrophobicContact CB-CB 3.91Å; I1553-A1591 HydrophobicContact CG2-CB 3.87Å; I1553-A1591 PolarHBondContact O-N 3.04Å; V1555-A1591 HydrophobicContact CG2-CB 4.02Å; A1591-C1593 PolarHBondContact O-N 2.84Å; A1591-C1593 VanDerWaalsContact O-N 3.11Å; A1591-I1594 WeakPolarHBondContact O-CB 3.46Å; A1591-I1594 PolarHBondContact O-N 3.12Å |
| 1592 | K | 85.5 | Confident | 88.5 | Confident | 125 Ų | 125 | 68.3 Ų | 68.3 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -57.8 | -22.1 | 174.9 | 80.2 | -170.3 | -168.2 | -156.5 | 0 | 114.2 | E1590 I1594 | E1590-K1592 HydrophobicContact CB-CD 4.4Å; E1590-K1592 HydrophobicContact CB-CG 4.08Å; E1590-K1592 PolarHBondContact O-N 3.41Å; E1590-K1592 VanDerWaalsContact O-N 3.09Å; E1590-K1592 WeakPolarHBondContact OE2-CD 3.31Å; E1590-K1592 WeakPolarHBondContact OE2-CE 3.5Å; E1590-K1592 IonicContact OE2-NZ 3.31Å; E1590-K1592 PolarHBondContact OE2-NZ 3.42Å; K1592-I1594 PolarHBondContact O-N 2.78Å |
| 1593 | C | 89.7 | Confident | 88.3 | Confident | 33 Ų | 33 | 68.3 Ų | 68.3 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -71.3 | -17.4 | 176.5 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | F1529 G1530 E1590 A1591 K1595 | F1529-C1593 CarbonylContact C-O 3.54Å; F1529-C1593 VanDerWaalsContact CA-O 3.24Å; F1529-C1593 WeakPolarHBondContact CA-O 3.44Å; F1529-C1593 HydrophobicContact CD1-CB 4.06Å; G1530-C1593 PolarHBondContact N-O 3.12Å; E1590-C1593 VanDerWaalsContact O-CB 3.28Å; E1590-C1593 WeakPolarHBondContact O-CB 3.35Å; E1590-C1593 PolarHBondContact O-N 2.98Å; A1591-C1593 PolarHBondContact O-N 2.84Å; A1591-C1593 VanDerWaalsContact O-N 3.11Å; C1593-K1595 PolarHBondContact O-N 3.28Å |
| 1594 | I | 90.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 118.4 | 178 | -59.8 | 165.8 | 0 | 0 | 0 | 109.6 | W1493 I1512 R1514 L1519 V1521 V1527 F1529 V1555 A1591 K1592 | W1493-I1594 HydrophobicContact CH2-CB 4.12Å; W1493-I1594 HydrophobicContact CH2-CD1 4.29Å; W1493-I1594 HydrophobicContact CH2-CG2 4.08Å; W1493-I1594 HydrophobicContact CZ2-CB 3.79Å; W1493-I1594 HydrophobicContact CZ2-CD1 4.4Å; W1493-I1594 HydrophobicContact CZ2-CG2 4.18Å; I1512-I1594 HydrophobicContact CD1-CD1 4.28Å; R1514-I1594 PolarHBondContact NH1-O 3.15Å; L1519-I1594 HydrophobicContact CD2-CG2 4.47Å; V1521-I1594 HydrophobicContact CG1-CD1 4.32Å; V1521-I1594 HydrophobicContact CG2-CD1 4.43Å; V1521-I1594 HydrophobicContact CG2-CG2 4.23Å; V1527-I1594 HydrophobicContact CB-CG2 4.07Å; V1527-I1594 HydrophobicContact CG1-CG2 4.42Å; V1527-I1594 HydrophobicContact CG2-CG1 4.17Å; V1527-I1594 HydrophobicContact CG2-CG2 4.28Å; F1529-I1594 HydrophobicContact CD1-CG1 4.07Å; F1529-I1594 HydrophobicContact CE1-CD1 4.47Å; F1529-I1594 HydrophobicContact CE1-CG1 3.65Å; F1529-I1594 HydrophobicContact CZ-CG1 4.29Å; V1555-I1594 HydrophobicContact CG1-CD1 4.42Å; V1555-I1594 HydrophobicContact CG2-CD1 4.12Å; A1591-I1594 WeakPolarHBondContact O-CB 3.46Å; A1591-I1594 PolarHBondContact O-N 3.12Å; K1592-I1594 PolarHBondContact O-N 2.78Å |
| 1595 | K | 87.3 | Confident | 87.9 | Confident | 99 Ų | 99 | 64 Ų | 64 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -57 | 172.6 | -72.6 | -161.2 | 170.3 | -164.5 | 0 | 111.9 | R1514 Q1528 C1593 | R1514-K1595 PolarHBondContact NH1-O 2.87Å; R1514-K1595 PolarHBondContact NH2-O 2.88Å; Q1528-K1595 PolarHBondContact O-N 3.28Å; C1593-K1595 PolarHBondContact O-N 3.28Å |
| 1596 | R | 88.7 | Confident | 87.7 | Confident | 118 Ų | 118 | 63.8 Ų | 63.8 | 45% | 0.445 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 165.3 | -176.7 | 63.5 | 177.1 | -178.7 | 130.3 | 3.2 | 112.5 | V1527 Q1528 | V1527-R1596 WeakPolarHBondContact CA-O 3.47Å; Q1528-R1596 HydrophobicContact CB-CG 4.02Å; Q1528-R1596 PolarHBondContact N-O 2.96Å; Q1528-R1596 VanDerWaalsContact OE1-CZ 3.27Å |
| 1597 | R | 89.7 | Confident | 87.3 | Confident | 133 Ų | 133 | 58.1 Ų | 58.1 | 50% | 0.502 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 148.6 | 170.8 | -172.9 | 178 | -178.5 | -159.2 | 4.3 | 110.5 | L1519 D1525 | L1519-R1597 HydrophobicContact CD1-CB 4.2Å; D1525-R1597 IonicContact OD1-CZ 3.09Å; D1525-R1597 VanDerWaalsContact OD1-CZ 3.27Å; D1525-R1597 IonicContact OD1-NE 3.85Å; D1525-R1597 PolarHBondContact OD1-NE 2.82Å; D1525-R1597 IonicContact OD1-NH2 3.96Å; D1525-R1597 PolarHBondContact OD1-NH2 3.22Å; D1525-R1597 IonicContact OD2-CZ 3.1Å; D1525-R1597 IonicContact OD2-NE 3.45Å; D1525-R1597 PolarHBondContact OD2-NE 3.3Å; D1525-R1597 IonicContact OD2-NH2 3.5Å |
| 1598 | I | 88.8 | Confident | 86.7 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | trans | -141 | 150 | 179.5 | -163.2 | 163.4 | 0 | 0 | 0 | 112.3 | C1526 L1538 I1600 Y1715 | C1526-I1598 HydrophobicContact CB-CG2 4.1Å; C1526-I1598 WeakPolarHBondContact CB-O 3.37Å; C1526-I1598 PolarHBondContact O-N 2.89Å; C1526-I1598 VanDerWaalsContact O-O 3.13Å; L1538-I1598 HydrophobicContact CD2-CG2 4.3Å; I1598-I1600 HydrophobicContact CG2-CD1 4.3Å; I1598-I1600 HydrophobicContact CG2-CG1 4.16Å; I1598-Y1715 HydrophobicContact CD1-CD2 3.72Å; I1598-Y1715 HydrophobicContact CD1-CE2 3.5Å | ||
| 1599 | K | 87 | Confident | 85.9 | Confident | 86 Ų | 86 | 58.8 Ų | 58.8 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | trans | -95.8 | 122.2 | 173.5 | -70.5 | -178.5 | 178.9 | 175 | 0 | 110.5 | S1710 N1711 Y1713 | K1599-S1710 WeakPolarHBondContact CD-O 3.42Å; K1599-S1710 WeakPolarHBondContact CE-O 3.34Å; K1599-S1710 PolarHBondContact NZ-O 2.85Å; K1599-N1711 PolarHBondContact NZ-OD1 3.24Å; K1599-N1711 VanDerWaalsContact NZ-OD1 3.13Å; K1599-Y1713 HydrophobicContact CB-CD1 3.93Å; K1599-Y1713 HydrophobicContact CB-CE1 4.07Å | ||
| 1600 | I | 88.2 | Confident | 84.7 | Confident | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.1 | 175.4 | -53.7 | -177.7 | 0 | 0 | 0 | 108 | C1526 Y1560 L1580 I1598 Y1715 I1717 | C1526-I1600 HydrophobicContact CB-CD1 3.74Å; C1526-I1600 HydrophobicContact CB-CG1 3.94Å; Y1560-I1600 HydrophobicContact CD2-CD1 3.79Å; Y1560-I1600 HydrophobicContact CE2-CD1 3.6Å; Y1560-I1600 HydrophobicContact CG-CD1 4.48Å; L1580-I1600 HydrophobicContact CD1-CD1 4.02Å; L1580-I1600 HydrophobicContact CD1-CG2 4.44Å; I1598-I1600 HydrophobicContact CG2-CD1 4.3Å; I1598-I1600 HydrophobicContact CG2-CG1 4.16Å; I1600-Y1715 WeakPolarHBondContact CA-O 3.34Å; I1600-I1717 HydrophobicContact CG2-CG1 4.2Å |
| 1601 | A | 86.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 143.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1603 Q1606 F1607 Y1713 Y1715 F1716 I1717 | A1601-S1603 VanDerWaalsContact C-N 3.31Å; A1601-S1603 PolarHBondContact O-N 2.79Å; A1601-Q1606 HydrophobicContact CB-CB 4.17Å; A1601-Q1606 HydrophobicContact CB-CG 4.14Å; A1601-F1607 HydrophobicContact CB-CB 3.88Å; A1601-Y1713 HydrophobicContact CB-CD1 3.87Å; A1601-Y1713 HydrophobicContact CB-CD2 4.15Å; A1601-Y1713 HydrophobicContact CB-CE1 4.39Å; A1601-Y1713 HydrophobicContact CB-CG 3.74Å; A1601-Y1713 VanDerWaalsContact N-CD1 3.34Å; A1601-Y1715 PolarHBondContact N-O 2.73Å; A1601-F1716 HydrophobicContact CB-CB 3.86Å; A1601-F1716 WeakPolarHBondContact O-CA 3.47Å; A1601-I1717 PolarHBondContact O-N 3.01Å |
| 1602 | K | 85.6 | Confident | 82.1 | Confident | 168 Ų | 168 | 66.9 Ų | 66.9 | 73% | 0.73 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -77.2 | -18.1 | -176.5 | -66.2 | -177.8 | 179.4 | 179 | 0 | 113.9 | Q1606 | K1602-Q1606 VanDerWaalsContact N-OE1 3.14Š|
| 1603 | S | 86.2 | Confident | 80.6 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -151.2 | 165 | -178.3 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | A1601 Q1606 F1607 D1732 | A1601-S1603 VanDerWaalsContact C-N 3.31Å; A1601-S1603 PolarHBondContact O-N 2.79Å; S1603-Q1606 PolarHBondContact O-N 3.44Å; S1603-F1607 PolarHBondContact O-N 3.38Å; S1603-D1732 VanDerWaalsContact CA-OD2 3.25Å; S1603-D1732 WeakPolarHBondContact CA-OD2 3.24Å; S1603-D1732 WeakPolarHBondContact CB-OD2 3.5Å |
| 1604 | Y | 83.4 | Confident | 78.8 | Confident | 43 Ų | 43 | 72.4 Ų | 72.4 | 17% | 0.169 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 177.4 | -177.8 | -108.9 | 0 | 0 | 0 | 112.7 | I1576 Q1606 F1607 I1608 F1716 D1732 E1734 L1735 I1738 | I1576-Y1604 HydrophobicContact CG2-CE2 3.9Å; Y1604-Q1606 VanDerWaalsContact C-N 3.28Å; Y1604-Q1606 PolarHBondContact O-N 3.39Å; Y1604-F1607 WeakPolarHBondContact O-CB 3.39Å; Y1604-F1607 PolarHBondContact O-N 3.14Å; Y1604-I1608 HydrophobicContact CD1-CG1 3.98Å; Y1604-I1608 HydrophobicContact CD2-CG1 4.27Å; Y1604-I1608 HydrophobicContact CE1-CD1 4.18Å; Y1604-I1608 HydrophobicContact CE1-CG1 3.58Å; Y1604-I1608 HydrophobicContact CE2-CD1 3.97Å; Y1604-I1608 HydrophobicContact CE2-CG1 3.9Å; Y1604-I1608 HydrophobicContact CG-CG1 4.32Å; Y1604-I1608 WeakPolarHBondContact O-CG1 3.34Å; Y1604-I1608 PolarHBondContact O-N 3.04Å; Y1604-F1716 HydrophobicContact CD2-CD1 4.37Å; Y1604-F1716 HydrophobicContact CD2-CD2 4.25Å; Y1604-F1716 AromaticContact CD2-CE1 3.94Å; Y1604-F1716 HydrophobicContact CD2-CE1 3.94Å; Y1604-F1716 AromaticContact CD2-CE2 3.89Å; Y1604-F1716 HydrophobicContact CD2-CE2 3.89Å; Y1604-F1716 AromaticContact CD2-CZ 3.68Å; Y1604-F1716 HydrophobicContact CD2-CZ 3.68Å; Y1604-F1716 HydrophobicContact CE2-CE1 4.25Å; Y1604-F1716 HydrophobicContact CE2-CZ 4.14Å; Y1604-D1732 PolarHBondContact N-OD2 3.48Å; Y1604-D1732 VanDerWaalsContact N-OD2 3.16Å; Y1604-E1734 HydrophobicContact CD1-CB 4.34Å; Y1604-L1735 HydrophobicContact CD1-CG 4.16Å; Y1604-L1735 HydrophobicContact CD2-CD1 3.88Å; Y1604-L1735 HydrophobicContact CD2-CD2 4.02Å; Y1604-L1735 HydrophobicContact CD2-CG 3.91Å; Y1604-L1735 HydrophobicContact CE2-CD2 4.15Å; Y1604-L1735 HydrophobicContact CG-CD1 3.92Å; Y1604-L1735 HydrophobicContact CG-CD2 4.19Å; Y1604-L1735 HydrophobicContact CG-CG 3.69Å; Y1604-I1738 HydrophobicContact CD1-CD1 4.01Å; Y1604-I1738 HydrophobicContact CE1-CD1 3.41Å; Y1604-I1738 VanDerWaalsContact CE1-CD1 3.41Å |
| 1605 | G | 81.1 | Confident | 76.9 | Confident | 21 Ų | 21 | 78.3 Ų | 78.3 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.4 | -36.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1607 I1608 Q1609 E1734 | G1605-F1607 VanDerWaalsContact C-N 3.33Å; G1605-F1607 PolarHBondContact O-N 3.47Å; G1605-I1608 PolarHBondContact O-N 2.75Å; G1605-Q1609 WeakPolarHBondContact O-CB 3.39Å; G1605-Q1609 PolarHBondContact O-N 3.29Å; G1605-E1734 WeakPolarHBondContact CA-OE2 3.47Å; G1605-E1734 PolarHBondContact N-OE2 2.93Å |
| 1606 | Q | 82.3 | Confident | 74.9 | Confident | 63 Ų | 63 | 82.3 Ų | 82.3 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69 | -31.8 | 176.7 | -177.8 | 170.6 | 33.7 | 0 | 0 | 112.5 | A1601 K1602 S1603 Y1604 G1610 Y1713 | A1601-Q1606 HydrophobicContact CB-CB 4.17Å; A1601-Q1606 HydrophobicContact CB-CG 4.14Å; K1602-Q1606 VanDerWaalsContact N-OE1 3.14Å; S1603-Q1606 PolarHBondContact O-N 3.44Å; Y1604-Q1606 VanDerWaalsContact C-N 3.28Å; Y1604-Q1606 PolarHBondContact O-N 3.39Å; Q1606-G1610 PolarHBondContact O-N 2.68Å; Q1606-Y1713 HydrophobicContact CG-CD2 4.31Å; Q1606-Y1713 HydrophobicContact CG-CE2 3.79Å; Q1606-Y1713 PolarHBondContact NE2-OH 2.8Å; Q1606-Y1713 VanDerWaalsContact NE2-OH 3.16Å |
| 1607 | F | 83.2 | Confident | 72.6 | Confident | 8 Ų | 8 | 79.7 Ų | 79.7 | 4% | 0.035 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.8 | -47.3 | 174.2 | 171.9 | -97 | 0 | 0 | 0 | 111.6 | K1577 A1601 S1603 Y1604 G1605 Q1609 G1610 Y1611 Y1713 F1716 | K1577-F1607 WeakPolarHBondContact O-CZ 3.32Å; A1601-F1607 HydrophobicContact CB-CB 3.88Å; S1603-F1607 PolarHBondContact O-N 3.38Å; Y1604-F1607 WeakPolarHBondContact O-CB 3.39Å; Y1604-F1607 PolarHBondContact O-N 3.14Å; G1605-F1607 VanDerWaalsContact C-N 3.33Å; G1605-F1607 PolarHBondContact O-N 3.47Å; F1607-Q1609 VanDerWaalsContact C-N 3.31Å; F1607-Q1609 PolarHBondContact O-N 3.22Å; F1607-G1610 WeakPolarHBondContact O-CA 3.34Å; F1607-G1610 PolarHBondContact O-N 3.16Å; F1607-Y1611 HydrophobicContact CD1-CD2 4.19Å; F1607-Y1611 HydrophobicContact CD1-CE2 4.27Å; F1607-Y1611 HydrophobicContact CD2-CD2 4.34Å; F1607-Y1611 HydrophobicContact CD2-CE2 4.01Å; F1607-Y1611 AromaticContact CE1-CD2 3.94Å; F1607-Y1611 HydrophobicContact CE1-CD2 3.94Å; F1607-Y1611 AromaticContact CE1-CE2 3.68Å; F1607-Y1611 HydrophobicContact CE1-CE2 3.68Å; F1607-Y1611 HydrophobicContact CE2-CD2 4.12Å; F1607-Y1611 AromaticContact CE2-CE2 3.38Å; F1607-Y1611 HydrophobicContact CE2-CE2 3.38Å; F1607-Y1611 HydrophobicContact CG-CD2 4.39Å; F1607-Y1611 HydrophobicContact CG-CE2 4.43Å; F1607-Y1611 AromaticContact CZ-CD2 3.92Å; F1607-Y1611 HydrophobicContact CZ-CD2 3.92Å; F1607-Y1611 AromaticContact CZ-CE2 3.19Å; F1607-Y1611 HydrophobicContact CZ-CE2 3.19Å; F1607-Y1611 AromaticContact CZ-CZ 3.69Å; F1607-Y1611 PolarHBondContact O-N 3.4Å; F1607-Y1713 WeakPolarHBondContact CD2-O 3.25Å; F1607-Y1713 VanDerWaalsContact CE2-O 3.31Å; F1607-Y1713 WeakPolarHBondContact CE2-O 3.45Å; F1607-F1716 HydrophobicContact CB-CB 3.69Å; F1607-F1716 HydrophobicContact CB-CD1 4.03Å; F1607-F1716 HydrophobicContact CB-CG 4.11Å; F1607-F1716 AromaticContact CD1-CD1 3.53Å; F1607-F1716 HydrophobicContact CD1-CD1 3.53Å; F1607-F1716 AromaticContact CD1-CE1 3.96Å; F1607-F1716 HydrophobicContact CD1-CE1 3.96Å; F1607-F1716 HydrophobicContact CD1-CG 4.39Å; F1607-F1716 HydrophobicContact CD2-CB 4.08Å; F1607-F1716 AromaticContact CD2-CD1 3.69Å; F1607-F1716 HydrophobicContact CD2-CD1 3.69Å; F1607-F1716 HydrophobicContact CD2-CG 4.35Å; F1607-F1716 AromaticContact CE1-CD1 3.73Å; F1607-F1716 HydrophobicContact CE1-CD1 3.73Å; F1607-F1716 AromaticContact CE1-CE1 3.85Å; F1607-F1716 HydrophobicContact CE1-CE1 3.85Å; F1607-F1716 AromaticContact CE2-CD1 3.86Å; F1607-F1716 HydrophobicContact CE2-CD1 3.86Å; F1607-F1716 HydrophobicContact CG-CB 3.99Å; F1607-F1716 AromaticContact CG-CD1 3.5Å; F1607-F1716 HydrophobicContact CG-CD1 3.5Å; F1607-F1716 VanDerWaalsContact CG-CD1 3.5Å; F1607-F1716 HydrophobicContact CG-CE1 4.38Å; F1607-F1716 HydrophobicContact CG-CG 4.08Å; F1607-F1716 AromaticContact CZ-CD1 3.87Å; F1607-F1716 HydrophobicContact CZ-CD1 3.87Å; F1607-F1716 HydrophobicContact CZ-CE1 4.15Å |
| 1608 | I | 79.1 | Confident | 70.2 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 23% | 0.226 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 177.9 | -68.4 | -61 | 0 | 0 | 0 | 112.1 | Y1604 G1605 G1610 Y1611 Y1612 | Y1604-I1608 HydrophobicContact CD1-CG1 3.98Å; Y1604-I1608 HydrophobicContact CD2-CG1 4.27Å; Y1604-I1608 HydrophobicContact CE1-CD1 4.18Å; Y1604-I1608 HydrophobicContact CE1-CG1 3.58Å; Y1604-I1608 HydrophobicContact CE2-CD1 3.97Å; Y1604-I1608 HydrophobicContact CE2-CG1 3.9Å; Y1604-I1608 HydrophobicContact CG-CG1 4.32Å; Y1604-I1608 WeakPolarHBondContact O-CG1 3.34Å; Y1604-I1608 PolarHBondContact O-N 3.04Å; G1605-I1608 PolarHBondContact O-N 2.75Å; I1608-G1610 VanDerWaalsContact C-N 3.3Å; I1608-G1610 PolarHBondContact O-N 3.11Å; I1608-Y1611 PolarHBondContact O-N 3.1Å; I1608-Y1611 VanDerWaalsContact O-N 3.17Å; I1608-Y1612 HydrophobicContact CG2-CD2 3.52Å; I1608-Y1612 HydrophobicContact CG2-CE2 3.32Å; I1608-Y1612 WeakPolarHBondContact O-CD2 3.29Å; I1608-Y1612 PolarHBondContact O-N 2.76Å |
| 1609 | Q | 73.8 | Confident | 67.5 | Low | 134 Ų | 134 | 88.3 Ų | 88.3 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.1 | -41.9 | 171.8 | -172.6 | 173.9 | 10.3 | 0 | 0 | 111.9 | G1605 F1607 E1613 | G1605-Q1609 WeakPolarHBondContact O-CB 3.39Å; G1605-Q1609 PolarHBondContact O-N 3.29Å; F1607-Q1609 VanDerWaalsContact C-N 3.31Å; F1607-Q1609 PolarHBondContact O-N 3.22Å; Q1609-E1613 WeakPolarHBondContact O-CG 3.47Å; Q1609-E1613 PolarHBondContact O-N 2.74Å |
| 1610 | G | 64.5 | Low | 65 | Low | 17 Ų | 17 | 89.9 Ų | 89.9 | 18% | 0.175 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.4 | -29.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1606 F1607 I1608 | Q1606-G1610 PolarHBondContact O-N 2.68Å; F1607-G1610 WeakPolarHBondContact O-CA 3.34Å; F1607-G1610 PolarHBondContact O-N 3.16Å; I1608-G1610 VanDerWaalsContact C-N 3.3Å; I1608-G1610 PolarHBondContact O-N 3.11Å |
| 1611 | Y | 65 | Low | 62.4 | Low | 87 Ų | 87 | 97.2 Ų | 97.2 | 34% | 0.341 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.9 | -42.2 | 175.8 | -94.9 | -105.3 | 0 | 0 | 0 | 112.9 | F1607 I1608 E1613 K1614 F1712 | F1607-Y1611 HydrophobicContact CD1-CD2 4.19Å; F1607-Y1611 HydrophobicContact CD1-CE2 4.27Å; F1607-Y1611 HydrophobicContact CD2-CD2 4.34Å; F1607-Y1611 HydrophobicContact CD2-CE2 4.01Å; F1607-Y1611 AromaticContact CE1-CD2 3.94Å; F1607-Y1611 HydrophobicContact CE1-CD2 3.94Å; F1607-Y1611 AromaticContact CE1-CE2 3.68Å; F1607-Y1611 HydrophobicContact CE1-CE2 3.68Å; F1607-Y1611 HydrophobicContact CE2-CD2 4.12Å; F1607-Y1611 AromaticContact CE2-CE2 3.38Å; F1607-Y1611 HydrophobicContact CE2-CE2 3.38Å; F1607-Y1611 HydrophobicContact CG-CD2 4.39Å; F1607-Y1611 HydrophobicContact CG-CE2 4.43Å; F1607-Y1611 AromaticContact CZ-CD2 3.92Å; F1607-Y1611 HydrophobicContact CZ-CD2 3.92Å; F1607-Y1611 AromaticContact CZ-CE2 3.19Å; F1607-Y1611 HydrophobicContact CZ-CE2 3.19Å; F1607-Y1611 AromaticContact CZ-CZ 3.69Å; F1607-Y1611 PolarHBondContact O-N 3.4Å; I1608-Y1611 PolarHBondContact O-N 3.1Å; I1608-Y1611 VanDerWaalsContact O-N 3.17Å; Y1611-E1613 PolarHBondContact O-N 2.8Å; Y1611-K1614 WeakPolarHBondContact O-CB 3.38Å; Y1611-K1614 PolarHBondContact O-N 2.8Å; Y1611-K1614 VanDerWaalsContact O-N 3.17Å; Y1611-F1712 HydrophobicContact CD1-CE2 4.45Å; Y1611-F1712 HydrophobicContact CD1-CZ 4.49Å; Y1611-F1712 AromaticContact CD2-CE2 3.58Å; Y1611-F1712 HydrophobicContact CD2-CE2 3.58Å; Y1611-F1712 AromaticContact CD2-CZ 3.82Å; Y1611-F1712 HydrophobicContact CD2-CZ 3.82Å; Y1611-F1712 HydrophobicContact CE1-CE2 4.48Å; Y1611-F1712 HydrophobicContact CE1-CZ 4.08Å; Y1611-F1712 HydrophobicContact CE2-CE1 4.3Å; Y1611-F1712 AromaticContact CE2-CE2 3.58Å; Y1611-F1712 HydrophobicContact CE2-CE2 3.58Å; Y1611-F1712 AromaticContact CE2-CZ 3.29Å; Y1611-F1712 HydrophobicContact CE2-CZ 3.29Å; Y1611-F1712 HydrophobicContact CG-CE2 4.04Å; Y1611-F1712 HydrophobicContact CG-CZ 4.39Å; Y1611-F1712 AromaticContact CZ-CZ 3.47Å; Y1611-F1712 VanDerWaalsContact CZ-CZ 3.47Å |
| 1612 | Y | 57.2 | Low | 59.5 | Low | 154 Ų | 154 | 106.2 Ų | 106.2 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72 | -27.6 | -177.7 | -77.7 | -59.3 | 0 | 0 | 0 | 114 | I1608 K1614 L1615 K1616 | I1608-Y1612 HydrophobicContact CG2-CD2 3.52Å; I1608-Y1612 HydrophobicContact CG2-CE2 3.32Å; I1608-Y1612 WeakPolarHBondContact O-CD2 3.29Å; I1608-Y1612 PolarHBondContact O-N 2.76Å; Y1612-K1614 PolarHBondContact O-N 2.87Å; Y1612-L1615 HydrophobicContact CD1-CD1 4.21Å; Y1612-L1615 HydrophobicContact CE1-CD1 4.45Å; Y1612-L1615 PolarHBondContact O-N 3.06Å; Y1612-K1616 PolarHBondContact O-N 3.37Å |
| 1613 | E | 55.5 | Low | 56.8 | Low | 136 Ų | 136 | 103.3 Ų | 103.3 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56.9 | -38.2 | 168.8 | -70.5 | -76.4 | 137.4 | 0 | 0 | 111.2 | Q1609 Y1611 L1615 K1616 | Q1609-E1613 WeakPolarHBondContact O-CG 3.47Å; Q1609-E1613 PolarHBondContact O-N 2.74Å; Y1611-E1613 PolarHBondContact O-N 2.8Å; E1613-L1615 VanDerWaalsContact C-N 3.3Å; E1613-L1615 PolarHBondContact O-N 3.23Å; E1613-K1616 PolarHBondContact O-N 3.39Å |
| 1614 | K | 50.2 | Low | 53.9 | Low | 137 Ų | 137 | 108.3 Ų | 108.3 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.6 | -25.6 | 179.9 | -164.3 | 168.9 | -174.6 | 169.9 | 0 | 113.7 | Y1611 Y1612 | Y1611-K1614 WeakPolarHBondContact O-CB 3.38Å; Y1611-K1614 PolarHBondContact O-N 2.8Å; Y1611-K1614 VanDerWaalsContact O-N 3.17Å; Y1612-K1614 PolarHBondContact O-N 2.87Å |
| 1615 | L | 52.2 | Low | 51 | Low | 126 Ų | 126 | 116 Ų | 116 | 66% | 0.66 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -82.4 | -23.4 | 176.9 | -81.2 | 170.5 | 0 | 0 | 0 | 113.5 | Y1612 E1613 G1617 | Y1612-L1615 HydrophobicContact CD1-CD1 4.21Å; Y1612-L1615 HydrophobicContact CE1-CD1 4.45Å; Y1612-L1615 PolarHBondContact O-N 3.06Å; E1613-L1615 VanDerWaalsContact C-N 3.3Å; E1613-L1615 PolarHBondContact O-N 3.23Å; L1615-G1617 VanDerWaalsContact C-N 3.32Å |
| 1616 | K | 45.5 | Very low | 48.4 | Very low | 182 Ų | 182 | 121.1 Ų | 121.1 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.8 | -11.1 | 177.4 | -74.5 | -169.8 | 174 | -174.8 | 0 | 114.3 | Y1612 E1613 | Y1612-K1616 PolarHBondContact O-N 3.37Å; E1613-K1616 PolarHBondContact O-N 3.39Å |
| 1617 | G | 39.7 | Very low | 45.5 | Very low | 64 Ų | 64 | 127.5 Ų | 127.5 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 22.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1615 | L1615-G1617 VanDerWaalsContact C-N 3.32Š|
| 1618 | K | 38.9 | Very low | 42.8 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 76% | 0.757 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -115.6 | 102.9 | 171.9 | -72.2 | -166 | 173.9 | -166.6 | 0 | 109.2 | ||
| 1619 | D | 33.4 | Very low | 40.2 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | -66.1 | 134.2 | -177.6 | -64.8 | -48.4 | 0 | 0 | 0 | 111.9 | ||||
| 1620 | P | 34.6 | Very low | 37.9 | Very low | 119 Ų | 119 | 138 Ų | 138 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | -73.8 | 136.8 | 171.6 | -14.5 | 30.2 | 0 | 0 | 0 | 111.6 | E1622 | P1620-E1622 PolarHBondContact O-N 2.76Š| ||
| 1621 | L | 32.2 | Very low | 36.2 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | trans | -64.7 | 112.4 | 175.7 | -76.9 | 154 | 0 | 0 | 0 | 111.6 | ||||
| 1622 | E | 25.5 | Very low | 34.1 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -72.5 | 122.5 | 161.7 | -76.7 | -175.3 | 124 | 0 | 0 | 110 | P1620 | P1620-E1622 PolarHBondContact O-N 2.76Š| ||
| 1623 | S | 28.7 | Very low | 32.7 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -131.3 | 78.7 | 169.3 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1624 | N | 25.3 | Very low | 31 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | 40.3 | 99.7 | 143.6 | -58.5 | -30.3 | 0 | 0 | 0 | 118.3 | T1626 | N1624-T1626 PolarHBondContact O-N 3.3Š| ||
| 1625 | Q | 23.3 | Very low | 29.7 | Very low | 204 Ų | 204 | 149.1 Ų | 149.1 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | trans | -73.1 | 99 | 158 | -72.9 | 176.1 | -13.6 | 0 | 0 | 110.2 | ||||
| 1626 | T | 25.4 | Very low | 28.3 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | trans | -83.7 | 112.8 | 163.5 | 34.7 | 0 | 0 | 0 | 0 | 110.7 | N1624 | N1624-T1626 PolarHBondContact O-N 3.3Š| ||
| 1627 | Q | 21.7 | Very low | 27.3 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 120.8 | 178.7 | -165.1 | 168.9 | 17 | 0 | 0 | 110.4 | ||||
| 1628 | S | 28.2 | Very low | 26.5 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -132.9 | 143.1 | 172.2 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1629 | D | 23.5 | Very low | 25.7 | Very low | 127 Ų | 127 | 151.3 Ų | 151.3 | 68% | 0.679 | 82% | 0.82 | S | S | * | * | trans | -89.7 | 145.2 | -160.1 | -101.2 | -42.3 | 0 | 0 | 0 | 114.6 | ||||
| 1630 | K | 26.4 | Very low | 25.3 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 70% | 0.704 | 82% | 0.82 | S | S | * | * | trans | 41.7 | 111.4 | 139.2 | -55.8 | 171.9 | -172.4 | 84.6 | 0 | 118.2 | ||||
| 1631 | N | 27.4 | Very low | 24.8 | Very low | 172 Ų | 172 | 151.5 Ų | 151.5 | 92% | 0.92 | 82% | 0.819 | S | S | * | * | -147.9 | 129.6 | 125.6 | -116.5 | -34.5 | 0 | 0 | 0 | 111.9 | |||||
| 1632 | M | 22.5 | Very low | 24.4 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | trans | -90.7 | 126.5 | 180 | -80.6 | -87.9 | -73.2 | 0 | 0 | 109.9 | ||||
| 1633 | G | 25.9 | Very low | 24.2 | Very low | 76 Ų | 76 | 150.8 Ų | 150.8 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -129 | 89.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1634 | E | 21.1 | Very low | 24 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -79 | 118.9 | -177.5 | -173.7 | 176.4 | 176.1 | 0 | 0 | 110.8 | ||||
| 1635 | L | 23.2 | Very low | 23.8 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -127.7 | 133.7 | 171.9 | -86.2 | 168.3 | 0 | 0 | 0 | 110.6 | ||||
| 1636 | T | 22.4 | Very low | 23.8 | Very low | 118 Ų | 118 | 150 Ų | 150 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 141.7 | -161 | 49 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1637 | P | 23.8 | Very low | 23.6 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 130.5 | 179.3 | 33.2 | -32.1 | 0 | 0 | 0 | 113.3 | ||
| 1638 | N | 22.7 | Very low | 23.7 | Very low | 154 Ų | 154 | 150 Ų | 150 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 143.4 | 172.7 | -73.4 | -25.5 | 0 | 0 | 0 | 111.8 | ||
| 1639 | K | 22.1 | Very low | 23.4 | Very low | 199 Ų | 199 | 154.7 Ų | 154.7 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -105.5 | 119.4 | 171.2 | -70 | 174.7 | 176.9 | 174.2 | 0 | 108.5 | ||||
| 1640 | D | 25.9 | Very low | 23.3 | Very low | 153 Ų | 153 | 157.6 Ų | 157.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -127.6 | 125.9 | 163.8 | -82.8 | -53.4 | 0 | 0 | 0 | 112.4 | ||||
| 1641 | T | 23.5 | Very low | 23.1 | Very low | 123 Ų | 123 | 155.8 Ų | 155.8 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -53.3 | 135.8 | 173.1 | -22.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1642 | E | 24.7 | Very low | 22.8 | Very low | 171 Ų | 171 | 155.4 Ų | 155.4 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | 173.4 | 135.1 | 106.4 | -95.6 | 177.3 | -171.7 | 0 | 0 | 113.3 | |||||
| 1643 | Q | 21.4 | Very low | 22.7 | Very low | 177 Ų | 177 | 153.9 Ų | 153.9 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -97.5 | 127.7 | 169.9 | -73.6 | 177.6 | -34.8 | 0 | 0 | 109.3 | ||||
| 1644 | I | 22.9 | Very low | 22.4 | Very low | 142 Ų | 142 | 156.3 Ų | 156.3 | 73% | 0.728 | 82% | 0.816 | S | S | * | * | trans | -119.6 | 101.3 | 163.9 | -61.7 | 179.8 | 0 | 0 | 0 | 108.3 | L1646 | I1644-L1646 HydrophobicContact CG2-CD1 4.47Š| ||
| 1645 | N | 21.2 | Very low | 22.5 | Very low | 141 Ų | 141 | 153 Ų | 153 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | trans | -80 | 131.3 | 168.1 | -80.6 | -43.6 | 0 | 0 | 0 | 109.6 | ||||
| 1646 | L | 24.1 | Very low | 22.3 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -133.2 | 86.7 | 166.1 | -97.3 | 161.1 | 0 | 0 | 0 | 108.8 | I1644 | I1644-L1646 HydrophobicContact CG2-CD1 4.47Š| ||
| 1647 | E | 21.5 | Very low | 22.4 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -67 | 143.7 | 163 | -61.6 | 177.2 | 122.3 | 0 | 0 | 109.8 | ||||
| 1648 | I | 22.8 | Very low | 22.2 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | -165.3 | 121 | 145.1 | -104.4 | 149.8 | 0 | 0 | 0 | 112.1 | ||||
| 1649 | R | 23.2 | Very low | 22 | Very low | 217 Ų | 217 | 150 Ų | 150 | 82% | 0.819 | 82% | 0.816 | S | S | * | * | trans | 60.1 | 101.4 | 149.1 | -63.8 | 179 | 175.5 | 162.8 | -0.4 | 121.3 | ||||
| 1650 | E | 20.6 | Very low | 22 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | 12.5 | 126.6 | 112.9 | -56.8 | -179.2 | 141.5 | 0 | 0 | 118.6 | |||||
| 1651 | S | 22.9 | Very low | 21.6 | Very low | 125 Ų | 125 | 145 Ų | 145 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | -161.7 | 144.5 | 122.8 | 41.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1652 | L | 20.3 | Very low | 21.7 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -82.1 | 148 | -179.4 | -62.7 | 151.7 | 0 | 0 | 0 | 110.4 | ||||
| 1653 | T | 21.4 | Very low | 21.4 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | 173.1 | 136.2 | 113.3 | 31.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 1654 | S | 19.9 | Very low | 21.5 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -94 | 123.1 | 169.5 | 46.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1655 | S | 22.8 | Very low | 21.4 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -146.9 | 104.8 | 163.8 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | L1657 | S1655-L1657 PolarHBondContact O-N 2.95Š| ||
| 1656 | S | 19.3 | Very low | 21.4 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -72.2 | 109.5 | 166.6 | 151.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1657 | L | 22.5 | Very low | 21.5 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -135.1 | 143.5 | 161.2 | -78.5 | 177.4 | 0 | 0 | 0 | 110.5 | S1655 | S1655-L1657 PolarHBondContact O-N 2.95Š| ||
| 1658 | A | 20 | Very low | 21.4 | Very low | 86 Ų | 86 | 139.6 Ų | 139.6 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -83.7 | 144.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1659 | S | 20 | Very low | 21.6 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | 41.9 | 83.2 | 138.5 | -53.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1660 | T | 20.2 | Very low | 21.7 | Very low | 122 Ų | 122 | 136 Ų | 136 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -118.8 | 111.4 | 150.1 | 34.4 | 0 | 0 | 0 | 0 | 110.4 | H1662 | T1660-H1662 PolarHBondContact O-N 3.34Š| ||
| 1661 | S | 19.5 | Very low | 21.7 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -73.9 | 104 | 173.9 | 50.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1662 | H | 23.5 | Very low | 21.9 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | -104.1 | 127 | 165.7 | -84.3 | -65.4 | 0 | 0 | 0 | 111 | T1660 | T1660-H1662 PolarHBondContact O-N 3.34Š| ||
| 1663 | S | 19.9 | Very low | 22.2 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 53% | 0.531 | 78% | 0.784 | S | S | . | * | trans | -94.4 | 123.7 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | L46 | L46-S1663 WeakPolarHBondContact CD1-OG 3.46Š| ||
| 1664 | I | 23.1 | Very low | 22.3 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -137.8 | 112.9 | 171.1 | -61.3 | -175.3 | 0 | 0 | 0 | 111.1 | ||||
| 1665 | K | 21.4 | Very low | 22.8 | Very low | 194 Ų | 194 | 136.4 Ų | 136.4 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 23.8 | 127.6 | 148.1 | -69 | -178.8 | 172.4 | -179.6 | 0 | 121.5 | ||||
| 1666 | Y | 21.5 | Very low | 22.9 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 65% | 0.647 | 79% | 0.786 | S | S | * | * | trans | -71.2 | 151.2 | 152.3 | -67.2 | -95.5 | 0 | 0 | 0 | 113 | L47 | L47-Y1666 HydrophobicContact CD1-CE2 4.17Å; L47-Y1666 WeakPolarHBondContact CD2-OH 3.08Å; L47-Y1666 WeakPolarHBondContact CG-OH 3.31Å | ||
| 1667 | P | 24.4 | Very low | 23.3 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -104.8 | 133.4 | 159.9 | 33.1 | -23 | 0 | 0 | 0 | 113.5 | ||||
| 1668 | S | 20.9 | Very low | 23.5 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -7 | 134.5 | 162.3 | -147.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1669 | V | 25.5 | Very low | 23.5 | Very low | 144 Ų | 144 | 143 Ų | 143 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | trans | -117.1 | 135.7 | 145.8 | 174.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1670 | N | 25.6 | Very low | 23.7 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | -79.6 | 161.4 | -171.7 | -81.7 | -7.1 | 0 | 0 | 0 | 114.1 | ||||
| 1671 | E | 22.1 | Very low | 23.7 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -78.6 | 175.7 | -173.6 | -54.7 | 172.5 | 133.3 | 0 | 0 | 114.1 | ||||
| 1672 | N | 26.5 | Very low | 24 | Very low | 138 Ų | 138 | 148 Ų | 148 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 83.6 | 94.1 | 163.4 | -49 | -42.4 | 0 | 0 | 0 | 117 | ||||
| 1673 | D | 25.8 | Very low | 24 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | -157.7 | 128.9 | 91.9 | -105.7 | -23.5 | 0 | 0 | 0 | 113.1 | |||||
| 1674 | T | 24.9 | Very low | 24.2 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -81 | 117.8 | 169.3 | 34 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1675 | N | 29.4 | Very low | 24.2 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -151 | 121.7 | 151.4 | -89.4 | -53.9 | 0 | 0 | 0 | 109.8 | ||||
| 1676 | Q | 25.7 | Very low | 24.3 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 147 | 175.2 | -82 | -170.1 | 1.6 | 0 | 0 | 111.1 | ||
| 1677 | P | 27.6 | Very low | 24.6 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 140.2 | -175.8 | 28.6 | -35.2 | 0 | 0 | 0 | 112.2 | K1679 | P1677-K1679 PolarHBondContact O-N 3.48Š|
| 1678 | P | 25.9 | Very low | 24.7 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 126.8 | -177.8 | 29.3 | -34 | 0 | 0 | 0 | 112.2 | L1680 | P1678-L1680 PolarHBondContact O-N 3.01Å; P1678-L1680 VanDerWaalsContact O-N 3.13Å |
| 1679 | K | 21.3 | Very low | 25.1 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -71 | 99.4 | 161.8 | -91.4 | -177.6 | 172.9 | 177 | 0 | 109.5 | P1677 Q1681 | P1677-K1679 PolarHBondContact O-N 3.48Å; K1679-Q1681 PolarHBondContact O-N 3.42Å | ||
| 1680 | L | 23.2 | Very low | 25.1 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -85.1 | 100 | 163.7 | -76.8 | 167.9 | 0 | 0 | 0 | 109.5 | P1678 | P1678-L1680 PolarHBondContact O-N 3.01Å; P1678-L1680 VanDerWaalsContact O-N 3.13Å | ||
| 1681 | Q | 21.1 | Very low | 25.3 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -83.1 | 113.4 | 159.3 | -73.4 | -178.8 | -18.4 | 0 | 0 | 107.9 | K1679 | K1679-Q1681 PolarHBondContact O-N 3.42Š| ||
| 1682 | I | 25.5 | Very low | 25.3 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -109.3 | 111.3 | 164.3 | -62.1 | 178.2 | 0 | 0 | 0 | 105.9 | ||||
| 1683 | T | 23.6 | Very low | 25.4 | Very low | 97 Ų | 97 | 148.3 Ų | 148.3 | 60% | 0.595 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 147.1 | 179.5 | 22.6 | 0 | 0 | 0 | 0 | 111.5 | L1403 | L1403-T1683 HydrophobicContact CD1-CG2 4Š|
| 1684 | P | 23.6 | Very low | 25.3 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 140 | 178.8 | 8.5 | 6.4 | 0 | 0 | 0 | 110.8 | ||
| 1685 | N | 23.3 | Very low | 25.4 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 116.5 | 172.2 | -116.7 | 3.9 | 0 | 0 | 0 | 109 | ||
| 1686 | N | 22.5 | Very low | 25.4 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 56% | 0.561 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -73 | 134 | 161.2 | -84.6 | 10.7 | 0 | 0 | 0 | 108.9 | ||
| 1687 | N | 27.9 | Very low | 25.6 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -145.6 | 110.5 | 153.2 | -106.2 | -12.4 | 0 | 0 | 0 | 107 | ||||
| 1688 | D | 26.5 | Very low | 25.7 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -67.6 | 134.4 | 176.9 | -53.1 | -67.4 | 0 | 0 | 0 | 110 | ||||
| 1689 | N | 29.7 | Very low | 25.9 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | -147.2 | 112.1 | 154.6 | -97.6 | -35 | 0 | 0 | 0 | 108.1 | ||||
| 1690 | N | 25.3 | Very low | 26.3 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -67 | 131.9 | 178.7 | -53.6 | -51.9 | 0 | 0 | 0 | 109.8 | ||||
| 1691 | N | 29.8 | Very low | 26.9 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | -146.8 | 110.4 | 151.3 | -96.5 | -23 | 0 | 0 | 0 | 107.6 | I1693 | N1691-I1693 PolarHBondContact O-N 3.46Š| ||
| 1692 | E | 23 | Very low | 27.4 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -69.2 | 109.6 | 168 | -64.6 | 170.8 | 127.9 | 0 | 0 | 108.4 | ||||
| 1693 | I | 27.5 | Very low | 27.7 | Very low | 152 Ų | 152 | 142 Ų | 142 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -132.1 | 137.4 | 156.8 | -61 | -175.7 | 0 | 0 | 0 | 107.2 | N1691 | N1691-I1693 PolarHBondContact O-N 3.46Š| ||
| 1694 | S | 24.8 | Very low | 28.4 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -54.2 | 134.7 | -170.8 | 41.6 | 0 | 0 | 0 | 0 | 114.6 | D1696 | S1694-D1696 PolarHBondContact O-N 2.66Å; S1694-D1696 VanDerWaalsContact O-N 3.16Å | ||
| 1695 | S | 25.5 | Very low | 28.9 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -70.5 | 92.6 | 159.4 | 50.7 | 0 | 0 | 0 | 0 | 110 | D1697 | S1695-D1697 VanDerWaalsContact C-N 3.27Å; S1695-D1697 PolarHBondContact O-N 3.39Å | ||
| 1696 | D | 29.3 | Very low | 29.5 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | trans | -82.5 | 77 | 158 | -86.4 | -37.4 | 0 | 0 | 0 | 108.3 | S1694 N1698 | S1694-D1696 PolarHBondContact O-N 2.66Å; S1694-D1696 VanDerWaalsContact O-N 3.16Å; D1696-N1698 PolarHBondContact O-N 3Å | ||
| 1697 | D | 30.8 | Very low | 30.3 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -75.3 | 69.4 | 172.5 | -66.9 | -32.4 | 0 | 0 | 0 | 109.8 | S1695 E1699 | S1695-D1697 VanDerWaalsContact C-N 3.27Å; S1695-D1697 PolarHBondContact O-N 3.39Å; D1697-E1699 PolarHBondContact O-N 3.32Å | ||
| 1698 | N | 28.6 | Very low | 30.8 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -90.7 | 72.6 | 165.2 | -65.6 | -65.8 | 0 | 0 | 0 | 108.9 | D1696 | D1696-N1698 PolarHBondContact O-N 3Š| ||
| 1699 | E | 31.8 | Very low | 31.4 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -86.7 | 110 | 161.9 | -75.3 | -164.2 | 150 | 0 | 0 | 109.1 | D1697 D1701 | D1697-E1699 PolarHBondContact O-N 3.32Å; E1699-D1701 VanDerWaalsContact C-N 3.33Å; E1699-D1701 PolarHBondContact O-N 3.13Å | ||
| 1700 | E | 29.7 | Very low | 32.4 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -73.8 | 77.5 | -179.7 | -60.7 | 174.1 | 136.5 | 0 | 0 | 110.6 | D1702 | E1700-D1702 VanDerWaalsContact C-N 3.29Å; E1700-D1702 PolarHBondContact O-N 3.46Å | ||
| 1701 | D | 34.7 | Very low | 33.7 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | -74.6 | 75.8 | 177.1 | -99.5 | -20.6 | 0 | 0 | 0 | 112.1 | E1699 D1703 | E1699-D1701 VanDerWaalsContact C-N 3.33Å; E1699-D1701 PolarHBondContact O-N 3.13Å; D1701-D1703 PolarHBondContact O-N 3.31Å | ||
| 1702 | D | 32.9 | Very low | 35.5 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | trans | 20.4 | 68.7 | 155.3 | -77.7 | -37.8 | 0 | 0 | 0 | 117.8 | E1700 V1704 | E1700-D1702 VanDerWaalsContact C-N 3.29Å; E1700-D1702 PolarHBondContact O-N 3.46Å; D1702-V1704 HydrophobicContact CB-CG2 4.25Å; D1702-V1704 PolarHBondContact O-N 2.92Å | ||
| 1703 | D | 31.9 | Very low | 38 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 87% | 0.866 | 67% | 0.67 | S | S | * | * | trans | -72.1 | 56.4 | 159.9 | -91.3 | -30.8 | 0 | 0 | 0 | 110.5 | D1701 D1705 | D1701-D1703 PolarHBondContact O-N 3.31Å; D1703-D1705 PolarHBondContact O-N 2.92Å | ||
| 1704 | V | 36.5 | Very low | 40.4 | Very low | 104 Ų | 104 | 122 Ų | 122 | 63% | 0.63 | 66% | 0.656 | S | S | * | * | trans | -83.1 | 97.9 | 172.9 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | D1702 D1706 | D1702-V1704 HydrophobicContact CB-CG2 4.25Å; D1702-V1704 PolarHBondContact O-N 2.92Å; V1704-D1706 PolarHBondContact O-N 3.48Å | ||
| 1705 | D | 34.7 | Very low | 43.4 | Very low | 148 Ų | 148 | 121 Ų | 121 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | trans | -60.8 | 69.4 | 171.8 | -82 | -42.6 | 0 | 0 | 0 | 112.5 | D1703 D1707 | D1703-D1705 PolarHBondContact O-N 2.92Å; D1705-D1707 PolarHBondContact O-N 3.33Å | ||
| 1706 | D | 37.2 | Very low | 46.5 | Very low | 116 Ų | 116 | 116.5 Ų | 116.5 | 62% | 0.62 | 61% | 0.607 | S | S | * | * | trans | -79.6 | 43.5 | -178.8 | -159 | 21.1 | 0 | 0 | 0 | 112.6 | V1704 N1708 | V1704-D1706 PolarHBondContact O-N 3.48Å; D1706-N1708 PolarHBondContact O-N 3.49Å | ||
| 1707 | D | 39.3 | Very low | 49.4 | Very low | 133 Ų | 133 | 112 Ų | 112 | 71% | 0.711 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -72.3 | -7 | 176 | -123.4 | -2.8 | 0 | 0 | 0 | 112 | D1705 N1709 | D1705-D1707 PolarHBondContact O-N 3.33Å; D1707-N1709 PolarHBondContact O-N 2.81Å |
| 1708 | N | 36.4 | Very low | 52.1 | Low | 159 Ų | 159 | 105.1 Ų | 105.1 | 85% | 0.85 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -83.4 | 1.4 | -175.3 | -83 | -45.5 | 0 | 0 | 0 | 115.9 | D1706 | D1706-N1708 PolarHBondContact O-N 3.49Š|
| 1709 | N | 39.2 | Very low | 54.9 | Low | 113 Ų | 113 | 99.2 Ų | 99.2 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -137 | 37 | 170.6 | -152.1 | -8 | 0 | 0 | 0 | 114.5 | D1707 N1711 | D1707-N1709 PolarHBondContact O-N 2.81Å; N1709-N1711 PolarHBondContact O-N 3.19Å |
| 1710 | S | 50.8 | Low | 57.6 | Low | 70 Ų | 70 | 93.9 Ų | 93.9 | 49% | 0.49 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 19.5 | -171.2 | -163.4 | 0 | 0 | 0 | 0 | 116.5 | K1599 | K1599-S1710 WeakPolarHBondContact CD-O 3.42Å; K1599-S1710 WeakPolarHBondContact CE-O 3.34Å; K1599-S1710 PolarHBondContact NZ-O 2.85Å |
| 1711 | N | 52.5 | Low | 60.5 | Low | 123 Ų | 123 | 85.5 Ų | 85.5 | 66% | 0.658 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 1.8 | 171.3 | -143 | 31.5 | 0 | 0 | 0 | 114.4 | K1599 N1709 | K1599-N1711 PolarHBondContact NZ-OD1 3.24Å; K1599-N1711 VanDerWaalsContact NZ-OD1 3.13Å; N1709-N1711 PolarHBondContact O-N 3.19Å |
| 1712 | F | 67.8 | Low | 62.9 | Low | 39 Ų | 39 | 80.1 Ų | 80.1 | 17% | 0.171 | 42% | 0.422 | C | S | . | . | trans | -82.3 | 137.6 | 179 | -178.4 | -108.8 | 0 | 0 | 0 | 113.2 | Y1611 H1714 | Y1611-F1712 HydrophobicContact CD1-CE2 4.45Å; Y1611-F1712 HydrophobicContact CD1-CZ 4.49Å; Y1611-F1712 AromaticContact CD2-CE2 3.58Å; Y1611-F1712 HydrophobicContact CD2-CE2 3.58Å; Y1611-F1712 AromaticContact CD2-CZ 3.82Å; Y1611-F1712 HydrophobicContact CD2-CZ 3.82Å; Y1611-F1712 HydrophobicContact CE1-CE2 4.48Å; Y1611-F1712 HydrophobicContact CE1-CZ 4.08Å; Y1611-F1712 HydrophobicContact CE2-CE1 4.3Å; Y1611-F1712 AromaticContact CE2-CE2 3.58Å; Y1611-F1712 HydrophobicContact CE2-CE2 3.58Å; Y1611-F1712 AromaticContact CE2-CZ 3.29Å; Y1611-F1712 HydrophobicContact CE2-CZ 3.29Å; Y1611-F1712 HydrophobicContact CG-CE2 4.04Å; Y1611-F1712 HydrophobicContact CG-CZ 4.39Å; Y1611-F1712 AromaticContact CZ-CZ 3.47Å; Y1611-F1712 VanDerWaalsContact CZ-CZ 3.47Å; F1712-H1714 AromaticContact CD1-CE1 3.66Å; F1712-H1714 AromaticContact CD1-ND1 3.84Å; F1712-H1714 AromaticContact CD1-NE2 3.85Å | ||
| 1713 | Y | 77 | Confident | 65.1 | Low | 53 Ų | 53 | 75.1 Ų | 75.1 | 21% | 0.208 | 40% | 0.397 | C | S | . | . | trans | -92.9 | 115 | 175.9 | -67.7 | -73.9 | 0 | 0 | 0 | 110.6 | K1599 A1601 Q1606 F1607 | K1599-Y1713 HydrophobicContact CB-CD1 3.93Å; K1599-Y1713 HydrophobicContact CB-CE1 4.07Å; A1601-Y1713 HydrophobicContact CB-CD1 3.87Å; A1601-Y1713 HydrophobicContact CB-CD2 4.15Å; A1601-Y1713 HydrophobicContact CB-CE1 4.39Å; A1601-Y1713 HydrophobicContact CB-CG 3.74Å; A1601-Y1713 VanDerWaalsContact N-CD1 3.34Å; Q1606-Y1713 HydrophobicContact CG-CD2 4.31Å; Q1606-Y1713 HydrophobicContact CG-CE2 3.79Å; Q1606-Y1713 PolarHBondContact NE2-OH 2.8Å; Q1606-Y1713 VanDerWaalsContact NE2-OH 3.16Å; F1607-Y1713 WeakPolarHBondContact CD2-O 3.25Å; F1607-Y1713 VanDerWaalsContact CE2-O 3.31Å; F1607-Y1713 WeakPolarHBondContact CE2-O 3.45Å | ||
| 1714 | H | 77.6 | Confident | 67.5 | Low | 102 Ų | 102 | 74 Ų | 74 | 47% | 0.472 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -80.9 | -21.2 | 178.1 | -71.5 | 83.2 | 0 | 0 | 0 | 113.5 | F1712 | F1712-H1714 AromaticContact CD1-CE1 3.66Å; F1712-H1714 AromaticContact CD1-ND1 3.84Å; F1712-H1714 AromaticContact CD1-NE2 3.85Å |
| 1715 | Y | 87.7 | Confident | 69.6 | Low | 71 Ų | 71 | 77.4 Ų | 77.4 | 28% | 0.278 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 161.1 | -177.1 | -59.6 | -87.5 | 0 | 0 | 0 | 110.9 | L1538 G1578 L1580 I1598 I1600 A1601 | L1538-Y1715 HydrophobicContact CD1-CD1 4.12Å; L1538-Y1715 HydrophobicContact CD1-CD2 4.18Å; L1538-Y1715 HydrophobicContact CD1-CE1 3.95Å; L1538-Y1715 HydrophobicContact CD1-CE2 4.01Å; L1538-Y1715 HydrophobicContact CD1-CG 4.24Å; G1578-Y1715 CarbonylContact O-C 3.54Å; G1578-Y1715 VanDerWaalsContact O-CA 3.25Å; G1578-Y1715 WeakPolarHBondContact O-CA 3.37Å; L1580-Y1715 HydrophobicContact CD1-CD1 3.82Å; L1580-Y1715 HydrophobicContact CD1-CG 3.84Å; L1580-Y1715 HydrophobicContact CD2-CD1 4.25Å; L1580-Y1715 HydrophobicContact CG-CD1 3.97Å; L1580-Y1715 HydrophobicContact CG-CG 4.41Å; I1598-Y1715 HydrophobicContact CD1-CD2 3.72Å; I1598-Y1715 HydrophobicContact CD1-CE2 3.5Å; I1600-Y1715 WeakPolarHBondContact CA-O 3.34Å; A1601-Y1715 PolarHBondContact N-O 2.73Å |
| 1716 | F | 89.5 | Confident | 71.8 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 156.6 | 176.4 | 69.1 | -95.7 | 0 | 0 | 0 | 112.5 | I1576 G1578 A1579 L1580 A1601 Y1604 F1607 A1718 L1735 | I1576-F1716 HydrophobicContact CG2-CE1 3.96Å; I1576-F1716 HydrophobicContact CG2-CZ 3.68Å; G1578-F1716 PolarHBondContact O-N 3.48Å; A1579-F1716 VanDerWaalsContact CA-CZ 3.4Å; A1579-F1716 HydrophobicContact CB-CE1 4.17Å; A1579-F1716 HydrophobicContact CB-CE2 3.87Å; A1579-F1716 HydrophobicContact CB-CZ 3.48Å; A1579-F1716 VanDerWaalsContact CB-CZ 3.48Å; L1580-F1716 PolarHBondContact N-O 2.72Å; A1601-F1716 HydrophobicContact CB-CB 3.86Å; A1601-F1716 WeakPolarHBondContact O-CA 3.47Å; Y1604-F1716 HydrophobicContact CD2-CD1 4.37Å; Y1604-F1716 HydrophobicContact CD2-CD2 4.25Å; Y1604-F1716 AromaticContact CD2-CE1 3.94Å; Y1604-F1716 HydrophobicContact CD2-CE1 3.94Å; Y1604-F1716 AromaticContact CD2-CE2 3.89Å; Y1604-F1716 HydrophobicContact CD2-CE2 3.89Å; Y1604-F1716 AromaticContact CD2-CZ 3.68Å; Y1604-F1716 HydrophobicContact CD2-CZ 3.68Å; Y1604-F1716 HydrophobicContact CE2-CE1 4.25Å; Y1604-F1716 HydrophobicContact CE2-CZ 4.14Å; F1607-F1716 HydrophobicContact CB-CB 3.69Å; F1607-F1716 HydrophobicContact CB-CD1 4.03Å; F1607-F1716 HydrophobicContact CB-CG 4.11Å; F1607-F1716 AromaticContact CD1-CD1 3.53Å; F1607-F1716 HydrophobicContact CD1-CD1 3.53Å; F1607-F1716 AromaticContact CD1-CE1 3.96Å; F1607-F1716 HydrophobicContact CD1-CE1 3.96Å; F1607-F1716 HydrophobicContact CD1-CG 4.39Å; F1607-F1716 HydrophobicContact CD2-CB 4.08Å; F1607-F1716 AromaticContact CD2-CD1 3.69Å; F1607-F1716 HydrophobicContact CD2-CD1 3.69Å; F1607-F1716 HydrophobicContact CD2-CG 4.35Å; F1607-F1716 AromaticContact CE1-CD1 3.73Å; F1607-F1716 HydrophobicContact CE1-CD1 3.73Å; F1607-F1716 AromaticContact CE1-CE1 3.85Å; F1607-F1716 HydrophobicContact CE1-CE1 3.85Å; F1607-F1716 AromaticContact CE2-CD1 3.86Å; F1607-F1716 HydrophobicContact CE2-CD1 3.86Å; F1607-F1716 HydrophobicContact CG-CB 3.99Å; F1607-F1716 AromaticContact CG-CD1 3.5Å; F1607-F1716 HydrophobicContact CG-CD1 3.5Å; F1607-F1716 VanDerWaalsContact CG-CD1 3.5Å; F1607-F1716 HydrophobicContact CG-CE1 4.38Å; F1607-F1716 HydrophobicContact CG-CG 4.08Å; F1607-F1716 AromaticContact CZ-CD1 3.87Å; F1607-F1716 HydrophobicContact CZ-CD1 3.87Å; F1607-F1716 HydrophobicContact CZ-CE1 4.15Å; F1716-A1718 HydrophobicContact CD2-CB 4.42Å; F1716-A1718 HydrophobicContact CE2-CB 3.81Å; F1716-A1718 PolarHBondContact O-N 2.92Å; F1716-L1735 HydrophobicContact CD2-CD1 4.2Å; F1716-L1735 HydrophobicContact CE2-CD1 3.36Å; F1716-L1735 HydrophobicContact CZ-CD1 4.02Å |
| 1717 | I | 90.2 | Very high | 73.9 | Confident | 33 Ų | 33 | 74.8 Ų | 74.8 | 17% | 0.169 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 110.2 | 175.8 | -59.9 | 170.2 | 0 | 0 | 0 | 109.7 | Y1560 L1580 T1582 I1600 A1601 | Y1560-I1717 HydrophobicContact CE1-CD1 3.98Å; Y1560-I1717 HydrophobicContact CE1-CG1 4.01Å; L1580-I1717 CarbonylContact O-C 3.32Å; L1580-I1717 WeakPolarHBondContact O-CA 3.37Å; T1582-I1717 HydrophobicContact CG2-CD1 3.79Å; T1582-I1717 HydrophobicContact CG2-CG1 4.11Å; T1582-I1717 HydrophobicContact CG2-CG2 3.72Å; I1600-I1717 HydrophobicContact CG2-CG1 4.2Å; A1601-I1717 PolarHBondContact O-N 3.01Å |
| 1718 | A | 87.5 | Confident | 76.1 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -22.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1579 L1580 F1581 F1716 D1732 L1735 | A1579-A1718 HydrophobicContact CB-CB 4.19Å; L1580-A1718 PolarHBondContact O-N 3.28Å; F1581-A1718 HydrophobicContact CD1-CB 4.48Å; F1581-A1718 HydrophobicContact CE1-CB 4.07Å; F1581-A1718 HydrophobicContact CE2-CB 4.48Å; F1581-A1718 HydrophobicContact CZ-CB 4.08Å; F1716-A1718 HydrophobicContact CD2-CB 4.42Å; F1716-A1718 HydrophobicContact CE2-CB 3.81Å; F1716-A1718 PolarHBondContact O-N 2.92Å; A1718-D1732 WeakPolarHBondContact O-CB 3.3Å; A1718-D1732 PolarHBondContact O-N 3.44Å; A1718-L1735 HydrophobicContact CB-CD1 4.08Å |
| 1719 | G | 88.7 | Confident | 78.2 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | -167.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T1582 T1730 | T1582-G1719 PolarHBondContact N-O 3.19Å; T1582-G1719 PolarHBondContact OG1-O 3.16Å; G1719-T1730 CarbonylContact C-O 3.5Å; G1719-T1730 WeakPolarHBondContact CA-O 3.34Å |
| 1720 | K | 88.8 | Confident | 80.4 | Confident | 63 Ų | 63 | 62.9 Ų | 62.9 | 27% | 0.274 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124 | 171.5 | -172 | -174.6 | 176.7 | -172 | 0 | 109.6 | T1582 E1584 L1729 T1730 | T1582-K1720 CarbonylContact O-C 3.52Å; T1582-K1720 WeakPolarHBondContact O-CA 3.3Å; T1582-K1720 WeakPolarHBondContact OG1-CA 3.48Å; E1584-K1720 WeakPolarHBondContact OE1-CE 3.45Å; E1584-K1720 IonicContact OE1-NZ 3.37Å; E1584-K1720 PolarHBondContact OE1-NZ 2.89Å; K1720-L1729 HydrophobicContact CD-CD1 4.11Å; K1720-L1729 HydrophobicContact CG-CD1 4.41Å; K1720-L1729 PolarHBondContact O-N 3.27Å; K1720-T1730 VanDerWaalsContact CB-OG1 3.32Å; K1720-T1730 WeakPolarHBondContact CB-OG1 3.11Å; K1720-T1730 PolarHBondContact N-O 3.31Å; K1720-T1730 PolarHBondContact O-N 3.27Å |
| 1721 | Y | 89.3 | Confident | 82 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 143.8 | 179.2 | 174.7 | -114 | 0 | 0 | 0 | 110.6 | Y1561 E1565 A1566 T1582 T1583 P1723 Q1727 V1728 | Y1561-Y1721 HydrophobicContact CD1-CD1 4.3Å; Y1561-Y1721 HydrophobicContact CD1-CE1 4.08Å; Y1561-Y1721 HydrophobicContact CG-CD1 4.36Å; E1565-Y1721 PolarHBondContact O-OH 3.43Å; A1566-Y1721 HydrophobicContact CB-CD1 4.31Å; A1566-Y1721 HydrophobicContact CB-CD2 3.96Å; A1566-Y1721 HydrophobicContact CB-CE1 4.39Å; A1566-Y1721 HydrophobicContact CB-CE2 4.06Å; A1566-Y1721 HydrophobicContact CB-CG 4.1Å; A1566-Y1721 VanDerWaalsContact O-CE2 3.31Å; A1566-Y1721 WeakPolarHBondContact O-CE2 3.29Å; T1582-Y1721 PolarHBondContact O-N 3.24Å; T1583-Y1721 HydrophobicContact CG2-CD1 3.91Å; Y1721-P1723 HydrophobicContact CD1-CG 3.94Å; Y1721-P1723 HydrophobicContact CE1-CB 4.07Å; Y1721-P1723 HydrophobicContact CE1-CG 3.95Å; Y1721-Q1727 WeakPolarHBondContact CD2-O 3.36Å; Y1721-V1728 HydrophobicContact CD2-CG2 4.07Å |
| 1722 | D | 85 | Confident | 83.6 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 104 | 171.3 | -179.7 | -16.9 | 0 | 0 | 0 | 109 | V1724 R1725 Q1726 Q1727 L1729 | D1722-V1724 PolarHBondContact O-N 3Å; D1722-V1724 WeakPolarHBondContact OD1-CA 3.35Å; D1722-V1724 WeakPolarHBondContact OD1-CB 3.44Å; D1722-V1724 PolarHBondContact OD1-N 2.98Å; D1722-R1725 HydrophobicContact CB-CB 4.12Å; D1722-R1725 PolarHBondContact O-N 3.43Å; D1722-R1725 PolarHBondContact OD1-N 3.28Å; D1722-R1725 VanDerWaalsContact OD1-N 3.16Å; D1722-R1725 WeakPolarHBondContact OD2-CD 3.34Å; D1722-R1725 WeakPolarHBondContact OD2-CG 3.31Å; D1722-R1725 IonicContact OD2-NE 3.3Å; D1722-R1725 PolarHBondContact OD2-NE 2.99Å; D1722-Q1726 WeakPolarHBondContact O-CA 3.44Å; D1722-Q1726 PolarHBondContact O-N 3.31Å; D1722-Q1727 PolarHBondContact N-O 2.9Å; D1722-Q1727 PolarHBondContact O-N 2.88Å; D1722-L1729 HydrophobicContact CB-CD1 4Å; D1722-L1729 HydrophobicContact CB-CD2 4.02Å; D1722-L1729 HydrophobicContact CB-CG 3.89Å |
| 1723 | P | 78.9 | Confident | 84.2 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 25% | 0.247 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.1 | 179.6 | -24.4 | 34.6 | 0 | 0 | 0 | 114.4 | Y1561 T1583 Y1721 | Y1561-P1723 HydrophobicContact CE1-CG 4.46Å; Y1561-P1723 HydrophobicContact CE2-CG 4.4Å; T1583-P1723 HydrophobicContact CG2-CG 3.92Å; Y1721-P1723 HydrophobicContact CD1-CG 3.94Å; Y1721-P1723 HydrophobicContact CE1-CB 4.07Å; Y1721-P1723 HydrophobicContact CE1-CG 3.95Å |
| 1724 | V | 82.7 | Confident | 84.2 | Confident | 139 Ų | 139 | 62.2 Ų | 62.2 | 84% | 0.842 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -36.9 | -179.7 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | D1722 | D1722-V1724 PolarHBondContact O-N 3Å; D1722-V1724 WeakPolarHBondContact OD1-CA 3.35Å; D1722-V1724 WeakPolarHBondContact OD1-CB 3.44Å; D1722-V1724 PolarHBondContact OD1-N 2.98Å |
| 1725 | R | 80.7 | Confident | 84.3 | Confident | 175 Ų | 175 | 57.4 Ų | 57.4 | 66% | 0.66 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -13 | 175.2 | -67.7 | -179.4 | -175.7 | -106.1 | -1.1 | 113.9 | D1722 Q1727 | D1722-R1725 HydrophobicContact CB-CB 4.12Å; D1722-R1725 PolarHBondContact O-N 3.43Å; D1722-R1725 PolarHBondContact OD1-N 3.28Å; D1722-R1725 VanDerWaalsContact OD1-N 3.16Å; D1722-R1725 WeakPolarHBondContact OD2-CD 3.34Å; D1722-R1725 WeakPolarHBondContact OD2-CG 3.31Å; D1722-R1725 IonicContact OD2-NE 3.3Å; D1722-R1725 PolarHBondContact OD2-NE 2.99Å; R1725-Q1727 HydrophobicContact CB-CB 4.28Å; R1725-Q1727 PolarHBondContact O-N 3.2Å |
| 1726 | Q | 80.6 | Confident | 83.8 | Confident | 144 Ų | 144 | 54.4 Ų | 54.4 | 67% | 0.673 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39.1 | -170.1 | -60.5 | -176.3 | -11.1 | 0 | 0 | 112.6 | D1722 | D1722-Q1726 WeakPolarHBondContact O-CA 3.44Å; D1722-Q1726 PolarHBondContact O-N 3.31Å |
| 1727 | Q | 81.8 | Confident | 83.2 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.4 | -176.6 | -159.6 | -178 | 22.5 | 0 | 0 | 111.4 | D1569 Y1721 D1722 R1725 L1729 | D1569-Q1727 WeakPolarHBondContact OD2-CG 3.47Å; Y1721-Q1727 WeakPolarHBondContact CD2-O 3.36Å; D1722-Q1727 PolarHBondContact N-O 2.9Å; D1722-Q1727 PolarHBondContact O-N 2.88Å; R1725-Q1727 HydrophobicContact CB-CB 4.28Å; R1725-Q1727 PolarHBondContact O-N 3.2Å; Q1727-L1729 PolarHBondContact O-N 3.4Å |
| 1728 | V | 84.7 | Confident | 82.5 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 121.5 | 168.2 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | D1569 F1581 Y1721 W1731 | D1569-V1728 HydrophobicContact CB-CB 4.06Å; D1569-V1728 HydrophobicContact CB-CG2 3.6Å; D1569-V1728 PolarHBondContact OD2-N 2.92Å; F1581-V1728 HydrophobicContact CD1-CG1 4.34Å; F1581-V1728 HydrophobicContact CD1-CG2 3.98Å; F1581-V1728 HydrophobicContact CE1-CB 4.49Å; F1581-V1728 HydrophobicContact CE1-CG1 3.99Å; F1581-V1728 HydrophobicContact CE1-CG2 3.59Å; F1581-V1728 HydrophobicContact CZ-CG2 4.13Å; Y1721-V1728 HydrophobicContact CD2-CG2 4.07Å; V1728-W1731 HydrophobicContact CB-CZ2 4Å; V1728-W1731 HydrophobicContact CG1-CD2 3.88Å; V1728-W1731 HydrophobicContact CG1-CG 4.12Å; V1728-W1731 HydrophobicContact CG1-CZ2 4.02Å; V1728-W1731 HydrophobicContact CG2-CH2 4.36Å; V1728-W1731 HydrophobicContact CG2-CZ2 3.97Å |
| 1729 | L | 81.5 | Confident | 81.8 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 34% | 0.335 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -43 | -179.5 | -63.4 | -179.9 | 0 | 0 | 0 | 112 | K1720 D1722 Q1727 | K1720-L1729 HydrophobicContact CD-CD1 4.11Å; K1720-L1729 HydrophobicContact CG-CD1 4.41Å; K1720-L1729 PolarHBondContact O-N 3.27Å; D1722-L1729 HydrophobicContact CB-CD1 4Å; D1722-L1729 HydrophobicContact CB-CD2 4.02Å; D1722-L1729 HydrophobicContact CB-CG 3.89Å; Q1727-L1729 PolarHBondContact O-N 3.4Å |
| 1730 | T | 84.1 | Confident | 80.8 | Confident | 83 Ų | 83 | 72.9 Ų | 72.9 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 135.5 | -176.2 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | G1719 K1720 | G1719-T1730 CarbonylContact C-O 3.5Å; G1719-T1730 WeakPolarHBondContact CA-O 3.34Å; K1720-T1730 VanDerWaalsContact CB-OG1 3.32Å; K1720-T1730 WeakPolarHBondContact CB-OG1 3.11Å; K1720-T1730 PolarHBondContact N-O 3.31Å; K1720-T1730 PolarHBondContact O-N 3.27Å |
| 1731 | W | 85.3 | Confident | 79.7 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 153.1 | 176.2 | -69.9 | 92.6 | 0 | 0 | 0 | 111.7 | D1569 L1572 V1573 F1581 V1728 A1736 L1739 L1741 | D1569-W1731 HydrophobicContact CB-CZ2 4.23Å; D1569-W1731 VanDerWaalsContact O-CH2 3.29Å; D1569-W1731 WeakPolarHBondContact O-CH2 3.47Å; L1572-W1731 HydrophobicContact CD1-CZ2 4.49Å; V1573-W1731 HydrophobicContact CG1-CH2 4.23Å; V1573-W1731 HydrophobicContact CG1-CZ3 3.68Å; V1573-W1731 HydrophobicContact CG2-CZ3 4.22Å; F1581-W1731 HydrophobicContact CE1-CE3 4.19Å; F1581-W1731 HydrophobicContact CE1-CH2 4.01Å; F1581-W1731 AromaticContact CE1-CZ3 3.74Å; F1581-W1731 HydrophobicContact CE1-CZ3 3.74Å; F1581-W1731 HydrophobicContact CZ-CE3 4.49Å; F1581-W1731 AromaticContact CZ-CH2 3.75Å; F1581-W1731 HydrophobicContact CZ-CH2 3.75Å; F1581-W1731 AromaticContact CZ-CZ3 3.62Å; F1581-W1731 HydrophobicContact CZ-CZ3 3.62Å; V1728-W1731 HydrophobicContact CB-CZ2 4Å; V1728-W1731 HydrophobicContact CG1-CD2 3.88Å; V1728-W1731 HydrophobicContact CG1-CG 4.12Å; V1728-W1731 HydrophobicContact CG1-CZ2 4.02Å; V1728-W1731 HydrophobicContact CG2-CH2 4.36Å; V1728-W1731 HydrophobicContact CG2-CZ2 3.97Å; W1731-A1736 HydrophobicContact CB-CB 4.06Å; W1731-L1739 HydrophobicContact CE3-CD1 4.31Å; W1731-L1739 HydrophobicContact CZ3-CD1 4.1Å; W1731-L1741 HydrophobicContact CD2-CD1 3.75Å; W1731-L1741 HydrophobicContact CE3-CD1 4.35Å; W1731-L1741 HydrophobicContact CG-CD1 3.94Å; W1731-L1741 HydrophobicContact CZ2-CD1 4.14Å |
| 1732 | D | 86 | Confident | 77.9 | Confident | 23 Ų | 23 | 80.5 Ų | 80.5 | 12% | 0.123 | 40% | 0.401 | C | S | . | . | trans | -57.2 | 141.2 | 164.6 | 174.1 | -76.4 | 0 | 0 | 0 | 110.5 | S1603 Y1604 A1718 E1734 L1735 A1736 | S1603-D1732 VanDerWaalsContact CA-OD2 3.25Å; S1603-D1732 WeakPolarHBondContact CA-OD2 3.24Å; S1603-D1732 WeakPolarHBondContact CB-OD2 3.5Å; Y1604-D1732 PolarHBondContact N-OD2 3.48Å; Y1604-D1732 VanDerWaalsContact N-OD2 3.16Å; A1718-D1732 WeakPolarHBondContact O-CB 3.3Å; A1718-D1732 PolarHBondContact O-N 3.44Å; D1732-E1734 VanDerWaalsContact C-N 3.32Å; D1732-E1734 PolarHBondContact O-N 2.89Å; D1732-E1734 PolarHBondContact OD1-N 3.25Å; D1732-L1735 HydrophobicContact CB-CB 4.22Å; D1732-L1735 HydrophobicContact CB-CD1 4.2Å; D1732-L1735 PolarHBondContact OD1-N 3.41Å; D1732-L1735 VanDerWaalsContact OD1-N 3.13Å; D1732-A1736 VanDerWaalsContact O-CB 3.26Å; D1732-A1736 WeakPolarHBondContact O-CB 3.36Å; D1732-A1736 PolarHBondContact O-N 3.33Å | ||
| 1733 | T | 79.6 | Confident | 76.1 | Confident | 101 Ų | 101 | 84 Ų | 84 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -21.8 | -169.3 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | K1737 | T1733-K1737 WeakPolarHBondContact O-CD 3.48Å; T1733-K1737 WeakPolarHBondContact O-CE 3.31Å; T1733-K1737 WeakPolarHBondContact O-CG 3.38Å |
| 1734 | E | 77.1 | Confident | 74.4 | Confident | 91 Ų | 91 | 89.9 Ų | 89.9 | 43% | 0.425 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -42.3 | 176.6 | -66.8 | 177.3 | 179.2 | 0 | 0 | 110.4 | Y1604 G1605 D1732 A1736 K1737 I1738 | Y1604-E1734 HydrophobicContact CD1-CB 4.34Å; G1605-E1734 WeakPolarHBondContact CA-OE2 3.47Å; G1605-E1734 PolarHBondContact N-OE2 2.93Å; D1732-E1734 VanDerWaalsContact C-N 3.32Å; D1732-E1734 PolarHBondContact O-N 2.89Å; D1732-E1734 PolarHBondContact OD1-N 3.25Å; E1734-A1736 PolarHBondContact O-N 3.36Å; E1734-K1737 WeakPolarHBondContact O-CB 3.5Å; E1734-K1737 PolarHBondContact O-N 3.38Å; E1734-I1738 WeakPolarHBondContact O-CG1 3.11Å; E1734-I1738 PolarHBondContact O-N 3.09Å; E1734-I1738 VanDerWaalsContact O-N 3.12Å |
| 1735 | L | 79.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 92.4 Ų | 92.4 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 172.6 | -84 | 162.6 | 0 | 0 | 0 | 113.2 | I1576 Y1604 F1716 A1718 D1732 K1737 I1738 L1739 | I1576-L1735 HydrophobicContact CD1-CD2 3.4Å; Y1604-L1735 HydrophobicContact CD1-CG 4.16Å; Y1604-L1735 HydrophobicContact CD2-CD1 3.88Å; Y1604-L1735 HydrophobicContact CD2-CD2 4.02Å; Y1604-L1735 HydrophobicContact CD2-CG 3.91Å; Y1604-L1735 HydrophobicContact CE2-CD2 4.15Å; Y1604-L1735 HydrophobicContact CG-CD1 3.92Å; Y1604-L1735 HydrophobicContact CG-CD2 4.19Å; Y1604-L1735 HydrophobicContact CG-CG 3.69Å; F1716-L1735 HydrophobicContact CD2-CD1 4.2Å; F1716-L1735 HydrophobicContact CE2-CD1 3.36Å; F1716-L1735 HydrophobicContact CZ-CD1 4.02Å; A1718-L1735 HydrophobicContact CB-CD1 4.08Å; D1732-L1735 HydrophobicContact CB-CB 4.22Å; D1732-L1735 HydrophobicContact CB-CD1 4.2Å; D1732-L1735 PolarHBondContact OD1-N 3.41Å; D1732-L1735 VanDerWaalsContact OD1-N 3.13Å; L1735-K1737 PolarHBondContact O-N 3.03Å; L1735-I1738 PolarHBondContact O-N 3.49Å; L1735-I1738 VanDerWaalsContact O-N 3.12Å; L1735-L1739 WeakPolarHBondContact O-CB 3.21Å; L1735-L1739 VanDerWaalsContact O-CG 3.31Å; L1735-L1739 WeakPolarHBondContact O-CG 3.4Å; L1735-L1739 PolarHBondContact O-N 3.37Å |
| 1736 | A | 78.3 | Confident | 69.9 | Low | 8 Ų | 8 | 91 Ų | 91 | 7% | 0.066 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -58.8 | -32.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1731 D1732 E1734 N1740 L1741 | W1731-A1736 HydrophobicContact CB-CB 4.06Å; D1732-A1736 VanDerWaalsContact O-CB 3.26Å; D1732-A1736 WeakPolarHBondContact O-CB 3.36Å; D1732-A1736 PolarHBondContact O-N 3.33Å; E1734-A1736 PolarHBondContact O-N 3.36Å; A1736-N1740 PolarHBondContact O-N 3.05Å; A1736-L1741 HydrophobicContact CB-CB 4.48Å; A1736-L1741 PolarHBondContact O-N 3.24Å |
| 1737 | K | 77.4 | Confident | 67.7 | Low | 142 Ų | 142 | 95.8 Ų | 95.8 | 62% | 0.617 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -71.6 | -46.1 | 174.3 | -65.2 | 166.6 | -172 | 170.5 | 0 | 111.4 | T1733 E1734 L1735 L1739 N1740 | T1733-K1737 WeakPolarHBondContact O-CD 3.48Å; T1733-K1737 WeakPolarHBondContact O-CE 3.31Å; T1733-K1737 WeakPolarHBondContact O-CG 3.38Å; E1734-K1737 WeakPolarHBondContact O-CB 3.5Å; E1734-K1737 PolarHBondContact O-N 3.38Å; L1735-K1737 PolarHBondContact O-N 3.03Å; K1737-L1739 VanDerWaalsContact C-N 3.33Å; K1737-L1739 PolarHBondContact O-N 3.47Å; K1737-N1740 PolarHBondContact O-N 3.45Å; K1737-N1740 VanDerWaalsContact O-N 3.12Å |
| 1738 | I | 74.4 | Confident | 67 | Low | 95 Ų | 95 | 97.4 Ų | 97.4 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | -179.9 | -66.6 | 165.2 | 0 | 0 | 0 | 110.9 | Y1604 E1734 L1735 N1740 | Y1604-I1738 HydrophobicContact CD1-CD1 4.01Å; Y1604-I1738 HydrophobicContact CE1-CD1 3.41Å; Y1604-I1738 VanDerWaalsContact CE1-CD1 3.41Å; E1734-I1738 WeakPolarHBondContact O-CG1 3.11Å; E1734-I1738 PolarHBondContact O-N 3.09Å; E1734-I1738 VanDerWaalsContact O-N 3.12Å; L1735-I1738 PolarHBondContact O-N 3.49Å; L1735-I1738 VanDerWaalsContact O-N 3.12Å; I1738-N1740 PolarHBondContact O-N 3.37Å |
| 1739 | L | 73 | Confident | 66.1 | Low | 48 Ų | 48 | 102.1 Ų | 102.1 | 25% | 0.251 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 2.1 | 178.7 | -61.5 | 169.1 | 0 | 0 | 0 | 113.7 | L1572 V1573 W1731 L1735 K1737 L1741 | L1572-L1739 WeakPolarHBondContact O-CD2 3.44Å; V1573-L1739 HydrophobicContact CG1-CD1 3.54Å; V1573-L1739 HydrophobicContact CG1-CD2 4.3Å; V1573-L1739 HydrophobicContact CG1-CG 4.47Å; W1731-L1739 HydrophobicContact CE3-CD1 4.31Å; W1731-L1739 HydrophobicContact CZ3-CD1 4.1Å; L1735-L1739 WeakPolarHBondContact O-CB 3.21Å; L1735-L1739 VanDerWaalsContact O-CG 3.31Å; L1735-L1739 WeakPolarHBondContact O-CG 3.4Å; L1735-L1739 PolarHBondContact O-N 3.37Å; K1737-L1739 VanDerWaalsContact C-N 3.33Å; K1737-L1739 PolarHBondContact O-N 3.47Å; L1739-L1741 HydrophobicContact CB-CD1 3.95Å; L1739-L1741 HydrophobicContact CB-CG 3.76Å; L1739-L1741 HydrophobicContact CD1-CD1 3.81Å; L1739-L1741 PolarHBondContact O-N 3.36Å; L1739-L1741 VanDerWaalsContact O-N 3.07Å |
| 1740 | N | 67.5 | Low | 65.2 | Low | 145 Ų | 145 | 104.2 Ų | 104.2 | 78% | 0.775 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 28.4 | -172.8 | -70.9 | -62.5 | 0 | 0 | 0 | 114.2 | A1736 K1737 I1738 K1742 | A1736-N1740 PolarHBondContact O-N 3.05Å; K1737-N1740 PolarHBondContact O-N 3.45Å; K1737-N1740 VanDerWaalsContact O-N 3.12Å; I1738-N1740 PolarHBondContact O-N 3.37Å; N1740-K1742 PolarHBondContact O-N 3.06Å |
| 1741 | L | 66.7 | Low | 64.1 | Low | 52 Ų | 52 | 105.4 Ų | 105.4 | 27% | 0.272 | 50% | 0.504 | S | S | . | . | trans | -71.1 | 116.6 | 179.2 | -69.9 | 173.1 | 0 | 0 | 0 | 109.1 | L1572 W1731 A1736 L1739 T1743 | L1572-L1741 HydrophobicContact CD1-CD2 4.32Å; W1731-L1741 HydrophobicContact CD2-CD1 3.75Å; W1731-L1741 HydrophobicContact CE3-CD1 4.35Å; W1731-L1741 HydrophobicContact CG-CD1 3.94Å; W1731-L1741 HydrophobicContact CZ2-CD1 4.14Å; A1736-L1741 HydrophobicContact CB-CB 4.48Å; A1736-L1741 PolarHBondContact O-N 3.24Å; L1739-L1741 HydrophobicContact CB-CD1 3.95Å; L1739-L1741 HydrophobicContact CB-CG 3.76Å; L1739-L1741 HydrophobicContact CD1-CD1 3.81Å; L1739-L1741 PolarHBondContact O-N 3.36Å; L1739-L1741 VanDerWaalsContact O-N 3.07Å; L1741-T1743 PolarHBondContact O-N 3.48Å | ||
| 1742 | K | 50.5 | Low | 62.8 | Low | 179 Ų | 179 | 108.4 Ų | 108.4 | 78% | 0.778 | 52% | 0.522 | S | S | * | . | trans | -59.2 | 110.5 | 170 | -73.5 | -179.4 | 179.7 | 175.1 | 0 | 108.3 | N1740 H1744 | N1740-K1742 PolarHBondContact O-N 3.06Å; K1742-H1744 VanDerWaalsContact C-N 3.31Å; K1742-H1744 PolarHBondContact O-CD2 2.91Å; K1742-H1744 VanDerWaalsContact O-CD2 3.3Å; K1742-H1744 PolarHBondContact O-N 3.13Å | ||
| 1743 | T | 46.8 | Very low | 61.2 | Low | 107 Ų | 107 | 114.1 Ų | 114.1 | 66% | 0.656 | 55% | 0.549 | S | S | * | . | trans | -62.4 | 95.1 | 170.3 | 56 | 0 | 0 | 0 | 0 | 108.2 | L1741 K1745 | L1741-T1743 PolarHBondContact O-N 3.48Å; T1743-K1745 VanDerWaalsContact C-N 3.32Å; T1743-K1745 PolarHBondContact O-N 3.11Å | ||
| 1744 | H | 43.3 | Very low | 59.9 | Low | 162 Ų | 162 | 115.1 Ų | 115.1 | 75% | 0.75 | 54% | 0.544 | S | S | * | . | trans | -65.9 | 93.2 | 175.5 | -81.3 | -87 | 0 | 0 | 0 | 108.7 | K1742 N1746 | K1742-H1744 VanDerWaalsContact C-N 3.31Å; K1742-H1744 PolarHBondContact O-CD2 2.91Å; K1742-H1744 VanDerWaalsContact O-CD2 3.3Å; K1742-H1744 PolarHBondContact O-N 3.13Å; H1744-N1746 PolarHBondContact O-N 2.9Å | ||
| 1745 | K | 38.1 | Very low | 58.6 | Low | 193 Ų | 193 | 116.9 Ų | 116.9 | 84% | 0.839 | 55% | 0.553 | S | S | * | * | trans | -66.5 | 8.9 | 175.3 | -79.7 | -171.5 | 171.8 | -175.9 | 0 | 114.3 | T1743 | T1743-K1745 VanDerWaalsContact C-N 3.32Å; T1743-K1745 PolarHBondContact O-N 3.11Å | ||
| 1746 | N | 31.1 | Very low | 56.8 | Low | 146 Ų | 146 | 126.7 Ų | 126.7 | 78% | 0.781 | 60% | 0.599 | S | S | * | * | trans | -121.7 | 83.8 | 178.7 | -66.3 | -0 | 0 | 0 | 0 | 109.5 | H1744 | H1744-N1746 PolarHBondContact O-N 2.9Š| ||
| 1747 | R | 34.9 | Very low | 54.9 | Low | 243 Ų | 243 | 137.5 Ų | 137.5 | 92% | 0.917 | 65% | 0.648 | S | S | * | * | trans | -149.8 | 0 | 156.9 | -99 | -166.8 | 177 | 179.3 | -0.6 | 109 |
Retrieved 1,747 of 1,747 residues in 721.3 ms
(Link to these results)