| 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 | 33.6 | Very low | 35.7 | Very low | 221 Ų | 221 | 142 Ų | 142 | 100% | 1.089 | 84% | 0.836 | S | S | * | * | 0 | 122.1 | 0 | -92.2 | -157.4 | -179 | 0 | 0 | 108.1 | |||||
| 2 | F | 32.4 | Very low | 36.2 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | 55.9 | 163.1 | 168.4 | -64.8 | -82.5 | 0 | 0 | 0 | 117 | ||||
| 3 | S | 34.1 | Very low | 36.1 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | cis | -151.8 | 158.8 | -40.6 | -162.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | S | 39.9 | Very low | 36.1 | Very low | 103 Ų | 103 | 152.5 Ų | 152.5 | 72% | 0.72 | 83% | 0.829 | S | S | * | * | trans | -61.9 | 166.9 | 174.2 | -45.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 5 | C | 39.5 | Very low | 36.2 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 72% | 0.723 | 82% | 0.817 | S | S | * | * | 111.9 | 146.5 | 122.1 | -117.4 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 6 | L | 36.7 | Very low | 36.2 | Very low | 154 Ų | 154 | 155.2 Ų | 155.2 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | trans | 72 | 152.4 | 161 | -52.6 | 158.7 | 0 | 0 | 0 | 115.7 | ||||
| 7 | L | 36.3 | Very low | 35.9 | Very low | 156 Ų | 156 | 149.9 Ų | 149.9 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | cis | -142.6 | 162 | 2.4 | -163.6 | 64.9 | 0 | 0 | 0 | 111.1 | ||||
| 8 | A | 37 | Very low | 35.8 | Very low | 96 Ų | 96 | 148.9 Ų | 148.9 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | -83.2 | 160.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 9 | G | 31.9 | Very low | 35.6 | Very low | 79 Ų | 79 | 146.5 Ų | 146.5 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | -152.8 | 112.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 10 | F | 37 | Very low | 35.4 | Very low | 211 Ų | 211 | 147.8 Ų | 147.8 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -82.4 | 147.5 | 175.2 | -109.9 | -111 | 0 | 0 | 0 | 112.1 | ||||
| 11 | C | 34.1 | Very low | 35.4 | Very low | 137 Ų | 137 | 145 Ų | 145 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | trans | -161.5 | 153 | 144 | -110.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 12 | H | 41.7 | Very low | 36.3 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | trans | -158.8 | 124.5 | -165.6 | 174.6 | -106.5 | 0 | 0 | 0 | 112.6 | ||||
| 13 | K | 34.9 | Very low | 36.1 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -164.2 | 129.9 | 169.7 | -100.4 | 155 | -179.9 | 176.7 | 0 | 107.7 | ||||
| 14 | R | 36.9 | Very low | 35.9 | Very low | 215 Ų | 215 | 137.4 Ų | 137.4 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | 70.3 | 137.9 | 68.7 | -74.1 | -168.1 | 172.2 | -168.3 | 1.5 | 113.5 | |||||
| 15 | I | 37.7 | Very low | 35.4 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 64% | 0.641 | 80% | 0.796 | S | S | * | * | cis | -166.2 | 154 | -7.1 | -118 | 174.6 | 0 | 0 | 0 | 110.2 | ||||
| 16 | Y | 35.1 | Very low | 34.9 | Very low | 223 Ų | 223 | 138.6 Ų | 138.6 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | 33.5 | 148.3 | 158.3 | -77.4 | -116.9 | 0 | 0 | 0 | 124.1 | ||||
| 17 | G | 31.7 | Very low | 34.7 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | 155.1 | 103.4 | 134.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 18 | S | 33.2 | Very low | 34.5 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 92% | 0.923 | 78% | 0.78 | S | S | * | * | trans | 50.8 | 127.8 | 135.6 | -51.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 19 | A | 32 | Very low | 34.4 | Very low | 103 Ų | 103 | 147 Ų | 147 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -169.9 | 157 | 137.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 20 | L | 33 | Very low | 35.5 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -148.5 | 146.5 | -174.6 | -94.6 | 170.2 | 0 | 0 | 0 | 114.4 | ||||
| 21 | A | 34.5 | Very low | 35 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 63.4 | -174.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 22 | P | 52.9 | Low | 34.7 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | cis | -138.9 | -165.7 | -3.4 | 37.9 | -15.9 | 0 | 0 | 0 | 116.2 | ||||
| 23 | C | 27.3 | Very low | 35.2 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | 78.3 | 149 | 154.1 | -64.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 24 | E | 31.2 | Very low | 34.8 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 64% | 0.64 | 76% | 0.763 | S | S | * | * | cis | -161.4 | 163 | -7.6 | -116.9 | -69.4 | 72.8 | 0 | 0 | 113.6 | ||||
| 25 | F | 28.8 | Very low | 34.3 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | trans | 31 | 163.1 | 151.7 | -100.2 | -142.1 | 0 | 0 | 0 | 123.7 | ||||
| 26 | C | 28.5 | Very low | 33.9 | Very low | 61 Ų | 61 | 137.8 Ų | 137.8 | 41% | 0.412 | 77% | 0.768 | S | S | . | * | cis | 169.9 | 146.9 | -27.3 | 174.1 | 0 | 0 | 0 | 0 | 108.6 | K28 | C26-K28 PolarHBondContact SG-NZ 2.65Š| ||
| 27 | M | 33.8 | Very low | 33.9 | Very low | 174 Ų | 174 | 133 Ų | 133 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -177.5 | 160.7 | 144.1 | -102.9 | -57.2 | 167.8 | 0 | 0 | 113.1 | ||||
| 28 | K | 31.6 | Very low | 33.9 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | trans | -146 | 177.2 | -177.2 | -53.2 | 94.1 | 174.8 | -174.6 | 0 | 109.8 | C26 | C26-K28 PolarHBondContact SG-NZ 2.65Š| ||
| 29 | R | 34.1 | Very low | 34.3 | Very low | 238 Ų | 238 | 138 Ų | 138 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | cis | -137.1 | -85 | 8.7 | -176.5 | -175.5 | -174 | -176.6 | 2.5 | 115.2 | ||||
| 30 | P | 55.2 | Low | 34 | Very low | 86 Ų | 86 | 139.3 Ų | 139.3 | 56% | 0.558 | 76% | 0.757 | S | S | * | * | trans | -137.6 | -180 | -160.3 | 43.8 | -23.4 | 0 | 0 | 0 | 117.5 | ||||
| 31 | F | 26.1 | Very low | 33.8 | Very low | 198 Ų | 198 | 139 Ų | 139 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | -175.5 | 174.5 | 115.8 | -107.2 | -73.1 | 0 | 0 | 0 | 112.1 | |||||
| 32 | S | 29.2 | Very low | 33.4 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -130.9 | -169.2 | -162.5 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 33 | P | 52.1 | Low | 32.2 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -89.7 | 173.2 | -150.7 | 38.7 | -41.3 | 0 | 0 | 0 | 116.4 | ||||
| 34 | S | 26.8 | Very low | 32.2 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -135.7 | 168.1 | 162 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 35 | S | 26.7 | Very low | 32.3 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -155.2 | -173.1 | -174.4 | -69.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 36 | F | 27.2 | Very low | 32.4 | Very low | 202 Ų | 202 | 145.1 Ų | 145.1 | 89% | 0.886 | 77% | 0.772 | S | S | * | * | trans | 78.2 | 154.5 | 178.6 | -49.9 | -72.8 | 0 | 0 | 0 | 116.5 | ||||
| 37 | P | 36.7 | Very low | 32.5 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | cis | -128 | -179 | -24.9 | 28.9 | -7.9 | 0 | 0 | 0 | 114.3 | ||||
| 38 | F | 30.9 | Very low | 32.3 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -79.1 | 168.5 | 173 | -77 | -104.9 | 0 | 0 | 0 | 112.4 | ||||
| 39 | P | 41.5 | Very low | 32 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | -133.9 | 158.7 | 84.1 | 26.8 | -8.1 | 0 | 0 | 0 | 115.4 | |||||
| 40 | D | 25.4 | Very low | 31.8 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -85 | 167.9 | 172.9 | -75.2 | -80.9 | 0 | 0 | 0 | 113.5 | ||||
| 41 | L | 28.7 | Very low | 31.3 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -148.8 | 105.8 | 145 | -159.6 | 71.6 | 0 | 0 | 0 | 112.7 | ||||
| 42 | E | 26.1 | Very low | 31.4 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 40.2 | 122.9 | 148.6 | -66.7 | -56.7 | 104.2 | 0 | 0 | 121.8 | ||||
| 43 | R | 29 | Very low | 31.6 | Very low | 240 Ų | 240 | 147 Ų | 147 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -126 | 96.2 | 150.2 | -171.5 | -178.6 | -170 | -144.9 | -1.8 | 110.3 | ||||
| 44 | S | 27.7 | Very low | 30.5 | Very low | 105 Ų | 105 | 149.9 Ų | 149.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -61.1 | 141.1 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 45 | S | 31.6 | Very low | 30.5 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -108.9 | 143.8 | 178.2 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 46 | V | 31.5 | Very low | 30.6 | Very low | 142 Ų | 142 | 152 Ų | 152 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -139.3 | 131.5 | 149.9 | -173 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 47 | G | 31.3 | Very low | 30.8 | Very low | 76 Ų | 76 | 151.8 Ų | 151.8 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -125.9 | 146.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 48 | R | 28.7 | Very low | 30.2 | Very low | 243 Ų | 243 | 151.7 Ų | 151.7 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -151.4 | 141.2 | 171.1 | -166.4 | 170.7 | -177.6 | 169.8 | 2.2 | 110 | ||||
| 49 | E | 25.8 | Very low | 29.9 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -101.4 | 158.1 | 177.5 | -84.9 | -145.6 | 138.8 | 0 | 0 | 112.7 | ||||
| 50 | Q | 29.2 | Very low | 29 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | 63.6 | 164.2 | 151.9 | -72.8 | 176 | 64.4 | 0 | 0 | 118.2 | ||||
| 51 | P | 45.9 | Very low | 29.1 | Very low | 106 Ų | 106 | 151.9 Ų | 151.9 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | cis | -131 | -179.4 | -45.2 | 38 | -24 | 0 | 0 | 0 | 111.1 | ||||
| 52 | I | 28.2 | Very low | 29.1 | Very low | 177 Ų | 177 | 152 Ų | 152 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | trans | -178.3 | 154 | 146.9 | -99.1 | 152.6 | 0 | 0 | 0 | 110.1 | ||||
| 53 | Q | 32.6 | Very low | 29.2 | Very low | 165 Ų | 165 | 150.5 Ų | 150.5 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | -127.4 | 136.7 | 178.3 | 166.1 | -169.3 | -12.7 | 0 | 0 | 108.7 | ||||
| 54 | M | 29.2 | Very low | 29 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -175.1 | 163.6 | 144.8 | -108.1 | 168.8 | -178.2 | 0 | 0 | 113 | ||||
| 55 | D | 27.3 | Very low | 29.2 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -90.4 | 159.9 | -165.6 | -50.7 | -100.6 | 0 | 0 | 0 | 114.5 | ||||
| 56 | S | 27.9 | Very low | 29.2 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -161.4 | 116 | 154.8 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 57 | E | 30.8 | Very low | 29.1 | Very low | 198 Ų | 198 | 148.1 Ų | 148.1 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -89.2 | 143.8 | 168.7 | -60.3 | 180 | 119 | 0 | 0 | 110.8 | ||||
| 58 | S | 25.1 | Very low | 29 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -161 | 115.3 | 157.4 | 65.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 59 | C | 24.5 | Very low | 29 | Very low | 114 Ų | 114 | 146 Ų | 146 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -90.3 | 153.8 | 171.4 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 60 | F | 23.6 | Very low | 29.2 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | trans | -167.7 | 116.3 | 142.8 | -87.3 | -64.7 | 0 | 0 | 0 | 105.1 | ||||
| 61 | E | 27.1 | Very low | 29.1 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 58% | 0.579 | 76% | 0.759 | S | S | * | * | cis | 77.4 | 95.3 | 36 | -163.5 | 179.3 | -151.9 | 0 | 0 | 114.8 | Q63 | E61-Q63 HydrophobicContact CG-CB 4.22Å; E61-Q63 PolarHBondContact OE1-NE2 2.79Å | ||
| 62 | I | 27.3 | Very low | 28.4 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 86% | 0.862 | 76% | 0.759 | S | S | * | * | trans | -150.7 | 112.7 | 134 | -58.8 | -171.2 | 0 | 0 | 0 | 103.3 | ||||
| 63 | Q | 28.8 | Very low | 28.3 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | cis | 80.2 | 103.2 | 32.7 | -162 | 169.2 | 77.8 | 0 | 0 | 114.3 | E61 E65 | E61-Q63 HydrophobicContact CG-CB 4.22Å; E61-Q63 PolarHBondContact OE1-NE2 2.79Å; Q63-E65 HydrophobicContact CG-CG 4.15Å | ||
| 64 | D | 25 | Very low | 28.3 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | -144.4 | 133.9 | 148 | -163.4 | -140.7 | 0 | 0 | 0 | 106.8 | ||||
| 65 | E | 32.7 | Very low | 28.3 | Very low | 162 Ų | 162 | 138 Ų | 138 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | -125.3 | 165.6 | -155.3 | -91.2 | -69.3 | 153.4 | 0 | 0 | 114 | Q63 | Q63-E65 HydrophobicContact CG-CG 4.15Š| ||
| 66 | G | 31.2 | Very low | 28.4 | Very low | 59 Ų | 59 | 134.7 Ų | 134.7 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | trans | 102.6 | 144.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 67 | E | 28.2 | Very low | 28.6 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -152.5 | 162.4 | 6.1 | -73.2 | -103.8 | 93.6 | 0 | 0 | 106.7 | ||||
| 68 | K | 28.9 | Very low | 28.6 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | cis | -169.1 | 170.2 | -4.7 | -115.6 | -169.4 | 170.8 | 72.8 | 0 | 105.6 | ||||
| 69 | L | 29.5 | Very low | 28.8 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 67% | 0.665 | 75% | 0.746 | S | S | * | * | cis | -167.5 | 146.4 | -11.6 | -176.6 | 63 | 0 | 0 | 0 | 107.5 | ||||
| 70 | H | 31.1 | Very low | 29.4 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 73% | 0.731 | 74% | 0.742 | S | S | * | * | trans | 64.4 | 156.8 | 160.3 | -93.1 | -130.8 | 0 | 0 | 0 | 118.5 | ||||
| 71 | D | 27 | Very low | 30.2 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | cis | -149.9 | 159.5 | -14.4 | -161.9 | -145.4 | 0 | 0 | 0 | 113.4 | ||||
| 72 | T | 29.7 | Very low | 30.7 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | trans | -2 | 130.3 | 154.6 | -52.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 73 | S | 27.8 | Very low | 30.7 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | -176.7 | 166.1 | 116.3 | -162.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 74 | H | 30.8 | Very low | 31 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | trans | -111 | 163.6 | 180 | -63.8 | -19.4 | 0 | 0 | 0 | 112.6 | ||||
| 75 | G | 29.1 | Very low | 31.6 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | 128.6 | 112.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 76 | G | 30.6 | Very low | 31.5 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -117.9 | 169.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 77 | T | 31.9 | Very low | 31.9 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -154.9 | 120 | 164.3 | -83.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 78 | R | 31.4 | Very low | 32.4 | Very low | 209 Ų | 209 | 150 Ų | 150 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | trans | 44.5 | 132.5 | 148.7 | -69.8 | -173.7 | 175.3 | -88.5 | -1.6 | 124 | ||||
| 79 | H | 29.3 | Very low | 33 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | trans | 84.1 | 122.6 | 142.9 | -83.4 | -67.3 | 0 | 0 | 0 | 121.8 | ||||
| 80 | S | 35.8 | Very low | 33 | Very low | 96 Ų | 96 | 155.6 Ų | 155.6 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | -93.1 | 161.5 | 170.3 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 81 | P | 41.1 | Very low | 33.5 | Very low | 123 Ų | 123 | 156.1 Ų | 156.1 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | -133 | 163.3 | 81.3 | 13 | 9.5 | 0 | 0 | 0 | 114.8 | |||||
| 82 | P | 36.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 159.1 Ų | 159.1 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 124.9 | -169.7 | 32.1 | -35.2 | 0 | 0 | 0 | 114.8 | ||
| 83 | Y | 28.2 | Very low | 35.2 | Very low | 208 Ų | 208 | 159.1 Ų | 159.1 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 123.2 | 167.8 | -170.2 | -94.3 | 0 | 0 | 0 | 110.9 | P85 | Y83-P85 WeakPolarHBondContact O-CD 3.24Š|
| 84 | R | 35.2 | Very low | 36.6 | Very low | 225 Ų | 225 | 158.7 Ų | 158.7 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 126.6 | -178.1 | -84.8 | -167.8 | 169.5 | -155.4 | -2.1 | 112.5 | K86 | R84-K86 PolarHBondContact O-N 2.97Š|
| 85 | P | 37.3 | Very low | 38.9 | Very low | 125 Ų | 125 | 152.4 Ų | 152.4 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 127.5 | 170 | -26.2 | 36.3 | 0 | 0 | 0 | 112.4 | Y83 R87 | Y83-P85 WeakPolarHBondContact O-CD 3.24Å; P85-R87 PolarHBondContact O-N 2.93Å |
| 86 | K | 31.1 | Very low | 41.6 | Very low | 190 Ų | 190 | 153.5 Ų | 153.5 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -71 | 123 | -179.8 | -161.6 | 170.5 | -172.9 | 170.8 | 0 | 108.8 | R84 E88 | R84-K86 PolarHBondContact O-N 2.97Å; K86-E88 PolarHBondContact O-N 2.88Å |
| 87 | R | 39.4 | Very low | 44.5 | Very low | 250 Ų | 250 | 150 Ų | 150 | 94% | 0.943 | 71% | 0.705 | S | S | * | * | trans | -48.1 | 108 | -175.5 | -99.2 | -176.4 | 173 | 163.3 | -1.5 | 112 | P85 | P85-R87 PolarHBondContact O-N 2.93Š| ||
| 88 | E | 37.9 | Very low | 47.1 | Very low | 181 Ų | 181 | 151.4 Ų | 151.4 | 85% | 0.846 | 70% | 0.702 | S | S | * | * | trans | -63.7 | 146.7 | 172.7 | -71.6 | -162 | 106.6 | 0 | 0 | 111.8 | K86 K90 | K86-E88 PolarHBondContact O-N 2.88Å; E88-K90 PolarHBondContact O-N 2.74Å | ||
| 89 | R | 41.9 | Very low | 49.9 | Very low | 197 Ų | 197 | 143 Ų | 143 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | trans | -78.9 | 69.1 | 177.7 | -173.4 | 173.7 | 170.4 | 172.5 | -6.1 | 109.8 | Q91 | R89-Q91 PolarHBondContact O-N 2.9Š| ||
| 90 | K | 29.5 | Very low | 52.7 | Low | 194 Ų | 194 | 136 Ų | 136 | 84% | 0.843 | 64% | 0.643 | S | S | * | * | trans | -38.8 | 124.3 | -174.3 | -163.2 | 166.8 | -170.7 | 168.1 | 0 | 112 | E88 R92 | E88-K90 PolarHBondContact O-N 2.74Å; K90-R92 PolarHBondContact O-N 3.22Å | ||
| 91 | Q | 41 | Very low | 55.1 | Low | 169 Ų | 169 | 137.2 Ų | 137.2 | 79% | 0.79 | 64% | 0.642 | S | S | * | * | trans | -54.5 | 138.3 | -177.4 | -65.1 | 179.7 | -3.1 | 0 | 0 | 110.8 | R89 T93 | R89-Q91 PolarHBondContact O-N 2.9Å; Q91-T93 PolarHBondContact O-N 3.5Å | ||
| 92 | R | 45.2 | Very low | 57.3 | Low | 180 Ų | 180 | 135 Ų | 135 | 68% | 0.679 | 62% | 0.623 | S | S | * | * | trans | -79.2 | 86.2 | 176.8 | -72.6 | -172.6 | 175.6 | -164.5 | -1.2 | 110.1 | K90 Y94 | K90-R92 PolarHBondContact O-N 3.22Å; R92-Y94 VanDerWaalsContact C-N 3.31Å; R92-Y94 HydrophobicContact CB-CD2 4.37Å; R92-Y94 HydrophobicContact CB-CE1 4.43Å; R92-Y94 HydrophobicContact CB-CE2 3.8Å; R92-Y94 VanDerWaalsContact CD-OH 3.26Å; R92-Y94 WeakPolarHBondContact CD-OH 3.49Å; R92-Y94 WeakPolarHBondContact O-CD2 3.25Å; R92-Y94 WeakPolarHBondContact O-CE2 3.13Å; R92-Y94 PolarHBondContact O-N 3.45Å | ||
| 93 | T | 48.8 | Very low | 59.7 | Low | 111 Ų | 111 | 134.1 Ų | 134.1 | 68% | 0.681 | 61% | 0.608 | S | S | * | * | trans | -68.8 | 87.1 | 169.9 | 46.7 | 0 | 0 | 0 | 0 | 110.1 | Q91 T95 | Q91-T93 PolarHBondContact O-N 3.5Å; T93-T95 PolarHBondContact O-N 3.45Å | ||
| 94 | Y | 55.9 | Low | 62.7 | Low | 103 Ų | 103 | 124.4 Ų | 124.4 | 40% | 0.404 | 57% | 0.57 | S | S | . | * | trans | -69.1 | 115.5 | 173 | -59.2 | -80.8 | 0 | 0 | 0 | 109.4 | R92 Q103 L104 N105 | R92-Y94 VanDerWaalsContact C-N 3.31Å; R92-Y94 HydrophobicContact CB-CD2 4.37Å; R92-Y94 HydrophobicContact CB-CE1 4.43Å; R92-Y94 HydrophobicContact CB-CE2 3.8Å; R92-Y94 VanDerWaalsContact CD-OH 3.26Å; R92-Y94 WeakPolarHBondContact CD-OH 3.49Å; R92-Y94 WeakPolarHBondContact O-CD2 3.25Å; R92-Y94 WeakPolarHBondContact O-CE2 3.13Å; R92-Y94 PolarHBondContact O-N 3.45Å; Y94-Q103 HydrophobicContact CD1-CG 4.29Å; Y94-Q103 HydrophobicContact CG-CG 4.43Å; Y94-L104 WeakPolarHBondContact CA-O 3.19Å; Y94-N105 HydrophobicContact CE1-CB 4.48Å; Y94-N105 WeakPolarHBondContact CE1-OD1 3.26Å | ||
| 95 | T | 78.6 | Confident | 65 | Low | 56 Ų | 56 | 117.8 Ų | 117.8 | 34% | 0.344 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91 | 129.7 | 173.6 | 38.9 | 0 | 0 | 0 | 0 | 109.1 | T93 L104 | T93-T95 PolarHBondContact O-N 3.45Å; T95-L104 PolarHBondContact N-O 3.31Å; T95-L104 VanDerWaalsContact N-O 3.11Å; T95-L104 WeakPolarHBondContact O-CA 3.4Å; T95-L104 VanDerWaalsContact O-CB 3.28Å; T95-L104 WeakPolarHBondContact O-CB 3.13Å; T95-L104 PolarHBondContact O-N 3.33Å |
| 96 | L | 87.3 | Confident | 67.4 | Low | 106 Ų | 106 | 114.8 Ų | 114.8 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.6 | 178 | -114.9 | 162.7 | 0 | 0 | 0 | 108.9 | E98 Q103 | L96-E98 PolarHBondContact O-N 2.79Å; L96-Q103 HydrophobicContact CD2-CB 4.27Å; L96-Q103 HydrophobicContact CG-CB 4.2Å; L96-Q103 HydrophobicContact CG-CG 4.42Å |
| 97 | C | 90.7 | Very high | 70.1 | Confident | 1 Ų | 1 | 109.1 Ų | 109.1 | 1% | 0.007 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 105.4 | 172.4 | 170 | 0 | 0 | 0 | 0 | 109.1 | C100 N101 I102 L104 H113 Y114 H119 | C97-C100 PolarHBondContact O-N 3.49Å; C97-N101 WeakPolarHBondContact O-CA 3.4Å; C97-N101 PolarHBondContact O-N 3.09Å; C97-I102 PolarHBondContact N-O 3.39Å; C97-I102 PolarHBondContact O-N 3.42Å; C97-L104 HydrophobicContact CB-CD1 3.79Å; C97-H113 VanDerWaalsContact SG-CD2 3.56Å; C97-H113 PolarHBondContact SG-NE2 3.41Å; C97-Y114 HydrophobicContact CB-CE1 4.09Å; C97-H119 PolarHBondContact SG-CE1 3.15Å; C97-H119 PolarHBondContact SG-ND1 2.99Å; C97-H119 VanDerWaalsContact SG-ND1 3.37Å |
| 98 | E | 87.3 | Confident | 72.4 | Confident | 165 Ų | 165 | 99.5 Ų | 99.5 | 77% | 0.771 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -44.5 | -176.7 | -58 | -177.9 | 162.7 | 0 | 0 | 112.2 | L96 C100 N101 | L96-E98 PolarHBondContact O-N 2.79Å; E98-C100 PolarHBondContact O-N 2.92Å; E98-C100 VanDerWaalsContact O-N 3.11Å; E98-N101 PolarHBondContact O-N 3.32Å; E98-N101 VanDerWaalsContact O-N 3.12Å; E98-N101 PolarHBondContact O-ND2 3.09Å |
| 99 | V | 89.6 | Confident | 74.8 | Confident | 34 Ų | 34 | 95.1 Ų | 95.1 | 21% | 0.206 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -39.4 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 112 | R122 L123 I126 | V99-R122 HydrophobicContact CG1-CB 4.24Å; V99-R122 HydrophobicContact CG1-CG 4.1Å; V99-R122 WeakPolarHBondContact O-CD 3.41Å; V99-R122 PolarHBondContact O-NE 3.34Å; V99-L123 HydrophobicContact CG1-CD2 4.11Å; V99-L123 HydrophobicContact CG1-CG 4.17Å; V99-L123 HydrophobicContact CG2-CD2 3.71Å; V99-I126 HydrophobicContact CB-CD1 4.43Å; V99-I126 HydrophobicContact CG1-CD1 3.93Å; V99-I126 HydrophobicContact CG2-CD1 4.06Å |
| 100 | C | 87.5 | Confident | 77.1 | Confident | 19 Ų | 19 | 86.1 Ų | 86.1 | 13% | 0.128 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -16.4 | -179.5 | -72.2 | 0 | 0 | 0 | 0 | 114.2 | C97 E98 I102 H113 H119 R122 | C97-C100 PolarHBondContact O-N 3.49Å; E98-C100 PolarHBondContact O-N 2.92Å; E98-C100 VanDerWaalsContact O-N 3.11Å; C100-I102 HydrophobicContact CB-CB 4.38Å; C100-I102 HydrophobicContact CB-CD1 3.94Å; C100-I102 HydrophobicContact CB-CG1 3.95Å; C100-H113 WeakPolarHBondContact CB-NE2 3.34Å; C100-H113 VanDerWaalsContact SG-CE1 3.56Å; C100-H113 PolarHBondContact SG-NE2 2.99Å; C100-H113 VanDerWaalsContact SG-NE2 3.4Å; C100-H119 PolarHBondContact SG-ND1 3.46Å; C100-R122 PolarHBondContact O-NH1 3.11Å |
| 101 | N | 86.1 | Confident | 79.9 | Confident | 122 Ų | 122 | 82.9 Ų | 82.9 | 65% | 0.652 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 51.7 | -164.4 | -75.2 | -98.3 | 0 | 0 | 0 | 112.4 | C97 E98 | C97-N101 WeakPolarHBondContact O-CA 3.4Å; C97-N101 PolarHBondContact O-N 3.09Å; E98-N101 PolarHBondContact O-N 3.32Å; E98-N101 VanDerWaalsContact O-N 3.12Å; E98-N101 PolarHBondContact O-ND2 3.09Å |
| 102 | I | 88.2 | Confident | 82.4 | Confident | 77 Ų | 77 | 81.1 Ų | 81.1 | 40% | 0.395 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125.6 | 179.4 | -64.1 | 178.5 | 0 | 0 | 0 | 110 | C97 C100 L104 | C97-I102 PolarHBondContact N-O 3.39Å; C97-I102 PolarHBondContact O-N 3.42Å; C100-I102 HydrophobicContact CB-CB 4.38Å; C100-I102 HydrophobicContact CB-CD1 3.94Å; C100-I102 HydrophobicContact CB-CG1 3.95Å; I102-L104 HydrophobicContact CG2-CD2 4.15Å; I102-L104 HydrophobicContact CG2-CG 4.41Å |
| 103 | Q | 87.7 | Confident | 84.7 | Confident | 104 Ų | 104 | 73.8 Ų | 73.8 | 49% | 0.486 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 125.2 | 173.1 | -171.4 | 178.8 | 11.9 | 0 | 0 | 110.3 | Y94 L96 | Y94-Q103 HydrophobicContact CD1-CG 4.29Å; Y94-Q103 HydrophobicContact CG-CG 4.43Å; L96-Q103 HydrophobicContact CD2-CB 4.27Å; L96-Q103 HydrophobicContact CG-CB 4.2Å; L96-Q103 HydrophobicContact CG-CG 4.42Å |
| 104 | L | 91.1 | Very high | 86.8 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.7 | -173.1 | -58.3 | 150.5 | 0 | 0 | 0 | 108.5 | Y94 T95 C97 I102 Q109 A110 H113 | Y94-L104 WeakPolarHBondContact CA-O 3.19Å; T95-L104 PolarHBondContact N-O 3.31Å; T95-L104 VanDerWaalsContact N-O 3.11Å; T95-L104 WeakPolarHBondContact O-CA 3.4Å; T95-L104 VanDerWaalsContact O-CB 3.28Å; T95-L104 WeakPolarHBondContact O-CB 3.13Å; T95-L104 PolarHBondContact O-N 3.33Å; C97-L104 HydrophobicContact CB-CD1 3.79Å; I102-L104 HydrophobicContact CG2-CD2 4.15Å; I102-L104 HydrophobicContact CG2-CG 4.41Å; L104-Q109 HydrophobicContact CD2-CG 3.96Å; L104-A110 HydrophobicContact CB-CB 4.23Å; L104-A110 HydrophobicContact CD1-CB 3.94Å; L104-H113 HydrophobicContact CD1-CB 4.23Å; L104-H113 HydrophobicContact CD2-CB 3.64Å |
| 105 | N | 84.1 | Confident | 88.5 | Confident | 87 Ų | 87 | 73.9 Ų | 73.9 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -101.6 | 0.7 | -164 | -57 | -96.8 | 0 | 0 | 0 | 113 | Y94 Q109 | Y94-N105 HydrophobicContact CE1-CB 4.48Å; Y94-N105 WeakPolarHBondContact CE1-OD1 3.26Å; N105-Q109 PolarHBondContact ND2-OE1 3.46Å; N105-Q109 VanDerWaalsContact ND2-OE1 3.08Å |
| 106 | S | 87.5 | Confident | 89.3 | Confident | 62 Ų | 62 | 72 Ų | 72 | 43% | 0.434 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -162 | 146.9 | -177.6 | 171.2 | 0 | 0 | 0 | 0 | 109.3 | A108 Q109 A110 | S106-A108 VanDerWaalsContact C-N 3.26Å; S106-A108 PolarHBondContact O-N 3.2Å; S106-A108 PolarHBondContact OG-N 3.12Å; S106-Q109 WeakPolarHBondContact O-CA 3.31Å; S106-Q109 WeakPolarHBondContact O-CB 3.34Å; S106-Q109 PolarHBondContact O-N 2.82Å; S106-A110 PolarHBondContact O-N 3.36Å |
| 107 | A | 86.1 | Confident | 89.4 | Confident | 70 Ų | 70 | 75.7 Ų | 75.7 | 58% | 0.579 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -56.5 | -39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q109 A110 Q111 | A107-Q109 VanDerWaalsContact C-N 3.34Å; A107-Q109 PolarHBondContact O-N 3.14Å; A107-A110 WeakPolarHBondContact O-CB 3.43Å; A107-A110 PolarHBondContact O-N 3.28Å; A107-A110 VanDerWaalsContact O-N 3.12Å; A107-Q111 WeakPolarHBondContact O-CG 3.45Å; A107-Q111 PolarHBondContact O-N 3.16Å |
| 108 | A | 87.6 | Confident | 89.4 | Confident | 49 Ų | 49 | 80 Ų | 80 | 41% | 0.405 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S106 A110 Q111 I112 | S106-A108 VanDerWaalsContact C-N 3.26Å; S106-A108 PolarHBondContact O-N 3.2Å; S106-A108 PolarHBondContact OG-N 3.12Å; A108-A110 VanDerWaalsContact C-N 3.29Å; A108-A110 PolarHBondContact O-N 3.38Å; A108-Q111 PolarHBondContact O-N 3.26Å; A108-I112 WeakPolarHBondContact O-CB 3.46Å; A108-I112 WeakPolarHBondContact O-CD1 3.49Å; A108-I112 VanDerWaalsContact O-CG1 3.23Å; A108-I112 WeakPolarHBondContact O-CG1 3.41Å; A108-I112 PolarHBondContact O-N 2.98Å |
| 109 | Q | 89.1 | Confident | 89.7 | Confident | 89 Ų | 89 | 72.4 Ų | 72.4 | 42% | 0.416 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 173.5 | -165.5 | -176.6 | 19.4 | 0 | 0 | 110.9 | L104 N105 S106 A107 H113 | L104-Q109 HydrophobicContact CD2-CG 3.96Å; N105-Q109 PolarHBondContact ND2-OE1 3.46Å; N105-Q109 VanDerWaalsContact ND2-OE1 3.08Å; S106-Q109 WeakPolarHBondContact O-CA 3.31Å; S106-Q109 WeakPolarHBondContact O-CB 3.34Å; S106-Q109 PolarHBondContact O-N 2.82Å; A107-Q109 VanDerWaalsContact C-N 3.34Å; A107-Q109 PolarHBondContact O-N 3.14Å; Q109-H113 WeakPolarHBondContact O-CB 3.2Å; Q109-H113 PolarHBondContact O-N 3.39Å |
| 110 | A | 90 | Very high | 89.8 | Confident | 8 Ų | 8 | 75 Ų | 75 | 7% | 0.066 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.9 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L104 S106 A107 A108 I112 H113 Y114 | L104-A110 HydrophobicContact CB-CB 4.23Å; L104-A110 HydrophobicContact CD1-CB 3.94Å; S106-A110 PolarHBondContact O-N 3.36Å; A107-A110 WeakPolarHBondContact O-CB 3.43Å; A107-A110 PolarHBondContact O-N 3.28Å; A107-A110 VanDerWaalsContact O-N 3.12Å; A108-A110 VanDerWaalsContact C-N 3.29Å; A108-A110 PolarHBondContact O-N 3.38Å; A110-I112 PolarHBondContact O-N 3.38Å; A110-H113 WeakPolarHBondContact O-CA 3.48Å; A110-H113 WeakPolarHBondContact O-CB 3.38Å; A110-H113 PolarHBondContact O-N 3.47Å; A110-Y114 HydrophobicContact CB-CD2 4.27Å; A110-Y114 HydrophobicContact CB-CE2 4.02Å; A110-Y114 WeakPolarHBondContact O-CD2 3.49Å; A110-Y114 PolarHBondContact O-N 3.45Å |
| 111 | Q | 88.4 | Confident | 90 | Very high | 126 Ų | 126 | 80.8 Ų | 80.8 | 59% | 0.589 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -58.1 | -46.5 | 174.4 | -71.9 | 169.2 | -39.9 | 0 | 0 | 111.8 | A107 A108 H113 Y114 N115 | A107-Q111 WeakPolarHBondContact O-CG 3.45Å; A107-Q111 PolarHBondContact O-N 3.16Å; A108-Q111 PolarHBondContact O-N 3.26Å; Q111-H113 PolarHBondContact O-N 3.17Å; Q111-Y114 PolarHBondContact O-N 3.01Å; Q111-N115 VanDerWaalsContact O-CB 3.3Å; Q111-N115 WeakPolarHBondContact O-CB 3.3Å; Q111-N115 PolarHBondContact O-N 2.94Å |
| 112 | I | 92.9 | Very high | 90 | Very high | 132 Ų | 132 | 79 Ų | 79 | 68% | 0.677 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.7 | -32.2 | 175.2 | -66.7 | 165.4 | 0 | 0 | 0 | 111.5 | A108 A110 G116 | A108-I112 WeakPolarHBondContact O-CB 3.46Å; A108-I112 WeakPolarHBondContact O-CD1 3.49Å; A108-I112 VanDerWaalsContact O-CG1 3.23Å; A108-I112 WeakPolarHBondContact O-CG1 3.41Å; A108-I112 PolarHBondContact O-N 2.98Å; A110-I112 PolarHBondContact O-N 3.38Å; I112-G116 PolarHBondContact O-N 2.94Å |
| 113 | H | 94.3 | Very high | 90.2 | Very high | 26 Ų | 26 | 78.7 Ų | 78.7 | 12% | 0.12 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -72.5 | -51.9 | 176.2 | -177.2 | 72.3 | 0 | 0 | 0 | 112.6 | C97 C100 L104 Q109 A110 Q111 N115 G116 H119 | C97-H113 VanDerWaalsContact SG-CD2 3.56Å; C97-H113 PolarHBondContact SG-NE2 3.41Å; C100-H113 WeakPolarHBondContact CB-NE2 3.34Å; C100-H113 VanDerWaalsContact SG-CE1 3.56Å; C100-H113 PolarHBondContact SG-NE2 2.99Å; C100-H113 VanDerWaalsContact SG-NE2 3.4Å; L104-H113 HydrophobicContact CD1-CB 4.23Å; L104-H113 HydrophobicContact CD2-CB 3.64Å; Q109-H113 WeakPolarHBondContact O-CB 3.2Å; Q109-H113 PolarHBondContact O-N 3.39Å; A110-H113 WeakPolarHBondContact O-CA 3.48Å; A110-H113 WeakPolarHBondContact O-CB 3.38Å; A110-H113 PolarHBondContact O-N 3.47Å; Q111-H113 PolarHBondContact O-N 3.17Å; H113-N115 VanDerWaalsContact C-N 3.34Å; H113-N115 PolarHBondContact O-N 2.83Å; H113-G116 WeakPolarHBondContact O-CA 3.45Å; H113-G116 PolarHBondContact O-N 3Å; H113-H119 AromaticContact CD2-ND1 3.61Å; H113-H119 AromaticContact NE2-CG 3.82Å; H113-H119 AromaticContact NE2-ND1 3.15Å; H113-H119 PolarHBondContact NE2-ND1 3.39Å; H113-H119 VanDerWaalsContact NE2-ND1 3.15Å; H113-H119 WeakPolarHBondContact O-CB 3.11Å |
| 114 | Y | 93.9 | Very high | 90.2 | Very high | 93 Ų | 93 | 81.2 Ų | 81.2 | 37% | 0.365 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | -179.2 | -69.2 | -56.7 | 0 | 0 | 0 | 112.1 | C97 A110 Q111 G116 H119 | C97-Y114 HydrophobicContact CB-CE1 4.09Å; A110-Y114 HydrophobicContact CB-CD2 4.27Å; A110-Y114 HydrophobicContact CB-CE2 4.02Å; A110-Y114 WeakPolarHBondContact O-CD2 3.49Å; A110-Y114 PolarHBondContact O-N 3.45Å; Q111-Y114 PolarHBondContact O-N 3.01Å; Y114-G116 PolarHBondContact O-N 2.99Å; Y114-H119 AromaticContact CD1-CE1 3.6Å; Y114-H119 AromaticContact CD1-NE2 3.5Å; Y114-H119 WeakPolarHBondContact CD1-NE2 3.47Å; Y114-H119 AromaticContact CE1-CE1 3.85Å; Y114-H119 PolarHBondContact O-CD2 3.12Å |
| 115 | N | 91.5 | Very high | 89.7 | Confident | 122 Ų | 122 | 85.7 Ų | 85.7 | 65% | 0.652 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.7 | 174.5 | -62.5 | -9.8 | 0 | 0 | 0 | 113 | Q111 H113 | Q111-N115 VanDerWaalsContact O-CB 3.3Å; Q111-N115 WeakPolarHBondContact O-CB 3.3Å; Q111-N115 PolarHBondContact O-N 2.94Å; H113-N115 VanDerWaalsContact C-N 3.34Å; H113-N115 PolarHBondContact O-N 2.83Å |
| 116 | G | 94.4 | Very high | 89.6 | Confident | 16 Ų | 16 | 85 Ų | 85 | 17% | 0.165 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -75.3 | 130.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | I112 H113 Y114 S118 H119 Q120 | I112-G116 PolarHBondContact O-N 2.94Å; H113-G116 WeakPolarHBondContact O-CA 3.45Å; H113-G116 PolarHBondContact O-N 3Å; Y114-G116 PolarHBondContact O-N 2.99Å; G116-S118 PolarHBondContact O-N 3.29Å; G116-H119 WeakPolarHBondContact O-CB 3.5Å; G116-H119 PolarHBondContact O-N 3.28Å; G116-Q120 PolarHBondContact O-N 3.48Å |
| 117 | K | 89.3 | Confident | 89.3 | Confident | 184 Ų | 184 | 86.7 Ų | 86.7 | 80% | 0.8 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -54.4 | -26 | 179 | -61.8 | -175.3 | -179.8 | -176.6 | 0 | 113.9 | K121 | K117-K121 VanDerWaalsContact O-CB 3.31Å; K117-K121 WeakPolarHBondContact O-CB 3.09Å; K117-K121 PolarHBondContact O-N 3.37Å; K117-K121 VanDerWaalsContact O-N 3.16Å |
| 118 | S | 91.1 | Very high | 88.7 | Confident | 93 Ų | 93 | 87.2 Ų | 87.2 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -73.7 | -43.7 | 173.9 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | G116 R122 | G116-S118 PolarHBondContact O-N 3.29Å; S118-R122 PolarHBondContact O-N 3.46Å |
| 119 | H | 93.4 | Very high | 87.3 | Confident | 4 Ų | 4 | 88 Ų | 88 | 2% | 0.019 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -66 | -50.3 | 175 | 177.4 | 87.1 | 0 | 0 | 0 | 110.5 | C97 C100 H113 Y114 G116 K121 R122 L123 | C97-H119 PolarHBondContact SG-CE1 3.15Å; C97-H119 PolarHBondContact SG-ND1 2.99Å; C97-H119 VanDerWaalsContact SG-ND1 3.37Å; C100-H119 PolarHBondContact SG-ND1 3.46Å; H113-H119 AromaticContact CD2-ND1 3.61Å; H113-H119 AromaticContact NE2-CG 3.82Å; H113-H119 AromaticContact NE2-ND1 3.15Å; H113-H119 PolarHBondContact NE2-ND1 3.39Å; H113-H119 VanDerWaalsContact NE2-ND1 3.15Å; H113-H119 WeakPolarHBondContact O-CB 3.11Å; Y114-H119 AromaticContact CD1-CE1 3.6Å; Y114-H119 AromaticContact CD1-NE2 3.5Å; Y114-H119 WeakPolarHBondContact CD1-NE2 3.47Å; Y114-H119 AromaticContact CE1-CE1 3.85Å; Y114-H119 PolarHBondContact O-CD2 3.12Å; G116-H119 WeakPolarHBondContact O-CB 3.5Å; G116-H119 PolarHBondContact O-N 3.28Å; H119-K121 VanDerWaalsContact C-N 3.28Å; H119-K121 PolarHBondContact O-N 2.84Å; H119-R122 WeakPolarHBondContact O-CA 3.46Å; H119-R122 PolarHBondContact O-N 3.3Å; H119-L123 VanDerWaalsContact NE2-CD1 3.26Å; H119-L123 WeakPolarHBondContact NE2-CD1 3.28Å; H119-L123 WeakPolarHBondContact NE2-CG 3.42Å; H119-L123 PolarHBondContact O-N 2.98Å |
| 120 | Q | 91.6 | Very high | 85.5 | Confident | 88 Ų | 88 | 91.8 Ų | 91.8 | 41% | 0.411 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.1 | -37.6 | 177.1 | -68.3 | 179.2 | -13.5 | 0 | 0 | 113 | G116 K124 | G116-Q120 PolarHBondContact O-N 3.48Å; Q120-K124 WeakPolarHBondContact O-CG 3.49Å; Q120-K124 PolarHBondContact O-N 2.82Å; Q120-K124 VanDerWaalsContact O-N 3.12Å |
| 121 | K | 91.5 | Very high | 83.1 | Confident | 141 Ų | 141 | 99.1 Ų | 99.1 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.3 | -37.2 | 174.4 | -174.7 | 165.7 | -176.2 | 167.3 | 0 | 112.4 | K117 H119 Q125 | K117-K121 VanDerWaalsContact O-CB 3.31Å; K117-K121 WeakPolarHBondContact O-CB 3.09Å; K117-K121 PolarHBondContact O-N 3.37Å; K117-K121 VanDerWaalsContact O-N 3.16Å; H119-K121 VanDerWaalsContact C-N 3.28Å; H119-K121 PolarHBondContact O-N 2.84Å; K121-Q125 WeakPolarHBondContact O-CG 3.41Å; K121-Q125 PolarHBondContact O-N 3.12Å |
| 122 | R | 87 | Confident | 81 | Confident | 86 Ų | 86 | 96.9 Ų | 96.9 | 33% | 0.325 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.6 | -41.1 | 176.9 | -166.2 | 170.7 | -175.6 | 178.3 | -2.1 | 111.8 | V99 C100 S118 H119 Q125 I126 N134 | V99-R122 HydrophobicContact CG1-CB 4.24Å; V99-R122 HydrophobicContact CG1-CG 4.1Å; V99-R122 WeakPolarHBondContact O-CD 3.41Å; V99-R122 PolarHBondContact O-NE 3.34Å; C100-R122 PolarHBondContact O-NH1 3.11Å; S118-R122 PolarHBondContact O-N 3.46Å; H119-R122 WeakPolarHBondContact O-CA 3.46Å; H119-R122 PolarHBondContact O-N 3.3Å; R122-Q125 PolarHBondContact O-N 3.34Å; R122-I126 PolarHBondContact O-N 2.88Å; R122-I126 VanDerWaalsContact O-N 3.09Å; R122-N134 PolarHBondContact NH2-OD1 3.2Å |
| 123 | L | 91.3 | Very high | 78.6 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 36% | 0.361 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -49.8 | -57.5 | 169.4 | -87.6 | 177.5 | 0 | 0 | 0 | 111.1 | V99 H119 Q125 I126 S127 | V99-L123 HydrophobicContact CG1-CD2 4.11Å; V99-L123 HydrophobicContact CG1-CG 4.17Å; V99-L123 HydrophobicContact CG2-CD2 3.71Å; H119-L123 VanDerWaalsContact NE2-CD1 3.26Å; H119-L123 WeakPolarHBondContact NE2-CD1 3.28Å; H119-L123 WeakPolarHBondContact NE2-CG 3.42Å; H119-L123 PolarHBondContact O-N 2.98Å; L123-Q125 PolarHBondContact O-N 3.49Å; L123-Q125 VanDerWaalsContact O-N 3.14Å; L123-I126 WeakPolarHBondContact O-CG1 3.24Å; L123-I126 PolarHBondContact O-N 3.05Å; L123-I126 VanDerWaalsContact O-N 3.09Å; L123-S127 PolarHBondContact O-N 3.45Å; L123-S127 PolarHBondContact O-OG 3.43Å |
| 124 | K | 89.3 | Confident | 75.9 | Confident | 157 Ų | 157 | 97.2 Ų | 97.2 | 68% | 0.683 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -22.5 | -177.3 | -70.3 | -176.8 | 178.3 | -168.2 | 0 | 113.9 | Q120 S127 S128 | Q120-K124 WeakPolarHBondContact O-CG 3.49Å; Q120-K124 PolarHBondContact O-N 2.82Å; Q120-K124 VanDerWaalsContact O-N 3.12Å; K124-S127 WeakPolarHBondContact CA-OG 3.32Å; K124-S127 PolarHBondContact O-OG 3.21Å; K124-S128 WeakPolarHBondContact O-CB 3.38Å; K124-S128 PolarHBondContact O-N 2.93Å; K124-S128 PolarHBondContact O-OG 3.29Å |
| 125 | Q | 80.5 | Confident | 73 | Confident | 97 Ų | 97 | 98.2 Ų | 98.2 | 45% | 0.453 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -82.8 | -32.1 | 175 | -74.3 | 179.6 | -41.2 | 0 | 0 | 113.5 | K121 R122 L123 S128 | K121-Q125 WeakPolarHBondContact O-CG 3.41Å; K121-Q125 PolarHBondContact O-N 3.12Å; R122-Q125 PolarHBondContact O-N 3.34Å; L123-Q125 PolarHBondContact O-N 3.49Å; L123-Q125 VanDerWaalsContact O-N 3.14Å; Q125-S128 PolarHBondContact O-OG 2.87Å |
| 126 | I | 81.3 | Confident | 70.2 | Confident | 73 Ų | 73 | 98.4 Ų | 98.4 | 37% | 0.374 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -80.9 | -33.4 | 174.3 | 63.2 | 167.2 | 0 | 0 | 0 | 111.9 | V99 R122 L123 S128 | V99-I126 HydrophobicContact CB-CD1 4.43Å; V99-I126 HydrophobicContact CG1-CD1 3.93Å; V99-I126 HydrophobicContact CG2-CD1 4.06Å; R122-I126 PolarHBondContact O-N 2.88Å; R122-I126 VanDerWaalsContact O-N 3.09Å; L123-I126 WeakPolarHBondContact O-CG1 3.24Å; L123-I126 PolarHBondContact O-N 3.05Å; L123-I126 VanDerWaalsContact O-N 3.09Å; I126-S128 VanDerWaalsContact C-N 3.31Å; I126-S128 PolarHBondContact O-N 2.83Å |
| 127 | S | 81.9 | Confident | 67.2 | Low | 97 Ų | 97 | 102.1 Ų | 102.1 | 68% | 0.678 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.3 | -22.1 | 177.6 | 69.7 | 0 | 0 | 0 | 0 | 113.3 | L123 K124 G129 | L123-S127 PolarHBondContact O-N 3.45Å; L123-S127 PolarHBondContact O-OG 3.43Å; K124-S127 WeakPolarHBondContact CA-OG 3.32Å; K124-S127 PolarHBondContact O-OG 3.21Å; S127-G129 VanDerWaalsContact C-N 3.25Å; S127-G129 PolarHBondContact O-N 2.94Å |
| 128 | S | 72.4 | Confident | 64.3 | Low | 81 Ų | 81 | 100.5 Ų | 100.5 | 57% | 0.566 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 27.2 | 178.3 | 78.4 | 0 | 0 | 0 | 0 | 113.6 | K124 Q125 I126 K130 | K124-S128 WeakPolarHBondContact O-CB 3.38Å; K124-S128 PolarHBondContact O-N 2.93Å; K124-S128 PolarHBondContact O-OG 3.29Å; Q125-S128 PolarHBondContact O-OG 2.87Å; I126-S128 VanDerWaalsContact C-N 3.31Å; I126-S128 PolarHBondContact O-N 2.83Å; S128-K130 PolarHBondContact O-N 3.38Å |
| 129 | G | 59.3 | Low | 61.7 | Low | 65 Ų | 65 | 107.5 Ų | 107.5 | 67% | 0.67 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.1 | -1.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | S127 M131 | S127-G129 VanDerWaalsContact C-N 3.25Å; S127-G129 PolarHBondContact O-N 2.94Å; G129-M131 PolarHBondContact O-N 3.45Å |
| 130 | K | 50.7 | Low | 58.7 | Low | 169 Ų | 169 | 115.5 Ų | 115.5 | 74% | 0.735 | 62% | 0.616 | S | S | * | * | trans | -97.6 | 66.7 | -169.1 | -153.7 | 72.1 | 170.4 | -175.3 | 0 | 111.7 | S128 P132 | S128-K130 PolarHBondContact O-N 3.38Å; K130-P132 WeakPolarHBondContact O-CD 3.47Å; K130-P132 VanDerWaalsContact O-N 3.08Å | ||
| 131 | M | 38.5 | Very low | 55.9 | Low | 163 Ų | 163 | 115.5 Ų | 115.5 | 80% | 0.803 | 62% | 0.622 | S | S | * | * | trans | -45.5 | 108.5 | -177 | -76.2 | -66.8 | -79.5 | 0 | 0 | 113.4 | G129 | G129-M131 PolarHBondContact O-N 3.45Š| ||
| 132 | P | 45.4 | Very low | 53 | Low | 78 Ų | 78 | 118.4 Ų | 118.4 | 51% | 0.506 | 64% | 0.638 | S | S | . | * | trans | -82.8 | 119.6 | 174 | -3.4 | 22.2 | 0 | 0 | 0 | 109.1 | K130 N134 | K130-P132 WeakPolarHBondContact O-CD 3.47Å; K130-P132 VanDerWaalsContact O-N 3.08Å; P132-N134 PolarHBondContact O-N 3.12Å | ||
| 133 | G | 42 | Very low | 50.6 | Low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 67% | 0.666 | S | S | * | * | trans | -51.4 | 135.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | T135 | G133-T135 PolarHBondContact O-N 3.11Š| ||
| 134 | N | 37.4 | Very low | 47.7 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 56% | 0.561 | 69% | 0.693 | S | S | * | * | trans | -76 | 62.5 | -157.5 | -162.6 | 12.3 | 0 | 0 | 0 | 114.4 | R122 P132 V136 | R122-N134 PolarHBondContact NH2-OD1 3.2Å; P132-N134 PolarHBondContact O-N 3.12Å; N134-V136 PolarHBondContact O-N 2.8Å | ||
| 135 | T | 33.1 | Very low | 44.9 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | trans | -78.9 | 101.9 | 174.1 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | G133 S137 | G133-T135 PolarHBondContact O-N 3.11Å; T135-S137 VanDerWaalsContact C-N 3.29Å; T135-S137 PolarHBondContact O-N 3.27Å | ||
| 136 | V | 33.3 | Very low | 42.5 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | trans | -69.2 | 87.1 | 173.6 | -179 | 0 | 0 | 0 | 0 | 109.5 | N134 N138 | N134-V136 PolarHBondContact O-N 2.8Å; V136-N138 VanDerWaalsContact C-N 3.31Å; V136-N138 PolarHBondContact O-N 3.32Å | ||
| 137 | S | 30.9 | Very low | 40 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | trans | -71.1 | 79.4 | 179.5 | -73.3 | 0 | 0 | 0 | 0 | 111.9 | T135 R139 | T135-S137 VanDerWaalsContact C-N 3.29Å; T135-S137 PolarHBondContact O-N 3.27Å; S137-R139 VanDerWaalsContact C-N 3.32Å; S137-R139 PolarHBondContact O-N 3.01Å | ||
| 138 | N | 29.3 | Very low | 37.3 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | trans | -69.5 | 84.2 | 173.4 | -174.7 | 7.8 | 0 | 0 | 0 | 111.2 | V136 K140 | V136-N138 VanDerWaalsContact C-N 3.31Å; V136-N138 PolarHBondContact O-N 3.32Å; N138-K140 PolarHBondContact O-N 2.72Å | ||
| 139 | R | 35.9 | Very low | 35.2 | Very low | 239 Ų | 239 | 145.6 Ų | 145.6 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | -81.9 | 89.3 | 178.6 | -77.3 | -168.6 | 174.3 | -166.6 | -0.2 | 112.4 | S137 | S137-R139 VanDerWaalsContact C-N 3.32Å; S137-R139 PolarHBondContact O-N 3.01Å | ||
| 140 | K | 29.2 | Very low | 33.7 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -138.7 | 99.7 | 145.6 | -157.3 | 169.6 | -175.5 | 178.4 | 0 | 112.5 | N138 | N138-K140 PolarHBondContact O-N 2.72Š|
| 141 | T | 34.1 | Very low | 32.6 | Very low | 88 Ų | 88 | 151.1 Ų | 151.1 | 54% | 0.54 | 77% | 0.766 | S | S | . | * | trans | 55.5 | 97.4 | 157.6 | 54.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 142 | E | 30.7 | Very low | 32 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 94% | 0.944 | 76% | 0.756 | S | S | * | * | trans | -159.9 | 126 | 140.4 | -116.8 | 156.5 | -146.9 | 0 | 0 | 109.8 | ||||
| 143 | K | 35.8 | Very low | 31.2 | Very low | 211 Ų | 211 | 151.6 Ų | 151.6 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -170.9 | 81.8 | 166.7 | -158.7 | -178.5 | -171.9 | -171 | 0 | 112.5 | ||||
| 144 | K | 31.2 | Very low | 30.7 | Very low | 214 Ų | 214 | 157 Ų | 157 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -161.6 | 76.7 | 154.1 | -157.7 | 179.4 | -177 | -176 | 0 | 113.6 | ||||
| 145 | S | 30.6 | Very low | 30.1 | Very low | 107 Ų | 107 | 157.4 Ų | 157.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -156.8 | 170.5 | 158.3 | 55.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 146 | E | 29.6 | Very low | 29.9 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 62.5 | 72 | 175.5 | -54 | -62.1 | 83 | 0 | 0 | 116.1 | ||||
| 147 | L | 28 | Very low | 29.6 | Very low | 165 Ų | 165 | 156.4 Ų | 156.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -138.8 | 88.4 | 136.8 | -179 | 86.8 | 0 | 0 | 0 | 108 | ||||
| 148 | Y | 26.7 | Very low | 29.5 | Very low | 209 Ų | 209 | 158.1 Ų | 158.1 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | trans | -163.7 | 134.5 | 158.8 | -122.3 | -79.6 | 0 | 0 | 0 | 109.6 | ||||
| 149 | L | 27.5 | Very low | 29.5 | Very low | 148 Ų | 148 | 159.2 Ų | 159.2 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | 59.9 | 147.2 | -176.7 | -92.2 | 63.4 | 0 | 0 | 0 | 115.5 | ||||
| 150 | L | 28.5 | Very low | 29.3 | Very low | 146 Ų | 146 | 159.1 Ų | 159.1 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | cis | -141.7 | 153.6 | -17.5 | -145.9 | 162.6 | 0 | 0 | 0 | 107.1 | ||||
| 151 | K | 27.1 | Very low | 29.3 | Very low | 204 Ų | 204 | 153.8 Ų | 153.8 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -132.3 | 115.2 | -173.9 | -178.2 | -175 | 179.3 | -172.1 | 0 | 109.8 | ||||
| 152 | S | 26.3 | Very low | 29.1 | Very low | 84 Ų | 84 | 154 Ų | 154 | 59% | 0.587 | 81% | 0.809 | S | S | * | * | trans | -150.3 | 123.4 | 176.9 | 48.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 153 | E | 27.8 | Very low | 29.2 | Very low | 167 Ų | 167 | 153 Ų | 153 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | 70.2 | 139.8 | 148.7 | -64.1 | 163.3 | 143.5 | 0 | 0 | 119 | ||||
| 154 | Q | 31.2 | Very low | 29.1 | Very low | 173 Ų | 173 | 151.1 Ų | 151.1 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | cis | -146.5 | 170.4 | -10.1 | -139.7 | 165.9 | 20.5 | 0 | 0 | 111.5 | ||||
| 155 | S | 26.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -87.4 | 158.3 | -177.7 | 45.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 156 | G | 27.1 | Very low | 29 | Very low | 70 Ų | 70 | 146.3 Ų | 146.3 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -153.1 | 136.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 157 | D | 28.1 | Very low | 29 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -85.5 | 151.4 | -159.3 | -58.9 | -91.6 | 0 | 0 | 0 | 115.8 | ||||
| 158 | S | 29.4 | Very low | 29 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -167.5 | 136.8 | 133.3 | -85 | 0 | 0 | 0 | 0 | 112 | ||||
| 159 | E | 28.8 | Very low | 29.1 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -97 | 142.5 | 179.6 | -48.6 | 166.3 | 95.7 | 0 | 0 | 112.5 | ||||
| 160 | R | 31.6 | Very low | 29.5 | Very low | 236 Ų | 236 | 139 Ų | 139 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -166.1 | 160.1 | 130.3 | -150.2 | 132.5 | -72.6 | -128.7 | -1.1 | 111.9 | ||||
| 161 | G | 29.4 | Very low | 29.4 | Very low | 61 Ų | 61 | 136.1 Ų | 136.1 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | trans | -62.4 | 166.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 162 | A | 30.2 | Very low | 29.9 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | 55.8 | 128.4 | 60.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 163 | Q | 32.9 | Very low | 31 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | cis | -115.1 | 164 | 24.9 | -62.4 | 111 | 18.4 | 0 | 0 | 113.1 | ||||
| 164 | H | 32.3 | Very low | 31.2 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 79% | 0.787 | 81% | 0.808 | S | S | * | * | cis | 80.1 | 116.2 | 41.8 | -102.5 | -123.4 | 0 | 0 | 0 | 116 | ||||
| 165 | T | 30.7 | Very low | 31.2 | Very low | 145 Ų | 145 | 134 Ų | 134 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | 61.8 | 155.6 | 169.6 | 59.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 166 | G | 28.9 | Very low | 31.4 | Very low | 76 Ų | 76 | 133.3 Ų | 133.3 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | cis | -165.3 | 174.4 | 0.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 167 | T | 30.4 | Very low | 31.7 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | -82.2 | 149.1 | -172.8 | 48 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 168 | S | 27.5 | Very low | 31.9 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | 156.9 | 167.9 | 115.5 | -160.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 169 | A | 28.9 | Very low | 32.8 | Very low | 84 Ų | 84 | 135.1 Ų | 135.1 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | trans | 55.7 | 120 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 170 | Q | 35.1 | Very low | 33.1 | Very low | 203 Ų | 203 | 133 Ų | 133 | 95% | 0.949 | 81% | 0.809 | S | S | * | * | 69.5 | 120.6 | 60.9 | -69.8 | -162.2 | -4.2 | 0 | 0 | 115.1 | |||||
| 171 | G | 27.7 | Very low | 33.8 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | 152.6 | 90.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 172 | N | 37.4 | Very low | 33.8 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -112.8 | 143 | 160.6 | -134 | 13.8 | 0 | 0 | 0 | 105.5 | ||||
| 173 | P | 49.5 | Very low | 34 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | -153.4 | 163 | 88.3 | 39.6 | -21.4 | 0 | 0 | 0 | 117.7 | |||||
| 174 | L | 32.4 | Very low | 34.4 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | 6.9 | 133.4 | 143 | -50.2 | 171.3 | 0 | 0 | 0 | 119.5 | ||||
| 175 | L | 30.7 | Very low | 34.2 | Very low | 170 Ų | 170 | 131.4 Ų | 131.4 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | 177.7 | 174.9 | 98.4 | -95.8 | 179.1 | 0 | 0 | 0 | 113.8 | |||||
| 176 | A | 30.7 | Very low | 34.6 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 77.6 | 123.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 177 | S | 33.4 | Very low | 35.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -124 | 172.1 | 163.4 | -59.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 178 | L | 32.3 | Very low | 35.6 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | trans | 121.9 | 149.7 | 160.9 | -63.8 | 180 | 0 | 0 | 0 | 116 | ||||
| 179 | P | 47.1 | Very low | 35.9 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | trans | -144.1 | -163.3 | -134.6 | 40 | -17.1 | 0 | 0 | 0 | 117.6 | ||||
| 180 | V | 37 | Very low | 36.2 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 78.4 | 156.6 | 161.8 | 173.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 181 | P | 45.6 | Very low | 36.7 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -125.8 | 177.9 | -3 | 24.1 | -0.2 | 0 | 0 | 0 | 117.3 | ||||
| 182 | G | 29.6 | Very low | 37.5 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 155.7 | 136.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 183 | R | 33.6 | Very low | 38 | Very low | 243 Ų | 243 | 137.4 Ų | 137.4 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | -128.5 | 169.7 | -179.6 | -105.1 | -172.9 | -178.4 | -162.9 | 2.8 | 110.4 | ||||
| 184 | P | 41 | Very low | 37.4 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | cis | -150.4 | 168 | 36.5 | 41.7 | -19.7 | 0 | 0 | 0 | 121.5 | ||||
| 185 | L | 30 | Very low | 37.9 | Very low | 152 Ų | 152 | 140 Ų | 140 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | 57.7 | 107.3 | 143.8 | -67.3 | 165.9 | 0 | 0 | 0 | 125.2 | ||||
| 186 | Q | 38.3 | Very low | 38.3 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | 41.5 | 160.8 | 110.8 | -74 | -76.2 | -88.3 | 0 | 0 | 123.3 | Q188 | Q186-Q188 VanDerWaalsContact OE1-CB 3.27Š| |||
| 187 | P | 43.1 | Very low | 38.3 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | cis | -111.3 | 154.7 | 10.2 | 41 | -31 | 0 | 0 | 0 | 114.7 | ||||
| 188 | Q | 37.2 | Very low | 38.5 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | 63.5 | 104.5 | 64 | -101.7 | -66.2 | 2.2 | 0 | 0 | 116.1 | Q186 | Q186-Q188 VanDerWaalsContact OE1-CB 3.27Š| |||
| 189 | L | 34.4 | Very low | 38.9 | Very low | 176 Ų | 176 | 147 Ų | 147 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -145 | 146.7 | 131.5 | -103.2 | -178.5 | 0 | 0 | 0 | 109.9 | ||||
| 190 | D | 35.2 | Very low | 38.3 | Very low | 80 Ų | 80 | 148.3 Ų | 148.3 | 43% | 0.428 | 77% | 0.77 | S | S | . | * | trans | -90.3 | 142.4 | -177.1 | 170.1 | 40.9 | 0 | 0 | 0 | 111.9 | K192 | D190-K192 VanDerWaalsContact OD1-CD 3.25Å; D190-K192 WeakPolarHBondContact OD1-CD 3.31Å; D190-K192 WeakPolarHBondContact OD1-CE 3.45Å; D190-K192 IonicContact OD1-NZ 3.76Å; D190-K192 VanDerWaalsContact OD2-CE 3.24Å; D190-K192 WeakPolarHBondContact OD2-CE 3.47Å; D190-K192 IonicContact OD2-NZ 3.08Å; D190-K192 PolarHBondContact OD2-NZ 2.86Å | ||
| 191 | L | 43.8 | Very low | 38.6 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -156.9 | 108.9 | 149.7 | -138.5 | 73.5 | 0 | 0 | 0 | 110.9 | ||||
| 192 | K | 44.6 | Very low | 38.3 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | trans | -78.3 | 160.1 | 178 | -57.7 | 107.6 | 176.8 | 172.8 | 0 | 112.4 | D190 | D190-K192 VanDerWaalsContact OD1-CD 3.25Å; D190-K192 WeakPolarHBondContact OD1-CD 3.31Å; D190-K192 WeakPolarHBondContact OD1-CE 3.45Å; D190-K192 IonicContact OD1-NZ 3.76Å; D190-K192 VanDerWaalsContact OD2-CE 3.24Å; D190-K192 WeakPolarHBondContact OD2-CE 3.47Å; D190-K192 IonicContact OD2-NZ 3.08Å; D190-K192 PolarHBondContact OD2-NZ 2.86Å | ||
| 193 | H | 48.9 | Very low | 39.1 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | 59.3 | 76.6 | 162.2 | -53.5 | -65.4 | 0 | 0 | 0 | 117.8 | ||||
| 194 | L | 37.6 | Very low | 39.9 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | trans | -108.7 | 122.2 | 141.6 | -72.1 | 176 | 0 | 0 | 0 | 109.2 | ||||
| 195 | L | 41.2 | Very low | 40.4 | Very low | 147 Ų | 147 | 136 Ų | 136 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | -68.5 | 149.2 | -176 | -72.3 | 163.2 | 0 | 0 | 0 | 111.2 | F197 | L195-F197 PolarHBondContact O-N 3.01Š| ||
| 196 | P | 39.7 | Very low | 41.4 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | trans | -59.9 | 109.3 | 164.7 | -19 | 31.4 | 0 | 0 | 0 | 109.1 | R198 | P196-R198 PolarHBondContact O-N 2.81Š| ||
| 197 | F | 30.6 | Very low | 42.4 | Very low | 189 Ų | 189 | 133.1 Ų | 133.1 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | trans | -55.7 | 108.9 | 178.5 | -83.1 | -83.7 | 0 | 0 | 0 | 109.8 | L195 L199 | L195-F197 PolarHBondContact O-N 3.01Å; F197-L199 VanDerWaalsContact C-N 3.31Å; F197-L199 PolarHBondContact O-N 2.87Å | ||
| 198 | R | 37.5 | Very low | 42.6 | Very low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | trans | -71.3 | 91 | 175.2 | -71.6 | -71.9 | 177.6 | 169.7 | -2.3 | 108.3 | P196 N200 | P196-R198 PolarHBondContact O-N 2.81Å; R198-N200 PolarHBondContact O-N 3.04Å | ||
| 199 | L | 41.5 | Very low | 43.5 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 91% | 0.906 | 71% | 0.713 | S | S | * | * | trans | -65.3 | 61.3 | 163.5 | -84 | 162.7 | 0 | 0 | 0 | 110.6 | F197 | F197-L199 VanDerWaalsContact C-N 3.31Å; F197-L199 PolarHBondContact O-N 2.87Å | ||
| 200 | N | 34.9 | Very low | 44.5 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | trans | -66.2 | 136.7 | 161.2 | -115.8 | 26 | 0 | 0 | 0 | 107.4 | R198 S202 | R198-N200 PolarHBondContact O-N 3.04Å; N200-S202 PolarHBondContact O-N 2.91Å | ||
| 201 | G | 42.6 | Very low | 45.7 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 90% | 0.897 | 69% | 0.685 | S | S | * | * | trans | -75 | 53.2 | -167 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 202 | S | 39.3 | Very low | 46.6 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | trans | -82.6 | 131 | 165.5 | 47 | 0 | 0 | 0 | 0 | 110.7 | N200 | N200-S202 PolarHBondContact O-N 2.91Š| ||
| 203 | S | 46 | Very low | 47.7 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 52% | 0.517 | 68% | 0.684 | S | S | . | * | trans | -56 | 154.6 | 179.1 | -53.1 | 0 | 0 | 0 | 0 | 113 | L205 S206 | S203-L205 PolarHBondContact O-N 2.78Å; S203-S206 PolarHBondContact O-N 3.41Å | ||
| 204 | P | 50.5 | Low | 48.7 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 64% | 0.643 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -64.8 | 7 | 177.9 | 28.3 | -37.2 | 0 | 0 | 0 | 115.4 | S206 | P204-S206 PolarHBondContact O-N 3.23Š|
| 205 | L | 52.4 | Low | 50.4 | Low | 74 Ų | 74 | 113.6 Ų | 113.6 | 39% | 0.387 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -76.1 | -4.3 | 175.5 | -57.9 | 176.3 | 0 | 0 | 0 | 113 | S203 L207 F211 | S203-L205 PolarHBondContact O-N 2.78Å; L205-L207 VanDerWaalsContact C-N 3.25Å; L205-L207 PolarHBondContact O-N 3.47Å; L205-F211 HydrophobicContact CD1-CE1 4.42Å; L205-F211 HydrophobicContact CD2-CE1 4.35Å |
| 206 | S | 51.2 | Low | 52.2 | Low | 89 Ų | 89 | 111.4 Ų | 111.4 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -77 | -3.2 | 178.1 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | S203 P204 F208 | S203-S206 PolarHBondContact O-N 3.41Å; P204-S206 PolarHBondContact O-N 3.23Å; S206-F208 PolarHBondContact O-N 2.68Å |
| 207 | L | 57.4 | Low | 53.5 | Low | 141 Ų | 141 | 110.9 Ų | 110.9 | 74% | 0.738 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -71.7 | -15.1 | 174.4 | -67.2 | 175.5 | 0 | 0 | 0 | 113.4 | L205 | L205-L207 VanDerWaalsContact C-N 3.25Å; L205-L207 PolarHBondContact O-N 3.47Å |
| 208 | F | 48.9 | Very low | 55.4 | Low | 91 Ų | 91 | 106.6 Ų | 106.6 | 40% | 0.399 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -116.4 | 105.3 | 174.7 | -63 | -72.3 | 0 | 0 | 0 | 110.2 | S206 N210 F211 I222 | S206-F208 PolarHBondContact O-N 2.68Å; F208-N210 PolarHBondContact O-N 3.34Å; F208-F211 HydrophobicContact CB-CB 4.34Å; F208-F211 PolarHBondContact O-N 3.32Å; F208-I222 HydrophobicContact CE2-CG2 4.4Å |
| 209 | P | 55.5 | Low | 57.2 | Low | 116 Ų | 116 | 98 Ų | 98 | 75% | 0.753 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.6 | 136.7 | 160.6 | -23.2 | 34 | 0 | 0 | 0 | 109.1 | F211 | P209-F211 PolarHBondContact O-N 3.03Š|
| 210 | N | 55.6 | Low | 58.7 | Low | 117 Ų | 117 | 92.5 Ų | 92.5 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.7 | 20.2 | 179.1 | -62.9 | -23.8 | 0 | 0 | 0 | 118.3 | F208 N212 T213 M214 | F208-N210 PolarHBondContact O-N 3.34Å; N210-N212 PolarHBondContact O-N 3.36Å; N210-T213 PolarHBondContact O-N 2.79Å; N210-T213 PolarHBondContact O-OG1 2.97Å; N210-M214 PolarHBondContact O-N 2.95Å |
| 211 | F | 61 | Low | 60.7 | Low | 31 Ų | 31 | 90.1 Ų | 90.1 | 14% | 0.136 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -20.7 | 170.9 | -166.8 | -100.1 | 0 | 0 | 0 | 114.4 | L205 F208 P209 M214 K219 I222 | L205-F211 HydrophobicContact CD1-CE1 4.42Å; L205-F211 HydrophobicContact CD2-CE1 4.35Å; F208-F211 HydrophobicContact CB-CB 4.34Å; F208-F211 PolarHBondContact O-N 3.32Å; P209-F211 PolarHBondContact O-N 3.03Å; F211-M214 HydrophobicContact CD2-SD 3.93Å; F211-K219 HydrophobicContact CE1-CD 4.31Å; F211-K219 HydrophobicContact CE1-CG 4.48Å; F211-K219 HydrophobicContact CE2-CG 4.25Å; F211-K219 HydrophobicContact CZ-CB 4.16Å; F211-K219 HydrophobicContact CZ-CD 4.4Å; F211-K219 HydrophobicContact CZ-CG 4.09Å; F211-K219 VanDerWaalsContact O-CE 3.24Å; F211-K219 WeakPolarHBondContact O-CE 3.48Å; F211-K219 PolarHBondContact O-NZ 3.03Å; F211-I222 HydrophobicContact CE2-CB 4.41Å; F211-I222 HydrophobicContact CE2-CD1 4.33Å; F211-I222 HydrophobicContact CE2-CG2 4.01Å |
| 212 | N | 60.8 | Low | 62.2 | Low | 152 Ų | 152 | 87.5 Ų | 87.5 | 81% | 0.813 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -32.3 | 172 | -96.6 | -14.2 | 0 | 0 | 0 | 114.1 | N210 K219 | N210-N212 PolarHBondContact O-N 3.36Å; N212-K219 VanDerWaalsContact C-NZ 3.29Å; N212-K219 PolarHBondContact O-NZ 2.88Å |
| 213 | T | 67.8 | Low | 63.6 | Low | 113 Ų | 113 | 87 Ų | 87 | 69% | 0.693 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -4.1 | -175.9 | 67.3 | 0 | 0 | 0 | 0 | 114.4 | N210 | N210-T213 PolarHBondContact O-N 2.79Å; N210-T213 PolarHBondContact O-OG1 2.97Å |
| 214 | M | 70.1 | Confident | 64.5 | Low | 49 Ų | 49 | 91.3 Ų | 91.3 | 24% | 0.241 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -62.7 | 155.5 | 174.5 | -60.6 | -175.5 | 77.5 | 0 | 0 | 112.3 | N210 F211 Q218 K219 I222 | N210-M214 PolarHBondContact O-N 2.95Å; F211-M214 HydrophobicContact CD2-SD 3.93Å; M214-Q218 HydrophobicContact CE-CB 3.99Å; M214-K219 HydrophobicContact CB-CG 4.11Å; M214-K219 WeakPolarHBondContact O-CE 3.23Å; M214-I222 HydrophobicContact CE-CD1 3.66Å; M214-I222 HydrophobicContact SD-CD1 4.06Å |
| 215 | D | 74.9 | Confident | 65.6 | Low | 82 Ų | 82 | 91.2 Ų | 91.2 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | trans | -60.1 | 135.3 | 173.5 | -176.2 | -34.8 | 0 | 0 | 0 | 110.7 | V217 Q218 K219 | D215-V217 PolarHBondContact O-N 3.49Å; D215-V217 VanDerWaalsContact O-N 3.12Å; D215-V217 WeakPolarHBondContact OD1-CB 3.47Å; D215-V217 WeakPolarHBondContact OD1-CG2 3.47Å; D215-V217 PolarHBondContact OD1-N 3.37Å; D215-Q218 HydrophobicContact CB-CB 4.32Å; D215-Q218 HydrophobicContact CB-CG 4.06Å; D215-Q218 WeakPolarHBondContact O-CB 3.22Å; D215-Q218 PolarHBondContact O-N 2.93Å; D215-K219 WeakPolarHBondContact O-CG 3.41Å; D215-K219 PolarHBondContact O-N 2.94Å | ||
| 216 | P | 77.2 | Confident | 66.4 | Low | 101 Ų | 101 | 94 Ų | 94 | 66% | 0.656 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -50.1 | -31.3 | 172.4 | 21 | -33.8 | 0 | 0 | 0 | 114.6 | K219 A220 | P216-K219 PolarHBondContact O-N 3.4Å; P216-A220 WeakPolarHBondContact O-CB 3.46Å; P216-A220 PolarHBondContact O-N 3.48Å |
| 217 | V | 68.9 | Low | 66.9 | Low | 97 Ų | 97 | 92.5 Ų | 92.5 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -47.2 | 173 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | D215 K219 A220 V221 | D215-V217 PolarHBondContact O-N 3.49Å; D215-V217 VanDerWaalsContact O-N 3.12Å; D215-V217 WeakPolarHBondContact OD1-CB 3.47Å; D215-V217 WeakPolarHBondContact OD1-CG2 3.47Å; D215-V217 PolarHBondContact OD1-N 3.37Å; V217-K219 VanDerWaalsContact C-N 3.32Å; V217-K219 PolarHBondContact O-N 2.75Å; V217-A220 WeakPolarHBondContact O-CB 3.33Å; V217-A220 PolarHBondContact O-N 3.15Å; V217-A220 VanDerWaalsContact O-N 3.15Å; V217-V221 WeakPolarHBondContact O-CG2 2.82Å; V217-V221 PolarHBondContact O-N 3.44Å |
| 218 | Q | 69.8 | Low | 66.8 | Low | 100 Ų | 100 | 88.9 Ų | 88.9 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 175.4 | -67.4 | 177.1 | -25.5 | 0 | 0 | 111.6 | M214 D215 A220 V221 I222 | M214-Q218 HydrophobicContact CE-CB 3.99Å; D215-Q218 HydrophobicContact CB-CB 4.32Å; D215-Q218 HydrophobicContact CB-CG 4.06Å; D215-Q218 WeakPolarHBondContact O-CB 3.22Å; D215-Q218 PolarHBondContact O-N 2.93Å; Q218-A220 VanDerWaalsContact C-N 3.33Å; Q218-A220 PolarHBondContact O-N 2.95Å; Q218-V221 PolarHBondContact O-N 3.43Å; Q218-I222 WeakPolarHBondContact O-CB 3.47Å; Q218-I222 WeakPolarHBondContact O-CG1 3.37Å; Q218-I222 PolarHBondContact O-N 3.12Å |
| 219 | K | 75.7 | Confident | 66.9 | Low | 43 Ų | 43 | 90 Ų | 90 | 19% | 0.187 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 173.7 | -59.4 | -172.5 | -151.1 | -153.3 | 0 | 111.9 | F211 N212 M214 D215 P216 V217 N223 | F211-K219 HydrophobicContact CE1-CD 4.31Å; F211-K219 HydrophobicContact CE1-CG 4.48Å; F211-K219 HydrophobicContact CE2-CG 4.25Å; F211-K219 HydrophobicContact CZ-CB 4.16Å; F211-K219 HydrophobicContact CZ-CD 4.4Å; F211-K219 HydrophobicContact CZ-CG 4.09Å; F211-K219 VanDerWaalsContact O-CE 3.24Å; F211-K219 WeakPolarHBondContact O-CE 3.48Å; F211-K219 PolarHBondContact O-NZ 3.03Å; N212-K219 VanDerWaalsContact C-NZ 3.29Å; N212-K219 PolarHBondContact O-NZ 2.88Å; M214-K219 HydrophobicContact CB-CG 4.11Å; M214-K219 WeakPolarHBondContact O-CE 3.23Å; D215-K219 WeakPolarHBondContact O-CG 3.41Å; D215-K219 PolarHBondContact O-N 2.94Å; P216-K219 PolarHBondContact O-N 3.4Å; V217-K219 VanDerWaalsContact C-N 3.32Å; V217-K219 PolarHBondContact O-N 2.75Å; K219-N223 VanDerWaalsContact O-CB 3.31Å; K219-N223 WeakPolarHBondContact O-CB 3.33Å; K219-N223 PolarHBondContact O-N 2.97Å; K219-N223 PolarHBondContact O-ND2 3.46Å |
| 220 | A | 72.1 | Confident | 66.9 | Low | 58 Ų | 58 | 91 Ų | 91 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P216 V217 Q218 N223 H224 | P216-A220 WeakPolarHBondContact O-CB 3.46Å; P216-A220 PolarHBondContact O-N 3.48Å; V217-A220 WeakPolarHBondContact O-CB 3.33Å; V217-A220 PolarHBondContact O-N 3.15Å; V217-A220 VanDerWaalsContact O-N 3.15Å; Q218-A220 VanDerWaalsContact C-N 3.33Å; Q218-A220 PolarHBondContact O-N 2.95Å; A220-N223 PolarHBondContact O-N 2.99Å; A220-H224 VanDerWaalsContact O-CB 3.32Å; A220-H224 WeakPolarHBondContact O-CB 3.46Å; A220-H224 PolarHBondContact O-N 2.77Å |
| 221 | V | 77.4 | Confident | 66.7 | Low | 84 Ų | 84 | 90.2 Ų | 90.2 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | V217 Q218 N223 H224 T225 | V217-V221 WeakPolarHBondContact O-CG2 2.82Å; V217-V221 PolarHBondContact O-N 3.44Å; Q218-V221 PolarHBondContact O-N 3.43Å; V221-N223 PolarHBondContact O-N 3.04Å; V221-H224 PolarHBondContact O-N 3.01Å; V221-T225 WeakPolarHBondContact O-CB 3.15Å; V221-T225 PolarHBondContact O-N 3.32Å; V221-T225 PolarHBondContact O-OG1 3Å; V221-T225 VanDerWaalsContact O-OG1 3.12Å |
| 222 | I | 74.7 | Confident | 66.4 | Low | 31 Ų | 31 | 96.8 Ų | 96.8 | 16% | 0.159 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.7 | -69.7 | 168.4 | 0 | 0 | 0 | 111.1 | F208 F211 M214 Q218 H224 F226 | F208-I222 HydrophobicContact CE2-CG2 4.4Å; F211-I222 HydrophobicContact CE2-CB 4.41Å; F211-I222 HydrophobicContact CE2-CD1 4.33Å; F211-I222 HydrophobicContact CE2-CG2 4.01Å; M214-I222 HydrophobicContact CE-CD1 3.66Å; M214-I222 HydrophobicContact SD-CD1 4.06Å; Q218-I222 WeakPolarHBondContact O-CB 3.47Å; Q218-I222 WeakPolarHBondContact O-CG1 3.37Å; Q218-I222 PolarHBondContact O-N 3.12Å; I222-H224 VanDerWaalsContact C-N 3.3Å; I222-H224 PolarHBondContact O-N 3.39Å; I222-F226 HydrophobicContact CG2-CD2 3.94Å; I222-F226 WeakPolarHBondContact O-CB 3.18Å; I222-F226 WeakPolarHBondContact O-CD2 3.47Å; I222-F226 PolarHBondContact O-N 2.93Å |
| 223 | N | 66.9 | Low | 66 | Low | 85 Ų | 85 | 97.3 Ų | 97.3 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 175.9 | -74.1 | -32.1 | 0 | 0 | 0 | 112.7 | K219 A220 V221 G227 | K219-N223 VanDerWaalsContact O-CB 3.31Å; K219-N223 WeakPolarHBondContact O-CB 3.33Å; K219-N223 PolarHBondContact O-N 2.97Å; K219-N223 PolarHBondContact O-ND2 3.46Å; A220-N223 PolarHBondContact O-N 2.99Å; V221-N223 PolarHBondContact O-N 3.04Å; N223-G227 PolarHBondContact O-N 3.49Å |
| 224 | H | 65.8 | Low | 65.6 | Low | 165 Ų | 165 | 101.4 Ų | 101.4 | 76% | 0.764 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -73.4 | -46.9 | 178.7 | -173.8 | -89.9 | 0 | 0 | 0 | 111.9 | A220 V221 I222 | A220-H224 VanDerWaalsContact O-CB 3.32Å; A220-H224 WeakPolarHBondContact O-CB 3.46Å; A220-H224 PolarHBondContact O-N 2.77Å; V221-H224 PolarHBondContact O-N 3.01Å; I222-H224 VanDerWaalsContact C-N 3.3Å; I222-H224 PolarHBondContact O-N 3.39Å |
| 225 | T | 73.1 | Confident | 65.3 | Low | 97 Ų | 97 | 105.8 Ų | 105.8 | 60% | 0.595 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74 | -37.6 | -176.1 | -59.9 | 0 | 0 | 0 | 0 | 113.1 | V221 | V221-T225 WeakPolarHBondContact O-CB 3.15Å; V221-T225 PolarHBondContact O-N 3.32Å; V221-T225 PolarHBondContact O-OG1 3Å; V221-T225 VanDerWaalsContact O-OG1 3.12Å |
| 226 | F | 69.4 | Low | 64.8 | Low | 133 Ų | 133 | 109.4 Ų | 109.4 | 58% | 0.583 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -94.1 | 3.3 | -177.9 | -68.3 | -80.2 | 0 | 0 | 0 | 114.4 | I222 V228 | I222-F226 HydrophobicContact CG2-CD2 3.94Å; I222-F226 WeakPolarHBondContact O-CB 3.18Å; I222-F226 WeakPolarHBondContact O-CD2 3.47Å; I222-F226 PolarHBondContact O-N 2.93Å; F226-V228 PolarHBondContact O-N 2.86Å |
| 227 | G | 63 | Low | 64.8 | Low | 57 Ų | 57 | 108.6 Ų | 108.6 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | trans | 54.7 | 30.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116 | N223 P229 | N223-G227 PolarHBondContact O-N 3.49Å; G227-P229 WeakPolarHBondContact O-CD 3.35Å; G227-P229 VanDerWaalsContact O-N 3.12Å | ||
| 228 | V | 55.2 | Low | 65.8 | Low | 65 Ų | 65 | 106.1 Ų | 106.1 | 39% | 0.394 | 56% | 0.556 | S | S | . | * | trans | -58 | 117 | -168.8 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | F226 H230 | F226-V228 PolarHBondContact O-N 2.86Å; V228-H230 PolarHBondContact O-N 3.32Å | ||
| 229 | P | 49.8 | Very low | 67 | Low | 114 Ų | 114 | 104 Ų | 104 | 74% | 0.74 | 55% | 0.552 | S | S | * | * | trans | -63.4 | 115.9 | 179.1 | 24.9 | -32.9 | 0 | 0 | 0 | 108.9 | G227 P231 | G227-P229 WeakPolarHBondContact O-CD 3.35Å; G227-P229 VanDerWaalsContact O-N 3.12Å; P229-P231 WeakPolarHBondContact O-CD 3.48Å | ||
| 230 | H | 55.6 | Low | 67.9 | Low | 138 Ų | 138 | 101.9 Ų | 101.9 | 64% | 0.639 | 54% | 0.543 | S | S | * | . | trans | -52.9 | 112.6 | -170.8 | -151 | 92.9 | 0 | 0 | 0 | 109.6 | V228 L232 K233 | V228-H230 PolarHBondContact O-N 3.32Å; H230-L232 PolarHBondContact O-N 3.47Å; H230-K233 WeakPolarHBondContact NE2-CE 3.4Å; H230-K233 PolarHBondContact NE2-NZ 3.46Å | ||
| 231 | P | 51.8 | Low | 68.8 | Low | 99 Ų | 99 | 105.2 Ų | 105.2 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | trans | -61 | 116.5 | -164.5 | 20.7 | -32.5 | 0 | 0 | 0 | 109.6 | P229 K233 | P229-P231 WeakPolarHBondContact O-CD 3.48Å; P231-K233 WeakPolarHBondContact O-CA 3.23Å; P231-K233 PolarHBondContact O-N 3.31Å | ||
| 232 | L | 54 | Low | 69.5 | Low | 170 Ų | 170 | 103.9 Ų | 103.9 | 89% | 0.89 | 54% | 0.542 | S | S | * | . | trans | -51.5 | 105.3 | -167.3 | -69.9 | 176.7 | 0 | 0 | 0 | 110.1 | H230 K234 | H230-L232 PolarHBondContact O-N 3.47Å; L232-K234 PolarHBondContact O-N 2.95Å | ||
| 233 | K | 52.6 | Low | 70.3 | Confident | 162 Ų | 162 | 103.5 Ų | 103.5 | 70% | 0.704 | 54% | 0.542 | S | S | * | . | trans | -57.4 | 101.4 | -161.5 | -68.5 | -178.1 | -179.6 | 173.5 | 0 | 110.1 | H230 P231 K235 | H230-K233 WeakPolarHBondContact NE2-CE 3.4Å; H230-K233 PolarHBondContact NE2-NZ 3.46Å; P231-K233 WeakPolarHBondContact O-CA 3.23Å; P231-K233 PolarHBondContact O-N 3.31Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.03Å | ||
| 234 | K | 59.2 | Low | 71.4 | Confident | 200 Ų | 200 | 106.3 Ų | 106.3 | 87% | 0.87 | 55% | 0.552 | S | S | * | * | trans | -60.5 | 94.9 | -178.7 | -172.9 | 175.5 | -174.7 | 175 | 0 | 108 | L232 Q236 | L232-K234 PolarHBondContact O-N 2.95Å; K234-Q236 PolarHBondContact O-N 3.47Å | ||
| 235 | K | 63.5 | Low | 72.7 | Confident | 140 Ų | 140 | 102.3 Ų | 102.3 | 61% | 0.609 | 54% | 0.536 | S | S | * | . | trans | -47.8 | 109.6 | -163.7 | -61 | -175.7 | -179.9 | -179.2 | 0 | 110.3 | K233 I237 N248 | K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.03Å; K235-I237 WeakPolarHBondContact O-CG1 3.44Å; K235-I237 PolarHBondContact O-N 2.88Å; K235-N248 WeakPolarHBondContact CD-OD1 3.38Å; K235-N248 PolarHBondContact NZ-OD1 2.9Å | ||
| 236 | Q | 66.1 | Low | 73.7 | Confident | 159 Ų | 159 | 105.8 Ų | 105.8 | 74% | 0.743 | 54% | 0.538 | S | S | * | . | trans | -65.1 | 110.9 | -176.1 | -69.9 | -173.1 | -4.3 | 0 | 0 | 108.9 | K234 I238 | K234-Q236 PolarHBondContact O-N 3.47Å; Q236-I238 VanDerWaalsContact C-N 3.3Å; Q236-I238 PolarHBondContact O-N 3.24Å | ||
| 237 | I | 77 | Confident | 74.9 | Confident | 83 Ų | 83 | 100.5 Ų | 100.5 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | trans | -80.7 | 82 | -175.3 | -54.1 | -178 | 0 | 0 | 0 | 108.7 | K235 S239 R246 F247 | K235-I237 WeakPolarHBondContact O-CG1 3.44Å; K235-I237 PolarHBondContact O-N 2.88Å; I237-S239 PolarHBondContact O-N 2.83Å; I237-R246 HydrophobicContact CG2-CB 3.87Å; I237-F247 WeakPolarHBondContact CA-O 3.41Å; I237-F247 WeakPolarHBondContact CG2-O 3.26Å | ||
| 238 | I | 89.6 | Confident | 76.2 | Confident | 45 Ų | 45 | 101.8 Ų | 101.8 | 23% | 0.231 | 51% | 0.508 | C | S | . | . | trans | -66.6 | 121.9 | 179.7 | -64.7 | 157.4 | 0 | 0 | 0 | 108.9 | Q236 F247 T250 A253 Y257 | Q236-I238 VanDerWaalsContact C-N 3.3Å; Q236-I238 PolarHBondContact O-N 3.24Å; I238-F247 PolarHBondContact N-O 3.08Å; I238-F247 PolarHBondContact O-N 3.26Å; I238-T250 HydrophobicContact CD1-CG2 3.81Å; I238-A253 HydrophobicContact CB-CB 3.98Å; I238-A253 HydrophobicContact CG2-CB 3.52Å; I238-Y257 HydrophobicContact CG2-CE2 4.38Å | ||
| 239 | S | 93.9 | Very high | 77.9 | Confident | 55 Ų | 55 | 100.8 Ų | 100.8 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134.1 | -178.1 | 56 | 0 | 0 | 0 | 0 | 112.2 | I237 L245 Y257 | I237-S239 PolarHBondContact O-N 2.83Å; S239-L245 CarbonylContact C-O 3.57Å; S239-L245 WeakPolarHBondContact CA-O 3.27Å; S239-Y257 PolarHBondContact O-OH 3.41Å |
| 240 | C | 95 | Very high | 80 | Confident | 0 Ų | 0 | 98.5 Ų | 98.5 | 0% | 0 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 107.1 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | I242 C243 H244 L245 F247 H256 Y257 H262 | C240-I242 VanDerWaalsContact C-N 3.3Å; C240-I242 PolarHBondContact O-N 3.33Å; C240-C243 PolarHBondContact O-N 2.84Å; C240-H244 VanDerWaalsContact O-CA 3.27Å; C240-H244 WeakPolarHBondContact O-CA 3.36Å; C240-H244 PolarHBondContact O-N 2.89Å; C240-L245 PolarHBondContact N-O 3.31Å; C240-F247 HydrophobicContact CB-CE2 4.17Å; C240-H256 PolarHBondContact SG-NE2 2.95Å; C240-H256 VanDerWaalsContact SG-NE2 3.35Å; C240-Y257 WeakPolarHBondContact CA-OH 3.36Å; C240-Y257 HydrophobicContact CB-CE1 4Å; C240-H262 PolarHBondContact SG-CE1 2.75Å; C240-H262 PolarHBondContact SG-ND1 3.31Å |
| 241 | N | 91.8 | Very high | 81.8 | Confident | 127 Ų | 127 | 97.6 Ų | 97.6 | 68% | 0.679 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -30 | -177.3 | -66.6 | -15.1 | 0 | 0 | 0 | 113.6 | H244 | N241-H244 PolarHBondContact O-CE1 3.32Å; N241-H244 PolarHBondContact O-ND1 3.26Å |
| 242 | I | 92.6 | Very high | 83.8 | Confident | 56 Ų | 56 | 98 Ų | 98 | 29% | 0.287 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -39 | 178.9 | -67.4 | 145.3 | 0 | 0 | 0 | 111.2 | C240 K265 L266 | C240-I242 VanDerWaalsContact C-N 3.3Å; C240-I242 PolarHBondContact O-N 3.33Å; I242-K265 HydrophobicContact CG2-CB 4.1Å; I242-K265 HydrophobicContact CG2-CD 4.18Å; I242-K265 HydrophobicContact CG2-CG 4.02Å; I242-K265 VanDerWaalsContact O-CD 3.24Å; I242-K265 WeakPolarHBondContact O-CD 3.28Å; I242-K265 WeakPolarHBondContact O-CE 3.49Å; I242-K265 PolarHBondContact O-NZ 2.87Å; I242-L266 HydrophobicContact CD1-CD2 3.49Å; I242-L266 VanDerWaalsContact CD1-CD2 3.49Å; I242-L266 HydrophobicContact CD1-CG 4.11Å; I242-L266 HydrophobicContact CG1-CD2 4.39Å |
| 243 | C | 91.1 | Very high | 85.7 | Confident | 23 Ų | 23 | 90 Ų | 90 | 16% | 0.155 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -14.8 | -176.1 | -66.1 | 0 | 0 | 0 | 0 | 114.4 | C240 L245 H256 | C240-C243 PolarHBondContact O-N 2.84Å; C243-L245 VanDerWaalsContact C-N 3.27Å; C243-L245 HydrophobicContact CB-CD1 3.68Å; C243-L245 PolarHBondContact O-N 2.76Å; C243-H256 WeakPolarHBondContact CB-NE2 3.42Å; C243-H256 PolarHBondContact SG-NE2 3.07Å; C243-H256 VanDerWaalsContact SG-NE2 3.38Å |
| 244 | H | 90.5 | Very high | 87.6 | Confident | 145 Ų | 145 | 86.8 Ų | 86.8 | 67% | 0.671 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 29.1 | -171.3 | -43.2 | -68.6 | 0 | 0 | 0 | 114.6 | C240 N241 | C240-H244 VanDerWaalsContact O-CA 3.27Å; C240-H244 WeakPolarHBondContact O-CA 3.36Å; C240-H244 PolarHBondContact O-N 2.89Å; N241-H244 PolarHBondContact O-CE1 3.32Å; N241-H244 PolarHBondContact O-ND1 3.26Å |
| 245 | L | 92.4 | Very high | 89.3 | Confident | 80 Ų | 80 | 80.6 Ų | 80.6 | 42% | 0.419 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 144 | 168.1 | -80.1 | 83.7 | 0 | 0 | 0 | 110.4 | S239 C240 C243 F247 | S239-L245 CarbonylContact C-O 3.57Å; S239-L245 WeakPolarHBondContact CA-O 3.27Å; C240-L245 PolarHBondContact N-O 3.31Å; C243-L245 VanDerWaalsContact C-N 3.27Å; C243-L245 HydrophobicContact CB-CD1 3.68Å; C243-L245 PolarHBondContact O-N 2.76Å; L245-F247 HydrophobicContact CB-CE1 4.2Å; L245-F247 HydrophobicContact CB-CE2 3.67Å; L245-F247 HydrophobicContact CB-CZ 3.43Å; L245-F247 VanDerWaalsContact CB-CZ 3.43Å; L245-F247 HydrophobicContact CD2-CE1 3.97Å; L245-F247 HydrophobicContact CD2-CZ 3.69Å; L245-F247 HydrophobicContact CG-CZ 4.19Å |
| 246 | R | 93.6 | Very high | 90.9 | Very high | 170 Ų | 170 | 75.1 Ų | 75.1 | 64% | 0.642 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.8 | 173.1 | -61.9 | 179.6 | 71 | -165.6 | 3.7 | 108.5 | I237 | I237-R246 HydrophobicContact CG2-CB 3.87Å |
| 247 | F | 94.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 71.9 Ų | 71.9 | 10% | 0.101 | 37% | 0.371 | C | S | . | . | trans | -110.3 | 145.9 | -176.6 | -59.8 | -76.5 | 0 | 0 | 0 | 111.1 | I237 I238 C240 L245 Q252 A253 H256 | I237-F247 WeakPolarHBondContact CA-O 3.41Å; I237-F247 WeakPolarHBondContact CG2-O 3.26Å; I238-F247 PolarHBondContact N-O 3.08Å; I238-F247 PolarHBondContact O-N 3.26Å; C240-F247 HydrophobicContact CB-CE2 4.17Å; L245-F247 HydrophobicContact CB-CE1 4.2Å; L245-F247 HydrophobicContact CB-CE2 3.67Å; L245-F247 HydrophobicContact CB-CZ 3.43Å; L245-F247 VanDerWaalsContact CB-CZ 3.43Å; L245-F247 HydrophobicContact CD2-CE1 3.97Å; L245-F247 HydrophobicContact CD2-CZ 3.69Å; L245-F247 HydrophobicContact CG-CZ 4.19Å; F247-Q252 HydrophobicContact CB-CB 4.19Å; F247-Q252 HydrophobicContact CD1-CB 3.88Å; F247-Q252 HydrophobicContact CG-CB 4.3Å; F247-A253 HydrophobicContact CB-CB 4.1Å; F247-A253 HydrophobicContact CD2-CB 3.77Å; F247-A253 HydrophobicContact CG-CB 4.1Å; F247-H256 HydrophobicContact CE1-CB 4.03Å; F247-H256 HydrophobicContact CE2-CB 3.76Å; F247-H256 AromaticContact CE2-CD2 3.84Å; F247-H256 AromaticContact CE2-CG 3.7Å; F247-H256 HydrophobicContact CZ-CB 3.37Å; F247-H256 AromaticContact CZ-CD2 3.9Å; F247-H256 AromaticContact CZ-CG 3.33Å; F247-H256 AromaticContact CZ-ND1 3.64Å | ||
| 248 | N | 91.3 | Very high | 93.2 | Very high | 83 Ų | 83 | 76.7 Ų | 76.7 | 44% | 0.444 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -90.6 | -0.5 | 179.3 | -163.7 | -118.5 | 0 | 0 | 0 | 113.2 | K235 | K235-N248 WeakPolarHBondContact CD-OD1 3.38Å; K235-N248 PolarHBondContact NZ-OD1 2.9Å |
| 249 | S | 91.4 | Very high | 93.5 | Very high | 44 Ų | 44 | 75.5 Ų | 75.5 | 31% | 0.308 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -152.2 | 141.1 | -174 | 164.8 | 0 | 0 | 0 | 0 | 110.1 | N251 Q252 A253 | S249-N251 PolarHBondContact O-N 3.22Å; S249-Q252 PolarHBondContact O-N 3.31Å; S249-A253 PolarHBondContact O-N 2.82Å |
| 250 | T | 92.3 | Very high | 93.6 | Very high | 66 Ų | 66 | 79.9 Ų | 79.9 | 41% | 0.405 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.1 | -48.4 | 177.8 | -42.9 | 0 | 0 | 0 | 0 | 111.9 | I238 Q252 A253 E254 | I238-T250 HydrophobicContact CD1-CG2 3.81Å; T250-Q252 PolarHBondContact O-N 3.24Å; T250-A253 CarbonylContact O-C 3.58Å; T250-A253 WeakPolarHBondContact O-CA 3.39Å; T250-A253 WeakPolarHBondContact O-CB 3.39Å; T250-A253 PolarHBondContact O-N 3.21Å; T250-E254 WeakPolarHBondContact CG2-OE1 3.42Å; T250-E254 PolarHBondContact O-N 3.4Å |
| 251 | N | 95 | Very high | 93.5 | Very high | 120 Ų | 120 | 88.5 Ų | 88.5 | 64% | 0.642 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.5 | -33 | -179.1 | -53 | 50.2 | 0 | 0 | 0 | 112.1 | S249 A255 | S249-N251 PolarHBondContact O-N 3.22Å; N251-A255 VanDerWaalsContact O-CB 3.24Å; N251-A255 WeakPolarHBondContact O-CB 3.01Å; N251-A255 PolarHBondContact O-N 2.81Å |
| 252 | Q | 91.9 | Very high | 93.7 | Very high | 107 Ų | 107 | 82.8 Ų | 82.8 | 50% | 0.5 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.6 | -36.6 | 174.3 | -65 | -178.7 | 22.7 | 0 | 0 | 112.3 | F247 S249 T250 H256 | F247-Q252 HydrophobicContact CB-CB 4.19Å; F247-Q252 HydrophobicContact CD1-CB 3.88Å; F247-Q252 HydrophobicContact CG-CB 4.3Å; S249-Q252 PolarHBondContact O-N 3.31Å; T250-Q252 PolarHBondContact O-N 3.24Å; Q252-H256 WeakPolarHBondContact O-CB 3.49Å; Q252-H256 PolarHBondContact O-N 2.88Å |
| 253 | A | 94.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 81.6 Ų | 81.6 | 2% | 0.017 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I238 F247 S249 T250 H256 Y257 | I238-A253 HydrophobicContact CB-CB 3.98Å; I238-A253 HydrophobicContact CG2-CB 3.52Å; F247-A253 HydrophobicContact CB-CB 4.1Å; F247-A253 HydrophobicContact CD2-CB 3.77Å; F247-A253 HydrophobicContact CG-CB 4.1Å; S249-A253 PolarHBondContact O-N 2.82Å; T250-A253 CarbonylContact O-C 3.58Å; T250-A253 WeakPolarHBondContact O-CA 3.39Å; T250-A253 WeakPolarHBondContact O-CB 3.39Å; T250-A253 PolarHBondContact O-N 3.21Å; A253-H256 CarbonylContact O-C 3.59Å; A253-H256 WeakPolarHBondContact O-CA 3.24Å; A253-H256 WeakPolarHBondContact O-CB 3.4Å; A253-H256 PolarHBondContact O-N 3.47Å; A253-H256 VanDerWaalsContact O-N 3.15Å; A253-Y257 HydrophobicContact CB-CD2 4.4Å; A253-Y257 HydrophobicContact CB-CE2 4.14Å; A253-Y257 WeakPolarHBondContact O-CD2 3.34Å; A253-Y257 PolarHBondContact O-N 3.18Å |
| 254 | E | 93.6 | Very high | 94 | Very high | 95 Ų | 95 | 88.5 Ų | 88.5 | 44% | 0.444 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 176.2 | -71.6 | 177.8 | -150.8 | 0 | 0 | 112.6 | T250 H256 Y257 K258 | T250-E254 WeakPolarHBondContact CG2-OE1 3.42Å; T250-E254 PolarHBondContact O-N 3.4Å; E254-H256 PolarHBondContact O-N 2.93Å; E254-Y257 PolarHBondContact O-N 3.23Å; E254-K258 WeakPolarHBondContact O-CB 3.43Å; E254-K258 PolarHBondContact O-N 3.26Å |
| 255 | A | 95.4 | Very high | 94.1 | Very high | 69 Ų | 69 | 85.4 Ų | 85.4 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62 | -28.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N251 G259 | N251-A255 VanDerWaalsContact O-CB 3.24Å; N251-A255 WeakPolarHBondContact O-CB 3.01Å; N251-A255 PolarHBondContact O-N 2.81Å; A255-G259 WeakPolarHBondContact O-CA 3.14Å; A255-G259 PolarHBondContact O-N 3.17Å |
| 256 | H | 96.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 84.1 Ų | 84.1 | 12% | 0.116 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -71.3 | -50.8 | 169.8 | 176.9 | 80.3 | 0 | 0 | 0 | 112.2 | C240 C243 F247 Q252 A253 E254 K258 G259 H262 | C240-H256 PolarHBondContact SG-NE2 2.95Å; C240-H256 VanDerWaalsContact SG-NE2 3.35Å; C243-H256 WeakPolarHBondContact CB-NE2 3.42Å; C243-H256 PolarHBondContact SG-NE2 3.07Å; C243-H256 VanDerWaalsContact SG-NE2 3.38Å; F247-H256 HydrophobicContact CE1-CB 4.03Å; F247-H256 HydrophobicContact CE2-CB 3.76Å; F247-H256 AromaticContact CE2-CD2 3.84Å; F247-H256 AromaticContact CE2-CG 3.7Å; F247-H256 HydrophobicContact CZ-CB 3.37Å; F247-H256 AromaticContact CZ-CD2 3.9Å; F247-H256 AromaticContact CZ-CG 3.33Å; F247-H256 AromaticContact CZ-ND1 3.64Å; Q252-H256 WeakPolarHBondContact O-CB 3.49Å; Q252-H256 PolarHBondContact O-N 2.88Å; A253-H256 CarbonylContact O-C 3.59Å; A253-H256 WeakPolarHBondContact O-CA 3.24Å; A253-H256 WeakPolarHBondContact O-CB 3.4Å; A253-H256 PolarHBondContact O-N 3.47Å; A253-H256 VanDerWaalsContact O-N 3.15Å; E254-H256 PolarHBondContact O-N 2.93Å; H256-K258 PolarHBondContact O-N 3.25Å; H256-G259 WeakPolarHBondContact O-CA 3.43Å; H256-G259 PolarHBondContact O-N 2.86Å; H256-H262 AromaticContact CD2-ND1 3.68Å; H256-H262 AromaticContact NE2-CG 3.93Å; H256-H262 AromaticContact NE2-ND1 3.29Å; H256-H262 PolarHBondContact NE2-ND1 3.31Å; H256-H262 WeakPolarHBondContact O-CB 3.24Å |
| 257 | Y | 96.2 | Very high | 94.2 | Very high | 92 Ų | 92 | 83.3 Ų | 83.3 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | -178.7 | -73.5 | -60.6 | 0 | 0 | 0 | 112.4 | I238 S239 C240 A253 E254 G259 H262 | I238-Y257 HydrophobicContact CG2-CE2 4.38Å; S239-Y257 PolarHBondContact O-OH 3.41Å; C240-Y257 WeakPolarHBondContact CA-OH 3.36Å; C240-Y257 HydrophobicContact CB-CE1 4Å; A253-Y257 HydrophobicContact CB-CD2 4.4Å; A253-Y257 HydrophobicContact CB-CE2 4.14Å; A253-Y257 WeakPolarHBondContact O-CD2 3.34Å; A253-Y257 PolarHBondContact O-N 3.18Å; E254-Y257 PolarHBondContact O-N 3.23Å; Y257-G259 PolarHBondContact O-N 3.48Å; Y257-H262 AromaticContact CD1-CE1 3.55Å; Y257-H262 AromaticContact CD1-NE2 3.63Å; Y257-H262 AromaticContact CE1-CE1 3.83Å; Y257-H262 PolarHBondContact O-CD2 2.7Å |
| 258 | K | 95.4 | Very high | 94.2 | Very high | 183 Ų | 183 | 85 Ų | 85 | 80% | 0.796 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -5.4 | 173 | -64.7 | 179.6 | 178.4 | 174 | 0 | 113 | E254 H256 | E254-K258 WeakPolarHBondContact O-CB 3.43Å; E254-K258 PolarHBondContact O-N 3.26Å; H256-K258 PolarHBondContact O-N 3.25Å |
| 259 | G | 96.4 | Very high | 94.1 | Very high | 20 Ų | 20 | 85.8 Ų | 85.8 | 21% | 0.206 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -83.6 | 142.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A255 H256 Y257 K261 H262 A263 | A255-G259 WeakPolarHBondContact O-CA 3.14Å; A255-G259 PolarHBondContact O-N 3.17Å; H256-G259 WeakPolarHBondContact O-CA 3.43Å; H256-G259 PolarHBondContact O-N 2.86Å; Y257-G259 PolarHBondContact O-N 3.48Å; G259-K261 PolarHBondContact O-N 3.2Å; G259-H262 WeakPolarHBondContact O-CB 3.07Å; G259-H262 PolarHBondContact O-N 2.86Å; G259-A263 PolarHBondContact O-N 3.35Å; G259-A263 VanDerWaalsContact O-N 3.08Å |
| 260 | H | 95.8 | Very high | 94.1 | Very high | 147 Ų | 147 | 88.5 Ų | 88.5 | 68% | 0.681 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -54.6 | -29.7 | -179.2 | -168.2 | 51.1 | 0 | 0 | 0 | 114.4 | R264 | H260-R264 WeakPolarHBondContact O-CB 3.39Å; H260-R264 WeakPolarHBondContact O-CG 3.48Å; H260-R264 PolarHBondContact O-N 3.25Å |
| 261 | K | 92.1 | Very high | 94.1 | Very high | 182 Ų | 182 | 88 Ų | 88 | 79% | 0.791 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | 175.2 | -67.2 | 173.3 | -174.3 | -85 | 0 | 112.1 | G259 | G259-K261 PolarHBondContact O-N 3.2Å |
| 262 | H | 95.7 | Very high | 93.7 | Very high | 7 Ų | 7 | 88.4 Ų | 88.4 | 3% | 0.032 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -75.8 | -49.5 | 176.9 | -175.1 | 85.1 | 0 | 0 | 0 | 110.8 | C240 H256 Y257 G259 R264 K265 L266 | C240-H262 PolarHBondContact SG-CE1 2.75Å; C240-H262 PolarHBondContact SG-ND1 3.31Å; H256-H262 AromaticContact CD2-ND1 3.68Å; H256-H262 AromaticContact NE2-CG 3.93Å; H256-H262 AromaticContact NE2-ND1 3.29Å; H256-H262 PolarHBondContact NE2-ND1 3.31Å; H256-H262 WeakPolarHBondContact O-CB 3.24Å; Y257-H262 AromaticContact CD1-CE1 3.55Å; Y257-H262 AromaticContact CD1-NE2 3.63Å; Y257-H262 AromaticContact CE1-CE1 3.83Å; Y257-H262 PolarHBondContact O-CD2 2.7Å; G259-H262 WeakPolarHBondContact O-CB 3.07Å; G259-H262 PolarHBondContact O-N 2.86Å; H262-R264 VanDerWaalsContact C-N 3.27Å; H262-R264 PolarHBondContact O-N 3.1Å; H262-K265 WeakPolarHBondContact O-CA 3.41Å; H262-K265 PolarHBondContact O-N 3.3Å; H262-L266 WeakPolarHBondContact NE2-CD1 3.47Å; H262-L266 PolarHBondContact O-N 2.95Å |
| 263 | A | 95.2 | Very high | 93.6 | Very high | 31 Ų | 31 | 90.4 Ų | 90.4 | 26% | 0.256 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -56.3 | -36.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G259 K267 | G259-A263 PolarHBondContact O-N 3.35Å; G259-A263 VanDerWaalsContact O-N 3.08Å; A263-K267 WeakPolarHBondContact O-CG 3.45Å; A263-K267 PolarHBondContact O-N 3.15Å; A263-K267 VanDerWaalsContact O-N 3.16Å |
| 264 | R | 95.6 | Very high | 93.1 | Very high | 167 Ų | 167 | 94.9 Ų | 94.9 | 63% | 0.63 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.1 | -37.7 | 172.2 | -78.6 | -175.7 | 179.7 | -125.5 | -2 | 113.1 | H260 H262 A268 | H260-R264 WeakPolarHBondContact O-CB 3.39Å; H260-R264 WeakPolarHBondContact O-CG 3.48Å; H260-R264 PolarHBondContact O-N 3.25Å; H262-R264 VanDerWaalsContact C-N 3.27Å; H262-R264 PolarHBondContact O-N 3.1Å; R264-A268 PolarHBondContact O-N 3.03Å |
| 265 | K | 92.6 | Very high | 92.6 | Very high | 80 Ų | 80 | 100.5 Ų | 100.5 | 35% | 0.348 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.9 | -35 | 179.8 | -160 | 175.1 | -179.4 | -163.5 | 0 | 111.8 | I242 H262 A268 M269 | I242-K265 HydrophobicContact CG2-CB 4.1Å; I242-K265 HydrophobicContact CG2-CD 4.18Å; I242-K265 HydrophobicContact CG2-CG 4.02Å; I242-K265 VanDerWaalsContact O-CD 3.24Å; I242-K265 WeakPolarHBondContact O-CD 3.28Å; I242-K265 WeakPolarHBondContact O-CE 3.49Å; I242-K265 PolarHBondContact O-NZ 2.87Å; H262-K265 WeakPolarHBondContact O-CA 3.41Å; H262-K265 PolarHBondContact O-N 3.3Å; K265-A268 PolarHBondContact O-N 3.23Å; K265-M269 VanDerWaalsContact O-CG 3.28Å; K265-M269 WeakPolarHBondContact O-CG 3.49Å; K265-M269 PolarHBondContact O-N 3.35Å |
| 266 | L | 94 | Very high | 91.6 | Very high | 53 Ų | 53 | 102.5 Ų | 102.5 | 28% | 0.277 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -53.4 | -60.8 | 167.1 | -88.1 | 173 | 0 | 0 | 0 | 111.3 | I242 H262 A268 M269 E270 | I242-L266 HydrophobicContact CD1-CD2 3.49Å; I242-L266 VanDerWaalsContact CD1-CD2 3.49Å; I242-L266 HydrophobicContact CD1-CG 4.11Å; I242-L266 HydrophobicContact CG1-CD2 4.39Å; H262-L266 WeakPolarHBondContact NE2-CD1 3.47Å; H262-L266 PolarHBondContact O-N 2.95Å; L266-A268 PolarHBondContact O-N 2.83Å; L266-A268 VanDerWaalsContact O-N 3.15Å; L266-M269 CarbonylContact O-C 3.52Å; L266-M269 WeakPolarHBondContact O-CA 3.48Å; L266-M269 WeakPolarHBondContact O-CB 3.41Å; L266-M269 PolarHBondContact O-N 2.81Å; L266-E270 WeakPolarHBondContact O-CG 3.5Å; L266-E270 PolarHBondContact O-N 2.93Å |
| 267 | K | 94.8 | Very high | 90.4 | Very high | 153 Ų | 153 | 109.5 Ų | 109.5 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.8 | -32.8 | -177.4 | -69.3 | -174.3 | 177.2 | -167.3 | 0 | 113.8 | A263 E270 A271 | A263-K267 WeakPolarHBondContact O-CG 3.45Å; A263-K267 PolarHBondContact O-N 3.15Å; A263-K267 VanDerWaalsContact O-N 3.16Å; K267-E270 WeakPolarHBondContact CA-OE2 3.31Å; K267-A271 WeakPolarHBondContact O-CB 3.35Å; K267-A271 PolarHBondContact O-N 3.46Å |
| 268 | A | 94.2 | Very high | 88.6 | Confident | 60 Ų | 60 | 115.1 Ų | 115.1 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R264 K265 L266 Q272 | R264-A268 PolarHBondContact O-N 3.03Å; K265-A268 PolarHBondContact O-N 3.23Å; L266-A268 PolarHBondContact O-N 2.83Å; L266-A268 VanDerWaalsContact O-N 3.15Å; A268-Q272 PolarHBondContact O-N 3.19Å; A268-Q272 VanDerWaalsContact O-N 3.12Å |
| 269 | M | 88.9 | Confident | 86.8 | Confident | 98 Ų | 98 | 108.4 Ų | 108.4 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 176.2 | -70.9 | -66 | -66.2 | 0 | 0 | 112.1 | K265 L266 Q272 K273 | K265-M269 VanDerWaalsContact O-CG 3.28Å; K265-M269 WeakPolarHBondContact O-CG 3.49Å; K265-M269 PolarHBondContact O-N 3.35Å; L266-M269 CarbonylContact O-C 3.52Å; L266-M269 WeakPolarHBondContact O-CA 3.48Å; L266-M269 WeakPolarHBondContact O-CB 3.41Å; L266-M269 PolarHBondContact O-N 2.81Å; M269-Q272 PolarHBondContact O-N 3Å; M269-K273 WeakPolarHBondContact O-CB 3.4Å; M269-K273 PolarHBondContact O-N 3.15Å |
| 270 | E | 91.9 | Very high | 84.8 | Confident | 101 Ų | 101 | 109.3 Ų | 109.3 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 175.2 | -72.4 | 156.5 | -167.4 | 0 | 0 | 111.4 | L266 K267 Q272 K273 N274 | L266-E270 WeakPolarHBondContact O-CG 3.5Å; L266-E270 PolarHBondContact O-N 2.93Å; K267-E270 WeakPolarHBondContact CA-OE2 3.31Å; E270-Q272 VanDerWaalsContact C-N 3.28Å; E270-Q272 PolarHBondContact O-N 3.04Å; E270-K273 PolarHBondContact O-N 2.97Å; E270-N274 VanDerWaalsContact O-CB 3.31Å; E270-N274 WeakPolarHBondContact O-CB 3.42Å; E270-N274 PolarHBondContact O-N 3.38Å |
| 271 | A | 91.4 | Very high | 82.5 | Confident | 56 Ų | 56 | 108.6 Ų | 108.6 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K267 R275 | K267-A271 WeakPolarHBondContact O-CB 3.35Å; K267-A271 PolarHBondContact O-N 3.46Å; A271-R275 WeakPolarHBondContact O-CB 3.34Å; A271-R275 WeakPolarHBondContact O-CG 3.44Å; A271-R275 PolarHBondContact O-N 3.44Å; A271-R275 VanDerWaalsContact O-N 3.14Å |
| 272 | Q | 87.2 | Confident | 80.6 | Confident | 128 Ų | 128 | 106.1 Ų | 106.1 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.1 | -41.5 | 174.6 | -170.3 | 174.6 | -61.4 | 0 | 0 | 112.3 | A268 M269 E270 Q276 | A268-Q272 PolarHBondContact O-N 3.19Å; A268-Q272 VanDerWaalsContact O-N 3.12Å; M269-Q272 PolarHBondContact O-N 3Å; E270-Q272 VanDerWaalsContact C-N 3.28Å; E270-Q272 PolarHBondContact O-N 3.04Å; Q272-Q276 PolarHBondContact O-N 3.3Å; Q272-Q276 VanDerWaalsContact O-N 3.1Å |
| 273 | K | 88.9 | Confident | 78.6 | Confident | 149 Ų | 149 | 109.9 Ų | 109.9 | 65% | 0.648 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.7 | -40.3 | 177.4 | -170.6 | 178.8 | -179.2 | -176.9 | 0 | 112.1 | M269 E270 Q276 R277 | M269-K273 WeakPolarHBondContact O-CB 3.4Å; M269-K273 PolarHBondContact O-N 3.15Å; E270-K273 PolarHBondContact O-N 2.97Å; K273-Q276 PolarHBondContact O-N 2.94Å; K273-R277 PolarHBondContact O-N 2.88Å |
| 274 | N | 83.6 | Confident | 76.5 | Confident | 97 Ų | 97 | 115.3 Ų | 115.3 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.9 | -46.2 | 176.3 | -170.6 | -12.8 | 0 | 0 | 0 | 111.1 | E270 Q276 R277 R278 | E270-N274 VanDerWaalsContact O-CB 3.31Å; E270-N274 WeakPolarHBondContact O-CB 3.42Å; E270-N274 PolarHBondContact O-N 3.38Å; N274-Q276 VanDerWaalsContact C-N 3.27Å; N274-Q276 PolarHBondContact O-N 3.48Å; N274-R277 PolarHBondContact O-N 3.34Å; N274-R277 VanDerWaalsContact O-N 3.15Å; N274-R278 PolarHBondContact O-N 3.29Å |
| 275 | R | 83.6 | Confident | 74.3 | Confident | 212 Ų | 212 | 112.9 Ų | 112.9 | 80% | 0.8 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -56.9 | -37.4 | 171.5 | -80.3 | 178.9 | 167.4 | -176.8 | -4.6 | 113.3 | A271 G279 | A271-R275 WeakPolarHBondContact O-CB 3.34Å; A271-R275 WeakPolarHBondContact O-CG 3.44Å; A271-R275 PolarHBondContact O-N 3.44Å; A271-R275 VanDerWaalsContact O-N 3.14Å; R275-G279 PolarHBondContact O-N 2.9Å |
| 276 | Q | 75.3 | Confident | 72.2 | Confident | 111 Ų | 111 | 112 Ų | 112 | 52% | 0.519 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.2 | -27.7 | 178.1 | -177 | 54.9 | 52.1 | 0 | 0 | 113.3 | Q272 K273 N274 | Q272-Q276 PolarHBondContact O-N 3.3Å; Q272-Q276 VanDerWaalsContact O-N 3.1Å; K273-Q276 PolarHBondContact O-N 2.94Å; N274-Q276 VanDerWaalsContact C-N 3.27Å; N274-Q276 PolarHBondContact O-N 3.48Å |
| 277 | R | 69 | Low | 70 | Confident | 172 Ų | 172 | 117.2 Ų | 117.2 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.1 | -52 | 171.3 | -76 | -137.7 | 177.7 | -80.6 | 7.7 | 112.2 | K273 N274 G279 G280 | K273-R277 PolarHBondContact O-N 2.88Å; N274-R277 PolarHBondContact O-N 3.34Å; N274-R277 VanDerWaalsContact O-N 3.15Å; R277-G279 PolarHBondContact O-N 3.37Å; R277-G280 PolarHBondContact O-N 3.18Å |
| 278 | R | 58.9 | Low | 67.8 | Low | 210 Ų | 210 | 117.4 Ų | 117.4 | 79% | 0.792 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -10.4 | 178.2 | -77.7 | -173 | 171.3 | -91.1 | 2.3 | 115.1 | N274 | N274-R278 PolarHBondContact O-N 3.29Š|
| 279 | G | 57.7 | Low | 65.7 | Low | 43 Ų | 43 | 123.7 Ų | 123.7 | 44% | 0.443 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107 | 18.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R275 R277 | R275-G279 PolarHBondContact O-N 2.9Å; R277-G279 PolarHBondContact O-N 3.37Å |
| 280 | G | 54 | Low | 63.9 | Low | 39 Ų | 39 | 125.7 Ų | 125.7 | 40% | 0.402 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.8 | -38.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R277 T282 | R277-G280 PolarHBondContact O-N 3.18Å; G280-T282 PolarHBondContact O-N 2.84Å |
| 281 | D | 49 | Very low | 61.9 | Low | 131 Ų | 131 | 128.9 Ų | 128.9 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | trans | -81.5 | 42.4 | -169.3 | -49.4 | -46 | 0 | 0 | 0 | 114 | ||||
| 282 | T | 51.5 | Low | 60.1 | Low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 66% | 0.656 | S | S | * | * | trans | -123.7 | 52.4 | 174.6 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | G280 | G280-T282 PolarHBondContact O-N 2.84Š| ||
| 283 | S | 52.9 | Low | 58.7 | Low | 86 Ų | 86 | 135 Ų | 135 | 60% | 0.601 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -135.1 | 146.5 | 166.9 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | T285 | S283-T285 PolarHBondContact O-N 2.9Š|
| 284 | T | 52.3 | Low | 56.9 | Low | 145 Ų | 145 | 133.6 Ų | 133.6 | 89% | 0.89 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 70.3 | -42.8 | 170.7 | 69.5 | 0 | 0 | 0 | 0 | 121.6 | ||
| 285 | T | 49.8 | Very low | 55.7 | Low | 117 Ų | 117 | 137.7 Ų | 137.7 | 72% | 0.718 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -111 | -13.2 | -167.8 | 56.5 | 0 | 0 | 0 | 0 | 117.9 | S283 K287 | S283-T285 PolarHBondContact O-N 2.9Å; T285-K287 PolarHBondContact O-N 3.04Å |
| 286 | G | 48.2 | Very low | 54.3 | Low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -17.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 287 | K | 47.1 | Very low | 53.4 | Low | 162 Ų | 162 | 139.9 Ų | 139.9 | 70% | 0.704 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -3.8 | -165 | -80.9 | -169.4 | 171.4 | -173.6 | 0 | 116.4 | T285 R291 | T285-K287 PolarHBondContact O-N 3.04Å; K287-R291 WeakPolarHBondContact O-CD 3.48Å |
| 288 | E | 48.3 | Very low | 52.3 | Low | 156 Ų | 156 | 138.8 Ų | 138.8 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -87.2 | -60.5 | -173.6 | -167.5 | 161.9 | -137.1 | 0 | 0 | 111 | E290 R291 E292 | E288-E290 PolarHBondContact O-N 3.49Å; E288-R291 PolarHBondContact O-N 3.21Å; E288-E292 PolarHBondContact O-N 3.12Å |
| 289 | R | 50.8 | Low | 52 | Low | 193 Ų | 193 | 139.1 Ų | 139.1 | 73% | 0.728 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -62.9 | -8.6 | -178.7 | -66.9 | 179.5 | 173.3 | 179.5 | -3.6 | 116.3 | ||
| 290 | E | 49.8 | Very low | 51.6 | Low | 139 Ų | 139 | 144.3 Ų | 144.3 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -86.8 | -40.7 | 173.6 | -166.7 | 168.6 | -133.3 | 0 | 0 | 110.6 | E288 E292 | E288-E290 PolarHBondContact O-N 3.49Å; E290-E292 VanDerWaalsContact C-N 3.32Å; E290-E292 PolarHBondContact O-N 2.9Å |
| 291 | R | 51.8 | Low | 51.4 | Low | 169 Ų | 169 | 151.6 Ų | 151.6 | 64% | 0.638 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -78 | -14.1 | -179.3 | -69.7 | 175 | 159.8 | -172.8 | -10.4 | 114.5 | K287 E288 R295 | K287-R291 WeakPolarHBondContact O-CD 3.48Å; E288-R291 PolarHBondContact O-N 3.21Å; R291-R295 PolarHBondContact O-NH1 3.36Å |
| 292 | E | 53.2 | Low | 50.9 | Low | 131 Ų | 131 | 152 Ų | 152 | 61% | 0.612 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -75.8 | -46.2 | 175.1 | -172.1 | 170 | -141.1 | 0 | 0 | 110.5 | E288 E290 D294 R295 | E288-E292 PolarHBondContact O-N 3.12Å; E290-E292 VanDerWaalsContact C-N 3.32Å; E290-E292 PolarHBondContact O-N 2.9Å; E292-D294 PolarHBondContact O-N 2.82Å; E292-R295 PolarHBondContact O-N 3.15Å |
| 293 | R | 56.8 | Low | 50.4 | Low | 180 Ų | 180 | 152 Ų | 152 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -71.1 | -27.1 | -171.3 | -154 | -179.5 | -55.8 | -107 | -8.9 | 114.6 | ||
| 294 | D | 51.7 | Low | 50.4 | Low | 121 Ų | 121 | 153.7 Ų | 153.7 | 65% | 0.647 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -33.4 | 173.8 | -77.6 | -26.2 | 0 | 0 | 0 | 112.2 | E292 E296 R297 | E292-D294 PolarHBondContact O-N 2.82Å; D294-E296 VanDerWaalsContact C-N 3.33Å; D294-E296 PolarHBondContact O-N 3.14Å; D294-R297 PolarHBondContact O-N 2.96Å |
| 295 | R | 58.1 | Low | 49.4 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -26.2 | -176.9 | -72.4 | -173.7 | 171.7 | 93.6 | -11.8 | 113.9 | R291 E292 R297 | R291-R295 PolarHBondContact O-NH1 3.36Å; E292-R295 PolarHBondContact O-N 3.15Å; R295-R297 VanDerWaalsContact C-N 3.26Å; R295-R297 PolarHBondContact O-N 2.84Å |
| 296 | E | 54.4 | Low | 48.5 | Very low | 151 Ų | 151 | 155 Ų | 155 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -24.4 | 177.3 | -167.1 | 171.2 | -144.4 | 0 | 0 | 112 | D294 | D294-E296 VanDerWaalsContact C-N 3.33Å; D294-E296 PolarHBondContact O-N 3.14Å |
| 297 | R | 56.7 | Low | 47.9 | Very low | 218 Ų | 218 | 156.3 Ų | 156.3 | 82% | 0.823 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -30.1 | -174.4 | -176.5 | 153.7 | -73.8 | -105.8 | -9.6 | 114.5 | D294 R295 | D294-R297 PolarHBondContact O-N 2.96Å; R295-R297 VanDerWaalsContact C-N 3.26Å; R295-R297 PolarHBondContact O-N 2.84Å |
| 298 | D | 45.9 | Very low | 47 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -12.5 | -179.1 | -95.5 | -47.4 | 0 | 0 | 0 | 114.1 | ||
| 299 | R | 52.3 | Low | 46.4 | Very low | 218 Ų | 218 | 154.1 Ų | 154.1 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -12.9 | -170.9 | -148.9 | 171.5 | -171 | 172 | 2.1 | 115 | ||
| 300 | N | 48.9 | Very low | 46.1 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -102.9 | 41.7 | -172.7 | -72.3 | 25.8 | 0 | 0 | 0 | 113.3 | ||
| 301 | K | 50.9 | Low | 45.3 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -138.8 | 51.2 | -179 | -154.8 | -165.2 | 173.6 | -172.9 | 0 | 115 | ||||
| 302 | T | 37 | Very low | 45.1 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -133.1 | 152.6 | 163 | -36.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 303 | T | 40.7 | Very low | 44.2 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -100.7 | -160.1 | -156.8 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 304 | P | 53.8 | Low | 42.8 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -127.1 | 175 | -105.4 | 38.5 | -19.2 | 0 | 0 | 0 | 115.1 | |||||
| 305 | S | 32 | Very low | 41.8 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -155.1 | 157.3 | 161.6 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 306 | D | 31.1 | Very low | 40.5 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -117 | 179.9 | -169 | -158.2 | -11.2 | 0 | 0 | 0 | 111.9 | ||||
| 307 | A | 34.2 | Very low | 39.4 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 94.2 | 142.9 | 166 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 308 | A | 28.9 | Very low | 38.2 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | 84.9 | 115.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 309 | L | 36.2 | Very low | 37.4 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -108.2 | 173.6 | 171.7 | -85.7 | 174.9 | 0 | 0 | 0 | 108.4 | ||||
| 310 | P | 43.2 | Very low | 36.3 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | cis | -155.7 | 165.4 | 38 | 44.2 | -22.1 | 0 | 0 | 0 | 122.5 | ||||
| 311 | A | 34 | Very low | 35.3 | Very low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | 76.1 | 148.5 | 139.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 312 | P | 47.9 | Very low | 34.2 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -128.6 | -177.5 | -171.9 | 44.6 | -28.9 | 0 | 0 | 0 | 115.2 | ||||
| 313 | I | 33.8 | Very low | 33.8 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | trans | -143.6 | 97.6 | 146.8 | 26 | 172 | 0 | 0 | 0 | 111.6 | ||||
| 314 | D | 27.9 | Very low | 33.2 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 37.8 | 156.7 | 140.7 | -111.3 | -56 | 0 | 0 | 0 | 127.3 | ||||
| 315 | T | 30.9 | Very low | 31.9 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -17.7 | 145.4 | 165.5 | 41.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 316 | S | 29.3 | Very low | 31.6 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | 100.6 | 144.7 | 30.7 | -173.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 317 | L | 31.1 | Very low | 31.5 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | 93.1 | 124.4 | 159.2 | -138.1 | 78.8 | 0 | 0 | 0 | 119 | ||||
| 318 | V | 32.1 | Very low | 31.1 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 29.2 | 142.4 | 154.7 | -57.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 319 | K | 29 | Very low | 31.6 | Very low | 169 Ų | 169 | 136 Ų | 136 | 74% | 0.735 | 75% | 0.752 | S | S | * | * | -176.1 | 136.4 | 58.2 | 179.5 | 164.7 | -179.9 | -171.8 | 0 | 113.5 | |||||
| 320 | E | 28.9 | Very low | 31.1 | Very low | 151 Ų | 151 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 24.8 | 124.4 | 137.7 | -161.5 | 176.4 | -128 | 0 | 0 | 120.1 | ||||
| 321 | T | 27.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | 159.7 | 153.9 | 129.8 | -67.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 322 | S | 27.4 | Very low | 30.4 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -50.2 | 152.1 | 176.8 | -65.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 323 | L | 29.9 | Very low | 29.6 | Very low | 147 Ų | 147 | 138 Ų | 138 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 74.5 | 113.1 | 134.8 | -70.7 | 168.2 | 0 | 0 | 0 | 123.5 | ||||
| 324 | Q | 27.8 | Very low | 29.4 | Very low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | 87 | 160.2 | 116.9 | -158.4 | 165.5 | -1.4 | 0 | 0 | 120.7 | |||||
| 325 | F | 26.5 | Very low | 29.3 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 77% | 0.772 | 72% | 0.724 | S | S | * | * | trans | 74.1 | 141.2 | -175.1 | -72.8 | -98.3 | 0 | 0 | 0 | 115.7 | ||||
| 326 | D | 25.5 | Very low | 29.1 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 66% | 0.658 | 73% | 0.73 | S | S | * | * | cis | -165.7 | 175.3 | -22.7 | -149.6 | -15.2 | 0 | 0 | 0 | 111.3 | ||||
| 327 | L | 30 | Very low | 29.1 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | 64.6 | 101.3 | 155.3 | -75.4 | 149.5 | 0 | 0 | 0 | 121.2 | ||||
| 328 | E | 25.9 | Very low | 28.8 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | -34.7 | 153.8 | 142.6 | -89.4 | -70.3 | 144.7 | 0 | 0 | 115.5 | S330 | E328-S330 PolarHBondContact OE2-N 2.99Š| ||
| 329 | P | 38.1 | Very low | 28.7 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | -153.3 | 130.5 | 80.8 | 37.9 | -16.2 | 0 | 0 | 0 | 120.4 | |||||
| 330 | S | 26.3 | Very low | 29.7 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 58% | 0.58 | 72% | 0.72 | S | S | * | * | 76.2 | 138.1 | 115.3 | -60.2 | 0 | 0 | 0 | 0 | 124.6 | E328 | E328-S330 PolarHBondContact OE2-N 2.99Š| |||
| 331 | I | 31.8 | Very low | 29.7 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | trans | 75.3 | 133.8 | 134.1 | -75.5 | 170.9 | 0 | 0 | 0 | 118.4 | ||||
| 332 | L | 31.6 | Very low | 29.7 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | cis | -152.4 | -173 | -6.9 | -108 | 172.8 | 0 | 0 | 0 | 107.3 | ||||
| 333 | E | 29.5 | Very low | 29.8 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | cis | -149.3 | 179.7 | 7.4 | -120.5 | -74.9 | 87.7 | 0 | 0 | 105.1 | ||||
| 334 | G | 29.6 | Very low | 29.9 | Very low | 50 Ų | 50 | 139 Ų | 139 | 52% | 0.515 | 74% | 0.739 | S | S | . | * | cis | 175.9 | 156 | 3.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 335 | K | 25.6 | Very low | 30 | Very low | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | 70.7 | 119.6 | -177.5 | -58.6 | -175.7 | 177.6 | -178.9 | 0 | 117 | ||||
| 336 | L | 27.9 | Very low | 30.1 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | cis | 87.6 | 130.2 | 31.9 | -167.8 | 165.3 | 0 | 0 | 0 | 112.5 | ||||
| 337 | E | 28.7 | Very low | 30.7 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | cis | -171.8 | 164 | -18.5 | -117.5 | -70.8 | 108.3 | 0 | 0 | 107.3 | ||||
| 338 | E | 25.1 | Very low | 30.8 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | 172.3 | 159.3 | 123.5 | -164.5 | 158.6 | 130.9 | 0 | 0 | 110.2 | |||||
| 339 | S | 30.3 | Very low | 30.8 | Very low | 88 Ų | 88 | 138 Ų | 138 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | trans | -144.2 | -159.5 | -156 | -141.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 340 | P | 50.3 | Low | 30.5 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | cis | -138.4 | -171.7 | -12.8 | 28.2 | -3.4 | 0 | 0 | 0 | 115.6 | ||||
| 341 | R | 27.7 | Very low | 30.5 | Very low | 231 Ų | 231 | 140.5 Ų | 140.5 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | 93.7 | 135.4 | 156.1 | -55.6 | 175 | -175 | 160.7 | 3.8 | 117.4 | ||||
| 342 | S | 27.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | cis | -157.8 | 161.7 | -13.7 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 343 | S | 29.8 | Very low | 30 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -111.3 | 149.7 | -161.9 | 37.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 344 | V | 31.5 | Very low | 30.1 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | 54 | 141.7 | 139.9 | -177.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 345 | M | 31.4 | Very low | 30.2 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | trans | -72.8 | 141.4 | 177.6 | -65.9 | -83.6 | 155 | 0 | 0 | 114.1 | ||||
| 346 | L | 28.2 | Very low | 30.3 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -141.2 | 153.2 | 148.8 | -77.6 | -177.7 | 0 | 0 | 0 | 110.6 | ||||
| 347 | T | 37.9 | Very low | 30.3 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -98.4 | 136.9 | -178.5 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 348 | P | 32 | Very low | 30.2 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -88.4 | 171.2 | 165.3 | 35.7 | -32.9 | 0 | 0 | 0 | 112.8 | ||||
| 349 | V | 25.3 | Very low | 30.2 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -133.9 | 167.9 | -171.7 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 350 | S | 32.3 | Very low | 30 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | trans | 70.6 | 155.8 | 170.4 | -75.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 351 | E | 27.2 | Very low | 28.8 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | -155.6 | -172.1 | -18.1 | -113.5 | 163.6 | 122.4 | 0 | 0 | 106.6 | ||||
| 352 | V | 26.4 | Very low | 29.9 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | cis | -161.7 | 156.5 | 28.8 | -140.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 353 | S | 25.6 | Very low | 30.4 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | 63.9 | 143.7 | 136 | -156.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 354 | S | 32.4 | Very low | 30.4 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | cis | -172.7 | -173.4 | -19 | -85 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 355 | V | 30.2 | Very low | 30 | Very low | 135 Ų | 135 | 133 Ų | 133 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 84.1 | 125.8 | 158.3 | -174 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 356 | E | 29.4 | Very low | 30 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -165.3 | -169.9 | -27.8 | -138.1 | -169.5 | 132.9 | 0 | 0 | 110.5 | ||||
| 357 | L | 27.8 | Very low | 30.4 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 71.2 | 100 | 171.1 | -105.6 | 57.1 | 0 | 0 | 0 | 116.3 | ||||
| 358 | V | 26.4 | Very low | 29.8 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | 83.2 | 134.7 | 52.6 | 168.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 359 | T | 24.1 | Very low | 29.7 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -166.4 | 155.5 | -22.3 | -80.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 360 | L | 27.3 | Very low | 29.9 | Very low | 160 Ų | 160 | 126 Ų | 126 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | 150 | 127.2 | 136 | -78.8 | 169 | 0 | 0 | 0 | 110.6 | ||||
| 361 | S | 24 | Very low | 29.6 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -118.1 | -155.2 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 362 | P | 51.1 | Low | 29.7 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | -105.4 | -166.7 | -120.4 | 38.5 | -20.3 | 0 | 0 | 0 | 112.5 | |||||
| 363 | P | 39 | Very low | 29.8 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | -149.7 | -174.6 | 88.1 | 40.2 | -21.7 | 0 | 0 | 0 | 115.7 | |||||
| 364 | Q | 28.6 | Very low | 29.7 | Very low | 174 Ų | 174 | 128 Ų | 128 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -70.1 | 148 | 167.2 | -61 | -89.1 | 15 | 0 | 0 | 111.8 | ||||
| 365 | V | 23.7 | Very low | 29.4 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | 174.2 | 155.5 | 118.6 | -84.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 366 | S | 30.2 | Very low | 29.3 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -119 | 155.6 | 156 | -48 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 367 | P | 38.2 | Very low | 29.1 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | -157.9 | 177.4 | 88.1 | 41.6 | -22.7 | 0 | 0 | 0 | 117 | |||||
| 368 | S | 23.7 | Very low | 29 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 63.7 | 157.2 | 159 | -64.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 369 | S | 31.1 | Very low | 29 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | cis | -157.7 | 174.3 | -0.1 | -112 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 370 | Q | 28.8 | Very low | 29.2 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | cis | -151.2 | 154.6 | -1.7 | -117.6 | 144.4 | -110.2 | 0 | 0 | 106.5 | ||||
| 371 | L | 26.3 | Very low | 29.9 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | 47.8 | 140.9 | 90.4 | -54.8 | 177.8 | 0 | 0 | 0 | 116.3 | |||||
| 372 | S | 29.5 | Very low | 30 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | cis | -157.6 | 149.6 | 16.9 | -7.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 373 | E | 28.2 | Very low | 28.8 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | 65.8 | 158.7 | 128.6 | -63.3 | 175.6 | 107.9 | 0 | 0 | 121.6 | |||||
| 374 | T | 24.4 | Very low | 28.1 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | cis | -161.7 | 179 | -8.3 | 18.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 375 | A | 25.1 | Very low | 28 | Very low | 86 Ų | 86 | 123.4 Ų | 123.4 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 84.9 | 86.4 | 147.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 376 | S | 28.7 | Very low | 28 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | 38.9 | 149.7 | 107.4 | -40.6 | 0 | 0 | 0 | 0 | 126 | |||||
| 377 | D | 24.7 | Very low | 27.9 | Very low | 149 Ų | 149 | 121 Ų | 121 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 92.6 | 140.2 | 138.6 | -63.6 | -29.8 | 0 | 0 | 0 | 124.8 | ||||
| 378 | T | 25.7 | Very low | 27.3 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | 71.3 | 137 | 144.8 | -69.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 379 | S | 27 | Very low | 28 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | cis | -164.1 | 179.9 | -13.8 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 380 | T | 27.9 | Very low | 27.8 | Very low | 120 Ų | 120 | 125 Ų | 125 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 173.3 | 162 | 44.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 381 | P | 42 | Very low | 27.5 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | -149.3 | 150 | 109.7 | 38.5 | -22.5 | 0 | 0 | 0 | 118.4 | |||||
| 382 | E | 26.9 | Very low | 27.5 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 43.4 | 129.1 | 134.3 | -54.4 | -54.8 | 89.4 | 0 | 0 | 126 | ||||
| 383 | G | 24.6 | Very low | 27.5 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | 104.9 | 128.8 | 121.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 384 | G | 24.7 | Very low | 27.4 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 152.3 | 40.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 385 | E | 26.3 | Very low | 27.4 | Very low | 197 Ų | 197 | 124.4 Ų | 124.4 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | 50 | 148.2 | 152 | -57.7 | -159.9 | 95.4 | 0 | 0 | 126.3 | ||||
| 386 | A | 24.9 | Very low | 27.5 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 95.8 | 136.8 | 141.6 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 387 | A | 27 | Very low | 27.4 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | 83.7 | 89.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 388 | E | 25.1 | Very low | 27.7 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -63.4 | 175.2 | 135.9 | -80.3 | -81.4 | 147 | 0 | 0 | 111.1 | ||||
| 389 | P | 38.8 | Very low | 27.6 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | cis | -141.2 | -158.2 | 15.1 | 36.1 | -11.6 | 0 | 0 | 0 | 116 | ||||
| 390 | T | 26.6 | Very low | 27.6 | Very low | 122 Ų | 122 | 128 Ų | 128 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 91.1 | 109.1 | 166 | 67.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 391 | E | 24.2 | Very low | 27.6 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | cis | 81.7 | 132 | 33.3 | -73.6 | -87.5 | 81.7 | 0 | 0 | 117.6 | ||||
| 392 | A | 24.4 | Very low | 27.1 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 63% | 0.628 | 80% | 0.8 | S | S | * | * | trans | 52.1 | 125.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 393 | T | 29.5 | Very low | 27.1 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | -176.9 | 166.7 | 97 | 28.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 394 | E | 26.4 | Very low | 27.4 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -122.1 | 143.5 | -167.9 | -57.6 | 180 | 99.3 | 0 | 0 | 114.7 | ||||
| 395 | A | 25.4 | Very low | 27.6 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | 62.3 | -171 | 136.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 396 | M | 26.3 | Very low | 27.7 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | 47.2 | 95.9 | 176.5 | 30.7 | -86.9 | 172.1 | 0 | 0 | 122.5 | ||||
| 397 | C | 26.4 | Very low | 27.9 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | 10.7 | 138 | 116.6 | -75.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 398 | L | 31.7 | Very low | 28.8 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | 78.4 | 110.9 | 136.8 | -67.8 | 172.5 | 0 | 0 | 0 | 122.5 | ||||
| 399 | T | 24.4 | Very low | 29 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | trans | -157.3 | 161.9 | 135.4 | 32.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 400 | G | 27.1 | Very low | 28.7 | Very low | 64 Ų | 64 | 127.7 Ų | 127.7 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | cis | 153.3 | 113.9 | -8.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 401 | E | 27.7 | Very low | 29 | Very low | 190 Ų | 190 | 127.7 Ų | 127.7 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | 63.9 | 166.4 | 166.6 | -66.6 | -157.2 | 66.1 | 0 | 0 | 117.8 | ||||
| 402 | S | 30.9 | Very low | 29.7 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | -159.7 | 157.9 | -27.4 | -96.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 403 | G | 27.3 | Very low | 29.8 | Very low | 76 Ų | 76 | 125.2 Ų | 125.2 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | 177 | 110.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 404 | N | 29.8 | Very low | 30.1 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -103.8 | 155.9 | -178.1 | -64.3 | -36.4 | 0 | 0 | 0 | 112.6 | ||||
| 405 | A | 29.1 | Very low | 30.6 | Very low | 100 Ų | 100 | 124 Ų | 124 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -168 | 152.9 | 141.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 406 | A | 28.9 | Very low | 31 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | 68.7 | 95.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 407 | D | 29.2 | Very low | 31.3 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | trans | -105.9 | 164.1 | 145.4 | -176.2 | 28.8 | 0 | 0 | 0 | 107.7 | S409 | D407-S409 PolarHBondContact OD1-N 3.02Å; D407-S409 VanDerWaalsContact OD1-N 3.14Å; D407-S409 PolarHBondContact OD2-N 3.44Å; D407-S409 VanDerWaalsContact OD2-N 3.14Å | ||
| 408 | P | 45.8 | Very low | 31.7 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | -148.5 | 117.1 | 106.6 | 34.7 | -16.2 | 0 | 0 | 0 | 116.9 | |||||
| 409 | S | 30.2 | Very low | 31.9 | Very low | 81 Ų | 81 | 125 Ų | 125 | 57% | 0.566 | 78% | 0.783 | S | S | * | * | trans | -1.1 | 139.2 | 137.1 | -174.7 | 0 | 0 | 0 | 0 | 120.6 | D407 | D407-S409 PolarHBondContact OD1-N 3.02Å; D407-S409 VanDerWaalsContact OD1-N 3.14Å; D407-S409 PolarHBondContact OD2-N 3.44Å; D407-S409 VanDerWaalsContact OD2-N 3.14Å | ||
| 410 | I | 31.9 | Very low | 32.7 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | -163 | 152.2 | 126.1 | -101.5 | 157.8 | 0 | 0 | 0 | 110.6 | |||||
| 411 | T | 31.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -141.5 | -179.8 | 179.6 | 63.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 412 | P | 39.6 | Very low | 33.9 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | cis | -119.9 | 178.7 | -25.8 | 38.8 | -25.8 | 0 | 0 | 0 | 112.2 | ||||
| 413 | G | 27.4 | Very low | 34.6 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | -177.6 | 100.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 414 | E | 35.5 | Very low | 35.8 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -82.9 | 141.1 | 161.8 | -75.7 | -75.6 | 135.6 | 0 | 0 | 109.1 | ||||
| 415 | P | 37 | Very low | 36.9 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | -138.7 | 148.1 | 98.4 | 37.7 | -26.7 | 0 | 0 | 0 | 114.8 | |||||
| 416 | C | 32.7 | Very low | 38.2 | Very low | 105 Ų | 105 | 133 Ų | 133 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | trans | -64.8 | 135.9 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 417 | M | 32.1 | Very low | 39.8 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | trans | -139.4 | 144.7 | 159.7 | -76.6 | -65.5 | 157.1 | 0 | 0 | 109.8 | ||||
| 418 | D | 36.3 | Very low | 41.8 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | trans | -83.8 | 131.1 | -178.3 | -173.2 | -90.6 | 0 | 0 | 0 | 111.9 | ||||
| 419 | D | 34.6 | Very low | 43 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | trans | -154.6 | 104.6 | 159.3 | -162.2 | -24.8 | 0 | 0 | 0 | 110.7 | K421 | D419-K421 IonicContact OD1-NZ 3.53Å; D419-K421 PolarHBondContact OD1-NZ 3.38Å; D419-K421 IonicContact OD2-NZ 2.65Å; D419-K421 PolarHBondContact OD2-NZ 3Å | ||
| 420 | N | 41.7 | Very low | 45.8 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -87.7 | 108.4 | 177.8 | -171.2 | -25.1 | 0 | 0 | 0 | 111.2 | ||||
| 421 | K | 38.8 | Very low | 48.5 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | trans | -134 | 118.7 | 176.4 | -87.1 | -179.1 | -174.1 | 77.1 | 0 | 114.2 | D419 P423 | D419-K421 IonicContact OD1-NZ 3.53Å; D419-K421 PolarHBondContact OD1-NZ 3.38Å; D419-K421 IonicContact OD2-NZ 2.65Å; D419-K421 PolarHBondContact OD2-NZ 3Å; K421-P423 WeakPolarHBondContact O-CD 3.28Å | ||
| 422 | D | 40.5 | Very low | 51.4 | Low | 140 Ų | 140 | 122.6 Ų | 122.6 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | trans | -56.2 | 122.3 | 172.9 | -88.3 | -74 | 0 | 0 | 0 | 113.5 | K424 | D422-K424 PolarHBondContact O-N 2.83Š| ||
| 423 | P | 46.8 | Very low | 53.6 | Low | 93 Ų | 93 | 120.9 Ų | 120.9 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | trans | -70.6 | 105.3 | 168.7 | 28 | -32.4 | 0 | 0 | 0 | 109.8 | K421 K425 | K421-P423 WeakPolarHBondContact O-CD 3.28Å; P423-K425 VanDerWaalsContact C-N 3.31Å; P423-K425 PolarHBondContact O-N 3.24Å | ||
| 424 | K | 51.2 | Low | 56.4 | Low | 207 Ų | 207 | 119.9 Ų | 119.9 | 90% | 0.9 | 64% | 0.635 | S | S | * | * | trans | -60.4 | 90.6 | 169.6 | -77.1 | 177.4 | 178.5 | 169.8 | 0 | 109.8 | D422 S426 | D422-K424 PolarHBondContact O-N 2.83Å; K424-S426 PolarHBondContact O-N 2.98Å | ||
| 425 | K | 53.6 | Low | 58.8 | Low | 172 Ų | 172 | 112.2 Ų | 112.2 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | trans | -58.4 | 89.3 | -174.8 | -76.2 | 144.2 | -175.5 | 159.8 | 0 | 112.6 | P423 K427 | P423-K425 VanDerWaalsContact C-N 3.31Å; P423-K425 PolarHBondContact O-N 3.24Å; K425-K427 PolarHBondContact O-N 3.15Å | ||
| 426 | S | 56.1 | Low | 61.2 | Low | 111 Ų | 111 | 115.9 Ų | 115.9 | 78% | 0.776 | 61% | 0.605 | S | S | * | * | trans | -56.9 | 117.1 | 159.2 | 50.5 | 0 | 0 | 0 | 0 | 108 | K424 A428 | K424-S426 PolarHBondContact O-N 2.98Å; S426-A428 VanDerWaalsContact C-N 3.31Å; S426-A428 PolarHBondContact O-N 3.11Å | ||
| 427 | K | 64 | Low | 63.9 | Low | 147 Ų | 147 | 113.6 Ų | 113.6 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | trans | -73.6 | 85.8 | -172.9 | -71.9 | 168.8 | 176.6 | 174.6 | 0 | 110 | K425 H429 | K425-K427 PolarHBondContact O-N 3.15Å; K427-H429 PolarHBondContact O-N 2.87Å; K427-H429 PolarHBondContact O-ND1 3.13Å | ||
| 428 | A | 69.2 | Low | 66.6 | Low | 73 Ų | 73 | 110 Ų | 110 | 60% | 0.603 | 58% | 0.576 | S | S | * | * | trans | -57.1 | 106.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S426 L430 | S426-A428 VanDerWaalsContact C-N 3.31Å; S426-A428 PolarHBondContact O-N 3.11Å; A428-L430 PolarHBondContact O-N 2.94Å; A428-L430 VanDerWaalsContact O-N 3.15Å | ||
| 429 | H | 71.5 | Confident | 69.3 | Low | 111 Ų | 111 | 103.8 Ų | 103.8 | 51% | 0.514 | 54% | 0.544 | S | S | . | . | trans | -76.8 | 104.2 | 178 | -74.7 | 66.6 | 0 | 0 | 0 | 108.1 | K427 V439 N440 | K427-H429 PolarHBondContact O-N 2.87Å; K427-H429 PolarHBondContact O-ND1 3.13Å; H429-V439 CarbonylContact C-O 3.56Å; H429-V439 WeakPolarHBondContact CA-O 3.2Å; H429-N440 PolarHBondContact CE1-ND2 3.45Å; H429-N440 PolarHBondContact NE2-ND2 3.43Å | ||
| 430 | L | 88.8 | Confident | 71.9 | Confident | 57 Ų | 57 | 101.4 Ų | 101.4 | 30% | 0.298 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 135.4 | -178.2 | -54.5 | 175.8 | 0 | 0 | 0 | 109 | A428 T438 V439 T442 L445 | A428-L430 PolarHBondContact O-N 2.94Å; A428-L430 VanDerWaalsContact O-N 3.15Å; L430-T438 WeakPolarHBondContact O-CA 3.37Å; L430-V439 HydrophobicContact CB-CG2 4.41Å; L430-V439 PolarHBondContact N-O 2.87Å; L430-V439 WeakPolarHBondContact O-CG2 3.44Å; L430-V439 PolarHBondContact O-N 3.05Å; L430-T442 HydrophobicContact CD1-CG2 3.61Å; L430-L445 HydrophobicContact CB-CB 4.45Å; L430-L445 HydrophobicContact CB-CD2 3.78Å; L430-L445 HydrophobicContact CD1-CD2 4.41Å |
| 431 | H | 88.9 | Confident | 74.3 | Confident | 124 Ų | 124 | 96.8 Ų | 96.8 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137.8 | -176.4 | 65.8 | -89.6 | 0 | 0 | 0 | 110.5 | P433 T438 | H431-P433 WeakPolarHBondContact O-CD 3.49Å; H431-T438 HydrophobicContact CB-CG2 4.1Å |
| 432 | C | 92.5 | Very high | 76.8 | Confident | 1 Ų | 1 | 94.3 Ų | 94.3 | 1% | 0.007 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 111.5 | 165.9 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | V434 C435 K436 V437 L445 H448 H454 | C432-V434 PolarHBondContact O-N 2.96Å; C432-C435 HydrophobicContact CB-CB 4.48Å; C432-C435 PolarHBondContact SG-N 3.04Å; C432-K436 WeakPolarHBondContact O-CA 3.45Å; C432-K436 PolarHBondContact O-N 3.03Å; C432-V437 PolarHBondContact N-O 3.16Å; C432-V437 PolarHBondContact O-N 3.08Å; C432-L445 HydrophobicContact CB-CD1 3.84Å; C432-H448 PolarHBondContact SG-NE2 3.04Å; C432-H454 PolarHBondContact SG-CE1 3.23Å; C432-H454 PolarHBondContact SG-ND1 3.25Å |
| 433 | P | 86.1 | Confident | 79.2 | Confident | 94 Ų | 94 | 91.1 Ų | 91.1 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -37.4 | -179.6 | 24.9 | -33 | 0 | 0 | 0 | 112.3 | H431 | H431-P433 WeakPolarHBondContact O-CD 3.49Š|
| 434 | V | 85.9 | Confident | 81.2 | Confident | 54 Ų | 54 | 91.4 Ų | 91.4 | 33% | 0.327 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -48.1 | -177.6 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | C432 M457 L458 | C432-V434 PolarHBondContact O-N 2.96Å; V434-M457 HydrophobicContact CG1-CB 3.84Å; V434-M457 WeakPolarHBondContact O-CE 3.48Å; V434-L458 HydrophobicContact CG1-CD2 4.46Å; V434-L458 HydrophobicContact CG1-CG 4.46Å; V434-L458 HydrophobicContact CG2-CD2 3.73Å; V434-L458 HydrophobicContact CG2-CG 4.34Å |
| 435 | C | 87.4 | Confident | 83.2 | Confident | 16 Ų | 16 | 83 Ų | 83 | 11% | 0.108 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -7.1 | -177.6 | -70.8 | 0 | 0 | 0 | 0 | 114.1 | C432 V437 H448 | C432-C435 HydrophobicContact CB-CB 4.48Å; C432-C435 PolarHBondContact SG-N 3.04Å; C435-V437 VanDerWaalsContact C-N 3.26Å; C435-V437 HydrophobicContact CB-CG2 3.97Å; C435-V437 PolarHBondContact O-N 3.22Å; C435-H448 VanDerWaalsContact CB-NE2 3.32Å; C435-H448 WeakPolarHBondContact CB-NE2 3.32Å |
| 436 | K | 86.9 | Confident | 85 | Confident | 192 Ų | 192 | 81.4 Ų | 81.4 | 84% | 0.835 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 40 | -172.3 | -56.6 | -172.1 | -179.9 | -174 | 0 | 113.5 | C432 | C432-K436 WeakPolarHBondContact O-CA 3.45Å; C432-K436 PolarHBondContact O-N 3.03Å |
| 437 | V | 88.4 | Confident | 86.8 | Confident | 56 Ų | 56 | 79.1 Ų | 79.1 | 34% | 0.339 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.9 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | C432 C435 V439 | C432-V437 PolarHBondContact N-O 3.16Å; C432-V437 PolarHBondContact O-N 3.08Å; C435-V437 VanDerWaalsContact C-N 3.26Å; C435-V437 HydrophobicContact CB-CG2 3.97Å; C435-V437 PolarHBondContact O-N 3.22Å; V437-V439 HydrophobicContact CG1-CG1 4.15Å |
| 438 | T | 89.4 | Confident | 88.2 | Confident | 98 Ų | 98 | 73.9 Ų | 73.9 | 60% | 0.601 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 139.5 | 170.4 | 50.8 | 0 | 0 | 0 | 0 | 111 | L430 H431 | L430-T438 WeakPolarHBondContact O-CA 3.37Å; H431-T438 HydrophobicContact CB-CG2 4.1Å |
| 439 | V | 92.6 | Very high | 89.3 | Confident | 22 Ų | 22 | 73.5 Ų | 73.5 | 13% | 0.133 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 157.5 | -179.6 | -67.5 | 0 | 0 | 0 | 0 | 111.2 | H429 L430 V437 Q444 L445 | H429-V439 CarbonylContact C-O 3.56Å; H429-V439 WeakPolarHBondContact CA-O 3.2Å; L430-V439 HydrophobicContact CB-CG2 4.41Å; L430-V439 PolarHBondContact N-O 2.87Å; L430-V439 WeakPolarHBondContact O-CG2 3.44Å; L430-V439 PolarHBondContact O-N 3.05Å; V437-V439 HydrophobicContact CG1-CG1 4.15Å; V439-Q444 HydrophobicContact CB-CB 3.8Å; V439-Q444 HydrophobicContact CG1-CB 4.22Å; V439-Q444 HydrophobicContact CG2-CB 4.16Å; V439-L445 HydrophobicContact CG2-CB 3.65Å; V439-L445 HydrophobicContact CG2-CD1 4.24Å; V439-L445 HydrophobicContact CG2-CG 4.48Å |
| 440 | N | 89.9 | Confident | 90.3 | Very high | 65 Ų | 65 | 72.6 Ų | 72.6 | 35% | 0.348 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -92.5 | -1 | -167.8 | -160.9 | -107.1 | 0 | 0 | 0 | 113.7 | H429 | H429-N440 PolarHBondContact CE1-ND2 3.45Å; H429-N440 PolarHBondContact NE2-ND2 3.43Å |
| 441 | S | 91.3 | Very high | 90.5 | Very high | 45 Ų | 45 | 71 Ų | 71 | 32% | 0.315 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -154.6 | 149.5 | -173 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | S443 Q444 L445 | S441-S443 PolarHBondContact O-N 3.2Å; S441-S443 PolarHBondContact OG-N 2.83Å; S441-Q444 WeakPolarHBondContact O-CB 3.48Å; S441-Q444 PolarHBondContact O-N 3.31Å; S441-Q444 VanDerWaalsContact O-N 3.11Å; S441-L445 PolarHBondContact O-N 3.4Å; S441-L445 VanDerWaalsContact O-N 3.13Å |
| 442 | T | 91.1 | Very high | 90.5 | Very high | 102 Ų | 102 | 70.9 Ų | 70.9 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -50.6 | -51.2 | 171.3 | 45.2 | 0 | 0 | 0 | 0 | 112.1 | L430 Q444 L445 E446 | L430-T442 HydrophobicContact CD1-CG2 3.61Å; T442-Q444 PolarHBondContact O-N 3.15Å; T442-L445 WeakPolarHBondContact O-CA 3.42Å; T442-L445 WeakPolarHBondContact O-CB 3.48Å; T442-L445 PolarHBondContact O-N 3.26Å; T442-E446 PolarHBondContact O-N 2.79Å |
| 443 | S | 91.1 | Very high | 90.2 | Very high | 74 Ų | 74 | 76.8 Ų | 76.8 | 52% | 0.517 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.3 | -30.8 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 112.9 | S441 A447 | S441-S443 PolarHBondContact O-N 3.2Å; S441-S443 PolarHBondContact OG-N 2.83Å; S443-A447 WeakPolarHBondContact O-CB 3.36Å; S443-A447 PolarHBondContact O-N 3Å |
| 444 | Q | 90.3 | Very high | 90.4 | Very high | 99 Ų | 99 | 72.8 Ų | 72.8 | 46% | 0.463 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.9 | -31.8 | 173.5 | -67.3 | 175.5 | 0.3 | 0 | 0 | 112.3 | V439 S441 T442 H448 | V439-Q444 HydrophobicContact CB-CB 3.8Å; V439-Q444 HydrophobicContact CG1-CB 4.22Å; V439-Q444 HydrophobicContact CG2-CB 4.16Å; S441-Q444 WeakPolarHBondContact O-CB 3.48Å; S441-Q444 PolarHBondContact O-N 3.31Å; S441-Q444 VanDerWaalsContact O-N 3.11Å; T442-Q444 PolarHBondContact O-N 3.15Å; Q444-H448 VanDerWaalsContact O-CB 3.28Å; Q444-H448 WeakPolarHBondContact O-CB 3.38Å; Q444-H448 PolarHBondContact O-N 3.28Å |
| 445 | L | 92.4 | Very high | 90.6 | Very high | 31 Ų | 31 | 75.8 Ų | 75.8 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -74.9 | -39.9 | 174.6 | -175.5 | 57.7 | 0 | 0 | 0 | 110.9 | L430 C432 V439 S441 T442 H448 N449 | L430-L445 HydrophobicContact CB-CB 4.45Å; L430-L445 HydrophobicContact CB-CD2 3.78Å; L430-L445 HydrophobicContact CD1-CD2 4.41Å; C432-L445 HydrophobicContact CB-CD1 3.84Å; V439-L445 HydrophobicContact CG2-CB 3.65Å; V439-L445 HydrophobicContact CG2-CD1 4.24Å; V439-L445 HydrophobicContact CG2-CG 4.48Å; S441-L445 PolarHBondContact O-N 3.4Å; S441-L445 VanDerWaalsContact O-N 3.13Å; T442-L445 WeakPolarHBondContact O-CA 3.42Å; T442-L445 WeakPolarHBondContact O-CB 3.48Å; T442-L445 PolarHBondContact O-N 3.26Å; L445-H448 CarbonylContact O-C 3.59Å; L445-H448 WeakPolarHBondContact O-CB 3.37Å; L445-H448 PolarHBondContact O-N 3.13Å; L445-H448 VanDerWaalsContact O-N 3.17Å; L445-N449 WeakPolarHBondContact CD1-OD1 3.39Å; L445-N449 WeakPolarHBondContact O-CB 3.32Å; L445-N449 PolarHBondContact O-N 2.93Å; L445-N449 PolarHBondContact O-OD1 3.48Å |
| 446 | E | 90.4 | Very high | 90.7 | Very high | 137 Ų | 137 | 78.9 Ų | 78.9 | 64% | 0.64 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.5 | -44.8 | 175.3 | -171.4 | 178.2 | -165.3 | 0 | 0 | 111.9 | T442 H448 N449 S450 | T442-E446 PolarHBondContact O-N 2.79Å; E446-H448 VanDerWaalsContact C-N 3.27Å; E446-H448 PolarHBondContact O-N 3.4Å; E446-N449 PolarHBondContact O-N 3.4Å; E446-S450 WeakPolarHBondContact O-CB 3.07Å; E446-S450 PolarHBondContact O-N 3.3Å; E446-S450 PolarHBondContact O-OG 3.17Å |
| 447 | A | 94 | Very high | 90.6 | Very high | 63 Ų | 63 | 72.8 Ų | 72.8 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.5 | -27.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | S443 S450 G451 | S443-A447 WeakPolarHBondContact O-CB 3.36Å; S443-A447 PolarHBondContact O-N 3Å; A447-S450 WeakPolarHBondContact CA-OG 3.43Å; A447-G451 PolarHBondContact O-N 3.4Å |
| 448 | H | 93.8 | Very high | 90.3 | Very high | 38 Ų | 38 | 75.1 Ų | 75.1 | 18% | 0.176 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -72.5 | -48.6 | 171.3 | 176.5 | 85.7 | 0 | 0 | 0 | 111.2 | C432 C435 Q444 L445 E446 G451 H454 | C432-H448 PolarHBondContact SG-NE2 3.04Å; C435-H448 VanDerWaalsContact CB-NE2 3.32Å; C435-H448 WeakPolarHBondContact CB-NE2 3.32Å; Q444-H448 VanDerWaalsContact O-CB 3.28Å; Q444-H448 WeakPolarHBondContact O-CB 3.38Å; Q444-H448 PolarHBondContact O-N 3.28Å; L445-H448 CarbonylContact O-C 3.59Å; L445-H448 WeakPolarHBondContact O-CB 3.37Å; L445-H448 PolarHBondContact O-N 3.13Å; L445-H448 VanDerWaalsContact O-N 3.17Å; E446-H448 VanDerWaalsContact C-N 3.27Å; E446-H448 PolarHBondContact O-N 3.4Å; H448-G451 WeakPolarHBondContact O-CA 3.41Å; H448-G451 PolarHBondContact O-N 3.14Å; H448-H454 AromaticContact CD2-CG 4Å; H448-H454 AromaticContact CD2-ND1 3.28Å; H448-H454 PolarHBondContact CD2-ND1 3.14Å; H448-H454 VanDerWaalsContact CD2-ND1 3.28Å; H448-H454 AromaticContact NE2-CG 3.95Å; H448-H454 AromaticContact NE2-ND1 3.2Å; H448-H454 PolarHBondContact NE2-ND1 2.72Å; H448-H454 VanDerWaalsContact NE2-ND1 3.2Å; H448-H454 WeakPolarHBondContact O-CB 3.21Å |
| 449 | N | 92.2 | Very high | 90 | Very high | 65 Ų | 65 | 74.6 Ų | 74.6 | 35% | 0.348 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | -175.5 | -68.1 | -4.9 | 0 | 0 | 0 | 112.2 | L445 E446 G451 H454 | L445-N449 WeakPolarHBondContact CD1-OD1 3.39Å; L445-N449 WeakPolarHBondContact O-CB 3.32Å; L445-N449 PolarHBondContact O-N 2.93Å; L445-N449 PolarHBondContact O-OD1 3.48Å; E446-N449 PolarHBondContact O-N 3.4Å; N449-G451 PolarHBondContact O-N 3.35Å; N449-H454 PolarHBondContact O-CD2 3.32Å; N449-H454 PolarHBondContact OD1-CE1 3.47Å |
| 450 | S | 92.6 | Very high | 88.9 | Confident | 92 Ų | 92 | 76.6 Ų | 76.6 | 64% | 0.643 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -10.9 | 171 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | E446 A447 | E446-S450 WeakPolarHBondContact O-CB 3.07Å; E446-S450 PolarHBondContact O-N 3.3Å; E446-S450 PolarHBondContact O-OG 3.17Å; A447-S450 WeakPolarHBondContact CA-OG 3.43Å |
| 451 | G | 92.6 | Very high | 87.6 | Confident | 23 Ų | 23 | 79.5 Ų | 79.5 | 24% | 0.237 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -69.6 | 137.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A447 H448 N449 K453 H454 K455 | A447-G451 PolarHBondContact O-N 3.4Å; H448-G451 WeakPolarHBondContact O-CA 3.41Å; H448-G451 PolarHBondContact O-N 3.14Å; N449-G451 PolarHBondContact O-N 3.35Å; G451-K453 PolarHBondContact O-N 2.89Å; G451-K453 VanDerWaalsContact O-N 3.09Å; G451-H454 WeakPolarHBondContact O-CB 3.46Å; G451-H454 PolarHBondContact O-N 3.23Å; G451-K455 PolarHBondContact O-N 3.47Å |
| 452 | T | 89.3 | Confident | 85.6 | Confident | 121 Ų | 121 | 81.6 Ų | 81.6 | 74% | 0.742 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -54.8 | -33.5 | -176.9 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | L456 | T452-L456 WeakPolarHBondContact O-CB 3.25Å; T452-L456 VanDerWaalsContact O-CG 3.31Å; T452-L456 WeakPolarHBondContact O-CG 3.48Å; T452-L456 PolarHBondContact O-N 3.12Å |
| 453 | K | 86.5 | Confident | 83.7 | Confident | 125 Ų | 125 | 82 Ų | 82 | 54% | 0.543 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 174.5 | -176.7 | -173 | 175 | -61.2 | 0 | 112.4 | G451 M457 | G451-K453 PolarHBondContact O-N 2.89Å; G451-K453 VanDerWaalsContact O-N 3.09Å; K453-M457 PolarHBondContact NZ-SD 3.26Å; K453-M457 WeakPolarHBondContact O-CG 3.45Å; K453-M457 PolarHBondContact O-N 3.32Å |
| 454 | H | 91.4 | Very high | 81.4 | Confident | 10 Ų | 10 | 84.3 Ų | 84.3 | 5% | 0.046 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -72 | -47.3 | 177.6 | 179 | 106.7 | 0 | 0 | 0 | 110.1 | C432 H448 N449 G451 L456 M457 L458 | C432-H454 PolarHBondContact SG-CE1 3.23Å; C432-H454 PolarHBondContact SG-ND1 3.25Å; H448-H454 AromaticContact CD2-CG 4Å; H448-H454 AromaticContact CD2-ND1 3.28Å; H448-H454 PolarHBondContact CD2-ND1 3.14Å; H448-H454 VanDerWaalsContact CD2-ND1 3.28Å; H448-H454 AromaticContact NE2-CG 3.95Å; H448-H454 AromaticContact NE2-ND1 3.2Å; H448-H454 PolarHBondContact NE2-ND1 2.72Å; H448-H454 VanDerWaalsContact NE2-ND1 3.2Å; H448-H454 WeakPolarHBondContact O-CB 3.21Å; N449-H454 PolarHBondContact O-CD2 3.32Å; N449-H454 PolarHBondContact OD1-CE1 3.47Å; G451-H454 WeakPolarHBondContact O-CB 3.46Å; G451-H454 PolarHBondContact O-N 3.23Å; H454-L456 VanDerWaalsContact C-N 3.34Å; H454-L456 PolarHBondContact O-N 3.2Å; H454-M457 CarbonylContact O-C 3.45Å; H454-M457 WeakPolarHBondContact O-CA 3.42Å; H454-M457 WeakPolarHBondContact O-CB 3.33Å; H454-M457 PolarHBondContact O-N 3.19Å; H454-L458 WeakPolarHBondContact NE2-CD1 3.31Å; H454-L458 PolarHBondContact O-N 2.89Å |
| 455 | K | 89.9 | Confident | 79.8 | Confident | 118 Ų | 118 | 85.8 Ų | 85.8 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.9 | -47 | 177.7 | 178.2 | 163.4 | -177.6 | 170.9 | 0 | 112.3 | G451 M457 L458 D459 | G451-K455 PolarHBondContact O-N 3.47Å; K455-M457 VanDerWaalsContact C-N 3.26Å; K455-M457 PolarHBondContact O-N 2.96Å; K455-L458 PolarHBondContact O-N 3.09Å; K455-L458 VanDerWaalsContact O-N 3.08Å; K455-D459 WeakPolarHBondContact CE-OD2 3Å; K455-D459 VanDerWaalsContact CG-OD2 3.22Å; K455-D459 WeakPolarHBondContact CG-OD2 3.22Å; K455-D459 WeakPolarHBondContact O-CB 3.35Å; K455-D459 PolarHBondContact O-N 3.03Å |
| 456 | L | 88.8 | Confident | 77.3 | Confident | 81 Ų | 81 | 94.4 Ų | 94.4 | 42% | 0.424 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -33.1 | 175.1 | -73.4 | 168.2 | 0 | 0 | 0 | 113.2 | T452 H454 H461 | T452-L456 WeakPolarHBondContact O-CB 3.25Å; T452-L456 VanDerWaalsContact O-CG 3.31Å; T452-L456 WeakPolarHBondContact O-CG 3.48Å; T452-L456 PolarHBondContact O-N 3.12Å; H454-L456 VanDerWaalsContact C-N 3.34Å; H454-L456 PolarHBondContact O-N 3.2Å; L456-H461 HydrophobicContact CD2-CB 4.25Å; L456-H461 CarbonylContact O-C 3.59Å; L456-H461 WeakPolarHBondContact O-CA 3.39Å; L456-H461 WeakPolarHBondContact O-CB 3.5Å; L456-H461 PolarHBondContact O-N 3.24Å; L456-H461 VanDerWaalsContact O-N 3.14Å |
| 457 | M | 84.6 | Confident | 75.2 | Confident | 64 Ų | 64 | 99 Ų | 99 | 32% | 0.315 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77 | -24.6 | 175.4 | -70.1 | -178.3 | 60.9 | 0 | 0 | 113.5 | V434 K453 H454 K455 V463 | V434-M457 HydrophobicContact CG1-CB 3.84Å; V434-M457 WeakPolarHBondContact O-CE 3.48Å; K453-M457 PolarHBondContact NZ-SD 3.26Å; K453-M457 WeakPolarHBondContact O-CG 3.45Å; K453-M457 PolarHBondContact O-N 3.32Å; H454-M457 CarbonylContact O-C 3.45Å; H454-M457 WeakPolarHBondContact O-CA 3.42Å; H454-M457 WeakPolarHBondContact O-CB 3.33Å; H454-M457 PolarHBondContact O-N 3.19Å; K455-M457 VanDerWaalsContact C-N 3.26Å; K455-M457 PolarHBondContact O-N 2.96Å; M457-V463 HydrophobicContact CG-CG2 4.29Å |
| 458 | L | 83 | Confident | 72.9 | Confident | 105 Ų | 105 | 105.7 Ų | 105.7 | 55% | 0.55 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -76.9 | -44.1 | 169.9 | -90.4 | -178.7 | 0 | 0 | 0 | 112.3 | V434 H454 K455 G460 | V434-L458 HydrophobicContact CG1-CD2 4.46Å; V434-L458 HydrophobicContact CG1-CG 4.46Å; V434-L458 HydrophobicContact CG2-CD2 3.73Å; V434-L458 HydrophobicContact CG2-CG 4.34Å; H454-L458 WeakPolarHBondContact NE2-CD1 3.31Å; H454-L458 PolarHBondContact O-N 2.89Å; K455-L458 PolarHBondContact O-N 3.09Å; K455-L458 VanDerWaalsContact O-N 3.08Å; L458-G460 PolarHBondContact O-N 3.39Å |
| 459 | D | 82.4 | Confident | 70.3 | Confident | 86 Ų | 86 | 107 Ų | 107 | 46% | 0.46 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | 21 | -177.3 | -64.8 | -16.1 | 0 | 0 | 0 | 112.8 | K455 H461 | K455-D459 WeakPolarHBondContact CE-OD2 3Å; K455-D459 VanDerWaalsContact CG-OD2 3.22Å; K455-D459 WeakPolarHBondContact CG-OD2 3.22Å; K455-D459 WeakPolarHBondContact O-CB 3.35Å; K455-D459 PolarHBondContact O-N 3.03Å; D459-H461 PolarHBondContact O-N 2.89Å; D459-H461 PolarHBondContact O-ND1 3.14Å |
| 460 | G | 69.8 | Low | 68.2 | Low | 65 Ų | 65 | 113.3 Ų | 113.3 | 67% | 0.67 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.5 | -1.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L458 S462 | L458-G460 PolarHBondContact O-N 3.39Å; G460-S462 PolarHBondContact O-N 2.97Å |
| 461 | H | 61.4 | Low | 65.6 | Low | 126 Ų | 126 | 116 Ų | 116 | 58% | 0.583 | 61% | 0.607 | S | S | * | * | trans | -77.5 | 74.7 | -176.8 | -72.6 | 63.9 | 0 | 0 | 0 | 110.7 | L456 D459 V463 | L456-H461 HydrophobicContact CD2-CB 4.25Å; L456-H461 CarbonylContact O-C 3.59Å; L456-H461 WeakPolarHBondContact O-CA 3.39Å; L456-H461 WeakPolarHBondContact O-CB 3.5Å; L456-H461 PolarHBondContact O-N 3.24Å; L456-H461 VanDerWaalsContact O-N 3.14Å; D459-H461 PolarHBondContact O-N 2.89Å; D459-H461 PolarHBondContact O-ND1 3.14Å; H461-V463 PolarHBondContact O-N 3.08Å; H461-V463 VanDerWaalsContact O-N 3.13Å | ||
| 462 | S | 49.5 | Very low | 63.3 | Low | 88 Ų | 88 | 120.9 Ų | 120.9 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | trans | -51.9 | 119.5 | 179.2 | 69.4 | 0 | 0 | 0 | 0 | 111 | G460 L464 | G460-S462 PolarHBondContact O-N 2.97Å; S462-L464 PolarHBondContact O-N 2.94Å | ||
| 463 | V | 52 | Low | 60.7 | Low | 110 Ų | 110 | 120 Ų | 120 | 67% | 0.667 | 64% | 0.638 | S | S | * | * | trans | -80.7 | 55 | 179.6 | -167.4 | 0 | 0 | 0 | 0 | 109.6 | M457 H461 | M457-V463 HydrophobicContact CG-CG2 4.29Å; H461-V463 PolarHBondContact O-N 3.08Å; H461-V463 VanDerWaalsContact O-N 3.13Å | ||
| 464 | L | 43.3 | Very low | 58.4 | Low | 123 Ų | 123 | 118.4 Ų | 118.4 | 64% | 0.644 | 65% | 0.647 | S | S | * | * | trans | -80.6 | 131.6 | 170 | -65.8 | -177.3 | 0 | 0 | 0 | 109.1 | S462 R466 | S462-L464 PolarHBondContact O-N 2.94Å; L464-R466 PolarHBondContact O-N 3.28Å | ||
| 465 | P | 55 | Low | 56.4 | Low | 131 Ų | 131 | 129.4 Ų | 129.4 | 85% | 0.851 | 69% | 0.688 | S | S | * | * | trans | -77 | 68.5 | -178.3 | 32.5 | -36.3 | 0 | 0 | 0 | 111.2 | R467 | P465-R467 PolarHBondContact O-N 3.14Š| ||
| 466 | R | 41.5 | Very low | 53.7 | Low | 211 Ų | 211 | 130.1 Ų | 130.1 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | trans | -70.3 | 126.2 | -173.3 | -120.4 | -175.2 | -170.9 | -95.3 | 3.2 | 112.5 | L464 | L464-R466 PolarHBondContact O-N 3.28Š| ||
| 467 | R | 44.8 | Very low | 51.6 | Low | 233 Ų | 233 | 130.1 Ų | 130.1 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | -73 | 167.3 | 153.4 | -69.7 | -174.7 | 178.8 | -170.9 | 2.2 | 109.9 | P465 | P465-R467 PolarHBondContact O-N 3.14Š| ||
| 468 | R | 46 | Very low | 49.3 | Very low | 204 Ų | 204 | 133.4 Ų | 133.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -35.9 | 143.3 | 177.9 | -149.7 | 175.3 | -166.3 | -122.6 | 12.5 | 115.2 | E502 | R468-E502 IonicContact CZ-OE1 3.69Å; R468-E502 IonicContact CZ-OE2 3.92Å; R468-E502 IonicContact NE-OE1 3.57Å; R468-E502 IonicContact NE-OE2 3.42Å; R468-E502 PolarHBondContact NE-OE2 3.35Å; R468-E502 VanDerWaalsContact NE-OE2 3.08Å; R468-E502 IonicContact NH2-OE1 2.77Å; R468-E502 PolarHBondContact NH2-OE1 2.9Å; R468-E502 IonicContact NH2-OE2 2.89Å; R468-E502 PolarHBondContact NH2-OE2 3.39Å | ||
| 469 | G | 38.8 | Very low | 47.3 | Very low | 67 Ų | 67 | 138.1 Ų | 138.1 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | 167.7 | 131.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 470 | K | 48.9 | Very low | 45.3 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -129.2 | 123.4 | -166.2 | 172.1 | -170.3 | 173.5 | -173.2 | 0 | 111.6 | ||||
| 471 | V | 37.8 | Very low | 44.1 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -142.1 | 158.4 | 158.3 | 178.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 472 | V | 44.8 | Very low | 42.9 | Very low | 127 Ų | 127 | 151.5 Ų | 151.5 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -98.2 | 142.1 | -170.7 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 473 | A | 35.5 | Very low | 42.5 | Very low | 103 Ų | 103 | 156 Ų | 156 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -155.5 | 163.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 474 | A | 36.5 | Very low | 41.9 | Very low | 90 Ų | 90 | 154 Ų | 154 | 74% | 0.744 | 83% | 0.833 | S | S | * | * | trans | -128.6 | 160.3 | -158.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 475 | R | 50.6 | Low | 41.9 | Very low | 241 Ų | 241 | 154.4 Ų | 154.4 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | 36.3 | 111.6 | 154.1 | -64.9 | -179.9 | -178.3 | -172.2 | 2.1 | 119.7 | ||||
| 476 | S | 31.7 | Very low | 41.7 | Very low | 134 Ų | 134 | 158.2 Ų | 158.2 | 94% | 0.937 | 84% | 0.844 | S | S | * | * | -168 | 164.2 | 122.3 | 38.3 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 477 | G | 44.9 | Very low | 41.7 | Very low | 81 Ų | 81 | 152 Ų | 152 | 84% | 0.835 | 85% | 0.845 | S | S | * | * | trans | -149.9 | 165.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 478 | C | 37.7 | Very low | 41.6 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 89% | 0.892 | 84% | 0.844 | S | S | * | * | trans | -140.5 | 157 | 173.8 | -161.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 479 | K | 41.4 | Very low | 41.7 | Very low | 204 Ų | 204 | 143.4 Ų | 143.4 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | trans | -75.9 | 150.9 | -161.1 | -60.9 | 146.5 | 179.7 | 171.4 | 0 | 113.1 | ||||
| 480 | S | 39.5 | Very low | 42.2 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 87% | 0.867 | 85% | 0.85 | S | S | * | * | trans | -142.2 | 145.3 | 149.3 | -169.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 481 | K | 43.9 | Very low | 42.3 | Very low | 207 Ų | 207 | 140.2 Ų | 140.2 | 90% | 0.9 | 85% | 0.845 | S | S | * | * | trans | -74.1 | 136.7 | -166.2 | -69.3 | -179.6 | 176.1 | 179.6 | 0 | 112.4 | ||||
| 482 | R | 37.6 | Very low | 42.7 | Very low | 227 Ų | 227 | 138.1 Ų | 138.1 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | trans | -93 | 131.4 | 160.2 | -89.6 | -167.4 | -179.6 | -133.3 | 6 | 110.7 | ||||
| 483 | L | 41.3 | Very low | 43 | Very low | 182 Ų | 182 | 137 Ų | 137 | 95% | 0.953 | 83% | 0.832 | S | S | * | * | trans | -139 | 134.8 | 143.4 | -64.3 | 174.8 | 0 | 0 | 0 | 105.5 | ||||
| 484 | G | 38.3 | Very low | 44.2 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | cis | 178.4 | 95.1 | -7.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 485 | T | 42.6 | Very low | 45.6 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -150.9 | 131.7 | 175.7 | -42.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 486 | K | 51.1 | Low | 47 | Very low | 211 Ų | 211 | 132.1 Ų | 132.1 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -96.2 | 156.3 | -176.6 | -65.2 | -177.8 | 178.1 | -178.7 | 0 | 110.9 | ||||
| 487 | G | 41.1 | Very low | 49.6 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 110.1 | 72.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 488 | S | 43 | Very low | 51.8 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | trans | -160.4 | 148.5 | 134.1 | 57.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 489 | V | 48.1 | Very low | 54.1 | Low | 134 Ų | 134 | 127.8 Ų | 127.8 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | -65.9 | 145.9 | -174 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | V491 | V489-V491 PolarHBondContact O-N 2.83Š| ||
| 490 | G | 49.2 | Very low | 56.1 | Low | 75 Ų | 75 | 121.4 Ų | 121.4 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | trans | -67.5 | 115.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 491 | V | 52.6 | Low | 58.3 | Low | 121 Ų | 121 | 116.2 Ų | 116.2 | 73% | 0.733 | 66% | 0.659 | S | S | * | * | trans | -99.3 | 129.6 | 165.9 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | V489 S493 | V489-V491 PolarHBondContact O-N 2.83Å; V491-S493 PolarHBondContact O-N 2.84Å | ||
| 492 | P | 45.3 | Very low | 60.2 | Low | 104 Ų | 104 | 111.8 Ų | 111.8 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | trans | -59.5 | 123.1 | 175.6 | 24.9 | -33.3 | 0 | 0 | 0 | 109.5 | K494 | P492-K494 VanDerWaalsContact C-N 3.28Å; P492-K494 PolarHBondContact O-N 2.84Å | ||
| 493 | S | 50.5 | Low | 62.5 | Low | 103 Ų | 103 | 104.6 Ų | 104.6 | 72% | 0.72 | 62% | 0.62 | S | S | * | * | trans | -74.5 | 83.3 | -174.6 | 59.1 | 0 | 0 | 0 | 0 | 110.3 | V491 N495 | V491-S493 PolarHBondContact O-N 2.84Å; S493-N495 PolarHBondContact O-N 2.9Å; S493-N495 VanDerWaalsContact O-N 3.12Å | ||
| 494 | K | 60.4 | Low | 64.8 | Low | 154 Ų | 154 | 102.1 Ų | 102.1 | 67% | 0.67 | 60% | 0.602 | S | S | * | * | trans | -49.5 | 118.8 | 167.2 | -59.7 | -179.2 | -175.2 | -180 | 0 | 107.5 | P492 F496 | P492-K494 VanDerWaalsContact C-N 3.28Å; P492-K494 PolarHBondContact O-N 2.84Å; K494-F496 HydrophobicContact CB-CE1 4.45Å; K494-F496 HydrophobicContact CB-CE2 4.28Å; K494-F496 HydrophobicContact CB-CZ 4.11Å; K494-F496 WeakPolarHBondContact O-CD2 3.2Å; K494-F496 WeakPolarHBondContact O-CE2 3.43Å; K494-F496 PolarHBondContact O-N 3.13Å | ||
| 495 | N | 67.4 | Low | 67.2 | Low | 130 Ų | 130 | 100.7 Ų | 100.7 | 70% | 0.695 | 58% | 0.579 | S | S | * | * | trans | -71.8 | 94.3 | -178.4 | -75.6 | -46.7 | 0 | 0 | 0 | 108.9 | S493 Q497 F504 | S493-N495 PolarHBondContact O-N 2.9Å; S493-N495 VanDerWaalsContact O-N 3.12Å; N495-Q497 VanDerWaalsContact C-N 3.32Å; N495-Q497 PolarHBondContact O-N 2.81Å; N495-F504 HydrophobicContact CB-CD1 4.43Å | ||
| 496 | F | 78.9 | Confident | 69.2 | Low | 49 Ų | 49 | 101.7 Ų | 101.7 | 22% | 0.215 | 58% | 0.579 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.5 | 89.5 | -178.7 | -66 | -75.5 | 0 | 0 | 0 | 110.1 | K494 V505 E508 L511 | K494-F496 HydrophobicContact CB-CE1 4.45Å; K494-F496 HydrophobicContact CB-CE2 4.28Å; K494-F496 HydrophobicContact CB-CZ 4.11Å; K494-F496 WeakPolarHBondContact O-CD2 3.2Å; K494-F496 WeakPolarHBondContact O-CE2 3.43Å; K494-F496 PolarHBondContact O-N 3.13Å; F496-V505 WeakPolarHBondContact O-CG2 3.41Å; F496-V505 PolarHBondContact O-N 3.49Å; F496-E508 HydrophobicContact CD1-CB 3.91Å; F496-E508 HydrophobicContact CD1-CG 4.01Å; F496-E508 HydrophobicContact CD2-CB 4.45Å; F496-E508 HydrophobicContact CE1-CB 3.5Å; F496-E508 HydrophobicContact CE1-CG 3.56Å; F496-E508 HydrophobicContact CE2-CB 4.1Å; F496-E508 HydrophobicContact CG-CB 4.37Å; F496-E508 HydrophobicContact CZ-CB 3.61Å; F496-E508 HydrophobicContact CZ-CG 4.11Å; F496-L511 HydrophobicContact CB-CB 4.02Å; F496-L511 HydrophobicContact CB-CD2 3.93Å; F496-L511 HydrophobicContact CB-CG 4.49Å; F496-L511 HydrophobicContact CD1-CD2 4.2Å |
| 497 | Q | 87.6 | Confident | 71.1 | Confident | 86 Ų | 86 | 93.4 Ų | 93.4 | 40% | 0.402 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 137.8 | -175.6 | -175.2 | -175.7 | -19 | 0 | 0 | 110.8 | N495 I503 F504 | N495-Q497 VanDerWaalsContact C-N 3.32Å; N495-Q497 PolarHBondContact O-N 2.81Å; Q497-I503 CarbonylContact C-O 3.48Å; Q497-I503 WeakPolarHBondContact CA-O 3.19Å; Q497-F504 HydrophobicContact CB-CD1 3.84Å; Q497-F504 HydrophobicContact CB-CE1 3.87Å; Q497-F504 VanDerWaalsContact CD-CE1 3.41Å; Q497-F504 HydrophobicContact CG-CD1 3.91Å; Q497-F504 HydrophobicContact CG-CE1 3.7Å; Q497-F504 HydrophobicContact CG-CE2 4.34Å; Q497-F504 HydrophobicContact CG-CG 4.33Å; Q497-F504 HydrophobicContact CG-CZ 3.92Å |
| 498 | C | 89.6 | Confident | 73.5 | Confident | 3 Ų | 3 | 95.2 Ų | 95.2 | 2% | 0.02 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.7 | 160.5 | -176 | 0 | 0 | 0 | 0 | 109.8 | C501 E502 I503 L511 H514 M515 H520 | C498-C501 HydrophobicContact CB-CB 4.11Å; C498-C501 VanDerWaalsContact SG-CB 3.58Å; C498-C501 PolarHBondContact SG-N 2.81Å; C498-C501 VanDerWaalsContact SG-N 3.43Å; C498-E502 VanDerWaalsContact O-CA 3.27Å; C498-E502 WeakPolarHBondContact O-CA 3.31Å; C498-E502 PolarHBondContact O-N 3.13Å; C498-I503 HydrophobicContact CB-CB 4.46Å; C498-I503 PolarHBondContact N-O 2.78Å; C498-I503 PolarHBondContact O-N 3.01Å; C498-L511 HydrophobicContact CB-CD1 3.96Å; C498-H514 VanDerWaalsContact CB-CD2 3.48Å; C498-H514 WeakPolarHBondContact CB-CD2 3.4Å; C498-H514 WeakPolarHBondContact CB-NE2 3.48Å; C498-M515 HydrophobicContact CB-CE 3.66Å; C498-M515 WeakPolarHBondContact SG-CE 3.23Å; C498-H520 PolarHBondContact SG-CE1 2.79Å; C498-H520 PolarHBondContact SG-ND1 3.34Å |
| 499 | E | 86 | Confident | 75.8 | Confident | 167 Ų | 167 | 93.4 Ų | 93.4 | 78% | 0.78 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -50.8 | 176.7 | -166.8 | 154 | -137.5 | 0 | 0 | 111.6 | C501 E502 | E499-C501 PolarHBondContact O-N 3.01Å; E499-E502 PolarHBondContact O-N 3.43Å; E499-E502 VanDerWaalsContact O-N 3.12Å |
| 500 | V | 84.6 | Confident | 77.7 | Confident | 69 Ų | 69 | 90.9 Ų | 90.9 | 42% | 0.418 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -20.1 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 114.3 | R523 L524 | V500-R523 HydrophobicContact CG1-CB 4.1Å; V500-L524 HydrophobicContact CG1-CD2 4.08Å; V500-L524 HydrophobicContact CG1-CG 4.35Å; V500-L524 HydrophobicContact CG2-CD2 3.89Å |
| 501 | C | 85.9 | Confident | 79.8 | Confident | 15 Ų | 15 | 88.5 Ų | 88.5 | 10% | 0.101 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -8.8 | -179.5 | -61.9 | 0 | 0 | 0 | 0 | 114.5 | C498 E499 I503 H514 R523 | C498-C501 HydrophobicContact CB-CB 4.11Å; C498-C501 VanDerWaalsContact SG-CB 3.58Å; C498-C501 PolarHBondContact SG-N 2.81Å; C498-C501 VanDerWaalsContact SG-N 3.43Å; E499-C501 PolarHBondContact O-N 3.01Å; C501-I503 HydrophobicContact CB-CB 4.41Å; C501-I503 HydrophobicContact CB-CD1 4.01Å; C501-I503 HydrophobicContact CB-CG1 3.91Å; C501-I503 PolarHBondContact O-N 2.82Å; C501-H514 WeakPolarHBondContact CB-NE2 3.33Å; C501-H514 PolarHBondContact SG-CE1 3.4Å; C501-R523 WeakPolarHBondContact SG-CD 3.5Å |
| 502 | E | 83.9 | Confident | 81.7 | Confident | 114 Ų | 114 | 85.4 Ų | 85.4 | 53% | 0.533 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 40.4 | -168 | -64.8 | 178 | -136.6 | 0 | 0 | 113.1 | R468 C498 E499 | R468-E502 IonicContact CZ-OE1 3.69Å; R468-E502 IonicContact CZ-OE2 3.92Å; R468-E502 IonicContact NE-OE1 3.57Å; R468-E502 IonicContact NE-OE2 3.42Å; R468-E502 PolarHBondContact NE-OE2 3.35Å; R468-E502 VanDerWaalsContact NE-OE2 3.08Å; R468-E502 IonicContact NH2-OE1 2.77Å; R468-E502 PolarHBondContact NH2-OE1 2.9Å; R468-E502 IonicContact NH2-OE2 2.89Å; R468-E502 PolarHBondContact NH2-OE2 3.39Å; C498-E502 VanDerWaalsContact O-CA 3.27Å; C498-E502 WeakPolarHBondContact O-CA 3.31Å; C498-E502 PolarHBondContact O-N 3.13Å; E499-E502 PolarHBondContact O-N 3.43Å; E499-E502 VanDerWaalsContact O-N 3.12Å |
| 503 | I | 85.6 | Confident | 83.9 | Confident | 77 Ų | 77 | 87.1 Ų | 87.1 | 40% | 0.395 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.4 | -179.8 | -62.2 | -178.5 | 0 | 0 | 0 | 110.3 | Q497 C498 C501 | Q497-I503 CarbonylContact C-O 3.48Å; Q497-I503 WeakPolarHBondContact CA-O 3.19Å; C498-I503 HydrophobicContact CB-CB 4.46Å; C498-I503 PolarHBondContact N-O 2.78Å; C498-I503 PolarHBondContact O-N 3.01Å; C501-I503 HydrophobicContact CB-CB 4.41Å; C501-I503 HydrophobicContact CB-CD1 4.01Å; C501-I503 HydrophobicContact CB-CG1 3.91Å; C501-I503 PolarHBondContact O-N 2.82Å |
| 504 | F | 88.2 | Confident | 86 | Confident | 130 Ų | 130 | 83.4 Ų | 83.4 | 57% | 0.57 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 136.2 | 167.3 | -61.8 | -92.9 | 0 | 0 | 0 | 110 | N495 Q497 | N495-F504 HydrophobicContact CB-CD1 4.43Å; Q497-F504 HydrophobicContact CB-CD1 3.84Å; Q497-F504 HydrophobicContact CB-CE1 3.87Å; Q497-F504 VanDerWaalsContact CD-CE1 3.41Å; Q497-F504 HydrophobicContact CG-CD1 3.91Å; Q497-F504 HydrophobicContact CG-CE1 3.7Å; Q497-F504 HydrophobicContact CG-CE2 4.34Å; Q497-F504 HydrophobicContact CG-CG 4.33Å; Q497-F504 HydrophobicContact CG-CZ 3.92Å |
| 505 | V | 90 | Very high | 87.5 | Confident | 40 Ų | 40 | 79 Ų | 79 | 24% | 0.242 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 152.4 | 176.4 | -107 | 0 | 0 | 0 | 0 | 110.6 | F496 S507 Q510 L511 | F496-V505 WeakPolarHBondContact O-CG2 3.41Å; F496-V505 PolarHBondContact O-N 3.49Å; V505-S507 PolarHBondContact O-N 2.63Å; V505-Q510 HydrophobicContact CB-CB 3.84Å; V505-Q510 HydrophobicContact CG1-CB 3.76Å; V505-L511 HydrophobicContact CG2-CB 3.87Å; V505-L511 HydrophobicContact CG2-CD1 3.86Å |
| 506 | N | 85.3 | Confident | 88.8 | Confident | 150 Ų | 150 | 79.4 Ų | 79.4 | 80% | 0.802 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -84.7 | -10.5 | -165.1 | -178 | -110.4 | 0 | 0 | 0 | 113.8 | Q510 | N506-Q510 VanDerWaalsContact N-OE1 3.07Š|
| 507 | S | 90.5 | Very high | 89.4 | Confident | 38 Ų | 38 | 78.6 Ų | 78.6 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -144.3 | 145.6 | 178.5 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | V505 T509 Q510 L511 | V505-S507 PolarHBondContact O-N 2.63Å; S507-T509 PolarHBondContact O-N 2.99Å; S507-T509 PolarHBondContact OG-N 3.14Å; S507-T509 PolarHBondContact OG-OG1 3.47Å; S507-Q510 WeakPolarHBondContact O-CA 3.33Å; S507-Q510 WeakPolarHBondContact O-CB 3.35Å; S507-Q510 PolarHBondContact O-N 3.06Å; S507-L511 PolarHBondContact O-N 3.45Å |
| 508 | E | 90.5 | Very high | 89.5 | Confident | 117 Ų | 117 | 83.9 Ų | 83.9 | 55% | 0.547 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -47.6 | -41.7 | 169.2 | -161.2 | 171.5 | 150.2 | 0 | 0 | 112.4 | F496 Q510 L511 S512 | F496-E508 HydrophobicContact CD1-CB 3.91Å; F496-E508 HydrophobicContact CD1-CG 4.01Å; F496-E508 HydrophobicContact CD2-CB 4.45Å; F496-E508 HydrophobicContact CE1-CB 3.5Å; F496-E508 HydrophobicContact CE1-CG 3.56Å; F496-E508 HydrophobicContact CE2-CB 4.1Å; F496-E508 HydrophobicContact CG-CB 4.37Å; F496-E508 HydrophobicContact CZ-CB 3.61Å; F496-E508 HydrophobicContact CZ-CG 4.11Å; E508-Q510 VanDerWaalsContact C-N 3.26Å; E508-Q510 PolarHBondContact O-N 3.27Å; E508-L511 CarbonylContact O-C 3.59Å; E508-L511 PolarHBondContact O-N 3.1Å; E508-L511 VanDerWaalsContact O-N 3.1Å; E508-S512 PolarHBondContact O-N 3.07Å; E508-S512 PolarHBondContact O-OG 3.2Å |
| 509 | T | 91.6 | Very high | 89.3 | Confident | 85 Ų | 85 | 93.7 Ų | 93.7 | 52% | 0.521 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.6 | -33.1 | 177.8 | 63.5 | 0 | 0 | 0 | 0 | 113 | S507 Q513 | S507-T509 PolarHBondContact O-N 2.99Å; S507-T509 PolarHBondContact OG-N 3.14Å; S507-T509 PolarHBondContact OG-OG1 3.47Å; T509-Q513 WeakPolarHBondContact O-CB 3.37Å; T509-Q513 WeakPolarHBondContact O-CG 3.42Å; T509-Q513 PolarHBondContact O-N 3.5Å |
| 510 | Q | 89.1 | Confident | 89.5 | Confident | 81 Ų | 81 | 86.3 Ų | 86.3 | 38% | 0.379 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -77.1 | -35.5 | 176 | -61.3 | 170.1 | 8.5 | 0 | 0 | 111 | V505 N506 S507 E508 H514 | V505-Q510 HydrophobicContact CB-CB 3.84Å; V505-Q510 HydrophobicContact CG1-CB 3.76Å; N506-Q510 VanDerWaalsContact N-OE1 3.07Å; S507-Q510 WeakPolarHBondContact O-CA 3.33Å; S507-Q510 WeakPolarHBondContact O-CB 3.35Å; S507-Q510 PolarHBondContact O-N 3.06Å; E508-Q510 VanDerWaalsContact C-N 3.26Å; E508-Q510 PolarHBondContact O-N 3.27Å; Q510-H514 WeakPolarHBondContact O-CB 3.31Å; Q510-H514 PolarHBondContact O-N 2.77Å |
| 511 | L | 93.2 | Very high | 89.7 | Confident | 26 Ų | 26 | 90.2 Ų | 90.2 | 14% | 0.136 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.7 | -47.8 | 172.3 | -174.7 | 67.2 | 0 | 0 | 0 | 111 | F496 C498 V505 S507 E508 Q513 H514 M515 | F496-L511 HydrophobicContact CB-CB 4.02Å; F496-L511 HydrophobicContact CB-CD2 3.93Å; F496-L511 HydrophobicContact CB-CG 4.49Å; F496-L511 HydrophobicContact CD1-CD2 4.2Å; C498-L511 HydrophobicContact CB-CD1 3.96Å; V505-L511 HydrophobicContact CG2-CB 3.87Å; V505-L511 HydrophobicContact CG2-CD1 3.86Å; S507-L511 PolarHBondContact O-N 3.45Å; E508-L511 CarbonylContact O-C 3.59Å; E508-L511 PolarHBondContact O-N 3.1Å; E508-L511 VanDerWaalsContact O-N 3.1Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-Q513 PolarHBondContact O-N 2.94Å; L511-H514 CarbonylContact O-C 3.59Å; L511-H514 WeakPolarHBondContact O-CA 3.37Å; L511-H514 VanDerWaalsContact O-CB 3.31Å; L511-H514 WeakPolarHBondContact O-CB 3.36Å; L511-H514 PolarHBondContact O-N 3.41Å; L511-M515 HydrophobicContact CD1-CE 3.53Å; L511-M515 HydrophobicContact CD1-SD 4.5Å; L511-M515 HydrophobicContact CG-CE 4.11Å; L511-M515 WeakPolarHBondContact O-CG 3.49Å; L511-M515 PolarHBondContact O-N 2.8Å |
| 512 | S | 90.5 | Very high | 89.8 | Confident | 55 Ų | 55 | 92.9 Ų | 92.9 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 177.6 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | E508 H514 M515 N516 | E508-S512 PolarHBondContact O-N 3.07Å; E508-S512 PolarHBondContact O-OG 3.2Å; S512-H514 VanDerWaalsContact C-N 3.3Å; S512-H514 PolarHBondContact O-N 3.05Å; S512-M515 PolarHBondContact O-N 2.91Å; S512-N516 WeakPolarHBondContact O-CB 3.46Å; S512-N516 PolarHBondContact O-N 2.9Å; S512-N516 PolarHBondContact O-ND2 2.94Å |
| 513 | Q | 93.3 | Very high | 89.8 | Confident | 141 Ų | 141 | 93.1 Ų | 93.1 | 66% | 0.659 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.3 | -31.3 | 169.2 | -75.5 | 173.3 | 38.5 | 0 | 0 | 112.7 | T509 L511 S517 | T509-Q513 WeakPolarHBondContact O-CB 3.37Å; T509-Q513 WeakPolarHBondContact O-CG 3.42Å; T509-Q513 PolarHBondContact O-N 3.5Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-Q513 PolarHBondContact O-N 2.94Å; Q513-S517 PolarHBondContact O-N 3.2Å; Q513-S517 VanDerWaalsContact O-N 3.14Å |
| 514 | H | 94.5 | Very high | 89.6 | Confident | 25 Ų | 25 | 94.5 Ų | 94.5 | 12% | 0.116 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -72.9 | -42.2 | 173.2 | 176.1 | 26.7 | 0 | 0 | 0 | 112.3 | C498 C501 Q510 L511 S512 N516 S517 H520 | C498-H514 VanDerWaalsContact CB-CD2 3.48Å; C498-H514 WeakPolarHBondContact CB-CD2 3.4Å; C498-H514 WeakPolarHBondContact CB-NE2 3.48Å; C501-H514 WeakPolarHBondContact CB-NE2 3.33Å; C501-H514 PolarHBondContact SG-CE1 3.4Å; Q510-H514 WeakPolarHBondContact O-CB 3.31Å; Q510-H514 PolarHBondContact O-N 2.77Å; L511-H514 CarbonylContact O-C 3.59Å; L511-H514 WeakPolarHBondContact O-CA 3.37Å; L511-H514 VanDerWaalsContact O-CB 3.31Å; L511-H514 WeakPolarHBondContact O-CB 3.36Å; L511-H514 PolarHBondContact O-N 3.41Å; S512-H514 VanDerWaalsContact C-N 3.3Å; S512-H514 PolarHBondContact O-N 3.05Å; H514-N516 VanDerWaalsContact C-N 3.35Å; H514-N516 PolarHBondContact O-N 3.28Å; H514-S517 PolarHBondContact ND1-OG 2.84Å; H514-S517 WeakPolarHBondContact O-CB 3.27Å; H514-S517 PolarHBondContact O-N 3.4Å; H514-S517 PolarHBondContact O-OG 2.98Å; H514-H520 WeakPolarHBondContact O-CB 3.37Å |
| 515 | M | 92.2 | Very high | 89.4 | Confident | 60 Ų | 60 | 91 Ų | 91 | 30% | 0.296 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 174.8 | -61.6 | -50.1 | 86.2 | 0 | 0 | 110.5 | C498 L511 S512 S517 H520 | C498-M515 HydrophobicContact CB-CE 3.66Å; C498-M515 WeakPolarHBondContact SG-CE 3.23Å; L511-M515 HydrophobicContact CD1-CE 3.53Å; L511-M515 HydrophobicContact CD1-SD 4.5Å; L511-M515 HydrophobicContact CG-CE 4.11Å; L511-M515 WeakPolarHBondContact O-CG 3.49Å; L511-M515 PolarHBondContact O-N 2.8Å; S512-M515 PolarHBondContact O-N 2.91Å; M515-S517 PolarHBondContact O-N 2.95Å; M515-H520 PolarHBondContact O-CD2 3.27Å; M515-H520 VanDerWaalsContact O-CD2 3.27Å; M515-H520 VanDerWaalsContact SD-CE1 3.52Å |
| 516 | N | 93.1 | Very high | 88.4 | Confident | 139 Ų | 139 | 92.4 Ų | 92.4 | 74% | 0.743 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -6.2 | 176.3 | -74.1 | -73.4 | 0 | 0 | 0 | 113.7 | S512 H514 | S512-N516 WeakPolarHBondContact O-CB 3.46Å; S512-N516 PolarHBondContact O-N 2.9Å; S512-N516 PolarHBondContact O-ND2 2.94Å; H514-N516 VanDerWaalsContact C-N 3.35Å; H514-N516 PolarHBondContact O-N 3.28Å |
| 517 | S | 91.7 | Very high | 87.4 | Confident | 32 Ų | 32 | 91.9 Ų | 91.9 | 22% | 0.224 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -71.7 | 135.9 | 177 | 80.3 | 0 | 0 | 0 | 0 | 110.6 | Q513 H514 M515 R519 H520 K521 | Q513-S517 PolarHBondContact O-N 3.2Å; Q513-S517 VanDerWaalsContact O-N 3.14Å; H514-S517 PolarHBondContact ND1-OG 2.84Å; H514-S517 WeakPolarHBondContact O-CB 3.27Å; H514-S517 PolarHBondContact O-N 3.4Å; H514-S517 PolarHBondContact O-OG 2.98Å; M515-S517 PolarHBondContact O-N 2.95Å; S517-R519 PolarHBondContact O-N 3.49Å; S517-H520 PolarHBondContact O-N 3.22Å; S517-H520 PolarHBondContact OG-N 3.32Å; S517-K521 PolarHBondContact O-N 3.36Å; S517-K521 VanDerWaalsContact O-N 3.13Å |
| 518 | R | 90.1 | Very high | 85.9 | Confident | 198 Ų | 198 | 95.3 Ų | 95.3 | 75% | 0.747 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -50.9 | -32.5 | 174.3 | -177.9 | 174.2 | 178.2 | 166.5 | 5.6 | 112.8 | H520 K521 D522 | R518-H520 VanDerWaalsContact C-N 3.33Å; R518-H520 PolarHBondContact O-N 2.96Å; R518-K521 PolarHBondContact O-N 2.95Å; R518-D522 WeakPolarHBondContact CG-OD2 3.4Å; R518-D522 IonicContact NE-OD1 2.78Å; R518-D522 IonicContact NE-OD2 2.68Å; R518-D522 VanDerWaalsContact O-CB 3.23Å; R518-D522 WeakPolarHBondContact O-CB 3.15Å; R518-D522 PolarHBondContact O-N 3.15Å |
| 519 | R | 85.2 | Confident | 84.3 | Confident | 209 Ų | 209 | 94.7 Ų | 94.7 | 79% | 0.789 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.5 | -25.7 | 178 | -67.6 | -179 | 176.6 | 179.5 | -1.6 | 114.4 | S517 R523 | S517-R519 PolarHBondContact O-N 3.49Å; R519-R523 VanDerWaalsContact O-CD 3.31Å; R519-R523 WeakPolarHBondContact O-CD 3.38Å; R519-R523 WeakPolarHBondContact O-CG 3.48Å |
| 520 | H | 90.6 | Very high | 82.2 | Confident | 12 Ų | 12 | 99.7 Ų | 99.7 | 6% | 0.056 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -82.5 | -47.4 | 171.7 | 177.7 | 90.5 | 0 | 0 | 0 | 109.9 | C498 H514 M515 S517 R518 D522 R523 L524 | C498-H520 PolarHBondContact SG-CE1 2.79Å; C498-H520 PolarHBondContact SG-ND1 3.34Å; H514-H520 WeakPolarHBondContact O-CB 3.37Å; M515-H520 PolarHBondContact O-CD2 3.27Å; M515-H520 VanDerWaalsContact O-CD2 3.27Å; M515-H520 VanDerWaalsContact SD-CE1 3.52Å; S517-H520 PolarHBondContact O-N 3.22Å; S517-H520 PolarHBondContact OG-N 3.32Å; R518-H520 VanDerWaalsContact C-N 3.33Å; R518-H520 PolarHBondContact O-N 2.96Å; H520-D522 VanDerWaalsContact C-N 3.32Å; H520-D522 PolarHBondContact O-N 3.12Å; H520-R523 WeakPolarHBondContact O-CA 3.47Å; H520-R523 WeakPolarHBondContact O-CB 3.36Å; H520-R523 PolarHBondContact O-N 2.9Å; H520-L524 WeakPolarHBondContact NE2-CD1 3.41Å; H520-L524 PolarHBondContact O-N 3.43Å |
| 521 | K | 89.8 | Confident | 80.7 | Confident | 151 Ų | 151 | 101.9 Ų | 101.9 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.5 | -38 | 176.7 | -167 | 166.8 | -176.5 | 169.4 | 0 | 113.4 | S517 R518 R523 L524 A525 | S517-K521 PolarHBondContact O-N 3.36Å; S517-K521 VanDerWaalsContact O-N 3.13Å; R518-K521 PolarHBondContact O-N 2.95Å; K521-R523 PolarHBondContact O-N 3.39Å; K521-L524 PolarHBondContact O-N 2.8Å; K521-A525 WeakPolarHBondContact O-CB 3.08Å; K521-A525 PolarHBondContact O-N 3.21Å; K521-A525 VanDerWaalsContact O-N 3.15Å |
| 522 | D | 87.3 | Confident | 78.2 | Confident | 70 Ų | 70 | 110.1 Ų | 110.1 | 37% | 0.374 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.7 | -24.5 | 174.3 | -73.4 | -22.3 | 0 | 0 | 0 | 112.6 | R518 H520 | R518-D522 WeakPolarHBondContact CG-OD2 3.4Å; R518-D522 IonicContact NE-OD1 2.78Å; R518-D522 IonicContact NE-OD2 2.68Å; R518-D522 VanDerWaalsContact O-CB 3.23Å; R518-D522 WeakPolarHBondContact O-CB 3.15Å; R518-D522 PolarHBondContact O-N 3.15Å; H520-D522 VanDerWaalsContact C-N 3.32Å; H520-D522 PolarHBondContact O-N 3.12Å |
| 523 | R | 83.3 | Confident | 76 | Confident | 119 Ų | 119 | 116.7 Ų | 116.7 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -86.1 | -40.2 | 176.3 | -73.4 | 168.7 | 168.9 | -115.3 | 2.1 | 112.7 | V500 C501 R519 H520 K521 A525 G526 | V500-R523 HydrophobicContact CG1-CB 4.1Å; C501-R523 WeakPolarHBondContact SG-CD 3.5Å; R519-R523 VanDerWaalsContact O-CD 3.31Å; R519-R523 WeakPolarHBondContact O-CD 3.38Å; R519-R523 WeakPolarHBondContact O-CG 3.48Å; H520-R523 WeakPolarHBondContact O-CA 3.47Å; H520-R523 WeakPolarHBondContact O-CB 3.36Å; H520-R523 PolarHBondContact O-N 2.9Å; K521-R523 PolarHBondContact O-N 3.39Å; R523-A525 PolarHBondContact O-N 3.5Å; R523-G526 PolarHBondContact O-N 2.94Å |
| 524 | L | 81.9 | Confident | 73.8 | Confident | 107 Ų | 107 | 115.5 Ų | 115.5 | 56% | 0.56 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -55.7 | -37 | 170.1 | -76.9 | 175.2 | 0 | 0 | 0 | 111.3 | V500 H520 K521 G526 | V500-L524 HydrophobicContact CG1-CD2 4.08Å; V500-L524 HydrophobicContact CG1-CG 4.35Å; V500-L524 HydrophobicContact CG2-CD2 3.89Å; H520-L524 WeakPolarHBondContact NE2-CD1 3.41Å; H520-L524 PolarHBondContact O-N 3.43Å; K521-L524 PolarHBondContact O-N 2.8Å; L524-G526 PolarHBondContact O-N 3.36Å |
| 525 | A | 82.8 | Confident | 72 | Confident | 57 Ų | 57 | 119.9 Ų | 119.9 | 47% | 0.471 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.5 | 22.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K521 R523 K527 | K521-A525 WeakPolarHBondContact O-CB 3.08Å; K521-A525 PolarHBondContact O-N 3.21Å; K521-A525 VanDerWaalsContact O-N 3.15Å; R523-A525 PolarHBondContact O-N 3.5Å; A525-K527 PolarHBondContact O-N 3.22Å |
| 526 | G | 70.2 | Confident | 69.1 | Low | 68 Ų | 68 | 123.5 Ų | 123.5 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.6 | -0.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | R523 L524 | R523-G526 PolarHBondContact O-N 2.94Å; L524-G526 PolarHBondContact O-N 3.36Å |
| 527 | K | 63.8 | Low | 66.1 | Low | 140 Ų | 140 | 122.5 Ų | 122.5 | 61% | 0.609 | 63% | 0.634 | S | S | * | * | trans | -73.8 | 125.1 | -171.9 | -72.5 | 164 | -171 | 177.8 | 0 | 110 | A525 | A525-K527 PolarHBondContact O-N 3.22Š| ||
| 528 | P | 59.1 | Low | 63.5 | Low | 109 Ų | 109 | 128.6 Ų | 128.6 | 71% | 0.708 | 66% | 0.656 | S | S | * | * | trans | -60.2 | 140.8 | -174.2 | 22.8 | -33.3 | 0 | 0 | 0 | 110.9 | K530 | P528-K530 PolarHBondContact O-N 3.49Š| ||
| 529 | P | 56.6 | Low | 60.7 | Low | 104 Ų | 104 | 124.4 Ų | 124.4 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | trans | -66.2 | 102.2 | -173.4 | 26.4 | -34.5 | 0 | 0 | 0 | 110.4 | ||||
| 530 | K | 47.8 | Very low | 58.2 | Low | 191 Ų | 191 | 122.8 Ų | 122.8 | 83% | 0.83 | 66% | 0.659 | S | S | * | * | trans | -50 | 131.7 | -179.9 | -67.6 | -167.9 | 176.8 | -169.9 | 0 | 110.3 | P528 | P528-K530 PolarHBondContact O-N 3.49Š| ||
| 531 | P | 57.6 | Low | 55.6 | Low | 127 Ų | 127 | 127.7 Ų | 127.7 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | trans | -57.1 | 144 | -176.7 | 21.8 | -32.5 | 0 | 0 | 0 | 111.1 | F533 | P531-F533 PolarHBondContact O-N 2.91Š| ||
| 532 | K | 41.1 | Very low | 52.9 | Low | 198 Ų | 198 | 126.2 Ų | 126.2 | 86% | 0.861 | 70% | 0.7 | S | S | * | * | trans | -64.1 | 103.1 | -166.8 | -63.8 | 176 | -177.7 | 176.2 | 0 | 111.2 | T534 | K532-T534 PolarHBondContact O-N 2.91Å; K532-T534 VanDerWaalsContact O-N 3.12Å | ||
| 533 | F | 44.4 | Very low | 50.2 | Low | 193 Ų | 193 | 127.9 Ų | 127.9 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | -63.7 | 110.9 | 168.8 | -170.1 | -90.7 | 0 | 0 | 0 | 109.4 | P531 P535 | P531-F533 PolarHBondContact O-N 2.91Å; F533-P535 VanDerWaalsContact O-CD 3.32Å; F533-P535 WeakPolarHBondContact O-CD 3.39Å | ||
| 534 | T | 46.6 | Very low | 47.8 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | -93.7 | 109.7 | -175.7 | 38.5 | 0 | 0 | 0 | 0 | 111.1 | K532 H536 | K532-T534 PolarHBondContact O-N 2.91Å; K532-T534 VanDerWaalsContact O-N 3.12Å; T534-H536 PolarHBondContact O-N 3.23Å; T534-H536 VanDerWaalsContact O-N 3.15Å | ||
| 535 | P | 55.9 | Low | 45.4 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -73 | 110.9 | 173.5 | 29.2 | -32.7 | 0 | 0 | 0 | 110.4 | F533 | F533-P535 VanDerWaalsContact O-CD 3.32Å; F533-P535 WeakPolarHBondContact O-CD 3.39Å | ||
| 536 | H | 31.4 | Very low | 43.2 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 63% | 0.634 | 77% | 0.765 | S | S | * | * | trans | 85 | 86.8 | 164.9 | -133.7 | 68.9 | 0 | 0 | 0 | 118.4 | T534 | T534-H536 PolarHBondContact O-N 3.23Å; T534-H536 VanDerWaalsContact O-N 3.15Å | ||
| 537 | S | 30.7 | Very low | 41.2 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | -106 | 159.6 | 128.1 | 67.7 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 538 | K | 36.8 | Very low | 39.6 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | -153.3 | 102.8 | -176.4 | -166.8 | -176 | -175 | -172.1 | 0 | 111.9 | ||||
| 539 | S | 32.6 | Very low | 38.2 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -109.1 | 160.4 | 171.4 | 46.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 540 | Q | 31.9 | Very low | 36.8 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -88.5 | 154 | 176.6 | -67.7 | -77.3 | 28.1 | 0 | 0 | 111 | ||||
| 541 | P | 36.6 | Very low | 36 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -83.1 | 124.1 | 166.4 | 32.9 | -30.3 | 0 | 0 | 0 | 110.9 | ||||
| 542 | S | 31.9 | Very low | 34.8 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -139.2 | 96.4 | 165.2 | 57.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 543 | S | 32.2 | Very low | 34.4 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -142.3 | 87.6 | 177.9 | 59.3 | 0 | 0 | 0 | 0 | 109.6 | F545 | S543-F545 PolarHBondContact O-N 3.27Š| ||
| 544 | S | 31.5 | Very low | 33.8 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -75.8 | 98.9 | 170.2 | 49 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 545 | F | 31.1 | Very low | 33.1 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | -125.7 | 135.3 | 156.6 | -85.6 | -72.5 | 0 | 0 | 0 | 109.4 | S543 | S543-F545 PolarHBondContact O-N 3.27Š| ||
| 546 | T | 36.5 | Very low | 31.9 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -71.6 | 134 | -173.4 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 547 | N | 29.1 | Very low | 31.7 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -131.3 | 115.9 | 153.8 | -105.7 | -69.6 | 0 | 0 | 0 | 108.3 | ||||
| 548 | V | 31.2 | Very low | 31.8 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -75 | 130.8 | -175.6 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | W550 | V548-W550 PolarHBondContact O-N 3.08Š| ||
| 549 | R | 28.8 | Very low | 31.4 | Very low | 224 Ų | 224 | 137.2 Ų | 137.2 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -73.6 | 109.5 | 172.1 | 174.3 | 179.4 | -70.7 | 175.1 | -2.8 | 108.9 | S551 | R549-S551 PolarHBondContact O-N 2.89Š| ||
| 550 | W | 26.2 | Very low | 31.5 | Very low | 246 Ų | 246 | 136.2 Ų | 136.2 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | -66.7 | 119.3 | 158.2 | -80.2 | 83 | 0 | 0 | 0 | 109.1 | V548 | V548-W550 PolarHBondContact O-N 3.08Š| ||
| 551 | S | 32.6 | Very low | 31.5 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -131.1 | 118.1 | 163.4 | -170 | 0 | 0 | 0 | 0 | 105 | R549 Y553 | R549-S551 PolarHBondContact O-N 2.89Å; S551-Y553 PolarHBondContact O-N 2.77Å | ||
| 552 | G | 31.4 | Very low | 31.3 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | -75.6 | 125 | -170 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 553 | Y | 33 | Very low | 31.2 | Very low | 235 Ų | 235 | 144.6 Ų | 144.6 | 92% | 0.922 | 81% | 0.814 | S | S | * | * | trans | -129.4 | 139.7 | 147.1 | -104 | -89.4 | 0 | 0 | 0 | 107.9 | S551 | S551-Y553 PolarHBondContact O-N 2.77Š| ||
| 554 | A | 31.7 | Very low | 31.1 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -90.4 | 148.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 555 | G | 31.5 | Very low | 31.1 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 159.8 | 131.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 556 | V | 31 | Very low | 31.2 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | 54.9 | 93.7 | 159.9 | -162.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 557 | A | 27.8 | Very low | 31.3 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | 85.6 | 160.5 | 56.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 558 | V | 32.2 | Very low | 31.3 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 83.4 | 82.6 | 176.9 | -164.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 559 | S | 29.8 | Very low | 30.9 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | 28.1 | 118.8 | 122.6 | -49.8 | 0 | 0 | 0 | 0 | 123 | |||||
| 560 | A | 33 | Very low | 30.8 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | -179.9 | 107.7 | 126.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 561 | M | 32.3 | Very low | 30.9 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | 92.4 | 145.3 | 67 | -84.7 | -152.4 | -66.7 | 0 | 0 | 115.4 | |||||
| 562 | K | 31.9 | Very low | 30.7 | Very low | 199 Ų | 199 | 133.7 Ų | 133.7 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | 69.4 | 113.4 | 178.3 | -115.5 | 168 | 177.9 | 176.1 | 0 | 114.8 | ||||
| 563 | K | 30.9 | Very low | 30.6 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | 63.6 | 143.6 | 51.3 | -67 | -170.8 | 173.6 | -177.3 | 0 | 114.5 | |||||
| 564 | A | 30.7 | Very low | 30.5 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | cis | -179.9 | 159.5 | -22.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 565 | F | 30.9 | Very low | 30.5 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | 59.5 | 123.3 | 148 | -98.6 | -117.7 | 0 | 0 | 0 | 121.4 | Q567 | F565-Q567 HydrophobicContact CD1-CG 3.84Å; F565-Q567 HydrophobicContact CE1-CG 4.12Å | ||
| 566 | T | 32 | Very low | 30.6 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | -150.4 | 117.7 | 102.6 | 30.4 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 567 | Q | 38.3 | Very low | 30.6 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | 64 | 137.6 | 92.2 | -66.4 | -169.5 | 3.9 | 0 | 0 | 114.4 | F565 | F565-Q567 HydrophobicContact CD1-CG 3.84Å; F565-Q567 HydrophobicContact CE1-CG 4.12Å | |||
| 568 | C | 29.5 | Very low | 30.7 | Very low | 83 Ų | 83 | 141.5 Ų | 141.5 | 56% | 0.561 | 78% | 0.778 | S | S | * | * | cis | -155.2 | 154.8 | -8.5 | -108.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 569 | N | 24.3 | Very low | 30.7 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | -164.1 | 168.3 | 90.7 | -103.1 | -55.3 | 0 | 0 | 0 | 113.2 | |||||
| 570 | F | 25.9 | Very low | 30.6 | Very low | 179 Ų | 179 | 142 Ų | 142 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -128 | 168.8 | -162.2 | -110.9 | -77.5 | 0 | 0 | 0 | 114.1 | ||||
| 571 | T | 28.6 | Very low | 30.7 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | 58.5 | 117 | 151.7 | 46.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 572 | S | 27.7 | Very low | 30.7 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | 50.9 | 127.2 | 111.3 | -160.3 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 573 | L | 30.2 | Very low | 30.8 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 95% | 0.948 | 78% | 0.776 | S | S | * | * | trans | -138 | 142 | 147.8 | -153.7 | 76.3 | 0 | 0 | 0 | 110 | ||||
| 574 | S | 31.3 | Very low | 30.9 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | -138.3 | 138.5 | 178.1 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 575 | S | 31.3 | Very low | 31.1 | Very low | 101 Ų | 101 | 146 Ų | 146 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -173.5 | 128.6 | 155 | -90 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 576 | Q | 32.7 | Very low | 31.2 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 54.8 | 162.2 | 132.9 | -46.2 | -169.7 | 42.4 | 0 | 0 | 118.6 | ||||
| 577 | T | 30.9 | Very low | 31.4 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | cis | -146.8 | -167.6 | 13.6 | -29.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 578 | K | 30.4 | Very low | 30.9 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -117.2 | 142.9 | -165.1 | -179.3 | -169.5 | -169.8 | -178.4 | 0 | 110.6 | ||||
| 579 | L | 32.4 | Very low | 31 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | 173.9 | 118.5 | 153 | -92 | 158.3 | 0 | 0 | 0 | 106.1 | ||||
| 580 | A | 28.2 | Very low | 31.2 | Very low | 89 Ų | 89 | 144 Ų | 144 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | cis | 91.6 | 105.6 | 49.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 581 | L | 34.2 | Very low | 31.4 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 96% | 0.963 | 78% | 0.779 | S | S | * | * | trans | -132.7 | 163.8 | 152.4 | -104.5 | 176 | 0 | 0 | 0 | 109.3 | ||||
| 582 | Q | 32.7 | Very low | 31.5 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -127 | 129.5 | -140.1 | 175.7 | 170.5 | -69.8 | 0 | 0 | 116.1 | ||||
| 583 | K | 34.2 | Very low | 31.6 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | 29.5 | 120.7 | 149.3 | -57.5 | 168.2 | -176.4 | 170.4 | 0 | 119.8 | ||||
| 584 | Q | 33.4 | Very low | 32.2 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | -128.8 | 129.9 | 110.2 | -69.6 | -162.1 | -4 | 0 | 0 | 106.6 | |||||
| 585 | L | 34.5 | Very low | 32.7 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | 62.4 | 124.8 | 71 | -59.5 | 173.5 | 0 | 0 | 0 | 111 | |||||
| 586 | T | 32.4 | Very low | 32.8 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | cis | -138.5 | 147.3 | 12.7 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 587 | K | 35.6 | Very low | 33.7 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | 41.1 | 139.8 | 92.1 | -64.6 | -176.5 | 177.2 | -176.3 | 0 | 115.9 | |||||
| 588 | S | 27.9 | Very low | 33.6 | Very low | 87 Ų | 87 | 144.2 Ų | 144.2 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | cis | 177.2 | 168.3 | -9.2 | 52.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 589 | L | 31.7 | Very low | 33.7 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 70.2 | 149.9 | 154.3 | -71 | 171.3 | 0 | 0 | 0 | 118.1 | ||||
| 590 | T | 28 | Very low | 34.5 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 64% | 0.638 | 78% | 0.779 | S | S | * | * | cis | -159.8 | 172.2 | -24.2 | -16 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 591 | T | 30.7 | Very low | 36 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | 63.6 | 146.2 | 154.8 | 48.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 592 | G | 31.1 | Very low | 36 | Very low | 64 Ų | 64 | 137 Ų | 137 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | cis | -175.7 | 150.3 | -4.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 593 | F | 29.7 | Very low | 36 | Very low | 211 Ų | 211 | 136.7 Ų | 136.7 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | 23.1 | 132.2 | 159.7 | -63.2 | -86.1 | 0 | 0 | 0 | 123.8 | ||||
| 594 | L | 42.3 | Very low | 35.8 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -70 | 158.7 | 159.6 | -56.6 | 169.6 | 0 | 0 | 0 | 110.5 | ||||
| 595 | P | 42.9 | Very low | 35.9 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | -151.3 | -179.6 | 70.3 | 41.5 | -20.8 | 0 | 0 | 0 | 117.5 | |||||
| 596 | S | 33.7 | Very low | 36.1 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -81.3 | -176.9 | 161.5 | -43.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 597 | P | 50.5 | Low | 36 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | cis | -147.6 | -166 | 11.6 | 45.1 | -23.9 | 0 | 0 | 0 | 117.6 | ||||
| 598 | L | 29.7 | Very low | 35.9 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | 78.7 | 167 | 156 | -68.1 | 173 | 0 | 0 | 0 | 121.4 | ||||
| 599 | T | 32.6 | Very low | 36.4 | Very low | 122 Ų | 122 | 130 Ų | 130 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -130.2 | -174.6 | -165.4 | 54.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 600 | P | 48.9 | Very low | 37.8 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | cis | -124.9 | -124.1 | -21.3 | 24.4 | 1.4 | 0 | 0 | 0 | 113 | ||||
| 601 | P | 60.5 | Low | 38 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | -117.5 | -178.8 | -93.7 | 37.8 | -23 | 0 | 0 | 0 | 116 | |||||
| 602 | T | 32.3 | Very low | 38.1 | Very low | 132 Ų | 132 | 128 Ų | 128 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -178.1 | 156.1 | 142 | -80.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 603 | L | 33 | Very low | 38 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -28.7 | 166.4 | 174.1 | -55.7 | 171.4 | 0 | 0 | 0 | 119.7 | ||||
| 604 | C | 31.6 | Very low | 38.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | -145.7 | -126.9 | 52.4 | -67.3 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 605 | T | 34 | Very low | 37.8 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -160.8 | 179.2 | -138.4 | -44.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 606 | V | 38.5 | Very low | 38.3 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | 71.2 | 151.4 | 167 | -103.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 607 | A | 31.7 | Very low | 38.4 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | cis | -156.1 | 154.8 | 1.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 608 | T | 32.6 | Very low | 37.5 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 53.6 | 108 | 142.5 | 53.8 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 609 | N | 38.2 | Very low | 37.7 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | 79.5 | 171.9 | 110.7 | -115.9 | 12.8 | 0 | 0 | 0 | 123 | |||||
| 610 | P | 60.7 | Low | 37.7 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | -141.4 | 178.8 | -116.1 | 45.6 | -25.4 | 0 | 0 | 0 | 118.8 | |||||
| 611 | L | 33.6 | Very low | 37 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -151.6 | 133 | 161.9 | -85.5 | -177.9 | 0 | 0 | 0 | 115 | ||||
| 612 | A | 31.4 | Very low | 35.8 | Very low | 83 Ų | 83 | 133.2 Ų | 133.2 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | 44.1 | 144.8 | 134.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 613 | L | 29.6 | Very low | 35.9 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | cis | -165 | 150.1 | -2.1 | -142.1 | 69.1 | 0 | 0 | 0 | 113.5 | ||||
| 614 | R | 33.8 | Very low | 35.9 | Very low | 226 Ų | 226 | 135.8 Ų | 135.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 68.2 | 133.7 | 154.8 | -59.4 | -136.7 | 162.8 | 139.1 | -0 | 124.2 | ||||
| 615 | H | 34.7 | Very low | 36.4 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -101.5 | 179.5 | 149.2 | -60 | -90.4 | 0 | 0 | 0 | 110.2 | ||||
| 616 | P | 51.8 | Low | 37.2 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | -149.6 | 156.9 | 88.8 | 38.2 | -20.2 | 0 | 0 | 0 | 118 | |||||
| 617 | V | 35.9 | Very low | 37.1 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | 39.3 | 137.3 | 135.9 | -174.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 618 | G | 33.2 | Very low | 37.8 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | -168.2 | -164.6 | 5.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 619 | A | 32.9 | Very low | 38.3 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -158 | 164.7 | 4.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 620 | T | 33.3 | Very low | 38.7 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | 53.2 | 107 | 156.2 | 51.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 621 | T | 33.2 | Very low | 37.7 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | 50.1 | 142.9 | 128.2 | 62.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 622 | F | 36.1 | Very low | 38.1 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | cis | -140 | -177 | 31.7 | -112.5 | -81.7 | 0 | 0 | 0 | 113.6 | ||||
| 623 | I | 34 | Very low | 38.6 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -106.1 | 129.4 | -162.9 | -61.7 | 159.6 | 0 | 0 | 0 | 113 | ||||
| 624 | Q | 33.4 | Very low | 39.5 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | -156.3 | 126.2 | 129.7 | -119.9 | -178.6 | 20.3 | 0 | 0 | 113.1 | |||||
| 625 | T | 42.7 | Very low | 40.1 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -130.4 | 157.6 | 173.4 | -2.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 626 | P | 50.8 | Low | 40.1 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 63% | 0.63 | 80% | 0.801 | S | S | * | * | -156.2 | 177.6 | 71 | 44.4 | -24.6 | 0 | 0 | 0 | 118.2 | |||||
| 627 | F | 35.8 | Very low | 39.8 | Very low | 184 Ų | 184 | 139 Ų | 139 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | 49 | 109.3 | 158.9 | -55.1 | -55 | 0 | 0 | 0 | 117.8 | ||||
| 628 | L | 46.8 | Very low | 40.7 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | -155.8 | 166.8 | 53 | -81.5 | 167.9 | 0 | 0 | 0 | 112.6 | |||||
| 629 | G | 41.8 | Very low | 41.3 | Very low | 65 Ų | 65 | 137.8 Ų | 137.8 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | -90.9 | 167 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | A631 | G629-A631 PolarHBondContact O-N 2.82Š| ||
| 630 | P | 48.1 | Very low | 41.8 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 93% | 0.929 | 81% | 0.808 | S | S | * | * | trans | -82.6 | 109.4 | -175.7 | 32.2 | -33.8 | 0 | 0 | 0 | 112.6 | ||||
| 631 | A | 38.4 | Very low | 42.4 | Very low | 90 Ų | 90 | 147.9 Ų | 147.9 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | -118.7 | 110.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G629 | G629-A631 PolarHBondContact O-N 2.82Š| ||
| 632 | L | 43.2 | Very low | 42.8 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | 57 | 99.8 | 149.3 | -54.6 | 179 | 0 | 0 | 0 | 118.9 | R634 | L632-R634 PolarHBondContact O-N 3.12Š| ||
| 633 | F | 40.4 | Very low | 42.9 | Very low | 210 Ų | 210 | 144.4 Ų | 144.4 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -49.4 | 124.5 | 145.8 | -78.1 | -102.6 | 0 | 0 | 0 | 111.2 | ||||
| 634 | R | 50 | Low | 43.4 | Very low | 235 Ų | 235 | 145.8 Ų | 145.8 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | -144 | 123.8 | 145.7 | -81.3 | -154.1 | 169.7 | -161.2 | -2.7 | 111.2 | L632 | L632-R634 PolarHBondContact O-N 3.12Š| ||
| 635 | P | 45.4 | Very low | 44 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 143.9 | 169.4 | -20.2 | 33.1 | 0 | 0 | 0 | 112 | ||
| 636 | A | 35.2 | Very low | 44.3 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 144.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G638 | A636-G638 PolarHBondContact O-N 3.18Š|
| 637 | P | 44.9 | Very low | 44.3 | Very low | 133 Ų | 133 | 143 Ų | 143 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 130.6 | -178.8 | -21.3 | 33.8 | 0 | 0 | 0 | 113.3 | ||
| 638 | G | 54.2 | Low | 44.9 | Very low | 58 Ų | 58 | 141.7 Ų | 141.7 | 60% | 0.598 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 162 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A636 L640 | A636-G638 PolarHBondContact O-N 3.18Å; G638-L640 PolarHBondContact O-N 2.81Å |
| 639 | P | 46.8 | Very low | 45.2 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.6 | -176.5 | -21.9 | 33.9 | 0 | 0 | 0 | 113.2 | ||
| 640 | L | 42.7 | Very low | 44.9 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 133.2 | 174.3 | -62.9 | 174.2 | 0 | 0 | 0 | 110.5 | G638 | G638-L640 PolarHBondContact O-N 2.81Š|
| 641 | R | 45.3 | Very low | 45.5 | Very low | 241 Ų | 241 | 143.2 Ų | 143.2 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -112.1 | 135.6 | 173.6 | -153.2 | 175.4 | -168.6 | -178.1 | 3.6 | 110.2 | ||||
| 642 | A | 42 | Very low | 45.5 | Very low | 102 Ų | 102 | 153.5 Ų | 153.5 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -59.8 | 144.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 643 | T | 38.2 | Very low | 45.6 | Very low | 141 Ų | 141 | 153 Ų | 153 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | trans | -74.6 | 138.6 | -180 | 42.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 644 | H | 45.3 | Very low | 45.9 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 80% | 0.801 | 82% | 0.822 | S | S | * | * | trans | -105.7 | 126.5 | 167.5 | -173.5 | -67.4 | 0 | 0 | 0 | 108.7 | ||||
| 645 | T | 45.5 | Very low | 45.7 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 63% | 0.626 | 82% | 0.819 | S | S | * | * | trans | -74.1 | 143.6 | -179.5 | 45.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 646 | P | 49.5 | Very low | 45.7 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | -80.4 | 118.3 | 172.3 | 30.9 | -31.4 | 0 | 0 | 0 | 110.1 | ||||
| 647 | I | 50.8 | Low | 46.4 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 68% | 0.682 | 82% | 0.822 | S | S | * | * | trans | -86.4 | 114.8 | 171.3 | -60.2 | 177.8 | 0 | 0 | 0 | 108.4 | F649 | I647-F649 HydrophobicContact CG2-CD2 3.95Å; I647-F649 HydrophobicContact CG2-CE2 3.71Å | ||
| 648 | I | 48.9 | Very low | 46.5 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -78.5 | 133.5 | 172.3 | -59.1 | 171.1 | 0 | 0 | 0 | 108.4 | ||||
| 649 | F | 52 | Low | 45.9 | Very low | 184 Ų | 184 | 157.4 Ų | 157.4 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | trans | -117.2 | 119.2 | 164.6 | -90.6 | -85.6 | 0 | 0 | 0 | 109.3 | I647 | I647-F649 HydrophobicContact CG2-CD2 3.95Å; I647-F649 HydrophobicContact CG2-CE2 3.71Å | ||
| 650 | S | 36.1 | Very low | 45.8 | Very low | 107 Ų | 107 | 159 Ų | 159 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | -78.6 | 154 | 167.5 | 42.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 651 | P | 59.8 | Low | 46.1 | Very low | 122 Ų | 122 | 157.3 Ų | 157.3 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | -86.8 | 147.3 | -179.3 | 34.4 | -34.5 | 0 | 0 | 0 | 113 | ||||
| 652 | Y | 39.7 | Very low | 46.2 | Very low | 306 Ų | 306 | 149.6 Ų | 149.6 | 100% | 1.2 | 81% | 0.813 | S | S | * | * | trans | -155.8 | 0 | 156.2 | -134.7 | -83.3 | 0 | 0 | 0 | 109.2 |
Retrieved 652 of 652 residues in 102.3 ms
(Link to these results)