| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.3 | Very low | 35.4 | Very low | 241 Ų | 241 | 159.5 Ų | 159.5 | 100% | 1.187 | 85% | 0.845 | S | S | * | * | 0 | 139.3 | 0 | -77.8 | 159.8 | 163.6 | 0 | 0 | 108.4 | |||||
| 2 | V | 37.9 | Very low | 35 | Very low | 126 Ų | 126 | 161.3 Ų | 161.3 | 76% | 0.764 | 85% | 0.845 | S | S | * | * | trans | 41.9 | 128.1 | 144 | -171.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 3 | Q | 38.3 | Very low | 35 | Very low | 176 Ų | 176 | 163.2 Ų | 163.2 | 82% | 0.822 | 86% | 0.855 | S | S | * | * | cis | -169.4 | 156.7 | -30.7 | -124.1 | 155.6 | -45.2 | 0 | 0 | 108.6 | ||||
| 4 | N | 35.5 | Very low | 34.6 | Very low | 143 Ų | 143 | 159.3 Ų | 159.3 | 77% | 0.765 | 85% | 0.848 | S | S | * | * | trans | -123.2 | 115.9 | 176.9 | 178.9 | 5 | 0 | 0 | 0 | 110.2 | ||||
| 5 | P | 47.4 | Very low | 34.3 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 81% | 0.812 | 85% | 0.845 | S | S | * | * | trans | -103.2 | 85.1 | 179.9 | 36.8 | -29.6 | 0 | 0 | 0 | 112.6 | ||||
| 6 | H | 32.8 | Very low | 34.2 | Very low | 158 Ų | 158 | 157.3 Ų | 157.3 | 73% | 0.731 | 85% | 0.847 | S | S | * | * | trans | -103.3 | 140.1 | 151.1 | -128.2 | -85.2 | 0 | 0 | 0 | 107.1 | ||||
| 7 | F | 31.6 | Very low | 34.2 | Very low | 207 Ų | 207 | 155.8 Ų | 155.8 | 91% | 0.908 | 85% | 0.845 | S | S | * | * | trans | 71.1 | 87.7 | -176.8 | -73 | -97 | 0 | 0 | 0 | 118.1 | ||||
| 8 | A | 34.8 | Very low | 33.9 | Very low | 107 Ų | 107 | 152.7 Ų | 152.7 | 88% | 0.884 | 84% | 0.844 | S | S | * | * | trans | -159 | 149.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 9 | S | 35.5 | Very low | 33.8 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | cis | -136.6 | 168.7 | -2.3 | 57.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 10 | W | 26.6 | Very low | 33.9 | Very low | 243 Ų | 243 | 148.6 Ų | 148.6 | 92% | 0.92 | 84% | 0.835 | S | S | * | * | trans | -117.5 | 161.1 | 160.4 | -112.2 | 56.5 | 0 | 0 | 0 | 108.1 | ||||
| 11 | T | 34.6 | Very low | 33.7 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 74% | 0.736 | 83% | 0.834 | S | S | * | * | trans | 79 | 147.3 | 169.9 | -10 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 12 | Q | 30.3 | Very low | 33.5 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | 62.5 | 83.9 | 167.7 | -63.8 | -176.9 | -91.5 | 0 | 0 | 119.2 | ||||
| 13 | L | 35.1 | Very low | 33.2 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 97% | 0.974 | 82% | 0.822 | S | S | * | * | -142.6 | 144.7 | 113.9 | -148.4 | 73.5 | 0 | 0 | 0 | 109.5 | |||||
| 14 | S | 29.3 | Very low | 33 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -145.9 | 144.4 | -166.3 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 15 | A | 29.8 | Very low | 33 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | 69.7 | 170.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 16 | Q | 33.1 | Very low | 32.1 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | 70.2 | 120.1 | -177.1 | -59.4 | -177.2 | 2.1 | 0 | 0 | 115.1 | ||||
| 17 | T | 33.9 | Very low | 32 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | cis | -145.4 | 147.2 | -6.6 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 18 | A | 29.1 | Very low | 31.9 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -73.2 | 160.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 19 | G | 32.5 | Very low | 31.6 | Very low | 65 Ų | 65 | 123.2 Ų | 123.2 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | trans | 175.2 | 101.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 20 | N | 35.7 | Very low | 31.3 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | 46 | 101.7 | 148.7 | -49 | -14.5 | 0 | 0 | 0 | 117.1 | ||||
| 21 | A | 29.5 | Very low | 31.7 | Very low | 98 Ų | 98 | 115.6 Ų | 115.6 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | cis | 71 | 120.7 | 44.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 22 | A | 30.3 | Very low | 31.6 | Very low | 106 Ų | 106 | 116.7 Ų | 116.7 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | trans | 51.8 | 120.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 23 | A | 32.1 | Very low | 31.9 | Very low | 99 Ų | 99 | 116.5 Ų | 116.5 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -157.9 | 152.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 24 | A | 33 | Very low | 32.1 | Very low | 100 Ų | 100 | 113.5 Ų | 113.5 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | 52.2 | 93 | 153.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 25 | A | 36 | Very low | 32.2 | Very low | 99 Ų | 99 | 111.7 Ų | 111.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | -80 | 178.8 | 129.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 26 | A | 28.3 | Very low | 32.4 | Very low | 106 Ų | 106 | 112.3 Ų | 112.3 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | 81.7 | 102.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 27 | A | 31.8 | Very low | 32.6 | Very low | 92 Ų | 92 | 107.3 Ų | 107.3 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -160.2 | 117 | 134.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 28 | A | 28.4 | Very low | 32.7 | Very low | 94 Ų | 94 | 105.6 Ų | 105.6 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | 58.6 | 95.3 | 71.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 29 | A | 29.5 | Very low | 33.1 | Very low | 105 Ų | 105 | 106 Ų | 106 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | 70 | 92.7 | 67.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 30 | A | 29.3 | Very low | 33.1 | Very low | 99 Ų | 99 | 113 Ų | 113 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -163.4 | 166.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 31 | A | 34.6 | Very low | 32.9 | Very low | 92 Ų | 92 | 113.5 Ų | 113.5 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | trans | 51.3 | 89 | 168 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 32 | V | 31.6 | Very low | 32.9 | Very low | 144 Ų | 144 | 117.7 Ų | 117.7 | 87% | 0.873 | 82% | 0.82 | S | S | * | * | 81.1 | 124.4 | 51.4 | -172.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 33 | H | 37 | Very low | 33.3 | Very low | 176 Ų | 176 | 118.8 Ų | 118.8 | 82% | 0.815 | 82% | 0.818 | S | S | * | * | trans | -49.1 | 171.7 | 166.6 | -87.6 | -67 | 0 | 0 | 0 | 114.2 | ||||
| 34 | P | 39.1 | Very low | 33.1 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | cis | -154 | 173.4 | 38.7 | 43.6 | -22.3 | 0 | 0 | 0 | 120.6 | ||||
| 35 | G | 32.6 | Very low | 33.1 | Very low | 71 Ų | 71 | 119.6 Ų | 119.6 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 78.9 | 167.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 36 | A | 33.8 | Very low | 32.8 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | cis | -158.7 | 142.6 | -20.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 37 | G | 36.7 | Very low | 32.8 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 162.8 | 72.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 38 | A | 35.7 | Very low | 32.7 | Very low | 96 Ų | 96 | 126 Ų | 126 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -105.4 | -162.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 39 | P | 36.9 | Very low | 32.9 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | -121.8 | 169.2 | -79.5 | 37.1 | -25.2 | 0 | 0 | 0 | 111.6 | |||||
| 40 | F | 33.2 | Very low | 33 | Very low | 213 Ų | 213 | 133 Ų | 133 | 93% | 0.934 | 79% | 0.794 | S | S | * | * | trans | -136.3 | 140.7 | 159.2 | -103.7 | -77.8 | 0 | 0 | 0 | 114.1 | ||||
| 41 | Q | 31.6 | Very low | 33 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -83.1 | 169.4 | -166.9 | -83.6 | 160 | -82.5 | 0 | 0 | 114.6 | ||||
| 42 | F | 30 | Very low | 33.1 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 82% | 0.82 | 80% | 0.795 | S | S | * | * | trans | -38.3 | 160.1 | 162.9 | -57.1 | -91.9 | 0 | 0 | 0 | 114.6 | ||||
| 43 | P | 37.8 | Very low | 33.3 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | -112.8 | 146.8 | 106.8 | 31.8 | -35.1 | 0 | 0 | 0 | 114.2 | |||||
| 44 | N | 28.1 | Very low | 33.3 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -81.7 | 174.9 | 169 | 176.2 | 32.7 | 0 | 0 | 0 | 110.5 | ||||
| 45 | A | 32.8 | Very low | 33.1 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 56% | 0.562 | 78% | 0.783 | S | S | * | * | trans | 104.3 | 108.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 46 | N | 29.6 | Very low | 33.3 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | 71.4 | 122.9 | 119.5 | -62.6 | -9.5 | 0 | 0 | 0 | 121.7 | |||||
| 47 | S | 29.1 | Very low | 33.5 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | 78.9 | 133.8 | 127.5 | -65.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 48 | F | 30.2 | Very low | 33.4 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | 15.2 | 109.3 | 131.8 | -69.7 | -97.7 | 0 | 0 | 0 | 117.7 | ||||
| 49 | Q | 31.4 | Very low | 33.4 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | -168.3 | 132.9 | 113.8 | -105 | 153.8 | 84 | 0 | 0 | 112.2 | |||||
| 50 | H | 31.6 | Very low | 33.3 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -150.3 | 51.9 | 148.8 | -155.4 | -65.8 | 0 | 0 | 0 | 111.3 | ||||
| 51 | L | 30.4 | Very low | 33.4 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -112.5 | 129.1 | 153.8 | -83.1 | 171.7 | 0 | 0 | 0 | 107 | ||||
| 52 | Q | 36.8 | Very low | 33.6 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -93.1 | 138.2 | -174.4 | -69 | 170 | -54 | 0 | 0 | 110.6 | ||||
| 53 | S | 36.1 | Very low | 33.7 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 71.3 | 156.9 | 151.8 | -61.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 54 | P | 36.7 | Very low | 33.7 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | -125.1 | -173.5 | -136.5 | 45 | -34.2 | 0 | 0 | 0 | 115.6 | ||||
| 55 | D | 34.9 | Very low | 34 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 72 | 92.2 | 151.4 | -58.4 | -31.6 | 0 | 0 | 0 | 120.6 | ||||
| 56 | S | 36.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | 96.7 | 150.6 | 118.9 | 85.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 57 | S | 37.6 | Very low | 34.3 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | 76 | 100.2 | 149 | -47.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 58 | T | 34.6 | Very low | 34.4 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | 75.5 | 90.3 | 122.4 | -48.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 59 | A | 36.2 | Very low | 34.8 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | 73.6 | 143.7 | 124.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 60 | T | 34.4 | Very low | 35.3 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 68.4 | 109.5 | 149.2 | 39.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 61 | S | 35.2 | Very low | 35.4 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | 88.3 | 116.4 | 121.2 | -62.9 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 62 | R | 35.1 | Very low | 35.8 | Very low | 230 Ų | 230 | 124.7 Ų | 124.7 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | trans | 69.7 | 97 | 134.1 | -69.5 | -174.7 | 174.6 | 174.1 | -1.2 | 119.8 | ||||
| 63 | S | 32.6 | Very low | 35.7 | Very low | 96 Ų | 96 | 123 Ų | 123 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | 81.6 | 135.7 | 112.4 | 70.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 64 | V | 37.1 | Very low | 35.9 | Very low | 127 Ų | 127 | 120 Ų | 120 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | 71.8 | 139 | 152.4 | -64.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 65 | N | 33.9 | Very low | 36 | Very low | 132 Ų | 132 | 122 Ų | 122 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 95.6 | 116.9 | 143.6 | -74.1 | -12.8 | 0 | 0 | 0 | 122.3 | ||||
| 66 | L | 37.5 | Very low | 36.2 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | 71.6 | 111.7 | 125.5 | -61.1 | 167.6 | 0 | 0 | 0 | 120.6 | |||||
| 67 | D | 31.3 | Very low | 36.4 | Very low | 129 Ų | 129 | 120.7 Ų | 120.7 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | 71.7 | 148.4 | 124.1 | -60.8 | -6.4 | 0 | 0 | 0 | 123.5 | |||||
| 68 | N | 31.6 | Very low | 36.5 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | trans | 77.2 | 118.6 | 156 | -64.8 | -35.2 | 0 | 0 | 0 | 121.2 | ||||
| 69 | S | 38.1 | Very low | 36.6 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -61.7 | 169.6 | 151 | -23.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 70 | P | 42.4 | Very low | 36.6 | Very low | 121 Ų | 121 | 124 Ų | 124 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | -133.3 | -139.6 | 52.9 | 32.2 | -6.8 | 0 | 0 | 0 | 111.5 | |||||
| 71 | S | 34.2 | Very low | 36.7 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | cis | -163.5 | 148.1 | 6.1 | 9.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 72 | V | 37.8 | Very low | 36.5 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | 36.9 | 121.7 | 130.5 | -167 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 73 | S | 36.6 | Very low | 36.5 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | -173.4 | 153.2 | 90.9 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 74 | G | 39.1 | Very low | 36.7 | Very low | 56 Ų | 56 | 123.5 Ų | 123.5 | 58% | 0.577 | 73% | 0.731 | S | S | * | * | cis | 168.8 | 177.5 | -4.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 75 | T | 38.7 | Very low | 36.6 | Very low | 145 Ų | 145 | 122.3 Ų | 122.3 | 89% | 0.89 | 73% | 0.728 | S | S | * | * | trans | 63.6 | 142.5 | 164.9 | 48.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 76 | S | 40.4 | Very low | 36.8 | Very low | 87 Ų | 87 | 121.5 Ų | 121.5 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | cis | -164.4 | 164.9 | -6.6 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 77 | N | 40.1 | Very low | 36.7 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | 72.3 | 139.3 | 157.3 | -55.7 | -20.5 | 0 | 0 | 0 | 118.6 | ||||
| 78 | N | 40.6 | Very low | 37.1 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -160.1 | 139.8 | -8.5 | -111.3 | -12 | 0 | 0 | 0 | 112.6 | ||||
| 79 | F | 36 | Very low | 37.2 | Very low | 184 Ų | 184 | 121 Ų | 121 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | 54.8 | 148.8 | 140.4 | -81.8 | -120.9 | 0 | 0 | 0 | 121.8 | ||||
| 80 | S | 36.9 | Very low | 37 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 54% | 0.538 | 73% | 0.733 | S | S | . | * | cis | -176.2 | 149.9 | -20.4 | -109.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 81 | L | 35.7 | Very low | 36.7 | Very low | 162 Ų | 162 | 121 Ų | 121 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | trans | 60 | 151.6 | 149.9 | -57.6 | 165.8 | 0 | 0 | 0 | 119.7 | ||||
| 82 | G | 29.9 | Very low | 36.6 | Very low | 58 Ų | 58 | 124.9 Ų | 124.9 | 60% | 0.598 | 74% | 0.742 | S | S | * | * | cis | 129.9 | 133.9 | -11.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 83 | L | 36.9 | Very low | 36.6 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | 72.4 | 157.6 | 174.5 | -40.8 | 170.6 | 0 | 0 | 0 | 114.1 | ||||
| 84 | Q | 35.7 | Very low | 36.5 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | cis | -142.2 | 159.1 | 9.7 | -64.5 | 173.5 | 3.3 | 0 | 0 | 112.1 | ||||
| 85 | S | 35.9 | Very low | 36.5 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 61.3 | 156.6 | 146.5 | 66.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 86 | T | 37.4 | Very low | 36.7 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | cis | -162.7 | 115 | -40.2 | 34.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 87 | T | 36.4 | Very low | 37.2 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | trans | 64 | -178.8 | 152.7 | 72.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 88 | P | 38.2 | Very low | 37.8 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | -132.1 | 156.6 | -100.5 | 36.6 | -17.6 | 0 | 0 | 0 | 116.2 | |||||
| 89 | L | 35.1 | Very low | 38.4 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -178.2 | 125 | 140.4 | -100.6 | 158.1 | 0 | 0 | 0 | 113.5 | ||||
| 90 | T | 34 | Very low | 39.7 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | 23.4 | 145.7 | 148.5 | 50.8 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 91 | S | 35.9 | Very low | 41.3 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | 77.8 | 117.4 | 174.7 | 75.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 92 | Q | 31.8 | Very low | 43.1 | Very low | 178 Ų | 178 | 125.1 Ų | 125.1 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | cis | 78.8 | 71.5 | 41.7 | -64.2 | -79 | 2.9 | 0 | 0 | 114.4 | ||||
| 93 | H | 37.5 | Very low | 45.2 | Very low | 186 Ų | 186 | 125.7 Ų | 125.7 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | -161 | 156.3 | 149.2 | -114.5 | -83.1 | 0 | 0 | 0 | 111.2 | ||||
| 94 | S | 35.1 | Very low | 47.4 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | 76.1 | 145.7 | -176.2 | -35.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 95 | I | 38.9 | Very low | 49.7 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 81% | 0.805 | 69% | 0.688 | S | S | * | * | cis | -132.7 | 112.9 | 7.9 | -56 | 163.2 | 0 | 0 | 0 | 110.7 | ||||
| 96 | P | 42.3 | Very low | 52 | Low | 102 Ų | 102 | 123.1 Ų | 123.1 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | trans | -133.5 | 83 | 165.2 | 35.9 | -19 | 0 | 0 | 0 | 112 | ||||
| 97 | S | 50.1 | Low | 54.4 | Low | 78 Ų | 78 | 123.3 Ų | 123.3 | 55% | 0.545 | 68% | 0.676 | S | S | . | * | trans | -139.4 | -47.5 | -175.2 | -48.7 | 0 | 0 | 0 | 0 | 115.6 | H100 A101 | S97-H100 PolarHBondContact O-N 3.33Å; S97-A101 PolarHBondContact O-N 2.93Å | ||
| 98 | Q | 52.7 | Low | 56.9 | Low | 167 Ų | 167 | 123 Ų | 123 | 78% | 0.78 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.5 | -40.8 | -172.3 | -70.6 | -176.9 | -10.7 | 0 | 0 | 113.9 | H100 A101 Q102 | Q98-H100 VanDerWaalsContact C-N 3.26Å; Q98-H100 PolarHBondContact O-N 3.32Å; Q98-A101 PolarHBondContact O-N 3.46Å; Q98-Q102 PolarHBondContact O-N 3.42Å |
| 99 | T | 54.2 | Low | 59.4 | Low | 108 Ų | 108 | 123.5 Ų | 123.5 | 66% | 0.663 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63.5 | -33.7 | 175.4 | 48.2 | 0 | 0 | 0 | 0 | 112.2 | S103 | T99-S103 WeakPolarHBondContact O-CB 3.48Å; T99-S103 PolarHBondContact O-N 3.11Å |
| 100 | H | 62.2 | Low | 61.9 | Low | 117 Ų | 117 | 120.9 Ų | 120.9 | 54% | 0.542 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.4 | -36.3 | 178.7 | -133.3 | -61.1 | 0 | 0 | 0 | 112.1 | S97 Q98 S103 Q104 | S97-H100 PolarHBondContact O-N 3.33Å; Q98-H100 VanDerWaalsContact C-N 3.26Å; Q98-H100 PolarHBondContact O-N 3.32Å; H100-S103 PolarHBondContact O-N 3.42Å; H100-Q104 WeakPolarHBondContact O-CB 3.41Å; H100-Q104 WeakPolarHBondContact O-CG 3.46Å; H100-Q104 PolarHBondContact O-N 3.41Å |
| 101 | A | 71.4 | Confident | 64.7 | Low | 53 Ų | 53 | 120.7 Ų | 120.7 | 44% | 0.438 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.1 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S97 Q98 S103 Q104 Q105 | S97-A101 PolarHBondContact O-N 2.93Å; Q98-A101 PolarHBondContact O-N 3.46Å; A101-S103 PolarHBondContact O-N 3.08Å; A101-Q104 PolarHBondContact O-N 3.38Å; A101-Q105 PolarHBondContact O-N 2.96Å |
| 102 | Q | 73.4 | Confident | 67.4 | Low | 144 Ų | 144 | 120.4 Ų | 120.4 | 67% | 0.673 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.4 | -39.3 | 174.7 | -72.6 | -174.8 | -18.9 | 0 | 0 | 112.1 | Q98 Q105 H106 | Q98-Q102 PolarHBondContact O-N 3.42Å; Q102-Q105 PolarHBondContact O-N 3.02Å; Q102-H106 PolarHBondContact O-N 3.2Å |
| 103 | S | 75 | Confident | 70.2 | Confident | 70 Ų | 70 | 117.9 Ų | 117.9 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62 | -43 | 174.2 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | T99 H100 A101 H106 Q107 | T99-S103 WeakPolarHBondContact O-CB 3.48Å; T99-S103 PolarHBondContact O-N 3.11Å; H100-S103 PolarHBondContact O-N 3.42Å; A101-S103 PolarHBondContact O-N 3.08Å; S103-H106 PolarHBondContact O-N 2.83Å; S103-Q107 WeakPolarHBondContact O-CB 3.48Å; S103-Q107 PolarHBondContact O-N 2.94Å |
| 104 | Q | 83.2 | Confident | 72.8 | Confident | 102 Ų | 102 | 112.4 Ų | 112.4 | 48% | 0.477 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.5 | -43 | 174.8 | -77.9 | 175.6 | -8.4 | 0 | 0 | 112.7 | H100 A101 H106 Q107 Q108 | H100-Q104 WeakPolarHBondContact O-CB 3.41Å; H100-Q104 WeakPolarHBondContact O-CG 3.46Å; H100-Q104 PolarHBondContact O-N 3.41Å; A101-Q104 PolarHBondContact O-N 3.38Å; Q104-H106 PolarHBondContact O-N 3.09Å; Q104-Q107 PolarHBondContact O-N 3.48Å; Q104-Q108 WeakPolarHBondContact O-CG 3.46Å; Q104-Q108 PolarHBondContact O-N 3.15Å |
| 105 | Q | 82.6 | Confident | 75.5 | Confident | 139 Ų | 139 | 113.6 Ų | 113.6 | 65% | 0.65 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60 | -44 | 173.9 | -89.5 | -166.5 | -34.4 | 0 | 0 | 112 | A101 Q102 Q107 Q108 L109 | A101-Q105 PolarHBondContact O-N 2.96Å; Q102-Q105 PolarHBondContact O-N 3.02Å; Q105-Q107 VanDerWaalsContact C-N 3.32Å; Q105-Q107 PolarHBondContact O-N 3.1Å; Q105-Q108 PolarHBondContact O-N 3.08Å; Q105-L109 WeakPolarHBondContact O-CB 3.44Å; Q105-L109 PolarHBondContact O-N 3.37Å |
| 106 | H | 84 | Confident | 78 | Confident | 133 Ų | 133 | 109.4 Ų | 109.4 | 62% | 0.616 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.6 | -38.1 | 177.4 | -162 | 88.6 | 0 | 0 | 0 | 111.8 | Q102 S103 Q104 L109 H110 | Q102-H106 PolarHBondContact O-N 3.2Å; S103-H106 PolarHBondContact O-N 2.83Å; Q104-H106 PolarHBondContact O-N 3.09Å; H106-L109 PolarHBondContact O-N 3.31Å; H106-H110 WeakPolarHBondContact O-CB 3.4Å; H106-H110 PolarHBondContact O-N 3.06Å |
| 107 | Q | 88.9 | Confident | 80.4 | Confident | 118 Ų | 118 | 110.3 Ų | 110.3 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.2 | -32.4 | 175.6 | -166.9 | 177.9 | 12.3 | 0 | 0 | 112.9 | S103 Q104 Q105 Q111 | S103-Q107 WeakPolarHBondContact O-CB 3.48Å; S103-Q107 PolarHBondContact O-N 2.94Å; Q104-Q107 PolarHBondContact O-N 3.48Å; Q105-Q107 VanDerWaalsContact C-N 3.32Å; Q105-Q107 PolarHBondContact O-N 3.1Å; Q107-Q111 WeakPolarHBondContact O-CB 3.17Å; Q107-Q111 WeakPolarHBondContact O-CG 3.34Å; Q107-Q111 PolarHBondContact O-N 3.39Å; Q107-Q111 VanDerWaalsContact O-N 3.11Å; Q107-Q111 PolarHBondContact O-NE2 3.04Å; Q107-Q111 VanDerWaalsContact O-NE2 3.13Å |
| 108 | Q | 89.4 | Confident | 82.4 | Confident | 126 Ų | 126 | 112.4 Ų | 112.4 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.7 | -46.6 | 171.6 | -74.7 | 176.2 | -1.8 | 0 | 0 | 111.4 | Q104 Q105 H110 Q111 H112 | Q104-Q108 WeakPolarHBondContact O-CG 3.46Å; Q104-Q108 PolarHBondContact O-N 3.15Å; Q105-Q108 PolarHBondContact O-N 3.08Å; Q108-H110 VanDerWaalsContact C-N 3.31Å; Q108-H110 PolarHBondContact O-N 3.44Å; Q108-Q111 PolarHBondContact O-N 2.95Å; Q108-H112 PolarHBondContact O-N 3.1Å |
| 109 | L | 89.6 | Confident | 84.3 | Confident | 120 Ų | 120 | 110.2 Ų | 110.2 | 63% | 0.628 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 176.3 | -167.7 | 94.7 | 0 | 0 | 0 | 111.4 | Q105 H106 H112 Q113 | Q105-L109 WeakPolarHBondContact O-CB 3.44Å; Q105-L109 PolarHBondContact O-N 3.37Å; H106-L109 PolarHBondContact O-N 3.31Å; L109-H112 PolarHBondContact O-N 3.44Å; L109-Q113 PolarHBondContact O-N 3.35Å |
| 110 | H | 88.7 | Confident | 86.2 | Confident | 104 Ų | 104 | 110.4 Ų | 110.4 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 178.1 | -169.3 | 58.5 | 0 | 0 | 0 | 112.3 | H106 Q108 Q113 I114 | H106-H110 WeakPolarHBondContact O-CB 3.4Å; H106-H110 PolarHBondContact O-N 3.06Å; Q108-H110 VanDerWaalsContact C-N 3.31Å; Q108-H110 PolarHBondContact O-N 3.44Å; H110-Q113 PolarHBondContact O-N 3.17Å; H110-I114 WeakPolarHBondContact O-CG1 3.37Å; H110-I114 PolarHBondContact O-N 2.86Å |
| 111 | Q | 91.6 | Very high | 87.5 | Confident | 115 Ų | 115 | 111.1 Ų | 111.1 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 173 | -78.4 | 176 | 99.9 | 0 | 0 | 112.4 | Q107 Q108 I114 Q115 | Q107-Q111 WeakPolarHBondContact O-CB 3.17Å; Q107-Q111 WeakPolarHBondContact O-CG 3.34Å; Q107-Q111 PolarHBondContact O-N 3.39Å; Q107-Q111 VanDerWaalsContact O-N 3.11Å; Q107-Q111 PolarHBondContact O-NE2 3.04Å; Q107-Q111 VanDerWaalsContact O-NE2 3.13Å; Q108-Q111 PolarHBondContact O-N 2.95Å; Q111-I114 PolarHBondContact O-N 3.4Å; Q111-Q115 WeakPolarHBondContact O-CB 3.48Å; Q111-Q115 PolarHBondContact O-N 2.77Å |
| 112 | H | 92.4 | Very high | 88.6 | Confident | 107 Ų | 107 | 113.6 Ų | 113.6 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 176 | -172.3 | 65.4 | 0 | 0 | 0 | 112 | Q108 L109 Q115 L116 | Q108-H112 PolarHBondContact O-N 3.1Å; L109-H112 PolarHBondContact O-N 3.44Å; H112-Q115 PolarHBondContact O-N 3.34Å; H112-L116 WeakPolarHBondContact O-CG 3.47Å; H112-L116 PolarHBondContact O-N 3.2Å |
| 113 | Q | 91.7 | Very high | 89.5 | Confident | 126 Ų | 126 | 112.4 Ų | 112.4 | 59% | 0.589 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 173.8 | -175.2 | 175.5 | 69.8 | 0 | 0 | 112.3 | L109 H110 Q117 | L109-Q113 PolarHBondContact O-N 3.35Å; H110-Q113 PolarHBondContact O-N 3.17Å; Q113-Q117 WeakPolarHBondContact O-CB 3.4Å; Q113-Q117 PolarHBondContact O-N 3.23Å |
| 114 | I | 92 | Very high | 90.3 | Very high | 70 Ų | 70 | 114.8 Ų | 114.8 | 36% | 0.359 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.2 | -70.1 | 164.6 | 0 | 0 | 0 | 110.8 | H110 Q111 Q117 Q118 | H110-I114 WeakPolarHBondContact O-CG1 3.37Å; H110-I114 PolarHBondContact O-N 2.86Å; Q111-I114 PolarHBondContact O-N 3.4Å; I114-Q117 PolarHBondContact O-N 3.12Å; I114-Q118 HydrophobicContact CG2-CG 4.49Å; I114-Q118 WeakPolarHBondContact O-CG 3.4Å; I114-Q118 PolarHBondContact O-N 3.4Å |
| 115 | Q | 91.8 | Very high | 90.7 | Very high | 129 Ų | 129 | 115.8 Ų | 115.8 | 60% | 0.603 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.5 | -42.1 | 179.6 | -167.8 | 177.2 | 12.4 | 0 | 0 | 112.1 | Q111 H112 Q118 Q119 | Q111-Q115 WeakPolarHBondContact O-CB 3.48Å; Q111-Q115 PolarHBondContact O-N 2.77Å; H112-Q115 PolarHBondContact O-N 3.34Å; Q115-Q118 PolarHBondContact O-N 2.93Å; Q115-Q119 WeakPolarHBondContact O-CB 3.44Å; Q115-Q119 PolarHBondContact O-N 3.16Å |
| 116 | L | 92.1 | Very high | 91.3 | Very high | 69 Ų | 69 | 112.9 Ų | 112.9 | 36% | 0.361 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 171.7 | -77 | 166.2 | 0 | 0 | 0 | 111.9 | H112 Q119 Q120 | H112-L116 WeakPolarHBondContact O-CG 3.47Å; H112-L116 PolarHBondContact O-N 3.2Å; L116-Q119 PolarHBondContact O-N 3.15Å; L116-Q120 WeakPolarHBondContact O-CG 3.39Å; L116-Q120 PolarHBondContact O-N 3.36Å |
| 117 | Q | 91.7 | Very high | 91.7 | Very high | 122 Ų | 122 | 111 Ų | 111 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.1 | -37.9 | 178.3 | -175.4 | 161.1 | 88.8 | 0 | 0 | 112.4 | Q113 I114 Q120 Q121 | Q113-Q117 WeakPolarHBondContact O-CB 3.4Å; Q113-Q117 PolarHBondContact O-N 3.23Å; I114-Q117 PolarHBondContact O-N 3.12Å; Q117-Q120 PolarHBondContact O-N 2.92Å; Q117-Q121 WeakPolarHBondContact O-CG 3.35Å; Q117-Q121 PolarHBondContact O-N 3.21Å |
| 118 | Q | 93 | Very high | 91.9 | Very high | 121 Ų | 121 | 109.1 Ų | 109.1 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.4 | -41.6 | 171.7 | -71.5 | 178.7 | 20.6 | 0 | 0 | 111.7 | I114 Q115 Q120 Q121 H122 | I114-Q118 HydrophobicContact CG2-CG 4.49Å; I114-Q118 WeakPolarHBondContact O-CG 3.4Å; I114-Q118 PolarHBondContact O-N 3.4Å; Q115-Q118 PolarHBondContact O-N 2.93Å; Q118-Q120 PolarHBondContact O-N 3.26Å; Q118-Q121 PolarHBondContact O-N 3.01Å; Q118-H122 WeakPolarHBondContact O-CB 3.48Å; Q118-H122 PolarHBondContact O-N 2.94Å |
| 119 | Q | 92.8 | Very high | 92.1 | Very high | 121 Ų | 121 | 109.3 Ų | 109.3 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 176.1 | -170.4 | -176.5 | 49.9 | 0 | 0 | 111.7 | Q115 L116 H122 Q123 | Q115-Q119 WeakPolarHBondContact O-CB 3.44Å; Q115-Q119 PolarHBondContact O-N 3.16Å; L116-Q119 PolarHBondContact O-N 3.15Å; Q119-H122 PolarHBondContact O-N 3.48Å; Q119-Q123 WeakPolarHBondContact O-CG 3.48Å; Q119-Q123 PolarHBondContact O-N 3.02Å |
| 120 | Q | 92.3 | Very high | 92.2 | Very high | 113 Ų | 113 | 110 Ų | 110 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 174.9 | -72.8 | 179.6 | -0.1 | 0 | 0 | 112.3 | L116 Q117 Q118 Q123 H124 | L116-Q120 WeakPolarHBondContact O-CG 3.39Å; L116-Q120 PolarHBondContact O-N 3.36Å; Q117-Q120 PolarHBondContact O-N 2.92Å; Q118-Q120 PolarHBondContact O-N 3.26Å; Q120-Q123 PolarHBondContact O-N 2.97Å; Q120-H124 WeakPolarHBondContact O-CB 3.49Å; Q120-H124 PolarHBondContact O-N 3.31Å |
| 121 | Q | 91 | Very high | 92.3 | Very high | 131 Ų | 131 | 109.8 Ų | 109.8 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | 175.4 | -75.1 | -173.9 | -4.9 | 0 | 0 | 112.4 | Q117 Q118 H124 Q125 | Q117-Q121 WeakPolarHBondContact O-CG 3.35Å; Q117-Q121 PolarHBondContact O-N 3.21Å; Q118-Q121 PolarHBondContact O-N 3.01Å; Q121-H124 PolarHBondContact O-N 3.26Å; Q121-Q125 WeakPolarHBondContact O-CB 3.37Å; Q121-Q125 PolarHBondContact O-N 2.86Å |
| 122 | H | 93.4 | Very high | 92.3 | Very high | 105 Ų | 105 | 107.9 Ų | 107.9 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 176.6 | -173 | 55 | 0 | 0 | 0 | 112.3 | Q118 Q119 H124 Q125 L126 | Q118-H122 WeakPolarHBondContact O-CB 3.48Å; Q118-H122 PolarHBondContact O-N 2.94Å; Q119-H122 PolarHBondContact O-N 3.48Å; H122-H124 PolarHBondContact O-N 3.38Å; H122-Q125 WeakPolarHBondContact O-CB 3.48Å; H122-Q125 PolarHBondContact O-N 3.36Å; H122-L126 WeakPolarHBondContact O-CG 3.38Å; H122-L126 PolarHBondContact O-N 2.84Å |
| 123 | Q | 92.1 | Very high | 92.2 | Very high | 120 Ų | 120 | 108.2 Ų | 108.2 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -42.8 | 172.7 | -73.2 | -67.8 | -17.9 | 0 | 0 | 112 | Q119 Q120 L126 Q127 | Q119-Q123 WeakPolarHBondContact O-CG 3.48Å; Q119-Q123 PolarHBondContact O-N 3.02Å; Q120-Q123 PolarHBondContact O-N 2.97Å; Q123-L126 PolarHBondContact O-N 2.77Å; Q123-Q127 PolarHBondContact O-N 3.28Å |
| 124 | H | 91.9 | Very high | 92.2 | Very high | 119 Ų | 119 | 106.7 Ų | 106.7 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -38.2 | 175.4 | -173.9 | 59.1 | 0 | 0 | 0 | 112.5 | Q120 Q121 H122 Q127 L128 | Q120-H124 WeakPolarHBondContact O-CB 3.49Å; Q120-H124 PolarHBondContact O-N 3.31Å; Q121-H124 PolarHBondContact O-N 3.26Å; H122-H124 PolarHBondContact O-N 3.38Å; H124-Q127 PolarHBondContact O-N 3.03Å; H124-L128 WeakPolarHBondContact O-CB 3.35Å; H124-L128 PolarHBondContact O-N 3.16Å |
| 125 | Q | 92.9 | Very high | 92.1 | Very high | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -42.6 | 174.5 | -177.3 | 179.5 | 51.9 | 0 | 0 | 112.2 | Q121 H122 L128 Q129 | Q121-Q125 WeakPolarHBondContact O-CB 3.37Å; Q121-Q125 PolarHBondContact O-N 2.86Å; H122-Q125 WeakPolarHBondContact O-CB 3.48Å; H122-Q125 PolarHBondContact O-N 3.36Å; Q125-L128 PolarHBondContact O-N 3.49Å; Q125-Q129 WeakPolarHBondContact O-CB 3.48Å; Q125-Q129 PolarHBondContact O-N 3.03Å |
| 126 | L | 94.2 | Very high | 92.1 | Very high | 78 Ų | 78 | 109.3 Ų | 109.3 | 41% | 0.408 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 174.1 | -77.9 | 161.7 | 0 | 0 | 0 | 111.6 | H122 Q123 L128 Q129 Q130 | H122-L126 WeakPolarHBondContact O-CG 3.38Å; H122-L126 PolarHBondContact O-N 2.84Å; Q123-L126 PolarHBondContact O-N 2.77Å; L126-L128 PolarHBondContact O-N 2.96Å; L126-Q129 PolarHBondContact O-N 3.41Å; L126-Q130 WeakPolarHBondContact O-CB 3.35Å; L126-Q130 PolarHBondContact O-N 3.32Å |
| 127 | Q | 92.6 | Very high | 92.1 | Very high | 93 Ų | 93 | 110.9 Ų | 110.9 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 177.2 | -169.1 | 179.4 | 27.4 | 0 | 0 | 111.8 | Q123 H124 Q130 Q131 | Q123-Q127 PolarHBondContact O-N 3.28Å; H124-Q127 PolarHBondContact O-N 3.03Å; Q127-Q130 PolarHBondContact O-N 3.14Å; Q127-Q131 PolarHBondContact O-N 3.31Å |
| 128 | L | 92.3 | Very high | 92 | Very high | 80 Ų | 80 | 108.7 Ų | 108.7 | 42% | 0.419 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 177.1 | -176.3 | 63.8 | 0 | 0 | 0 | 112 | H124 Q125 L126 Q131 I132 | H124-L128 WeakPolarHBondContact O-CB 3.35Å; H124-L128 PolarHBondContact O-N 3.16Å; Q125-L128 PolarHBondContact O-N 3.49Å; L126-L128 PolarHBondContact O-N 2.96Å; L128-Q131 PolarHBondContact O-N 3.24Å; L128-I132 HydrophobicContact CD1-CD1 4.42Å; L128-I132 HydrophobicContact CG-CD1 4.06Å; L128-I132 VanDerWaalsContact O-CG1 3.31Å; L128-I132 WeakPolarHBondContact O-CG1 3.27Å; L128-I132 PolarHBondContact O-N 3.37Å |
| 129 | Q | 93.3 | Very high | 91.9 | Very high | 130 Ų | 130 | 108 Ų | 108 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 176.5 | -175.9 | 169.5 | 93.2 | 0 | 0 | 111.6 | Q125 L126 I132 Q133 | Q125-Q129 WeakPolarHBondContact O-CB 3.48Å; Q125-Q129 PolarHBondContact O-N 3.03Å; L126-Q129 PolarHBondContact O-N 3.41Å; Q129-I132 PolarHBondContact O-N 3.12Å; Q129-Q133 WeakPolarHBondContact O-CB 3.49Å; Q129-Q133 PolarHBondContact O-N 2.96Å |
| 130 | Q | 93.5 | Very high | 91.8 | Very high | 133 Ų | 133 | 110.5 Ų | 110.5 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 173.5 | -173 | 178.5 | 90.9 | 0 | 0 | 111.7 | L126 Q127 Q133 L134 | L126-Q130 WeakPolarHBondContact O-CB 3.35Å; L126-Q130 PolarHBondContact O-N 3.32Å; Q127-Q130 PolarHBondContact O-N 3.14Å; Q130-Q133 PolarHBondContact O-N 3.38Å; Q130-L134 PolarHBondContact O-N 3.39Å |
| 131 | Q | 90.1 | Very high | 91.7 | Very high | 101 Ų | 101 | 111.3 Ų | 111.3 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.2 | -168.2 | 179.8 | 36.8 | 0 | 0 | 112.1 | Q127 L128 L134 Q135 | Q127-Q131 PolarHBondContact O-N 3.31Å; L128-Q131 PolarHBondContact O-N 3.24Å; Q131-L134 PolarHBondContact O-N 3.5Å; Q131-Q135 WeakPolarHBondContact O-CB 3.33Å; Q131-Q135 PolarHBondContact O-N 3.47Å |
| 132 | I | 90.3 | Very high | 91.6 | Very high | 74 Ų | 74 | 108.9 Ų | 108.9 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.9 | -69.7 | 165 | 0 | 0 | 0 | 110.7 | L128 Q129 L134 Q135 Q136 | L128-I132 HydrophobicContact CD1-CD1 4.42Å; L128-I132 HydrophobicContact CG-CD1 4.06Å; L128-I132 VanDerWaalsContact O-CG1 3.31Å; L128-I132 WeakPolarHBondContact O-CG1 3.27Å; L128-I132 PolarHBondContact O-N 3.37Å; Q129-I132 PolarHBondContact O-N 3.12Å; I132-L134 PolarHBondContact O-N 2.92Å; I132-Q135 PolarHBondContact O-N 3.33Å; I132-Q136 WeakPolarHBondContact O-CG 3.46Å; I132-Q136 PolarHBondContact O-N 3.38Å |
| 133 | Q | 91.6 | Very high | 91.4 | Very high | 114 Ų | 114 | 109 Ų | 109 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.2 | -168.6 | 179.1 | 20 | 0 | 0 | 111.8 | Q129 Q130 Q136 Q137 | Q129-Q133 WeakPolarHBondContact O-CB 3.49Å; Q129-Q133 PolarHBondContact O-N 2.96Å; Q130-Q133 PolarHBondContact O-N 3.38Å; Q133-Q136 PolarHBondContact O-N 3.27Å; Q133-Q137 WeakPolarHBondContact O-CG 3.11Å; Q133-Q137 PolarHBondContact O-N 3.31Å |
| 134 | L | 91 | Very high | 91.3 | Very high | 95 Ų | 95 | 108.6 Ų | 108.6 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 175.5 | -142.5 | 87 | 0 | 0 | 0 | 111.6 | Q130 Q131 I132 Q137 Q138 | Q130-L134 PolarHBondContact O-N 3.39Å; Q131-L134 PolarHBondContact O-N 3.5Å; I132-L134 PolarHBondContact O-N 2.92Å; L134-Q137 PolarHBondContact O-N 3.31Å; L134-Q138 WeakPolarHBondContact O-CG 3.14Å; L134-Q138 PolarHBondContact O-N 3.01Å |
| 135 | Q | 89.6 | Confident | 91.1 | Very high | 134 Ų | 134 | 108.8 Ų | 108.8 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -39.9 | 176.8 | -175.3 | 175.5 | 74.1 | 0 | 0 | 112 | Q131 I132 Q138 F139 | Q131-Q135 WeakPolarHBondContact O-CB 3.33Å; Q131-Q135 PolarHBondContact O-N 3.47Å; I132-Q135 PolarHBondContact O-N 3.33Å; Q135-Q138 PolarHBondContact O-N 3.43Å; Q135-F139 WeakPolarHBondContact O-CB 3.33Å; Q135-F139 PolarHBondContact O-N 3.3Å |
| 136 | Q | 92 | Very high | 90.7 | Very high | 120 Ų | 120 | 109 Ų | 109 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -37.6 | 173.4 | -71.7 | -177.6 | 29.3 | 0 | 0 | 112.4 | I132 Q133 R140 | I132-Q136 WeakPolarHBondContact O-CG 3.46Å; I132-Q136 PolarHBondContact O-N 3.38Å; Q133-Q136 PolarHBondContact O-N 3.27Å; Q136-R140 WeakPolarHBondContact O-CB 3.36Å; Q136-R140 PolarHBondContact O-N 3.38Å |
| 137 | Q | 92.1 | Very high | 90.4 | Very high | 102 Ų | 102 | 110.3 Ų | 110.3 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 173.5 | -73.6 | -178.7 | -1.3 | 0 | 0 | 111.8 | Q133 L134 F139 R140 Q141 | Q133-Q137 WeakPolarHBondContact O-CG 3.11Å; Q133-Q137 PolarHBondContact O-N 3.31Å; L134-Q137 PolarHBondContact O-N 3.31Å; Q137-F139 PolarHBondContact O-N 3.44Å; Q137-R140 PolarHBondContact O-N 3.07Å; Q137-Q141 WeakPolarHBondContact O-CG 3.44Å; Q137-Q141 PolarHBondContact O-N 3.23Å |
| 138 | Q | 90.8 | Very high | 90.1 | Very high | 75 Ų | 75 | 108.6 Ų | 108.6 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 174.9 | -73.2 | 178.9 | -14.6 | 0 | 0 | 112 | L134 Q135 Q141 Q142 | L134-Q138 WeakPolarHBondContact O-CG 3.14Å; L134-Q138 PolarHBondContact O-N 3.01Å; Q135-Q138 PolarHBondContact O-N 3.43Å; Q138-Q141 PolarHBondContact O-N 2.87Å; Q138-Q142 WeakPolarHBondContact O-CG 3.28Å; Q138-Q142 PolarHBondContact O-N 3.32Å |
| 139 | F | 90.3 | Very high | 89.6 | Confident | 106 Ų | 106 | 109 Ų | 109 | 47% | 0.465 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 176.7 | -174.4 | -107 | 0 | 0 | 0 | 112 | Q135 Q137 Q141 Q142 Q143 | Q135-F139 WeakPolarHBondContact O-CB 3.33Å; Q135-F139 PolarHBondContact O-N 3.3Å; Q137-F139 PolarHBondContact O-N 3.44Å; F139-Q141 PolarHBondContact O-N 2.86Å; F139-Q142 PolarHBondContact O-N 3.16Å; F139-Q143 HydrophobicContact CD1-CG 4.41Å; F139-Q143 HydrophobicContact CE1-CG 4.11Å; F139-Q143 VanDerWaalsContact CE1-NE2 3.33Å; F139-Q143 HydrophobicContact CZ-CG 4.29Å; F139-Q143 WeakPolarHBondContact O-CG 3.44Å; F139-Q143 PolarHBondContact O-N 3.04Å |
| 140 | R | 90 | Very high | 89.2 | Confident | 175 Ų | 175 | 108.4 Ų | 108.4 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 174 | -173.7 | -179.1 | -66.5 | -162.5 | -0.3 | 112 | Q136 Q137 Q143 L144 | Q136-R140 WeakPolarHBondContact O-CB 3.36Å; Q136-R140 PolarHBondContact O-N 3.38Å; Q137-R140 PolarHBondContact O-N 3.07Å; R140-Q143 PolarHBondContact O-N 2.64Å; R140-L144 HydrophobicContact CG-CD1 4.22Å; R140-L144 WeakPolarHBondContact O-CG 3.41Å; R140-L144 PolarHBondContact O-N 3Å |
| 141 | Q | 90.1 | Very high | 88.7 | Confident | 129 Ų | 129 | 106.7 Ų | 106.7 | 60% | 0.603 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 175.2 | -72.1 | 178.9 | 25.3 | 0 | 0 | 111.6 | Q137 Q138 F139 Q143 L144 Q145 | Q137-Q141 WeakPolarHBondContact O-CG 3.44Å; Q137-Q141 PolarHBondContact O-N 3.23Å; Q138-Q141 PolarHBondContact O-N 2.87Å; F139-Q141 PolarHBondContact O-N 2.86Å; Q141-Q143 PolarHBondContact O-N 3.5Å; Q141-L144 PolarHBondContact O-N 3.13Å; Q141-Q145 WeakPolarHBondContact O-CB 3.4Å; Q141-Q145 PolarHBondContact O-N 3.28Å |
| 142 | Q | 89 | Confident | 88.2 | Confident | 81 Ų | 81 | 107.2 Ų | 107.2 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 174.9 | -72 | 176.4 | 12.5 | 0 | 0 | 112.2 | Q138 F139 Q145 Q146 | Q138-Q142 WeakPolarHBondContact O-CG 3.28Å; Q138-Q142 PolarHBondContact O-N 3.32Å; F139-Q142 PolarHBondContact O-N 3.16Å; Q142-Q145 PolarHBondContact O-N 2.86Å; Q142-Q146 WeakPolarHBondContact O-CB 3.42Å; Q142-Q146 WeakPolarHBondContact O-CG 2.96Å; Q142-Q146 PolarHBondContact O-N 3.11Å |
| 143 | Q | 89.7 | Confident | 87.5 | Confident | 106 Ų | 106 | 106.4 Ų | 106.4 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.3 | -75.3 | -172.4 | -35.9 | 0 | 0 | 112.4 | F139 R140 Q141 Q145 Q146 H147 | F139-Q143 HydrophobicContact CD1-CG 4.41Å; F139-Q143 HydrophobicContact CE1-CG 4.11Å; F139-Q143 VanDerWaalsContact CE1-NE2 3.33Å; F139-Q143 HydrophobicContact CZ-CG 4.29Å; F139-Q143 WeakPolarHBondContact O-CG 3.44Å; F139-Q143 PolarHBondContact O-N 3.04Å; R140-Q143 PolarHBondContact O-N 2.64Å; Q141-Q143 PolarHBondContact O-N 3.5Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-Q145 PolarHBondContact O-N 3.23Å; Q143-Q146 PolarHBondContact O-N 3.27Å; Q143-H147 WeakPolarHBondContact O-CB 3.44Å; Q143-H147 PolarHBondContact O-N 3.45Å |
| 144 | L | 89.8 | Confident | 86.6 | Confident | 112 Ų | 112 | 109.5 Ų | 109.5 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 176.2 | -72.4 | 169.4 | 0 | 0 | 0 | 111.8 | R140 Q141 H147 S148 | R140-L144 HydrophobicContact CG-CD1 4.22Å; R140-L144 WeakPolarHBondContact O-CG 3.41Å; R140-L144 PolarHBondContact O-N 3Å; Q141-L144 PolarHBondContact O-N 3.13Å; L144-H147 PolarHBondContact O-N 3.25Å; L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 3.27Å |
| 145 | Q | 87.5 | Confident | 85.6 | Confident | 123 Ų | 123 | 112.2 Ų | 112.2 | 58% | 0.575 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.4 | -39.6 | 178.6 | -162.7 | 165 | 25.7 | 0 | 0 | 112 | Q141 Q142 Q143 S148 L149 | Q141-Q145 WeakPolarHBondContact O-CB 3.4Å; Q141-Q145 PolarHBondContact O-N 3.28Å; Q142-Q145 PolarHBondContact O-N 2.86Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-Q145 PolarHBondContact O-N 3.23Å; Q145-S148 PolarHBondContact O-N 2.95Å; Q145-L149 WeakPolarHBondContact O-CG 3.47Å; Q145-L149 PolarHBondContact O-N 3.33Å |
| 146 | Q | 84.9 | Confident | 84.3 | Confident | 129 Ų | 129 | 110.3 Ų | 110.3 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 170.2 | -73.5 | 176.8 | 25.6 | 0 | 0 | 111.9 | Q142 Q143 S148 L149 Q150 | Q142-Q146 WeakPolarHBondContact O-CB 3.42Å; Q142-Q146 WeakPolarHBondContact O-CG 2.96Å; Q142-Q146 PolarHBondContact O-N 3.11Å; Q143-Q146 PolarHBondContact O-N 3.27Å; Q146-S148 VanDerWaalsContact C-N 3.34Å; Q146-S148 PolarHBondContact O-N 3.46Å; Q146-L149 PolarHBondContact O-N 3.49Å; Q146-Q150 WeakPolarHBondContact O-CB 3.45Å; Q146-Q150 PolarHBondContact O-N 3.48Å |
| 147 | H | 88.7 | Confident | 82.4 | Confident | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -32.8 | 177.6 | -170.6 | -118.9 | 0 | 0 | 0 | 112.6 | Q143 L144 Q151 | Q143-H147 WeakPolarHBondContact O-CB 3.44Å; Q143-H147 PolarHBondContact O-N 3.45Å; L144-H147 PolarHBondContact O-N 3.25Å; H147-Q151 PolarHBondContact CE1-NE2 3.47Å; H147-Q151 VanDerWaalsContact CE1-NE2 3.3Å; H147-Q151 PolarHBondContact ND1-NE2 2.91Å; H147-Q151 VanDerWaalsContact ND1-NE2 3.19Å; H147-Q151 WeakPolarHBondContact O-CG 3.39Å; H147-Q151 PolarHBondContact O-N 2.81Å; H147-Q151 PolarHBondContact O-NE2 3.47Å |
| 148 | S | 84.9 | Confident | 80.7 | Confident | 56 Ų | 56 | 107.7 Ų | 107.7 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -48.9 | 172.1 | -171.3 | 0 | 0 | 0 | 0 | 111.6 | L144 Q145 Q146 Q150 Q151 Q152 | L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 3.27Å; Q145-S148 PolarHBondContact O-N 2.95Å; Q146-S148 VanDerWaalsContact C-N 3.34Å; Q146-S148 PolarHBondContact O-N 3.46Å; S148-Q150 VanDerWaalsContact C-N 3.29Å; S148-Q150 PolarHBondContact O-N 2.9Å; S148-Q151 PolarHBondContact O-N 3.02Å; S148-Q151 VanDerWaalsContact O-N 3.17Å; S148-Q152 WeakPolarHBondContact O-CG 3.46Å; S148-Q152 PolarHBondContact O-N 3.48Å |
| 149 | L | 83.6 | Confident | 78.9 | Confident | 90 Ų | 90 | 107.9 Ų | 107.9 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 174.9 | -70.8 | 167.1 | 0 | 0 | 0 | 111.9 | Q145 Q146 Q152 A153 | Q145-L149 WeakPolarHBondContact O-CG 3.47Å; Q145-L149 PolarHBondContact O-N 3.33Å; Q146-L149 PolarHBondContact O-N 3.49Å; L149-Q152 PolarHBondContact O-N 2.88Å; L149-A153 WeakPolarHBondContact O-CB 3.37Å; L149-A153 PolarHBondContact O-N 2.64Å |
| 150 | Q | 83.1 | Confident | 77.1 | Confident | 117 Ų | 117 | 108.9 Ų | 108.9 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.3 | -27.8 | 178.1 | -164.5 | 170.7 | 52.2 | 0 | 0 | 113.1 | Q146 S148 R154 | Q146-Q150 WeakPolarHBondContact O-CB 3.45Å; Q146-Q150 PolarHBondContact O-N 3.48Å; S148-Q150 VanDerWaalsContact C-N 3.29Å; S148-Q150 PolarHBondContact O-N 2.9Å; Q150-R154 WeakPolarHBondContact O-CG 3.37Å; Q150-R154 PolarHBondContact O-N 2.96Å |
| 151 | Q | 83.1 | Confident | 75.2 | Confident | 96 Ų | 96 | 104.5 Ų | 104.5 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.1 | -45.1 | 168.3 | -79.9 | 174.8 | 83 | 0 | 0 | 111.5 | H147 S148 A153 R154 L155 | H147-Q151 PolarHBondContact CE1-NE2 3.47Å; H147-Q151 VanDerWaalsContact CE1-NE2 3.3Å; H147-Q151 PolarHBondContact ND1-NE2 2.91Å; H147-Q151 VanDerWaalsContact ND1-NE2 3.19Å; H147-Q151 WeakPolarHBondContact O-CG 3.39Å; H147-Q151 PolarHBondContact O-N 2.81Å; H147-Q151 PolarHBondContact O-NE2 3.47Å; S148-Q151 PolarHBondContact O-N 3.02Å; S148-Q151 VanDerWaalsContact O-N 3.17Å; Q151-A153 VanDerWaalsContact C-N 3.3Å; Q151-A153 PolarHBondContact O-N 3.14Å; Q151-R154 PolarHBondContact O-N 3.06Å; Q151-R154 VanDerWaalsContact O-N 3.1Å; Q151-L155 WeakPolarHBondContact O-CG 3.38Å; Q151-L155 PolarHBondContact O-N 2.9Å |
| 152 | Q | 81.3 | Confident | 73.5 | Confident | 113 Ų | 113 | 105.3 Ų | 105.3 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -56.8 | -44.7 | 174.6 | -71.8 | 174 | -20.2 | 0 | 0 | 111.3 | S148 L149 R154 L155 S156 | S148-Q152 WeakPolarHBondContact O-CG 3.46Å; S148-Q152 PolarHBondContact O-N 3.48Å; L149-Q152 PolarHBondContact O-N 2.88Å; Q152-R154 VanDerWaalsContact C-N 3.31Å; Q152-R154 PolarHBondContact O-N 3.02Å; Q152-L155 PolarHBondContact O-N 3.33Å; Q152-L155 VanDerWaalsContact O-N 3.16Å; Q152-S156 PolarHBondContact O-N 2.67Å; Q152-S156 PolarHBondContact O-OG 2.8Å |
| 153 | A | 75.2 | Confident | 72 | Confident | 56 Ų | 56 | 107.6 Ų | 107.6 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.1 | -28.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L149 Q151 S156 | L149-A153 WeakPolarHBondContact O-CB 3.37Å; L149-A153 PolarHBondContact O-N 2.64Å; Q151-A153 VanDerWaalsContact C-N 3.3Å; Q151-A153 PolarHBondContact O-N 3.14Å; A153-S156 PolarHBondContact O-OG 2.91Å |
| 154 | R | 71.2 | Confident | 70.2 | Confident | 180 Ų | 180 | 109.2 Ų | 109.2 | 68% | 0.679 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.9 | -40.5 | 171.2 | -72.8 | 177.2 | -165.3 | -105.1 | 7.2 | 111.8 | Q150 Q151 Q152 S156 N157 | Q150-R154 WeakPolarHBondContact O-CG 3.37Å; Q150-R154 PolarHBondContact O-N 2.96Å; Q151-R154 PolarHBondContact O-N 3.06Å; Q151-R154 VanDerWaalsContact O-N 3.1Å; Q152-R154 VanDerWaalsContact C-N 3.31Å; Q152-R154 PolarHBondContact O-N 3.02Å; R154-S156 VanDerWaalsContact C-N 3.35Å; R154-N157 CarbonylContact O-C 3.39Å; R154-N157 PolarHBondContact O-N 3.26Å |
| 155 | L | 70.9 | Confident | 68.9 | Low | 151 Ų | 151 | 110.8 Ų | 110.8 | 79% | 0.791 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69 | -32.2 | -179.6 | -68.9 | 170.5 | 0 | 0 | 0 | 112.4 | Q151 Q152 N157 | Q151-L155 WeakPolarHBondContact O-CG 3.38Å; Q151-L155 PolarHBondContact O-N 2.9Å; Q152-L155 PolarHBondContact O-N 3.33Å; Q152-L155 VanDerWaalsContact O-N 3.16Å; L155-N157 VanDerWaalsContact C-N 3.35Å |
| 156 | S | 62.6 | Low | 67.8 | Low | 95 Ų | 95 | 111.2 Ų | 111.2 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -5.4 | 176.4 | 60.7 | 0 | 0 | 0 | 0 | 114.9 | Q152 A153 R154 | Q152-S156 PolarHBondContact O-N 2.67Å; Q152-S156 PolarHBondContact O-OG 2.8Å; A153-S156 PolarHBondContact O-OG 2.91Å; R154-S156 VanDerWaalsContact C-N 3.35Å |
| 157 | N | 51.2 | Low | 66.9 | Low | 66 Ų | 66 | 111.1 Ų | 111.1 | 35% | 0.353 | 57% | 0.571 | S | S | . | * | trans | -141.9 | 73.8 | 179.1 | -167.9 | -2.5 | 0 | 0 | 0 | 112.6 | R154 L155 S159 | R154-N157 CarbonylContact O-C 3.39Å; R154-N157 PolarHBondContact O-N 3.26Å; L155-N157 VanDerWaalsContact C-N 3.35Å; N157-S159 PolarHBondContact O-N 3.25Å | ||
| 158 | P | 57.4 | Low | 65.7 | Low | 100 Ų | 100 | 111.3 Ų | 111.3 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -15.1 | -178.4 | 27.8 | -35.9 | 0 | 0 | 0 | 114.2 | P161 | P158-P161 WeakPolarHBondContact O-CD 3.47Š|
| 159 | S | 53.3 | Low | 65.1 | Low | 79 Ų | 79 | 114.8 Ų | 114.8 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -24.1 | -174.1 | -49.1 | 0 | 0 | 0 | 0 | 114.1 | N157 | N157-S159 PolarHBondContact O-N 3.25Š|
| 160 | Q | 51.4 | Low | 64.3 | Low | 128 Ų | 128 | 116.6 Ų | 116.6 | 60% | 0.598 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.3 | -39.5 | -169.2 | -148 | 171.6 | 27.9 | 0 | 0 | 116.3 | Q162 Q164 | Q160-Q162 PolarHBondContact O-N 3.35Å; Q160-Q164 PolarHBondContact O-N 2.94Å |
| 161 | P | 51.6 | Low | 63.2 | Low | 82 Ų | 82 | 117.7 Ų | 117.7 | 53% | 0.532 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.3 | -30.7 | -176.8 | 24.9 | -33.6 | 0 | 0 | 0 | 114 | P158 Q164 Q165 | P158-P161 WeakPolarHBondContact O-CD 3.47Å; P161-Q164 PolarHBondContact O-N 2.98Å; P161-Q165 PolarHBondContact O-N 3.35Å; P161-Q165 VanDerWaalsContact O-N 3.11Å |
| 162 | Q | 53 | Low | 62 | Low | 146 Ų | 146 | 119.2 Ų | 119.2 | 68% | 0.682 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.1 | -46.4 | 178.9 | -77.2 | -172.3 | -25 | 0 | 0 | 112.1 | Q160 Q164 Q165 Q166 | Q160-Q162 PolarHBondContact O-N 3.35Å; Q162-Q164 VanDerWaalsContact C-N 3.33Å; Q162-Q164 PolarHBondContact O-N 3.4Å; Q162-Q165 PolarHBondContact O-N 3.15Å; Q162-Q166 WeakPolarHBondContact O-CB 3.43Å; Q162-Q166 PolarHBondContact O-N 3.45Å |
| 163 | Q | 57.2 | Low | 60.8 | Low | 129 Ų | 129 | 120.9 Ų | 120.9 | 60% | 0.603 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.4 | -40.6 | 178.5 | -73.2 | -170.5 | -16 | 0 | 0 | 112.2 | Q166 Q167 | Q163-Q166 PolarHBondContact O-N 3.28Å; Q163-Q167 WeakPolarHBondContact O-CG 3.39Å; Q163-Q167 PolarHBondContact O-N 3.08Å |
| 164 | Q | 52.5 | Low | 59.8 | Low | 140 Ų | 140 | 128.3 Ų | 128.3 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.2 | -35.6 | -179.8 | -166.8 | 163.6 | 51.8 | 0 | 0 | 112.3 | Q160 P161 Q162 L168 | Q160-Q164 PolarHBondContact O-N 2.94Å; P161-Q164 PolarHBondContact O-N 2.98Å; Q162-Q164 VanDerWaalsContact C-N 3.33Å; Q162-Q164 PolarHBondContact O-N 3.4Å; Q164-L168 WeakPolarHBondContact O-CB 3.21Å; Q164-L168 PolarHBondContact O-N 2.96Å; Q164-L168 VanDerWaalsContact O-N 3.1Å |
| 165 | Q | 62.7 | Low | 58.1 | Low | 145 Ų | 145 | 127.1 Ų | 127.1 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 172.7 | -164.8 | 171.6 | 22.3 | 0 | 0 | 111.9 | P161 Q162 L168 H169 | P161-Q165 PolarHBondContact O-N 3.35Å; P161-Q165 VanDerWaalsContact O-N 3.11Å; Q162-Q165 PolarHBondContact O-N 3.15Å; Q165-L168 PolarHBondContact O-N 3.28Å; Q165-H169 PolarHBondContact O-N 2.99Å; Q165-H169 VanDerWaalsContact O-N 3.09Å |
| 166 | Q | 65.1 | Low | 56.6 | Low | 132 Ų | 132 | 125.1 Ų | 125.1 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.3 | -39.8 | 178.6 | -158.6 | 168.1 | 30.8 | 0 | 0 | 112.4 | Q162 Q163 H169 Q170 | Q162-Q166 WeakPolarHBondContact O-CB 3.43Å; Q162-Q166 PolarHBondContact O-N 3.45Å; Q163-Q166 PolarHBondContact O-N 3.28Å; Q166-H169 PolarHBondContact O-N 3.48Å; Q166-Q170 PolarHBondContact O-N 3.33Å; Q166-Q170 VanDerWaalsContact O-N 3.15Å |
| 167 | Q | 64.4 | Low | 55.7 | Low | 128 Ų | 128 | 127.1 Ų | 127.1 | 60% | 0.598 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.4 | -41.7 | 172 | -74.6 | 179.3 | -5.8 | 0 | 0 | 112.3 | Q163 H169 Q170 H171 | Q163-Q167 WeakPolarHBondContact O-CG 3.39Å; Q163-Q167 PolarHBondContact O-N 3.08Å; Q167-H169 VanDerWaalsContact C-N 3.29Å; Q167-H169 PolarHBondContact O-N 3.32Å; Q167-Q170 PolarHBondContact O-N 3.13Å; Q167-H171 PolarHBondContact O-N 3.05Å |
| 168 | L | 64.7 | Low | 55 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.8 | -35.7 | 177.9 | -167 | 143.7 | 0 | 0 | 0 | 111.6 | Q164 Q165 H171 L172 | Q164-L168 WeakPolarHBondContact O-CB 3.21Å; Q164-L168 PolarHBondContact O-N 2.96Å; Q164-L168 VanDerWaalsContact O-N 3.1Å; Q165-L168 PolarHBondContact O-N 3.28Å; L168-H171 PolarHBondContact O-N 3.35Å; L168-L172 HydrophobicContact CD2-CD1 3.92Å; L168-L172 HydrophobicContact CG-CD1 4.38Å; L168-L172 WeakPolarHBondContact O-CD1 3.46Å; L168-L172 PolarHBondContact O-N 3.14Å |
| 169 | H | 72.6 | Confident | 54.1 | Low | 128 Ų | 128 | 131 Ų | 131 | 59% | 0.593 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.8 | -39.2 | 173.8 | -142.6 | 101.2 | 0 | 0 | 0 | 112.6 | Q165 Q166 Q167 | Q165-H169 PolarHBondContact O-N 2.99Å; Q165-H169 VanDerWaalsContact O-N 3.09Å; Q166-H169 PolarHBondContact O-N 3.48Å; Q167-H169 VanDerWaalsContact C-N 3.29Å; Q167-H169 PolarHBondContact O-N 3.32Å |
| 170 | Q | 66.6 | Low | 53.1 | Low | 129 Ų | 129 | 136.8 Ų | 136.8 | 60% | 0.603 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68.8 | -32.1 | 174.4 | -70.2 | -177.6 | 3.3 | 0 | 0 | 113 | Q166 Q167 | Q166-Q170 PolarHBondContact O-N 3.33Å; Q166-Q170 VanDerWaalsContact O-N 3.15Å; Q167-Q170 PolarHBondContact O-N 3.13Å |
| 171 | H | 58.6 | Low | 52.2 | Low | 139 Ų | 139 | 135.7 Ų | 135.7 | 64% | 0.644 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -75.3 | -35.2 | -178.1 | -158.4 | 41.8 | 0 | 0 | 0 | 112.9 | Q167 L168 Q173 R174 | Q167-H171 PolarHBondContact O-N 3.05Å; L168-H171 PolarHBondContact O-N 3.35Å; H171-Q173 VanDerWaalsContact C-N 3.26Å; H171-Q173 PolarHBondContact O-N 2.87Å; H171-R174 PolarHBondContact O-N 3.1Å |
| 172 | L | 59.4 | Low | 51.5 | Low | 128 Ų | 128 | 140.3 Ų | 140.3 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -64.1 | -28 | 174.9 | -97.8 | 71.1 | 0 | 0 | 0 | 113.3 | L168 R174 | L168-L172 HydrophobicContact CD2-CD1 3.92Å; L168-L172 HydrophobicContact CG-CD1 4.38Å; L168-L172 WeakPolarHBondContact O-CD1 3.46Å; L168-L172 PolarHBondContact O-N 3.14Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 3.46Å |
| 173 | Q | 56.3 | Low | 50.6 | Low | 149 Ų | 149 | 141.4 Ų | 141.4 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 2.8 | -179.6 | -66.8 | -176.5 | -1.4 | 0 | 0 | 114.3 | H171 | H171-Q173 VanDerWaalsContact C-N 3.26Å; H171-Q173 PolarHBondContact O-N 2.87Å |
| 174 | R | 53.6 | Low | 49.5 | Very low | 212 Ų | 212 | 143.5 Ų | 143.5 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 22.8 | -174.4 | -77.8 | -171.6 | 163.8 | -87.8 | 0.9 | 115.6 | H171 L172 P176 | H171-R174 PolarHBondContact O-N 3.1Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 3.46Å; R174-P176 WeakPolarHBondContact O-CD 3.02Å |
| 175 | Q | 35.9 | Very low | 48.7 | Very low | 154 Ų | 154 | 144 Ų | 144 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | -90.2 | 115 | 171.3 | -70.7 | -69.2 | -12.4 | 0 | 0 | 111.2 | ||||
| 176 | P | 39.4 | Very low | 47.7 | Very low | 110 Ų | 110 | 142 Ų | 142 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -81 | 133.8 | 177.5 | 32 | -33.3 | 0 | 0 | 0 | 112 | R174 | R174-P176 WeakPolarHBondContact O-CD 3.02Š|
| 177 | V | 41.9 | Very low | 46.2 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 135.6 | 175 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 178 | V | 37.3 | Very low | 44.9 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -102 | 116.5 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 179 | P | 38 | Very low | 43.6 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 150.1 | 175.8 | 33.3 | -33 | 0 | 0 | 0 | 112.5 | ||
| 180 | Q | 33.8 | Very low | 41.9 | Very low | 202 Ų | 202 | 142.4 Ų | 142.4 | 94% | 0.944 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 160.3 | 173.5 | -70 | -177.7 | -70.6 | 0 | 0 | 112.3 | ||
| 181 | S | 30.7 | Very low | 40.3 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 138.6 | -176.4 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 182 | Q | 37.2 | Very low | 39.1 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -168.5 | 138.2 | 140.8 | -108.4 | 146.5 | 107.2 | 0 | 0 | 114 | ||||
| 183 | Q | 34.5 | Very low | 38 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 39.8 | 121.1 | 154.5 | -67.9 | 178.7 | -62.2 | 0 | 0 | 123.2 | ||||
| 184 | M | 34.1 | Very low | 36.7 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | 57.9 | 98.3 | 131.8 | -56.6 | -56.3 | -169.8 | 0 | 0 | 121.3 | ||||
| 185 | N | 36.2 | Very low | 35.8 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | 0.6 | 159.4 | 124.1 | -85.7 | -2.5 | 0 | 0 | 0 | 119.9 | |||||
| 186 | P | 41 | Very low | 35.8 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | cis | -140.9 | -173 | -33.7 | 37.9 | -18.7 | 0 | 0 | 0 | 112.5 | ||||
| 187 | I | 34.8 | Very low | 35.6 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | 168.5 | 143.9 | 130.2 | -86.9 | 160 | 0 | 0 | 0 | 112.9 | ||||
| 188 | S | 35.3 | Very low | 35.2 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -39.7 | 153 | -178.8 | -43.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 189 | G | 38 | Very low | 35.2 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 161 | 73.4 | 167 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 190 | I | 37.3 | Very low | 35.2 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | 89.1 | 124.1 | 85.6 | -71.4 | 167.1 | 0 | 0 | 0 | 114.6 | |||||
| 191 | S | 32.8 | Very low | 35.4 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | 55.8 | 122.6 | 162.4 | -156 | 0 | 0 | 0 | 0 | 119 | ||||
| 192 | L | 34.5 | Very low | 35.5 | Very low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | cis | 78.3 | 148.9 | 47.5 | -70.2 | 172.6 | 0 | 0 | 0 | 116.2 | ||||
| 193 | Q | 35.5 | Very low | 35.4 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 86.5 | 153.9 | 177 | -59.6 | -176.2 | -4.9 | 0 | 0 | 117 | ||||
| 194 | T | 29.2 | Very low | 35.9 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | -178.8 | 173.4 | -59 | 29.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 195 | T | 35 | Very low | 35.8 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | 70.5 | 153.5 | 165.9 | 66.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 196 | S | 35.5 | Very low | 35.8 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | cis | -169.3 | 165.9 | -26.1 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 197 | T | 35.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 131 Ų | 131 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | trans | 63.6 | 122.9 | 143.2 | 46.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 198 | N | 33.5 | Very low | 35.5 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 53.4 | 127.2 | 130.9 | -67.3 | -22 | 0 | 0 | 0 | 123.3 | ||||
| 199 | T | 37 | Very low | 35.6 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | -156.3 | 176.3 | 108 | -0.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 200 | S | 37.1 | Very low | 35.6 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -135.1 | -168.3 | -158.5 | -45.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 201 | Q | 38.1 | Very low | 35.6 | Very low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | 91.9 | 155 | 167.9 | -54.6 | 173.5 | 11.3 | 0 | 0 | 117.4 | ||||
| 202 | S | 34.3 | Very low | 35.7 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | -175 | 134.7 | -57 | 46.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 203 | L | 35.3 | Very low | 35.8 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | trans | 68.9 | 162.5 | 146.2 | -68.1 | 174.3 | 0 | 0 | 0 | 120.6 | ||||
| 204 | P | 43.1 | Very low | 36 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | trans | -138.9 | -149.6 | -146.8 | 39.7 | -16.2 | 0 | 0 | 0 | 115.7 | ||||
| 205 | I | 32.7 | Very low | 36.3 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 101.3 | 131.1 | 162.6 | -54.7 | 160.4 | 0 | 0 | 0 | 116.9 | ||||
| 206 | V | 36.6 | Very low | 36.4 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | 175.5 | 153.3 | 127.8 | 154.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 207 | L | 35.2 | Very low | 36.3 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | -105.4 | 159.1 | -176.9 | -80.4 | 62.3 | 0 | 0 | 0 | 111.7 | ||||
| 208 | D | 34.7 | Very low | 36.9 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | 176.4 | 177.1 | 125.3 | -99.5 | -35.1 | 0 | 0 | 0 | 113 | |||||
| 209 | T | 37.6 | Very low | 37 | Very low | 100 Ų | 100 | 132 Ų | 132 | 61% | 0.613 | 78% | 0.779 | S | S | * | * | -151 | 163.3 | -83.2 | 29.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 210 | T | 38.1 | Very low | 36.9 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | 67.9 | 157.6 | 172.1 | 76.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 211 | G | 37.5 | Very low | 36.6 | Very low | 63 Ų | 63 | 134.7 Ų | 134.7 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | cis | 174.2 | 142.3 | -12.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 212 | F | 35 | Very low | 36.4 | Very low | 219 Ų | 219 | 131.3 Ų | 131.3 | 96% | 0.961 | 77% | 0.765 | S | S | * | * | trans | 54 | 136.3 | 155.6 | -73.2 | -88.5 | 0 | 0 | 0 | 124.7 | ||||
| 213 | G | 35.9 | Very low | 36.4 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | 104.4 | 149.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 214 | M | 38.7 | Very low | 36.6 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 80% | 0.803 | 77% | 0.766 | S | S | * | * | cis | -173.7 | 135.7 | -39.8 | -110.1 | -75.7 | 173.7 | 0 | 0 | 109.9 | ||||
| 215 | Q | 35.7 | Very low | 36.2 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 74 | 156.8 | 154.5 | -57.1 | -177.6 | 27.1 | 0 | 0 | 124.3 | ||||
| 216 | S | 36.7 | Very low | 36.3 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | 69.1 | 85.7 | 153 | 43.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 217 | S | 34.1 | Very low | 36.4 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | 33.4 | 155.7 | 109.1 | -60.3 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 218 | P | 48.9 | Very low | 36.2 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -112.6 | 178.3 | -157.3 | 43.6 | -35.5 | 0 | 0 | 0 | 115.9 | ||||
| 219 | T | 34.9 | Very low | 36.1 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -160.7 | 112.1 | 164.5 | -88.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 220 | I | 35.8 | Very low | 36.1 | Very low | 131 Ų | 131 | 133 Ų | 133 | 67% | 0.672 | 77% | 0.774 | S | S | * | * | 66.6 | 124.6 | 125.1 | -63.5 | 178.7 | 0 | 0 | 0 | 123.2 | |||||
| 221 | Q | 30.4 | Very low | 35.7 | Very low | 173 Ų | 173 | 131 Ų | 131 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | 62 | 168.5 | 150.4 | -71.2 | 165.5 | -0.1 | 0 | 0 | 118.1 | ||||
| 222 | T | 33.8 | Very low | 35.8 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | cis | -164.2 | 163.5 | -5.4 | 13.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 223 | T | 34.3 | Very low | 35.7 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | cis | -158.6 | 162.7 | -2.1 | -0.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 224 | P | 38.4 | Very low | 35.5 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -92.5 | 148.1 | -179.7 | 35.8 | -33.8 | 0 | 0 | 0 | 114.9 | ||||
| 225 | A | 35.7 | Very low | 35.3 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -153.7 | 123.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 226 | V | 34.9 | Very low | 35.3 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | 40.1 | 103.8 | 134.6 | -166.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 227 | H | 37.6 | Very low | 35.4 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | 178.9 | 122.3 | 113.8 | -125.7 | 79.2 | 0 | 0 | 0 | 107.4 | |||||
| 228 | N | 32.2 | Very low | 35.4 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | cis | 79.6 | 139.6 | 47.1 | -166 | 34 | 0 | 0 | 0 | 114.2 | ||||
| 229 | Q | 32 | Very low | 34.8 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | 87.8 | 144.7 | 172.4 | -56.8 | -82.9 | 25.2 | 0 | 0 | 120.4 | ||||
| 230 | L | 37 | Very low | 34.9 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | 76.3 | 112.6 | 154.3 | -67 | 148.5 | 0 | 0 | 0 | 121.6 | ||||
| 231 | S | 29.6 | Very low | 35 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -105.4 | -176.4 | 156.1 | -60.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 232 | P | 40.6 | Very low | 35 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | -131.9 | 143.5 | -56.7 | 34.9 | -20.3 | 0 | 0 | 0 | 112.7 | |||||
| 233 | R | 32.9 | Very low | 35.7 | Very low | 250 Ų | 250 | 137.5 Ų | 137.5 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | trans | -162.9 | 164.8 | 152.9 | -122.6 | 164.8 | 170.4 | 154.4 | -4.6 | 115.4 | ||||
| 234 | T | 30.8 | Very low | 35.6 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -81.5 | 175.1 | -167.7 | 48.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 235 | S | 34.9 | Very low | 35.5 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 87.4 | 143.7 | 165.7 | -37.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 236 | I | 36.6 | Very low | 35.6 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | cis | -140.3 | 152.2 | 15.4 | -73.8 | -178.6 | 0 | 0 | 0 | 110.9 | ||||
| 237 | L | 37.6 | Very low | 35.3 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | 5.4 | 159.9 | 155 | -48.8 | 168.9 | 0 | 0 | 0 | 120.8 | ||||
| 238 | N | 35.1 | Very low | 35.3 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -159.7 | 165.6 | 11.2 | -138.9 | -1 | 0 | 0 | 0 | 107.7 | ||||
| 239 | V | 35.8 | Very low | 35.4 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | -170.2 | 140.5 | 65.2 | 166.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 240 | T | 37.8 | Very low | 35.4 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | trans | -1.2 | 130.2 | 167.1 | 63.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 241 | N | 36.5 | Very low | 35.5 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | -162 | 142.3 | 104 | -120.9 | -54.5 | 0 | 0 | 0 | 111.8 | |||||
| 242 | F | 31 | Very low | 35.5 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -165 | 161.1 | -169.3 | -116.8 | -64.6 | 0 | 0 | 0 | 114.2 | ||||
| 243 | P | 49.1 | Very low | 35 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | -138.2 | 150.9 | 120.2 | 41 | -30.8 | 0 | 0 | 0 | 112.6 | |||||
| 244 | S | 32.5 | Very low | 35.1 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 56% | 0.559 | 76% | 0.759 | S | S | * | * | cis | 73.7 | 140.2 | 34.6 | -46.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 245 | F | 35.4 | Very low | 35 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 89% | 0.886 | 75% | 0.753 | S | S | * | * | cis | -145.5 | 172.5 | 11.8 | -79.1 | -74.4 | 0 | 0 | 0 | 108.6 | ||||
| 246 | A | 37.1 | Very low | 34.8 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | cis | -162.8 | 175.8 | -10.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 247 | T | 29.5 | Very low | 34.5 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 91% | 0.908 | 75% | 0.751 | S | S | * | * | trans | -139.5 | 135.9 | 178.8 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 248 | A | 37.2 | Very low | 34.1 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | trans | -155.8 | 109.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 249 | T | 34.3 | Very low | 33.7 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | 52.3 | 156.3 | 133.6 | 17.4 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 250 | T | 31.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -85.2 | 177.4 | -177.2 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 251 | P | 39.7 | Very low | 33 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | cis | -154 | 167.3 | 26.8 | 46.7 | -25.1 | 0 | 0 | 0 | 121.7 | ||||
| 252 | V | 29.4 | Very low | 32.7 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | 43.3 | 131.9 | 132.1 | -178.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 253 | K | 30 | Very low | 33.1 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | trans | 84 | 140.3 | 152.3 | -90.5 | 167 | -169.8 | 169.4 | 0 | 120.8 | ||||
| 254 | Q | 34.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | trans | 72.8 | 148.6 | 146.5 | -78.4 | -166.7 | 100.9 | 0 | 0 | 118 | ||||
| 255 | K | 30.2 | Very low | 32.2 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 61% | 0.613 | 75% | 0.754 | S | S | * | * | cis | -169.6 | 149.5 | -21.5 | -140.7 | -171.2 | -158.2 | 146.1 | 0 | 107.6 | ||||
| 256 | R | 30.8 | Very low | 31.9 | Very low | 201 Ų | 201 | 137 Ų | 137 | 76% | 0.758 | 74% | 0.742 | S | S | * | * | trans | 61.8 | 170.6 | 160.1 | -65.9 | 175.5 | 169.8 | 176 | -5 | 113.9 | ||||
| 257 | K | 28.5 | Very low | 31.6 | Very low | 165 Ų | 165 | 138 Ų | 138 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | cis | -152.2 | 129.9 | -28.9 | -119.2 | 179.3 | 172.8 | -170.5 | 0 | 107.4 | ||||
| 258 | S | 29.1 | Very low | 31.7 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | 57.9 | -161.2 | 147.8 | -44.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 259 | K | 27.9 | Very low | 31.1 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | cis | -150.8 | 146.7 | -15.6 | -154.5 | -168.9 | -179.6 | -173.3 | 0 | 106.8 | ||||
| 260 | T | 28.5 | Very low | 31 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | trans | 61.6 | 166.7 | 157.7 | 34.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 261 | T | 29.8 | Very low | 30.7 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | cis | -148.9 | 164.4 | -3.5 | -6.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 262 | S | 30.2 | Very low | 30.4 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | 23.9 | 140 | 131.5 | -118.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 263 | K | 38.9 | Very low | 30.4 | Very low | 196 Ų | 196 | 136 Ų | 136 | 85% | 0.852 | 71% | 0.714 | S | S | * | * | cis | -140.9 | 148.2 | 34.7 | -70.5 | 179 | 176.9 | 175.8 | 0 | 114.3 | ||||
| 264 | K | 28.1 | Very low | 30.2 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | trans | -83.2 | 159.5 | 158.4 | -157.5 | -177.8 | 172.2 | -169.7 | 0 | 108.4 | Q266 | K264-Q266 HydrophobicContact CD-CG 3.87Å; K264-Q266 HydrophobicContact CG-CG 4.34Å | ||
| 265 | P | 36 | Very low | 30 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | -134.8 | 160.6 | 105.3 | 44.9 | -35.8 | 0 | 0 | 0 | 109.9 | |||||
| 266 | Q | 29.5 | Very low | 30.1 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | cis | 63.5 | 141.8 | 37.5 | -59.1 | -176.5 | -89.6 | 0 | 0 | 110.7 | K264 | K264-Q266 HydrophobicContact CD-CG 3.87Å; K264-Q266 HydrophobicContact CG-CG 4.34Å | ||
| 267 | T | 29.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 128 Ų | 128 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | cis | -147.3 | 174 | -0 | -14.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 268 | E | 31.9 | Very low | 29.7 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | cis | -119.3 | -172.2 | 14.9 | -82.1 | -115.1 | 99.3 | 0 | 0 | 110.1 | ||||
| 269 | V | 25.4 | Very low | 29.9 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 66% | 0.661 | 73% | 0.729 | S | S | * | * | cis | 79.8 | 156.8 | 16.5 | -171.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 270 | V | 32.6 | Very low | 30 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | trans | 72 | 106.4 | -162.2 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 271 | S | 25.6 | Very low | 30.6 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | cis | 75.7 | 77.1 | 17.6 | -45.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 272 | S | 33.5 | Very low | 30.5 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -158.4 | 108.3 | 153.4 | -82.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 273 | T | 28.5 | Very low | 30.7 | Very low | 115 Ų | 115 | 124 Ų | 124 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | cis | 83.8 | 120.3 | 38.7 | -47.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 274 | T | 26.4 | Very low | 30.3 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | 48.2 | 126.4 | 164.9 | 50.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 275 | V | 29.3 | Very low | 30.5 | Very low | 129 Ų | 129 | 119.2 Ų | 119.2 | 78% | 0.782 | 72% | 0.717 | S | S | * | * | -151.1 | 139.1 | 107.5 | -99.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 276 | L | 31.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | 34.8 | 116.3 | 138.9 | -56.1 | 168 | 0 | 0 | 0 | 117.8 | ||||
| 277 | S | 24.9 | Very low | 30.7 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | 63.2 | 133.3 | 30.7 | -47.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 278 | T | 26.6 | Very low | 30.9 | Very low | 139 Ų | 139 | 121.3 Ų | 121.3 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 69.9 | 148.3 | -174.6 | 76 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 279 | S | 32.8 | Very low | 31.1 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | cis | -146.2 | 170.3 | 2.9 | 47.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 280 | I | 31.5 | Very low | 31.4 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | -108.2 | 138.5 | 178.6 | -59.7 | 164.5 | 0 | 0 | 0 | 109.6 | T282 | I280-T282 HydrophobicContact CG2-CG2 4.07Š| ||
| 281 | P | 40 | Very low | 31.9 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | -123.8 | 149.6 | 116.1 | 1.2 | 20.4 | 0 | 0 | 0 | 110.6 | |||||
| 282 | T | 29 | Very low | 32.2 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 61% | 0.607 | 75% | 0.749 | S | S | * | * | cis | 75.6 | 154.1 | 39.4 | 63.5 | 0 | 0 | 0 | 0 | 116 | I280 | I280-T282 HydrophobicContact CG2-CG2 4.07Š| ||
| 283 | C | 34.4 | Very low | 32.2 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | trans | 77.7 | 116.5 | -163.5 | -53.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 284 | D | 29.3 | Very low | 32.2 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | 73.5 | 138 | 43.2 | -59.7 | -60.1 | 0 | 0 | 0 | 112.4 | ||||
| 285 | V | 32.3 | Very low | 32.5 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | cis | 172.1 | 146.4 | -16.1 | 125.1 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 286 | L | 35.9 | Very low | 32.4 | Very low | 163 Ų | 163 | 120.8 Ų | 120.8 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | 176.8 | 156.5 | 136.5 | -97.9 | 172.9 | 0 | 0 | 0 | 111.7 | ||||
| 287 | S | 33.7 | Very low | 32.3 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -131.7 | 137.5 | -176.7 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 288 | T | 34.8 | Very low | 32.5 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -162.9 | 138.9 | 175.5 | 18.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 289 | L | 36.1 | Very low | 32.8 | Very low | 165 Ų | 165 | 120.2 Ų | 120.2 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | cis | -141 | 167.9 | 9.7 | -94.4 | 156.8 | 0 | 0 | 0 | 111.8 | ||||
| 290 | C | 30.2 | Very low | 32.6 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | trans | -86.1 | -163.6 | 163.2 | -127.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 291 | P | 42.6 | Very low | 32.5 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | cis | -134.7 | -164.3 | -18 | 27.9 | -2.2 | 0 | 0 | 0 | 112.8 | ||||
| 292 | T | 32.9 | Very low | 32.5 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | 42.6 | 143.1 | 142.5 | 52.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 293 | S | 33.8 | Very low | 32.7 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | -155.8 | 169.7 | 42.9 | -62.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 294 | A | 28.9 | Very low | 32.4 | Very low | 87 Ų | 87 | 128.5 Ų | 128.5 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | -40.3 | 163.5 | 148 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 295 | I | 31.5 | Very low | 32.5 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | -161.9 | 165.4 | 80.5 | -88.5 | 163.4 | 0 | 0 | 0 | 112.2 | |||||
| 296 | S | 27.7 | Very low | 32.3 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | trans | -29.7 | 140.7 | 175 | 61.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 297 | S | 30.3 | Very low | 31.9 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | 88.5 | 152 | 60.8 | -47.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 298 | F | 29 | Very low | 31.6 | Very low | 210 Ų | 210 | 124.2 Ų | 124.2 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | 74.5 | 157.5 | 165.5 | -60 | -67.6 | 0 | 0 | 0 | 119.2 | ||||
| 299 | G | 32.5 | Very low | 31.3 | Very low | 66 Ų | 66 | 123.6 Ų | 123.6 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | 86 | 119.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 300 | M | 27.6 | Very low | 31.2 | Very low | 188 Ų | 188 | 123.4 Ų | 123.4 | 93% | 0.926 | 76% | 0.76 | S | S | * | * | cis | 57.3 | 131.1 | 12 | -63.5 | -167.4 | 179 | 0 | 0 | 114.1 | ||||
| 301 | V | 31.1 | Very low | 31.1 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | cis | -148.7 | 163 | 10 | 107.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 302 | P | 40 | Very low | 30.8 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | -89.1 | 171.4 | -174.2 | 37.7 | -35.1 | 0 | 0 | 0 | 112.8 | ||||
| 303 | M | 32.1 | Very low | 30.8 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 77% | 0.768 | 77% | 0.768 | S | S | * | * | trans | 163.9 | 148.5 | 134.2 | -91 | -61.2 | 173.6 | 0 | 0 | 112.8 | ||||
| 304 | N | 28.5 | Very low | 30.9 | Very low | 158 Ų | 158 | 122.8 Ų | 122.8 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 61.7 | 160.2 | 155.2 | -57.8 | -22.5 | 0 | 0 | 0 | 119.5 | ||||
| 305 | G | 31.6 | Very low | 31.1 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 141.9 | 63.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 306 | S | 27.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -74.9 | 167.6 | 168.7 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 307 | L | 28.8 | Very low | 31.5 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | 73.6 | 154.6 | 168.8 | -49.8 | 172.7 | 0 | 0 | 0 | 114.8 | ||||
| 308 | S | 27.5 | Very low | 31.5 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 60% | 0.601 | 79% | 0.785 | S | S | * | * | cis | -174.7 | 148.4 | -24.3 | 52.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 309 | S | 26.6 | Very low | 31.9 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | 66.2 | 173.6 | 174.7 | -14.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 310 | I | 35 | Very low | 31.9 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | cis | -133.4 | 150.4 | 24.5 | -60.7 | 160 | 0 | 0 | 0 | 110.4 | ||||
| 311 | S | 27.5 | Very low | 32.2 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -95.8 | 144.5 | -178.5 | -51 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 312 | S | 37.3 | Very low | 32.4 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -157.5 | 105 | 155.5 | -42.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 313 | T | 32.3 | Very low | 32 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | 68.2 | 112.7 | 63.6 | 68.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 314 | G | 35 | Very low | 32.1 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 179.9 | 44.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 315 | Q | 34.1 | Very low | 32.4 | Very low | 177 Ų | 177 | 123.5 Ų | 123.5 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 29.9 | 111.1 | 148.1 | -78.9 | 172 | -12.4 | 0 | 0 | 122.7 | ||||
| 316 | T | 31.2 | Very low | 32.5 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | 41.9 | 131.2 | 117.2 | 58.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 317 | N | 35.7 | Very low | 33 | Very low | 163 Ų | 163 | 125 Ų | 125 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | -161.9 | 150.9 | 101.3 | -97 | -21.5 | 0 | 0 | 0 | 113.9 | |||||
| 318 | S | 31.2 | Very low | 33.4 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -106.5 | 158.2 | 175.8 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 319 | I | 37.4 | Very low | 33.7 | Very low | 173 Ų | 173 | 125 Ų | 125 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -156.5 | 144 | 151.3 | -100.7 | 144.3 | 0 | 0 | 0 | 108.2 | ||||
| 320 | S | 31.1 | Very low | 34 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -113.7 | 160.2 | -178.2 | -52.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 321 | S | 35.4 | Very low | 33.5 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | 165.4 | 134.3 | 122.3 | -75.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 322 | N | 33.9 | Very low | 33.9 | Very low | 147 Ų | 147 | 125 Ų | 125 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | 50.5 | 109.5 | 135.7 | -50.7 | -15 | 0 | 0 | 0 | 119.7 | ||||
| 323 | A | 32.7 | Very low | 33.5 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | 92.5 | 164.7 | 93.3 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 324 | I | 34.5 | Very low | 33.7 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | cis | -148.4 | 147.3 | 22.4 | -57.6 | 166.4 | 0 | 0 | 0 | 109.6 | ||||
| 325 | T | 33.5 | Very low | 33.5 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | 60.8 | 156.6 | 163.6 | 45.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 326 | S | 33.7 | Very low | 33.4 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | cis | -165.5 | 153.6 | -15.1 | 45.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 327 | S | 38.7 | Very low | 33.7 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | 60.3 | 139.8 | 168.7 | 62.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 328 | G | 36.4 | Very low | 33.6 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | -178.2 | 158.7 | -6.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 329 | E | 34.4 | Very low | 33.8 | Very low | 185 Ų | 185 | 125.8 Ų | 125.8 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 51.6 | 92.5 | 162.9 | -55.8 | -175.8 | 165 | 0 | 0 | 117.8 | ||||
| 330 | T | 32.6 | Very low | 33.8 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 61.8 | 87.9 | 74.7 | 72.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 331 | C | 26 | Very low | 34.3 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | 56.7 | 137.6 | 121.7 | -53.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 332 | V | 35.3 | Very low | 34.4 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 91.9 | 123.1 | 154.1 | -159.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 333 | S | 29.1 | Very low | 34.7 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -26.7 | 156.5 | 156.2 | -54.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 334 | P | 36.5 | Very low | 34.9 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | -150.5 | 161.8 | 40.3 | 41.9 | -21.4 | 0 | 0 | 0 | 121 | ||||
| 335 | L | 30.8 | Very low | 35.2 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 20.1 | 118.5 | 143.3 | -172.7 | 71.5 | 0 | 0 | 0 | 119.9 | ||||
| 336 | P | 32.3 | Very low | 35.4 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -129.7 | 131 | 131 | 35.4 | -25.6 | 0 | 0 | 0 | 112 | ||||
| 337 | T | 36.3 | Very low | 36 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -153.2 | 99.6 | 167.1 | -43.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 338 | T | 33.4 | Very low | 36 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -106.2 | 124.1 | 164.7 | 38.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 339 | L | 35 | Very low | 36.5 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 62.2 | 100.9 | 146.3 | -62.5 | 164.1 | 0 | 0 | 0 | 120.4 | ||||
| 340 | S | 38 | Very low | 36.6 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 82.9 | 173.9 | 130.8 | -45.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 341 | P | 42.2 | Very low | 37.1 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | -140.7 | 171.6 | -91.1 | 40.1 | -21 | 0 | 0 | 0 | 118.4 | |||||
| 342 | L | 36.9 | Very low | 37.6 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 71.4 | 166 | 163.2 | -114.1 | 72.4 | 0 | 0 | 0 | 116.9 | ||||
| 343 | P | 40.8 | Very low | 38 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | cis | -127.5 | 178.7 | -27 | 23.8 | -1.9 | 0 | 0 | 0 | 114.3 | ||||
| 344 | T | 36.4 | Very low | 38.4 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | 65.4 | 154.9 | 153.6 | 33.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 345 | L | 39.9 | Very low | 38.9 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | cis | -136.5 | 179.6 | -0.5 | -106 | 160.2 | 0 | 0 | 0 | 108.3 | ||||
| 346 | P | 38.2 | Very low | 39.5 | Very low | 103 Ų | 103 | 138 Ų | 138 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -101.5 | 168.1 | -167.1 | 40.2 | -37.3 | 0 | 0 | 0 | 115.9 | ||||
| 347 | E | 47.3 | Very low | 39.9 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -115.6 | 131.9 | 151.4 | -71.9 | -163.6 | 133.1 | 0 | 0 | 110.7 | ||||
| 348 | E | 38.3 | Very low | 39.8 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -107.4 | -175.5 | 154.4 | -69.1 | -166.7 | 114.5 | 0 | 0 | 108.3 | ||||
| 349 | I | 45.9 | Very low | 40.1 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 80% | 0.795 | 77% | 0.774 | S | S | * | * | trans | 75.8 | 143.5 | 173.1 | -29.3 | 175.7 | 0 | 0 | 0 | 114.4 | ||||
| 350 | L | 37.1 | Very low | 41.1 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 63.4 | 127.1 | -175.6 | -66.4 | 94.9 | 0 | 0 | 0 | 115.7 | ||||
| 351 | L | 43 | Very low | 41.8 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | cis | -144.1 | 166.5 | -6.3 | -111.8 | 173.2 | 0 | 0 | 0 | 110.7 | ||||
| 352 | K | 36.1 | Very low | 42.3 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -76.3 | 130.1 | 179.4 | -56.9 | 87.9 | 166.7 | -172.9 | 0 | 109.6 | ||||
| 353 | I | 44.9 | Very low | 42.8 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | -135.7 | 116.6 | 162.4 | -57.6 | 179.8 | 0 | 0 | 0 | 106.9 | P355 | I353-P355 WeakPolarHBondContact O-CD 3.37Š| ||
| 354 | D | 37 | Very low | 42.9 | Very low | 116 Ų | 116 | 134 Ų | 134 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | trans | -74.9 | 124.4 | 178.5 | -68 | -84.2 | 0 | 0 | 0 | 111.5 | S356 | D354-S356 WeakPolarHBondContact CB-OG 3.45Å; D354-S356 PolarHBondContact O-N 3.14Å | ||
| 355 | P | 47.9 | Very low | 43.1 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 49.6 | 166.8 | 35.7 | -35.2 | 0 | 0 | 0 | 110.4 | I353 | I353-P355 WeakPolarHBondContact O-CD 3.37Š|
| 356 | S | 43.3 | Very low | 42.9 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -17.1 | 177.4 | 66.4 | 0 | 0 | 0 | 0 | 113.1 | D354 G358 | D354-S356 WeakPolarHBondContact CB-OG 3.45Å; D354-S356 PolarHBondContact O-N 3.14Å; S356-G358 PolarHBondContact O-N 2.79Å |
| 357 | L | 40 | Very low | 42.8 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -71.8 | 119.8 | 158.8 | -82.2 | 164.8 | 0 | 0 | 0 | 108.3 | D359 | L357-D359 PolarHBondContact O-N 3.49Š|
| 358 | G | 35 | Very low | 42.7 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -78.5 | 107.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S356 P360 | S356-G358 PolarHBondContact O-N 2.79Å; G358-P360 WeakPolarHBondContact O-CD 3.5Å | ||
| 359 | D | 39.6 | Very low | 42.9 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 122.1 | 152.9 | -71.6 | -47.4 | 0 | 0 | 0 | 107.4 | L357 | L357-D359 PolarHBondContact O-N 3.49Š|
| 360 | P | 54.4 | Low | 43.5 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 148.1 | 172.3 | 25.9 | -33.2 | 0 | 0 | 0 | 108.5 | G358 P362 | G358-P360 WeakPolarHBondContact O-CD 3.5Å; P360-P362 VanDerWaalsContact O-N 3.12Å |
| 361 | P | 52.7 | Low | 44.4 | Very low | 115 Ų | 115 | 124 Ų | 124 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 127.7 | 171.8 | 24.8 | -33.2 | 0 | 0 | 0 | 107.3 | ||
| 362 | P | 53.3 | Low | 45.9 | Very low | 94 Ų | 94 | 121.8 Ų | 121.8 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 132.2 | -176.9 | 21.1 | -32.5 | 0 | 0 | 0 | 107.7 | P360 | P360-P362 VanDerWaalsContact O-N 3.12Š|
| 363 | P | 47.3 | Very low | 48 | Very low | 96 Ų | 96 | 116.6 Ų | 116.6 | 62% | 0.623 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 142.8 | -176.8 | 23.6 | -34.2 | 0 | 0 | 0 | 108 | H365 | P363-H365 VanDerWaalsContact C-N 3.34Å; P363-H365 WeakPolarHBondContact O-CA 3.48Å; P363-H365 PolarHBondContact O-N 2.77Å |
| 364 | P | 43.8 | Very low | 49.8 | Very low | 125 Ų | 125 | 113 Ų | 113 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | trans | -55.5 | 103.4 | -175.7 | 23.8 | -33.6 | 0 | 0 | 0 | 107.6 | A366 | P364-A366 PolarHBondContact O-N 2.99Š| ||
| 365 | H | 39.6 | Very low | 52.2 | Low | 165 Ų | 165 | 111 Ų | 111 | 76% | 0.764 | 66% | 0.655 | S | S | * | * | trans | -56.4 | 117.7 | -168.5 | -83.5 | -81.2 | 0 | 0 | 0 | 106.6 | P363 | P363-H365 VanDerWaalsContact C-N 3.34Å; P363-H365 WeakPolarHBondContact O-CA 3.48Å; P363-H365 PolarHBondContact O-N 2.77Å | ||
| 366 | A | 37.1 | Very low | 54.3 | Low | 81 Ų | 81 | 104.4 Ų | 104.4 | 67% | 0.669 | 61% | 0.613 | S | S | * | * | trans | -51 | 154.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P364 I368 | P364-A366 PolarHBondContact O-N 2.99Å; A366-I368 PolarHBondContact O-N 2.9Å | ||
| 367 | D | 34.5 | Very low | 56.4 | Low | 142 Ų | 142 | 104.5 Ų | 104.5 | 76% | 0.759 | 61% | 0.605 | S | S | * | * | trans | -72.7 | 58.1 | -168.7 | -161.1 | 15.9 | 0 | 0 | 0 | 113.6 | T369 | D367-T369 PolarHBondContact O-N 2.94Å; D367-T369 WeakPolarHBondContact OD1-CA 3.43Å; D367-T369 VanDerWaalsContact OD1-CG2 3.27Å; D367-T369 WeakPolarHBondContact OD1-CG2 3.39Å; D367-T369 PolarHBondContact OD1-N 3.48Å | ||
| 368 | I | 44.9 | Very low | 58.7 | Low | 152 Ų | 152 | 102 Ų | 102 | 78% | 0.779 | 59% | 0.592 | S | S | * | * | trans | -52.7 | 84.2 | 137.1 | -52.2 | 174.4 | 0 | 0 | 0 | 105.4 | A366 I370 | A366-I368 PolarHBondContact O-N 2.9Å; I368-I370 PolarHBondContact O-N 3.43Å | ||
| 369 | T | 42.6 | Very low | 61.4 | Low | 80 Ų | 80 | 100.4 Ų | 100.4 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | trans | -50.4 | 112 | 170.8 | 58.1 | 0 | 0 | 0 | 0 | 106 | D367 T371 | D367-T369 PolarHBondContact O-N 2.94Å; D367-T369 WeakPolarHBondContact OD1-CA 3.43Å; D367-T369 VanDerWaalsContact OD1-CG2 3.27Å; D367-T369 WeakPolarHBondContact OD1-CG2 3.39Å; D367-T369 PolarHBondContact OD1-N 3.48Å; T369-T371 WeakPolarHBondContact O-CG2 3.46Å; T369-T371 PolarHBondContact O-N 3.43Å | ||
| 370 | I | 58.8 | Low | 63.6 | Low | 127 Ų | 127 | 99.5 Ų | 99.5 | 65% | 0.651 | 56% | 0.557 | S | S | * | * | trans | -62.2 | 99.8 | 168.7 | -66.9 | 177.5 | 0 | 0 | 0 | 103.1 | I368 K372 | I368-I370 PolarHBondContact O-N 3.43Å; I370-K372 WeakPolarHBondContact O-CG 3.46Å; I370-K372 PolarHBondContact O-N 3.13Å | ||
| 371 | T | 57.4 | Low | 65.2 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 63% | 0.626 | 55% | 0.55 | S | S | * | * | trans | -64.1 | 108 | -163.9 | 46.1 | 0 | 0 | 0 | 0 | 107.1 | T369 P373 | T369-T371 WeakPolarHBondContact O-CG2 3.46Å; T369-T371 PolarHBondContact O-N 3.43Å; T371-P373 WeakPolarHBondContact O-CD 3.37Å | ||
| 372 | K | 73.3 | Confident | 67 | Low | 92 Ų | 92 | 101.2 Ų | 101.2 | 40% | 0.4 | 54% | 0.539 | S | S | . | . | trans | -104.9 | 73.4 | 172.7 | -71.4 | 160.9 | -175.8 | 169.9 | 0 | 104.8 | I370 Y374 R382 Y383 | I370-K372 WeakPolarHBondContact O-CG 3.46Å; I370-K372 PolarHBondContact O-N 3.13Å; K372-Y374 PolarHBondContact O-N 3.12Å; K372-R382 HydrophobicContact CB-CB 3.6Å; K372-R382 HydrophobicContact CD-CB 4.39Å; K372-R382 PolarHBondContact O-NE 3.35Å; K372-R382 PolarHBondContact O-NH2 3.32Å; K372-Y383 CarbonylContact C-O 3.51Å; K372-Y383 WeakPolarHBondContact CA-O 3.14Å; K372-Y383 WeakPolarHBondContact CB-O 3.29Å | ||
| 373 | P | 80.8 | Confident | 68.7 | Low | 75 Ų | 75 | 99.4 Ų | 99.4 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | trans | -67.7 | -25.6 | -175.7 | 29.9 | -36.3 | 0 | 0 | 0 | 110.7 | T371 Q375 | T371-P373 WeakPolarHBondContact O-CD 3.37Å; P373-Q375 PolarHBondContact O-N 3.13Å | ||
| 374 | Y | 82.8 | Confident | 70.7 | Confident | 84 Ų | 84 | 98.8 Ų | 98.8 | 33% | 0.329 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 81.5 | -177.8 | -52.3 | -67.2 | 0 | 0 | 0 | 110.9 | K372 Y383 G385 M386 | K372-Y374 PolarHBondContact O-N 3.12Å; Y374-Y383 WeakPolarHBondContact CB-O 3.49Å; Y374-Y383 PolarHBondContact N-O 3.09Å; Y374-Y383 PolarHBondContact O-N 2.88Å; Y374-G385 VanDerWaalsContact CD2-CA 3.41Å; Y374-M386 HydrophobicContact CD1-CB 4.15Å; Y374-M386 HydrophobicContact CD1-CE 3.75Å; Y374-M386 HydrophobicContact CD1-SD 3.91Å; Y374-M386 VanDerWaalsContact CD2-N 3.27Å; Y374-M386 HydrophobicContact CE1-CB 3.94Å; Y374-M386 HydrophobicContact CE1-CE 3.63Å; Y374-M386 HydrophobicContact CE1-SD 4.21Å; Y374-M386 HydrophobicContact CE2-CB 4.34Å; Y374-M386 VanDerWaalsContact CE2-N 3.32Å; Y374-M386 HydrophobicContact CG-CB 4.47Å |
| 375 | Q | 87.9 | Confident | 72.8 | Confident | 72 Ų | 72 | 93.8 Ų | 93.8 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 150 | 169.8 | -170.7 | 153.3 | -56.2 | 0 | 0 | 110.9 | P373 F380 R382 L389 | P373-Q375 PolarHBondContact O-N 3.13Å; Q375-F380 HydrophobicContact CG-CB 4.39Å; Q375-F380 HydrophobicContact CG-CD1 4.36Å; Q375-R382 HydrophobicContact CB-CG 4.13Å; Q375-R382 HydrophobicContact CG-CG 4.05Å; Q375-R382 VanDerWaalsContact OE1-CD 3.3Å; Q375-L389 WeakPolarHBondContact O-CD1 3.37Å; Q375-L389 VanDerWaalsContact O-CD2 3.31Å; Q375-L389 WeakPolarHBondContact O-CD2 3.39Å |
| 376 | C | 91 | Very high | 75.1 | Confident | 0 Ų | 0 | 91.1 Ų | 91.1 | 0% | 0 | 48% | 0.479 | C | S | . | . | trans | -98.3 | 115 | 173 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | I378 C379 F380 K381 Y383 L389 H392 H396 | C376-I378 PolarHBondContact O-N 2.88Å; C376-C379 PolarHBondContact O-N 2.92Å; C376-F380 WeakPolarHBondContact O-CA 3.48Å; C376-F380 PolarHBondContact O-N 2.88Å; C376-K381 WeakPolarHBondContact CB-O 3.44Å; C376-K381 PolarHBondContact N-O 3.28Å; C376-Y383 HydrophobicContact CB-CE2 4.42Å; C376-L389 HydrophobicContact CB-CD1 3.66Å; C376-H392 VanDerWaalsContact SG-CD2 3.52Å; C376-H392 PolarHBondContact SG-NE2 3.07Å; C376-H392 VanDerWaalsContact SG-NE2 3.4Å; C376-H396 VanDerWaalsContact SG-CD2 3.6Å; C376-H396 PolarHBondContact SG-NE2 3.39Å | ||
| 377 | D | 88.7 | Confident | 77.6 | Confident | 102 Ų | 102 | 95.3 Ų | 95.3 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.5 | -178.1 | 2.3 | -59.1 | 0 | 0 | 0 | 114.6 | F380 K393 | D377-F380 VanDerWaalsContact O-CE1 3.31Å; D377-F380 WeakPolarHBondContact O-CE1 3.44Å; D377-K393 IonicContact OD1-NZ 2.79Å; D377-K393 PolarHBondContact OD1-NZ 2.89Å; D377-K393 WeakPolarHBondContact OD2-CE 3.37Å; D377-K393 IonicContact OD2-NZ 3.49Å; D377-K393 PolarHBondContact OD2-NZ 3.14Å |
| 378 | I | 88 | Confident | 80.2 | Confident | 108 Ų | 108 | 91 Ų | 91 | 55% | 0.554 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -25.7 | -177.6 | -60.5 | 169.9 | 0 | 0 | 0 | 113.4 | C376 H396 | C376-I378 PolarHBondContact O-N 2.88Å; I378-H396 HydrophobicContact CD1-CB 3.64Å; I378-H396 HydrophobicContact CG2-CB 4.15Å |
| 379 | C | 91.1 | Very high | 82.4 | Confident | 38 Ų | 38 | 84.3 Ų | 84.3 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.9 | 13.7 | -177 | 76.4 | 0 | 0 | 0 | 0 | 115.4 | C376 K381 H392 H396 | C376-C379 PolarHBondContact O-N 2.92Å; C379-K381 PolarHBondContact O-N 3.24Å; C379-H392 PolarHBondContact SG-NE2 3.34Å; C379-H396 PolarHBondContact SG-CE1 3.25Å; C379-H396 PolarHBondContact SG-NE2 2.95Å |
| 380 | F | 85.7 | Confident | 84.6 | Confident | 137 Ų | 137 | 87.8 Ų | 87.8 | 60% | 0.601 | 44% | 0.437 | S | S | * | . | trans | 52.2 | 10.6 | 176.4 | -49.8 | -56.9 | 0 | 0 | 0 | 117.5 | Q375 C376 D377 R382 | Q375-F380 HydrophobicContact CG-CB 4.39Å; Q375-F380 HydrophobicContact CG-CD1 4.36Å; C376-F380 WeakPolarHBondContact O-CA 3.48Å; C376-F380 PolarHBondContact O-N 2.88Å; D377-F380 VanDerWaalsContact O-CE1 3.31Å; D377-F380 WeakPolarHBondContact O-CE1 3.44Å; F380-R382 PolarHBondContact O-N 3.02Å | ||
| 381 | K | 88.5 | Confident | 85.9 | Confident | 119 Ų | 119 | 84.6 Ų | 84.6 | 52% | 0.517 | 42% | 0.421 | S | S | . | . | trans | -63.3 | 132.4 | 170.6 | -61.9 | -177.4 | -156.9 | -43.2 | 0 | 109.8 | C376 C379 Y383 | C376-K381 WeakPolarHBondContact CB-O 3.44Å; C376-K381 PolarHBondContact N-O 3.28Å; C379-K381 PolarHBondContact O-N 3.24Å; K381-Y383 HydrophobicContact CB-CE2 3.69Å; K381-Y383 WeakPolarHBondContact O-CD2 3.05Å; K381-Y383 VanDerWaalsContact O-CE2 3.27Å; K381-Y383 WeakPolarHBondContact O-CE2 3.45Å | ||
| 382 | R | 89.7 | Confident | 87.4 | Confident | 135 Ų | 135 | 80.6 Ų | 80.6 | 51% | 0.509 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 139.7 | -176.8 | -55.8 | -174.4 | 69.1 | 126.4 | -15.3 | 111.5 | K372 Q375 F380 | K372-R382 HydrophobicContact CB-CB 3.6Å; K372-R382 HydrophobicContact CD-CB 4.39Å; K372-R382 PolarHBondContact O-NE 3.35Å; K372-R382 PolarHBondContact O-NH2 3.32Å; Q375-R382 HydrophobicContact CB-CG 4.13Å; Q375-R382 HydrophobicContact CG-CG 4.05Å; Q375-R382 VanDerWaalsContact OE1-CD 3.3Å; F380-R382 PolarHBondContact O-N 3.02Å |
| 383 | Y | 89.7 | Confident | 88.2 | Confident | 55 Ų | 55 | 79.7 Ų | 79.7 | 22% | 0.216 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 145.8 | -176.3 | -62.7 | -89.2 | 0 | 0 | 0 | 111.9 | K372 Y374 C376 K381 G385 L389 H392 | K372-Y383 CarbonylContact C-O 3.51Å; K372-Y383 WeakPolarHBondContact CA-O 3.14Å; K372-Y383 WeakPolarHBondContact CB-O 3.29Å; Y374-Y383 WeakPolarHBondContact CB-O 3.49Å; Y374-Y383 PolarHBondContact N-O 3.09Å; Y374-Y383 PolarHBondContact O-N 2.88Å; C376-Y383 HydrophobicContact CB-CE2 4.42Å; K381-Y383 HydrophobicContact CB-CE2 3.69Å; K381-Y383 WeakPolarHBondContact O-CD2 3.05Å; K381-Y383 VanDerWaalsContact O-CE2 3.27Å; K381-Y383 WeakPolarHBondContact O-CE2 3.45Å; Y383-G385 VanDerWaalsContact C-N 3.27Å; Y383-G385 PolarHBondContact O-N 3.44Å; Y383-L389 HydrophobicContact CD2-CB 4.45Å; Y383-L389 HydrophobicContact CD2-CD1 4.14Å; Y383-H392 HydrophobicContact CE1-CB 4.16Å; Y383-H392 HydrophobicContact CE2-CB 4.05Å; Y383-H392 AromaticContact CE2-CD2 3.13Å; Y383-H392 WeakPolarHBondContact CE2-CD2 3.37Å; Y383-H392 AromaticContact CE2-CG 3.66Å; Y383-H392 AromaticContact CE2-NE2 3.81Å; Y383-H392 AromaticContact CZ-CD2 3.39Å; Y383-H392 AromaticContact CZ-CG 3.44Å; Y383-H392 VanDerWaalsContact CZ-CG 3.44Å; Y383-H392 AromaticContact CZ-NE2 3.98Å; Y383-H392 PolarHBondContact OH-CD2 3.49Å; Y383-H392 VanDerWaalsContact OH-CD2 3.24Å; Y383-H392 PolarHBondContact OH-CE1 3.39Å; Y383-H392 PolarHBondContact OH-ND1 3.03Å; Y383-H392 PolarHBondContact OH-NE2 3.12Å |
| 384 | S | 89.5 | Confident | 88.5 | Confident | 83 Ų | 83 | 78 Ų | 78 | 58% | 0.58 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -78.4 | -3.8 | -176.7 | 49.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 385 | G | 88.2 | Confident | 88.7 | Confident | 21 Ų | 21 | 77.7 Ų | 77.7 | 22% | 0.216 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -158.9 | 144.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y374 Y383 K387 S388 L389 | Y374-G385 VanDerWaalsContact CD2-CA 3.41Å; Y383-G385 VanDerWaalsContact C-N 3.27Å; Y383-G385 PolarHBondContact O-N 3.44Å; G385-K387 PolarHBondContact O-N 3.32Å; G385-S388 WeakPolarHBondContact O-CA 3.13Å; G385-S388 WeakPolarHBondContact O-CB 3.33Å; G385-S388 PolarHBondContact O-N 3.08Å; G385-L389 PolarHBondContact O-N 3.22Å; G385-L389 VanDerWaalsContact O-N 3.12Å |
| 386 | M | 87.9 | Confident | 88.7 | Confident | 109 Ų | 109 | 77.5 Ų | 77.5 | 54% | 0.537 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -55.5 | -36.3 | -178.1 | -175.6 | 62.8 | 90.9 | 0 | 0 | 112.5 | Y374 S388 L389 K390 | Y374-M386 HydrophobicContact CD1-CB 4.15Å; Y374-M386 HydrophobicContact CD1-CE 3.75Å; Y374-M386 HydrophobicContact CD1-SD 3.91Å; Y374-M386 VanDerWaalsContact CD2-N 3.27Å; Y374-M386 HydrophobicContact CE1-CB 3.94Å; Y374-M386 HydrophobicContact CE1-CE 3.63Å; Y374-M386 HydrophobicContact CE1-SD 4.21Å; Y374-M386 HydrophobicContact CE2-CB 4.34Å; Y374-M386 VanDerWaalsContact CE2-N 3.32Å; Y374-M386 HydrophobicContact CG-CB 4.47Å; M386-S388 VanDerWaalsContact C-N 3.29Å; M386-S388 PolarHBondContact O-N 3.41Å; M386-L389 PolarHBondContact O-N 3.48Å; M386-L389 HydrophobicContact SD-CD2 4.22Å; M386-K390 WeakPolarHBondContact O-CB 3.36Å; M386-K390 PolarHBondContact O-N 3.31Å |
| 387 | K | 88.3 | Confident | 88.3 | Confident | 168 Ų | 168 | 79.9 Ų | 79.9 | 73% | 0.73 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.1 | -36 | 175.1 | -170.7 | 171.9 | -175.7 | 172.1 | 0 | 112.5 | G385 N391 | G385-K387 PolarHBondContact O-N 3.32Å; K387-N391 VanDerWaalsContact O-CB 3.32Å; K387-N391 WeakPolarHBondContact O-CB 3.36Å; K387-N391 PolarHBondContact O-N 3.49Å; K387-N391 VanDerWaalsContact O-N 3.09Å; K387-N391 PolarHBondContact O-ND2 2.95Å; K387-N391 VanDerWaalsContact O-ND2 3.16Å |
| 388 | S | 88.9 | Confident | 87.8 | Confident | 53 Ų | 53 | 82 Ų | 82 | 37% | 0.371 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -73.6 | -39.5 | 175.8 | -61 | 0 | 0 | 0 | 0 | 111.7 | G385 M386 H392 | G385-S388 WeakPolarHBondContact O-CA 3.13Å; G385-S388 WeakPolarHBondContact O-CB 3.33Å; G385-S388 PolarHBondContact O-N 3.08Å; M386-S388 VanDerWaalsContact C-N 3.29Å; M386-S388 PolarHBondContact O-N 3.41Å; S388-H392 WeakPolarHBondContact O-CB 3.4Å; S388-H392 PolarHBondContact O-N 3.28Å; S388-H392 VanDerWaalsContact O-N 3.11Å |
| 389 | L | 91 | Very high | 87.6 | Confident | 10 Ų | 10 | 82 Ų | 82 | 5% | 0.052 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 171.9 | 175.2 | 61 | 0 | 0 | 0 | 111.5 | Q375 C376 Y383 G385 M386 N391 H392 K393 | Q375-L389 WeakPolarHBondContact O-CD1 3.37Å; Q375-L389 VanDerWaalsContact O-CD2 3.31Å; Q375-L389 WeakPolarHBondContact O-CD2 3.39Å; C376-L389 HydrophobicContact CB-CD1 3.66Å; Y383-L389 HydrophobicContact CD2-CB 4.45Å; Y383-L389 HydrophobicContact CD2-CD1 4.14Å; G385-L389 PolarHBondContact O-N 3.22Å; G385-L389 VanDerWaalsContact O-N 3.12Å; M386-L389 PolarHBondContact O-N 3.48Å; M386-L389 HydrophobicContact SD-CD2 4.22Å; L389-N391 PolarHBondContact O-N 2.93Å; L389-H392 CarbonylContact O-C 3.57Å; L389-H392 WeakPolarHBondContact O-CA 3.49Å; L389-H392 WeakPolarHBondContact O-CB 3.41Å; L389-H392 PolarHBondContact O-N 3.13Å; L389-K393 HydrophobicContact CD1-CG 4.06Å; L389-K393 HydrophobicContact CG-CG 4.35Å; L389-K393 PolarHBondContact O-N 2.93Å |
| 390 | K | 88.6 | Confident | 87.4 | Confident | 153 Ų | 153 | 85.7 Ų | 85.7 | 67% | 0.665 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.6 | -44.7 | 178.6 | -171.3 | 170.2 | -176.2 | 171.9 | 0 | 111.7 | M386 H392 K393 L394 | M386-K390 WeakPolarHBondContact O-CB 3.36Å; M386-K390 PolarHBondContact O-N 3.31Å; K390-H392 PolarHBondContact O-N 3.48Å; K390-K393 PolarHBondContact O-N 3.46Å; K390-L394 PolarHBondContact O-N 2.98Å |
| 391 | N | 87.6 | Confident | 87.4 | Confident | 60 Ų | 60 | 82.7 Ų | 82.7 | 32% | 0.321 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.1 | -19.7 | 173.3 | -75.4 | -22.7 | 0 | 0 | 0 | 114 | K387 L389 | K387-N391 VanDerWaalsContact O-CB 3.32Å; K387-N391 WeakPolarHBondContact O-CB 3.36Å; K387-N391 PolarHBondContact O-N 3.49Å; K387-N391 VanDerWaalsContact O-N 3.09Å; K387-N391 PolarHBondContact O-ND2 2.95Å; K387-N391 VanDerWaalsContact O-ND2 3.16Å; L389-N391 PolarHBondContact O-N 2.93Å |
| 392 | H | 88.9 | Confident | 87.3 | Confident | 18 Ų | 18 | 80 Ų | 80 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -95.9 | -30.3 | 175.3 | 170.7 | 55.4 | 0 | 0 | 0 | 113.3 | C376 C379 Y383 S388 L389 K390 L394 T395 H396 | C376-H392 VanDerWaalsContact SG-CD2 3.52Å; C376-H392 PolarHBondContact SG-NE2 3.07Å; C376-H392 VanDerWaalsContact SG-NE2 3.4Å; C379-H392 PolarHBondContact SG-NE2 3.34Å; Y383-H392 HydrophobicContact CE1-CB 4.16Å; Y383-H392 HydrophobicContact CE2-CB 4.05Å; Y383-H392 AromaticContact CE2-CD2 3.13Å; Y383-H392 WeakPolarHBondContact CE2-CD2 3.37Å; Y383-H392 AromaticContact CE2-CG 3.66Å; Y383-H392 AromaticContact CE2-NE2 3.81Å; Y383-H392 AromaticContact CZ-CD2 3.39Å; Y383-H392 AromaticContact CZ-CG 3.44Å; Y383-H392 VanDerWaalsContact CZ-CG 3.44Å; Y383-H392 AromaticContact CZ-NE2 3.98Å; Y383-H392 PolarHBondContact OH-CD2 3.49Å; Y383-H392 VanDerWaalsContact OH-CD2 3.24Å; Y383-H392 PolarHBondContact OH-CE1 3.39Å; Y383-H392 PolarHBondContact OH-ND1 3.03Å; Y383-H392 PolarHBondContact OH-NE2 3.12Å; S388-H392 WeakPolarHBondContact O-CB 3.4Å; S388-H392 PolarHBondContact O-N 3.28Å; S388-H392 VanDerWaalsContact O-N 3.11Å; L389-H392 CarbonylContact O-C 3.57Å; L389-H392 WeakPolarHBondContact O-CA 3.49Å; L389-H392 WeakPolarHBondContact O-CB 3.41Å; L389-H392 PolarHBondContact O-N 3.13Å; K390-H392 PolarHBondContact O-N 3.48Å; H392-L394 PolarHBondContact O-N 3.32Å; H392-T395 PolarHBondContact CE1-OG1 2.98Å; H392-T395 PolarHBondContact ND1-OG1 3.21Å; H392-T395 WeakPolarHBondContact O-CA 3.4Å; H392-T395 WeakPolarHBondContact O-CB 3.23Å; H392-T395 PolarHBondContact O-N 3.03Å; H392-T395 PolarHBondContact O-OG1 3.23Å; H392-H396 AromaticContact CD2-NE2 3.93Å; H392-H396 AromaticContact CE1-CE1 3.6Å; H392-H396 AromaticContact CE1-NE2 3.12Å; H392-H396 PolarHBondContact CE1-NE2 3.41Å; H392-H396 AromaticContact ND1-NE2 3.97Å; H392-H396 AromaticContact NE2-CE1 3.87Å; H392-H396 AromaticContact NE2-NE2 3.07Å; H392-H396 PolarHBondContact NE2-NE2 3.3Å |
| 393 | K | 88.6 | Confident | 87.2 | Confident | 73 Ų | 73 | 80.9 Ų | 80.9 | 32% | 0.317 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.2 | -37.1 | 168.2 | -66.4 | -161 | -178.1 | -164.7 | 0 | 110.1 | D377 L389 K390 T395 H396 S397 | D377-K393 IonicContact OD1-NZ 2.79Å; D377-K393 PolarHBondContact OD1-NZ 2.89Å; D377-K393 WeakPolarHBondContact OD2-CE 3.37Å; D377-K393 IonicContact OD2-NZ 3.49Å; D377-K393 PolarHBondContact OD2-NZ 3.14Å; L389-K393 HydrophobicContact CD1-CG 4.06Å; L389-K393 HydrophobicContact CG-CG 4.35Å; L389-K393 PolarHBondContact O-N 2.93Å; K390-K393 PolarHBondContact O-N 3.46Å; K393-T395 PolarHBondContact O-N 3.35Å; K393-T395 VanDerWaalsContact O-N 3.08Å; K393-H396 PolarHBondContact O-N 3.06Å; K393-S397 PolarHBondContact O-N 3.29Å |
| 394 | L | 87.3 | Confident | 87.3 | Confident | 41 Ų | 41 | 78.4 Ų | 78.4 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -9.2 | 167.4 | -67.9 | 177 | 0 | 0 | 0 | 115.8 | K390 H392 S397 L412 | K390-L394 PolarHBondContact O-N 2.98Å; H392-L394 PolarHBondContact O-N 3.32Å; L394-S397 VanDerWaalsContact O-O 3.08Å; L394-L412 WeakPolarHBondContact O-CD2 3.38Å |
| 395 | T | 87.7 | Confident | 87.1 | Confident | 77 Ų | 77 | 80 Ų | 80 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -8.9 | 171.8 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | H392 K393 L412 | H392-T395 PolarHBondContact CE1-OG1 2.98Å; H392-T395 PolarHBondContact ND1-OG1 3.21Å; H392-T395 WeakPolarHBondContact O-CA 3.4Å; H392-T395 WeakPolarHBondContact O-CB 3.23Å; H392-T395 PolarHBondContact O-N 3.03Å; H392-T395 PolarHBondContact O-OG1 3.23Å; K393-T395 PolarHBondContact O-N 3.35Å; K393-T395 VanDerWaalsContact O-N 3.08Å; T395-L412 HydrophobicContact CG2-CD2 3.57Å |
| 396 | H | 87.5 | Confident | 87 | Confident | 67 Ų | 67 | 83.6 Ų | 83.6 | 31% | 0.31 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -13.4 | 170.8 | -56.9 | -61.1 | 0 | 0 | 0 | 112.4 | C376 I378 C379 H392 K393 | C376-H396 VanDerWaalsContact SG-CD2 3.6Å; C376-H396 PolarHBondContact SG-NE2 3.39Å; I378-H396 HydrophobicContact CD1-CB 3.64Å; I378-H396 HydrophobicContact CG2-CB 4.15Å; C379-H396 PolarHBondContact SG-CE1 3.25Å; C379-H396 PolarHBondContact SG-NE2 2.95Å; H392-H396 AromaticContact CD2-NE2 3.93Å; H392-H396 AromaticContact CE1-CE1 3.6Å; H392-H396 AromaticContact CE1-NE2 3.12Å; H392-H396 PolarHBondContact CE1-NE2 3.41Å; H392-H396 AromaticContact ND1-NE2 3.97Å; H392-H396 AromaticContact NE2-CE1 3.87Å; H392-H396 AromaticContact NE2-NE2 3.07Å; H392-H396 PolarHBondContact NE2-NE2 3.3Å; K393-H396 PolarHBondContact O-N 3.06Å |
| 397 | S | 83.7 | Confident | 87.1 | Confident | 51 Ų | 51 | 80.6 Ų | 80.6 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -100.9 | 139.4 | 170.8 | -45.7 | 0 | 0 | 0 | 0 | 109.8 | K393 L394 I399 | K393-S397 PolarHBondContact O-N 3.29Å; L394-S397 VanDerWaalsContact O-O 3.08Å; S397-I399 PolarHBondContact O-N 2.92Å; S397-I399 VanDerWaalsContact O-N 3.16Å |
| 398 | D | 78.3 | Confident | 87 | Confident | 145 Ų | 145 | 75.1 Ų | 75.1 | 78% | 0.775 | 41% | 0.407 | S | S | * | . | trans | -72.4 | -0.4 | 169.7 | -75.6 | -67.6 | 0 | 0 | 0 | 113.9 | R400 | D398-R400 WeakPolarHBondContact O-CG 3.41Å; D398-R400 PolarHBondContact O-N 3.38Å | ||
| 399 | I | 83 | Confident | 87 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 56% | 0.564 | 41% | 0.412 | S | S | * | . | trans | -61.3 | 116.4 | 174.8 | -58.4 | 172 | 0 | 0 | 0 | 110.1 | S397 P401 | S397-I399 PolarHBondContact O-N 2.92Å; S397-I399 VanDerWaalsContact O-N 3.16Å; I399-P401 HydrophobicContact CG2-CG 4.25Å | ||
| 400 | R | 86.2 | Confident | 86.9 | Confident | 115 Ų | 115 | 78.6 Ų | 78.6 | 43% | 0.434 | 42% | 0.421 | S | S | . | . | trans | -123 | 85.9 | -177.7 | -72.1 | 158.2 | 175.4 | -92.6 | -2.5 | 109.6 | D398 H402 A410 F411 L412 | D398-R400 WeakPolarHBondContact O-CG 3.41Å; D398-R400 PolarHBondContact O-N 3.38Å; R400-H402 PolarHBondContact O-N 2.9Å; R400-H402 VanDerWaalsContact O-N 3.15Å; R400-A410 HydrophobicContact CB-CB 3.47Å; R400-A410 VanDerWaalsContact CB-CB 3.47Å; R400-A410 HydrophobicContact CG-CB 4.39Å; R400-A410 PolarHBondContact NH1-O 3.39Å; R400-F411 CarbonylContact C-O 3.55Å; R400-L412 HydrophobicContact CG-CD1 3.95Å; R400-L412 HydrophobicContact CG-CG 4.33Å | ||
| 401 | P | 85.9 | Confident | 86.9 | Confident | 73 Ų | 73 | 73.6 Ų | 73.6 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | trans | -63.9 | -25.3 | -167.3 | -24 | 34.5 | 0 | 0 | 0 | 114.5 | I399 | I399-P401 HydrophobicContact CG2-CG 4.25Š| ||
| 402 | H | 87.3 | Confident | 87 | Confident | 63 Ų | 63 | 72.7 Ų | 72.7 | 29% | 0.292 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 88.8 | -168.5 | -57.8 | -72.9 | 0 | 0 | 0 | 110.7 | R400 F411 R413 A414 M417 | R400-H402 PolarHBondContact O-N 2.9Å; R400-H402 VanDerWaalsContact O-N 3.15Å; H402-F411 HydrophobicContact CB-CB 4.41Å; H402-F411 WeakPolarHBondContact CB-O 3.47Å; H402-F411 PolarHBondContact N-O 3.47Å; H402-F411 VanDerWaalsContact N-O 3.08Å; H402-F411 PolarHBondContact O-N 2.88Å; H402-R413 VanDerWaalsContact CD2-CA 3.42Å; H402-R413 WeakPolarHBondContact CD2-CA 3.33Å; H402-A414 PolarHBondContact CD2-N 3.21Å; H402-A414 PolarHBondContact NE2-N 2.94Å; H402-M417 HydrophobicContact CB-CB 3.83Å; H402-M417 HydrophobicContact CB-CG 4.22Å; H402-M417 HydrophobicContact CB-SD 3.64Å |
| 403 | K | 87.9 | Confident | 87 | Confident | 154 Ų | 154 | 76.3 Ų | 76.3 | 67% | 0.67 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.6 | 177.3 | -61.8 | -179.6 | -177.7 | 177.8 | 0 | 110.5 | S405 A410 M417 | K403-S405 PolarHBondContact O-N 2.91Å; K403-A410 HydrophobicContact CG-CB 4.04Å; K403-M417 VanDerWaalsContact O-SD 3.34Å |
| 404 | C | 90.8 | Very high | 86.9 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.014 | 41% | 0.411 | C | S | . | . | trans | -68.5 | 124.3 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 111 | I406 C407 G408 K409 F411 M417 E421 H424 | C404-I406 PolarHBondContact O-N 3.24Å; C404-C407 PolarHBondContact O-N 3.01Å; C404-G408 WeakPolarHBondContact O-CA 3.46Å; C404-G408 PolarHBondContact O-N 3.43Å; C404-K409 PolarHBondContact N-O 2.95Å; C404-F411 HydrophobicContact CB-CE2 4.23Å; C404-M417 HydrophobicContact CB-CG 4.24Å; C404-E421 HydrophobicContact CB-CG 4.46Å; C404-E421 WeakPolarHBondContact SG-CG 3.47Å; C404-H424 VanDerWaalsContact SG-CD2 3.56Å; C404-H424 PolarHBondContact SG-NE2 2.86Å | ||
| 405 | S | 86.1 | Confident | 86.9 | Confident | 116 Ų | 116 | 76.9 Ų | 76.9 | 81% | 0.811 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.5 | -177.1 | 174.6 | 0 | 0 | 0 | 0 | 113.8 | K403 | K403-S405 PolarHBondContact O-N 2.91Š|
| 406 | I | 86 | Confident | 86.9 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -22.9 | -170.2 | -59.6 | 166.7 | 0 | 0 | 0 | 113.1 | C404 H424 | C404-I406 PolarHBondContact O-N 3.24Å; I406-H424 HydrophobicContact CB-CB 4.34Å; I406-H424 HydrophobicContact CD1-CB 3.62Å; I406-H424 HydrophobicContact CG2-CB 3.95Å |
| 407 | C | 89.6 | Confident | 87.1 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 30% | 0.304 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.1 | 16.3 | -178.8 | 77.4 | 0 | 0 | 0 | 0 | 115.4 | C404 K409 H420 H424 | C404-C407 PolarHBondContact O-N 3.01Å; C407-K409 PolarHBondContact O-N 3.46Å; C407-K409 VanDerWaalsContact SG-CD 3.58Å; C407-K409 VanDerWaalsContact SG-CG 3.57Å; C407-H420 PolarHBondContact SG-NE2 2.81Å; C407-H424 WeakPolarHBondContact CB-CE1 3.21Å; C407-H424 PolarHBondContact SG-CE1 3.5Å; C407-H424 PolarHBondContact SG-NE2 3.08Å |
| 408 | G | 86.8 | Confident | 87.3 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 55% | 0.546 | 42% | 0.423 | S | S | . | . | trans | 68.4 | -9.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | C404 A410 | C404-G408 WeakPolarHBondContact O-CA 3.46Å; C404-G408 PolarHBondContact O-N 3.43Å; G408-A410 PolarHBondContact O-N 2.87Å | ||
| 409 | K | 87.8 | Confident | 87.8 | Confident | 108 Ų | 108 | 76.8 Ų | 76.8 | 47% | 0.47 | 40% | 0.397 | S | S | . | . | trans | -60.8 | 127.4 | -174.8 | -72.2 | 177 | -170.3 | 171.4 | 0 | 111.3 | C404 C407 F411 | C404-K409 PolarHBondContact N-O 2.95Å; C407-K409 PolarHBondContact O-N 3.46Å; C407-K409 VanDerWaalsContact SG-CD 3.58Å; C407-K409 VanDerWaalsContact SG-CG 3.57Å; K409-F411 HydrophobicContact CB-CE2 3.88Å; K409-F411 HydrophobicContact CB-CZ 4.21Å; K409-F411 VanDerWaalsContact O-CD2 3.27Å; K409-F411 WeakPolarHBondContact O-CD2 3.32Å; K409-F411 WeakPolarHBondContact O-CE2 3.33Å | ||
| 410 | A | 90.2 | Very high | 88 | Confident | 29 Ų | 29 | 73 Ų | 73 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R400 K403 G408 | R400-A410 HydrophobicContact CB-CB 3.47Å; R400-A410 VanDerWaalsContact CB-CB 3.47Å; R400-A410 HydrophobicContact CG-CB 4.39Å; R400-A410 PolarHBondContact NH1-O 3.39Å; K403-A410 HydrophobicContact CG-CB 4.04Å; G408-A410 PolarHBondContact O-N 2.87Å |
| 411 | F | 88.5 | Confident | 88.1 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 21% | 0.206 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147.8 | -176.4 | -61 | -92.3 | 0 | 0 | 0 | 111.6 | R400 H402 C404 K409 R413 K416 M417 H420 | R400-F411 CarbonylContact C-O 3.55Å; H402-F411 HydrophobicContact CB-CB 4.41Å; H402-F411 WeakPolarHBondContact CB-O 3.47Å; H402-F411 PolarHBondContact N-O 3.47Å; H402-F411 VanDerWaalsContact N-O 3.08Å; H402-F411 PolarHBondContact O-N 2.88Å; C404-F411 HydrophobicContact CB-CE2 4.23Å; K409-F411 HydrophobicContact CB-CE2 3.88Å; K409-F411 HydrophobicContact CB-CZ 4.21Å; K409-F411 VanDerWaalsContact O-CD2 3.27Å; K409-F411 WeakPolarHBondContact O-CD2 3.32Å; K409-F411 WeakPolarHBondContact O-CE2 3.33Å; F411-R413 PolarHBondContact O-N 2.98Å; F411-K416 HydrophobicContact CB-CB 4.32Å; F411-K416 HydrophobicContact CD1-CB 4.01Å; F411-K416 HydrophobicContact CG-CB 4.43Å; F411-M417 HydrophobicContact CB-CB 4.28Å; F411-M417 HydrophobicContact CD2-CB 4.03Å; F411-M417 HydrophobicContact CD2-CG 4.25Å; F411-M417 HydrophobicContact CG-CB 4.34Å; F411-H420 HydrophobicContact CE1-CB 4.22Å; F411-H420 HydrophobicContact CE2-CB 4.04Å; F411-H420 AromaticContact CE2-CD2 3.33Å; F411-H420 WeakPolarHBondContact CE2-CD2 3.47Å; F411-H420 AromaticContact CE2-CG 3.89Å; F411-H420 HydrophobicContact CZ-CB 3.64Å; F411-H420 AromaticContact CZ-CD2 3.32Å; F411-H420 WeakPolarHBondContact CZ-CD2 3.49Å; F411-H420 AromaticContact CZ-CG 3.49Å; F411-H420 VanDerWaalsContact CZ-CG 3.49Å |
| 412 | L | 88.5 | Confident | 88.1 | Confident | 42 Ų | 42 | 68.5 Ų | 68.5 | 22% | 0.22 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -71.2 | -17 | 177.9 | -66.9 | 75.7 | 0 | 0 | 0 | 112.8 | L394 T395 R400 | L394-L412 WeakPolarHBondContact O-CD2 3.38Å; T395-L412 HydrophobicContact CG2-CD2 3.57Å; R400-L412 HydrophobicContact CG-CD1 3.95Å; R400-L412 HydrophobicContact CG-CG 4.33Å |
| 413 | R | 88.7 | Confident | 88 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -146.2 | 139.8 | -175.6 | -59 | -168.2 | -79.4 | 129.5 | -19.3 | 112.9 | H402 F411 D415 K416 M417 | H402-R413 VanDerWaalsContact CD2-CA 3.42Å; H402-R413 WeakPolarHBondContact CD2-CA 3.33Å; F411-R413 PolarHBondContact O-N 2.98Å; R413-D415 VanDerWaalsContact C-N 3.3Å; R413-D415 WeakPolarHBondContact CB-OD1 3.48Å; R413-D415 IonicContact CZ-OD1 2.9Å; R413-D415 IonicContact CZ-OD2 3.94Å; R413-D415 IonicContact NE-OD1 2.59Å; R413-D415 IonicContact NH1-OD1 3.6Å; R413-D415 PolarHBondContact NH1-OD1 2.95Å; R413-D415 IonicContact NH1-OD2 2.69Å; R413-D415 PolarHBondContact NH1-OD2 3.47Å; R413-D415 PolarHBondContact O-N 3.36Å; R413-K416 HydrophobicContact CB-CG 4.48Å; R413-K416 WeakPolarHBondContact O-CB 3.45Å; R413-K416 PolarHBondContact O-N 2.99Å; R413-M417 PolarHBondContact O-N 2.94Å |
| 414 | A | 88.1 | Confident | 87.9 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 40% | 0.397 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.6 | -38.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H402 K416 M417 R418 | H402-A414 PolarHBondContact CD2-N 3.21Å; H402-A414 PolarHBondContact NE2-N 2.94Å; A414-K416 PolarHBondContact O-N 3.36Å; A414-K416 VanDerWaalsContact O-N 3.14Å; A414-M417 PolarHBondContact O-N 3.45Å; A414-R418 PolarHBondContact O-N 3.16Å |
| 415 | D | 87.3 | Confident | 87.4 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 41% | 0.412 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.7 | -8.2 | 178 | 75.1 | -64.2 | 0 | 0 | 0 | 113.8 | R413 L419 | R413-D415 VanDerWaalsContact C-N 3.3Å; R413-D415 WeakPolarHBondContact CB-OD1 3.48Å; R413-D415 IonicContact CZ-OD1 2.9Å; R413-D415 IonicContact CZ-OD2 3.94Å; R413-D415 IonicContact NE-OD1 2.59Å; R413-D415 IonicContact NH1-OD1 3.6Å; R413-D415 PolarHBondContact NH1-OD1 2.95Å; R413-D415 IonicContact NH1-OD2 2.69Å; R413-D415 PolarHBondContact NH1-OD2 3.47Å; R413-D415 PolarHBondContact O-N 3.36Å; D415-L419 WeakPolarHBondContact O-CB 3.37Å |
| 416 | K | 87.4 | Confident | 86.9 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -99.9 | -34.3 | 172 | -64.7 | -73.1 | 146 | -69.9 | 0 | 111.4 | F411 R413 A414 H420 | F411-K416 HydrophobicContact CB-CB 4.32Å; F411-K416 HydrophobicContact CD1-CB 4.01Å; F411-K416 HydrophobicContact CG-CB 4.43Å; R413-K416 HydrophobicContact CB-CG 4.48Å; R413-K416 WeakPolarHBondContact O-CB 3.45Å; R413-K416 PolarHBondContact O-N 2.99Å; A414-K416 PolarHBondContact O-N 3.36Å; A414-K416 VanDerWaalsContact O-N 3.14Å; K416-H420 WeakPolarHBondContact O-CB 3.35Å; K416-H420 PolarHBondContact O-N 3.2Å; K416-H420 VanDerWaalsContact O-N 3.13Å |
| 417 | M | 91.6 | Very high | 86.5 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 19% | 0.192 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.7 | -55.5 | 169.4 | -172.2 | -168.5 | 84.8 | 0 | 0 | 111.7 | H402 K403 C404 F411 R413 A414 L419 H420 E421 | H402-M417 HydrophobicContact CB-CB 3.83Å; H402-M417 HydrophobicContact CB-CG 4.22Å; H402-M417 HydrophobicContact CB-SD 3.64Å; K403-M417 VanDerWaalsContact O-SD 3.34Å; C404-M417 HydrophobicContact CB-CG 4.24Å; F411-M417 HydrophobicContact CB-CB 4.28Å; F411-M417 HydrophobicContact CD2-CB 4.03Å; F411-M417 HydrophobicContact CD2-CG 4.25Å; F411-M417 HydrophobicContact CG-CB 4.34Å; R413-M417 PolarHBondContact O-N 2.94Å; A414-M417 PolarHBondContact O-N 3.45Å; M417-L419 VanDerWaalsContact C-N 3.25Å; M417-L419 PolarHBondContact O-N 2.54Å; M417-H420 CarbonylContact O-C 3.42Å; M417-H420 WeakPolarHBondContact O-CA 3.47Å; M417-H420 WeakPolarHBondContact O-CB 3.43Å; M417-H420 PolarHBondContact O-N 3.23Å; M417-E421 WeakPolarHBondContact CE-OE1 3.41Å; M417-E421 PolarHBondContact O-N 3.31Å |
| 418 | R | 88.1 | Confident | 86.3 | Confident | 187 Ų | 187 | 70.7 Ų | 70.7 | 71% | 0.706 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.2 | -35.9 | 179.9 | -170.2 | 175.5 | -178.4 | 176.5 | 2 | 112.9 | A414 H420 E421 I422 | A414-R418 PolarHBondContact O-N 3.16Å; R418-H420 VanDerWaalsContact C-N 3.32Å; R418-E421 WeakPolarHBondContact CA-OE2 3.29Å; R418-E421 PolarHBondContact O-N 2.8Å; R418-I422 WeakPolarHBondContact O-CG1 3.37Å; R418-I422 PolarHBondContact O-N 3.23Å; R418-I422 VanDerWaalsContact O-N 3.15Å |
| 419 | L | 87.3 | Confident | 86.1 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.8 | -28.4 | 174.6 | 176.3 | 58.3 | 0 | 0 | 0 | 113.1 | D415 M417 R441 | D415-L419 WeakPolarHBondContact O-CB 3.37Å; M417-L419 VanDerWaalsContact C-N 3.25Å; M417-L419 PolarHBondContact O-N 2.54Å; L419-R441 HydrophobicContact CD1-CG 3.5Å; L419-R441 HydrophobicContact CD2-CG 4.4Å |
| 420 | H | 88.5 | Confident | 86.1 | Confident | 30 Ų | 30 | 69.9 Ų | 69.9 | 14% | 0.139 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -79.5 | -32.3 | 172 | 173.7 | 50 | 0 | 0 | 0 | 112 | C407 F411 K416 M417 R418 I422 S423 H424 | C407-H420 PolarHBondContact SG-NE2 2.81Å; F411-H420 HydrophobicContact CE1-CB 4.22Å; F411-H420 HydrophobicContact CE2-CB 4.04Å; F411-H420 AromaticContact CE2-CD2 3.33Å; F411-H420 WeakPolarHBondContact CE2-CD2 3.47Å; F411-H420 AromaticContact CE2-CG 3.89Å; F411-H420 HydrophobicContact CZ-CB 3.64Å; F411-H420 AromaticContact CZ-CD2 3.32Å; F411-H420 WeakPolarHBondContact CZ-CD2 3.49Å; F411-H420 AromaticContact CZ-CG 3.49Å; F411-H420 VanDerWaalsContact CZ-CG 3.49Å; K416-H420 WeakPolarHBondContact O-CB 3.35Å; K416-H420 PolarHBondContact O-N 3.2Å; K416-H420 VanDerWaalsContact O-N 3.13Å; M417-H420 CarbonylContact O-C 3.42Å; M417-H420 WeakPolarHBondContact O-CA 3.47Å; M417-H420 WeakPolarHBondContact O-CB 3.43Å; M417-H420 PolarHBondContact O-N 3.23Å; R418-H420 VanDerWaalsContact C-N 3.32Å; H420-I422 VanDerWaalsContact C-N 3.33Å; H420-I422 PolarHBondContact O-N 2.77Å; H420-S423 PolarHBondContact ND1-OG 3.38Å; H420-S423 WeakPolarHBondContact O-CA 3.43Å; H420-S423 WeakPolarHBondContact O-CB 3.24Å; H420-S423 PolarHBondContact O-N 2.81Å; H420-S423 PolarHBondContact O-OG 2.91Å; H420-H424 AromaticContact CD2-NE2 3.1Å; H420-H424 PolarHBondContact CD2-NE2 3.04Å; H420-H424 AromaticContact CE1-CD2 3.94Å; H420-H424 AromaticContact CE1-CE1 3.95Å; H420-H424 AromaticContact CE1-NE2 2.95Å; H420-H424 PolarHBondContact CE1-NE2 2.82Å; H420-H424 AromaticContact CG-NE2 3.97Å; H420-H424 AromaticContact ND1-NE2 3.88Å; H420-H424 AromaticContact NE2-CD2 3.85Å; H420-H424 AromaticContact NE2-NE2 2.34Å; H420-H424 PolarHBondContact NE2-NE2 3.3Å; H420-H424 PolarHBondContact O-N 3.43Å |
| 421 | E | 87.1 | Confident | 86 | Confident | 42 Ų | 42 | 72.1 Ų | 72.1 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 173.2 | -73.3 | 158.6 | 168.5 | 0 | 0 | 111.6 | C404 M417 R418 S423 H424 L425 | C404-E421 HydrophobicContact CB-CG 4.46Å; C404-E421 WeakPolarHBondContact SG-CG 3.47Å; M417-E421 WeakPolarHBondContact CE-OE1 3.41Å; M417-E421 PolarHBondContact O-N 3.31Å; R418-E421 WeakPolarHBondContact CA-OE2 3.29Å; R418-E421 PolarHBondContact O-N 2.8Å; E421-S423 PolarHBondContact O-N 3.38Å; E421-H424 WeakPolarHBondContact O-CB 3.39Å; E421-H424 PolarHBondContact O-N 3.23Å; E421-L425 PolarHBondContact O-N 3.34Å; E421-L425 VanDerWaalsContact O-N 3.16Å |
| 422 | I | 86 | Confident | 86.1 | Confident | 52 Ų | 52 | 69.9 Ų | 69.9 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.4 | -31.2 | 168.4 | -66.4 | 166.6 | 0 | 0 | 0 | 111.9 | R418 H420 | R418-I422 WeakPolarHBondContact O-CG1 3.37Å; R418-I422 PolarHBondContact O-N 3.23Å; R418-I422 VanDerWaalsContact O-N 3.15Å; H420-I422 VanDerWaalsContact C-N 3.33Å; H420-I422 PolarHBondContact O-N 2.77Å |
| 423 | S | 86 | Confident | 86.1 | Confident | 55 Ų | 55 | 72.1 Ų | 72.1 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -77 | -16.7 | 176.1 | 73.4 | 0 | 0 | 0 | 0 | 114.7 | H420 E421 | H420-S423 PolarHBondContact ND1-OG 3.38Å; H420-S423 WeakPolarHBondContact O-CA 3.43Å; H420-S423 WeakPolarHBondContact O-CB 3.24Å; H420-S423 PolarHBondContact O-N 2.81Å; H420-S423 PolarHBondContact O-OG 2.91Å; E421-S423 PolarHBondContact O-N 3.38Å |
| 424 | H | 86 | Confident | 86.1 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -83.5 | -38.6 | 170.1 | -72 | -63.8 | 0 | 0 | 0 | 112.4 | C404 I406 C407 H420 E421 N426 | C404-H424 VanDerWaalsContact SG-CD2 3.56Å; C404-H424 PolarHBondContact SG-NE2 2.86Å; I406-H424 HydrophobicContact CB-CB 4.34Å; I406-H424 HydrophobicContact CD1-CB 3.62Å; I406-H424 HydrophobicContact CG2-CB 3.95Å; C407-H424 WeakPolarHBondContact CB-CE1 3.21Å; C407-H424 PolarHBondContact SG-CE1 3.5Å; C407-H424 PolarHBondContact SG-NE2 3.08Å; H420-H424 AromaticContact CD2-NE2 3.1Å; H420-H424 PolarHBondContact CD2-NE2 3.04Å; H420-H424 AromaticContact CE1-CD2 3.94Å; H420-H424 AromaticContact CE1-CE1 3.95Å; H420-H424 AromaticContact CE1-NE2 2.95Å; H420-H424 PolarHBondContact CE1-NE2 2.82Å; H420-H424 AromaticContact CG-NE2 3.97Å; H420-H424 AromaticContact ND1-NE2 3.88Å; H420-H424 AromaticContact NE2-CD2 3.85Å; H420-H424 AromaticContact NE2-NE2 2.34Å; H420-H424 PolarHBondContact NE2-NE2 3.3Å; H420-H424 PolarHBondContact O-N 3.43Å; E421-H424 WeakPolarHBondContact O-CB 3.39Å; E421-H424 PolarHBondContact O-N 3.23Å; H424-N426 PolarHBondContact O-N 3.05Å; H424-N426 VanDerWaalsContact O-N 3.08Å; H424-N426 PolarHBondContact O-ND2 3.39Å |
| 425 | L | 80.7 | Confident | 86.2 | Confident | 114 Ų | 114 | 72 Ų | 72 | 60% | 0.597 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -63.9 | -12.1 | 175.8 | -62.8 | 175.6 | 0 | 0 | 0 | 112.9 | E421 V427 | E421-L425 PolarHBondContact O-N 3.34Å; E421-L425 VanDerWaalsContact O-N 3.16Å; L425-V427 HydrophobicContact CB-CB 4.39Å; L425-V427 HydrophobicContact CB-CG2 4.05Å; L425-V427 PolarHBondContact O-N 3.02Å |
| 426 | N | 75.4 | Confident | 86.2 | Confident | 115 Ų | 115 | 75.7 Ų | 75.7 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | trans | 56.5 | -0.4 | -171.4 | -67.2 | -75.9 | 0 | 0 | 0 | 115.2 | H424 K428 | H424-N426 PolarHBondContact O-N 3.05Å; H424-N426 VanDerWaalsContact O-N 3.08Å; H424-N426 PolarHBondContact O-ND2 3.39Å; N426-K428 PolarHBondContact O-N 3.17Å | ||
| 427 | V | 77.9 | Confident | 86.2 | Confident | 80 Ų | 80 | 77.5 Ų | 77.5 | 49% | 0.485 | 40% | 0.401 | S | S | . | . | trans | -63.8 | 123.2 | 177 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | L425 P429 | L425-V427 HydrophobicContact CB-CB 4.39Å; L425-V427 HydrophobicContact CB-CG2 4.05Å; L425-V427 PolarHBondContact O-N 3.02Å; V427-P429 WeakPolarHBondContact O-CD 3.26Å | ||
| 428 | K | 84.1 | Confident | 86.1 | Confident | 104 Ų | 104 | 81.4 Ų | 81.4 | 45% | 0.452 | 41% | 0.414 | S | S | . | . | trans | -109.8 | 93.8 | 173 | -57.9 | -169.1 | -162 | 168.7 | 0 | 107.9 | N426 R438 F439 T440 | N426-K428 PolarHBondContact O-N 3.17Å; K428-R438 HydrophobicContact CB-CB 3.55Å; K428-R438 HydrophobicContact CD-CB 4.29Å; K428-R438 WeakPolarHBondContact CD-O 3.45Å; K428-R438 PolarHBondContact O-NE 3.23Å; K428-R438 PolarHBondContact O-NH2 2.85Å; K428-F439 CarbonylContact C-O 3.41Å; K428-F439 WeakPolarHBondContact CA-O 3.44Å; K428-T440 HydrophobicContact CG-CG2 4.06Å | ||
| 429 | P | 83.5 | Confident | 86.1 | Confident | 65 Ų | 65 | 74.6 Ų | 74.6 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | trans | -79.8 | -17.1 | -170.9 | 29.7 | -33.3 | 0 | 0 | 0 | 113.8 | V427 F439 | V427-P429 WeakPolarHBondContact O-CD 3.26Å; P429-F439 WeakPolarHBondContact CD-O 3.44Å | ||
| 430 | F | 86.4 | Confident | 86.2 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 35% | 0.346 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 102.2 | -177.2 | -59.6 | -78.9 | 0 | 0 | 0 | 110.8 | R438 F439 R441 S442 L445 | F430-R438 CarbonylContact O-C 3.21Å; F430-R438 WeakPolarHBondContact O-CA 3.35Å; F430-F439 HydrophobicContact CB-CB 4.39Å; F430-F439 PolarHBondContact N-O 3.3Å; F430-F439 VanDerWaalsContact N-O 3.09Å; F430-F439 PolarHBondContact O-N 2.92Å; F430-R441 VanDerWaalsContact CD2-CA 3.47Å; F430-S442 VanDerWaalsContact CD2-N 3.35Å; F430-L445 HydrophobicContact CB-CB 4.15Å; F430-L445 HydrophobicContact CB-CD2 3.9Å |
| 431 | E | 88.9 | Confident | 86.1 | Confident | 76 Ų | 76 | 77.4 Ų | 77.4 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 143.8 | 177.8 | -169.8 | 160.3 | 138 | 0 | 0 | 112.5 | K436 R438 L445 | E431-K436 WeakPolarHBondContact OE1-CB 3.48Å; E431-R438 HydrophobicContact CB-CG 4.01Å; E431-R438 HydrophobicContact CG-CG 3.85Å; E431-R438 VanDerWaalsContact OE2-CD 3.24Å; E431-R438 WeakPolarHBondContact OE2-CD 3.47Å; E431-R438 WeakPolarHBondContact OE2-CG 3.22Å; E431-R438 IonicContact OE2-CZ 3.58Å; E431-R438 IonicContact OE2-NE 3.28Å; E431-R438 IonicContact OE2-NH1 2.75Å; E431-R438 PolarHBondContact OE2-NH1 2.94Å; E431-L445 WeakPolarHBondContact O-CD2 3.48Å |
| 432 | C | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -86.7 | 117.1 | 170.4 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | T434 C435 K436 Q437 F439 L445 H449 H452 | C432-T434 PolarHBondContact O-N 3.41Å; C432-C435 PolarHBondContact O-N 3.16Å; C432-K436 WeakPolarHBondContact O-CA 3.29Å; C432-K436 PolarHBondContact O-N 2.91Å; C432-Q437 WeakPolarHBondContact CB-O 3.29Å; C432-Q437 PolarHBondContact N-O 3.18Å; C432-F439 HydrophobicContact CB-CE2 4.36Å; C432-L445 HydrophobicContact CB-CD1 3.61Å; C432-H449 VanDerWaalsContact SG-CD2 3.52Å; C432-H449 PolarHBondContact SG-NE2 3.28Å; C432-H452 PolarHBondContact SG-CD2 2.97Å; C432-H452 PolarHBondContact SG-NE2 2.83Å | ||
| 433 | A | 87.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 78.7 Ų | 78.7 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -37.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 434 | T | 87.9 | Confident | 86.5 | Confident | 96 Ų | 96 | 79.9 Ų | 79.9 | 59% | 0.589 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -30.9 | -174.3 | -42.4 | 0 | 0 | 0 | 0 | 114.2 | C432 H452 | C432-T434 PolarHBondContact O-N 3.41Å; T434-H452 HydrophobicContact CG2-CB 4.19Å |
| 435 | C | 90.5 | Very high | 86.7 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | 9.1 | -174.7 | 71.8 | 0 | 0 | 0 | 0 | 115.3 | C432 Q437 H448 H452 | C432-C435 PolarHBondContact O-N 3.16Å; C435-Q437 PolarHBondContact O-N 3.14Å; C435-Q437 VanDerWaalsContact SG-CG 3.57Å; C435-H448 PolarHBondContact SG-NE2 2.58Å; C435-H452 WeakPolarHBondContact CB-CE1 3.21Å; C435-H452 PolarHBondContact SG-CE1 3.47Å; C435-H452 PolarHBondContact SG-NE2 3.03Å |
| 436 | K | 87.4 | Confident | 87.2 | Confident | 155 Ų | 155 | 80.6 Ų | 80.6 | 67% | 0.674 | 41% | 0.413 | S | S | * | . | trans | 56.3 | 12.8 | 179.3 | -53.6 | -173 | -177.9 | -178.3 | 0 | 115.3 | E431 C432 R438 | E431-K436 WeakPolarHBondContact OE1-CB 3.48Å; C432-K436 WeakPolarHBondContact O-CA 3.29Å; C432-K436 PolarHBondContact O-N 2.91Å; K436-R438 PolarHBondContact O-N 3.47Å | ||
| 437 | Q | 88.4 | Confident | 87.8 | Confident | 110 Ų | 110 | 77.3 Ų | 77.3 | 51% | 0.514 | 40% | 0.395 | S | S | . | . | trans | -68.4 | 129.9 | 172.4 | -72.8 | -63.7 | -30.5 | 0 | 0 | 110.2 | C432 C435 F439 | C432-Q437 WeakPolarHBondContact CB-O 3.29Å; C432-Q437 PolarHBondContact N-O 3.18Å; C435-Q437 PolarHBondContact O-N 3.14Å; C435-Q437 VanDerWaalsContact SG-CG 3.57Å; Q437-F439 HydrophobicContact CB-CE2 3.85Å; Q437-F439 HydrophobicContact CB-CZ 4.05Å; Q437-F439 WeakPolarHBondContact O-CD2 3.33Å; Q437-F439 VanDerWaalsContact O-CE2 3.26Å; Q437-F439 WeakPolarHBondContact O-CE2 3.35Å | ||
| 438 | R | 89.4 | Confident | 88.4 | Confident | 120 Ų | 120 | 75 Ų | 75 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.1 | -175.8 | -57.2 | -177.1 | 69.2 | 121.9 | -10.1 | 111.3 | K428 F430 E431 K436 | K428-R438 HydrophobicContact CB-CB 3.55Å; K428-R438 HydrophobicContact CD-CB 4.29Å; K428-R438 WeakPolarHBondContact CD-O 3.45Å; K428-R438 PolarHBondContact O-NE 3.23Å; K428-R438 PolarHBondContact O-NH2 2.85Å; F430-R438 CarbonylContact O-C 3.21Å; F430-R438 WeakPolarHBondContact O-CA 3.35Å; E431-R438 HydrophobicContact CB-CG 4.01Å; E431-R438 HydrophobicContact CG-CG 3.85Å; E431-R438 VanDerWaalsContact OE2-CD 3.24Å; E431-R438 WeakPolarHBondContact OE2-CD 3.47Å; E431-R438 WeakPolarHBondContact OE2-CG 3.22Å; E431-R438 IonicContact OE2-CZ 3.58Å; E431-R438 IonicContact OE2-NE 3.28Å; E431-R438 IonicContact OE2-NH1 2.75Å; E431-R438 PolarHBondContact OE2-NH1 2.94Å; K436-R438 PolarHBondContact O-N 3.47Å |
| 439 | F | 88 | Confident | 88.7 | Confident | 45 Ų | 45 | 73.2 Ų | 73.2 | 20% | 0.197 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 149.3 | -176.2 | -60.9 | -88.4 | 0 | 0 | 0 | 111.6 | K428 P429 F430 C432 Q437 R441 K444 L445 H448 | K428-F439 CarbonylContact C-O 3.41Å; K428-F439 WeakPolarHBondContact CA-O 3.44Å; P429-F439 WeakPolarHBondContact CD-O 3.44Å; F430-F439 HydrophobicContact CB-CB 4.39Å; F430-F439 PolarHBondContact N-O 3.3Å; F430-F439 VanDerWaalsContact N-O 3.09Å; F430-F439 PolarHBondContact O-N 2.92Å; C432-F439 HydrophobicContact CB-CE2 4.36Å; Q437-F439 HydrophobicContact CB-CE2 3.85Å; Q437-F439 HydrophobicContact CB-CZ 4.05Å; Q437-F439 WeakPolarHBondContact O-CD2 3.33Å; Q437-F439 VanDerWaalsContact O-CE2 3.26Å; Q437-F439 WeakPolarHBondContact O-CE2 3.35Å; F439-R441 PolarHBondContact O-N 2.85Å; F439-K444 HydrophobicContact CB-CB 4.24Å; F439-K444 HydrophobicContact CD1-CB 3.96Å; F439-K444 HydrophobicContact CG-CB 4.37Å; F439-L445 HydrophobicContact CB-CB 4.46Å; F439-L445 HydrophobicContact CD2-CB 4.16Å; F439-L445 HydrophobicContact CD2-CD1 3.97Å; F439-L445 HydrophobicContact CE2-CD1 4.22Å; F439-L445 HydrophobicContact CG-CB 4.45Å; F439-H448 HydrophobicContact CE1-CB 4.07Å; F439-H448 HydrophobicContact CE2-CB 4.06Å; F439-H448 AromaticContact CE2-CD2 3.22Å; F439-H448 WeakPolarHBondContact CE2-CD2 3.33Å; F439-H448 AromaticContact CE2-CG 3.72Å; F439-H448 AromaticContact CE2-NE2 3.89Å; F439-H448 HydrophobicContact CZ-CB 3.62Å; F439-H448 AromaticContact CZ-CD2 3.29Å; F439-H448 WeakPolarHBondContact CZ-CD2 3.44Å; F439-H448 AromaticContact CZ-CG 3.33Å; F439-H448 AromaticContact CZ-ND1 3.95Å; F439-H448 AromaticContact CZ-NE2 3.87Å |
| 440 | T | 88 | Confident | 89 | Confident | 47 Ų | 47 | 73.2 Ų | 73.2 | 29% | 0.288 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -74.3 | -10.8 | 175.1 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | K428 | K428-T440 HydrophobicContact CG-CG2 4.06Š|
| 441 | R | 87.8 | Confident | 89.1 | Confident | 82 Ų | 82 | 73.6 Ų | 73.6 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -148.9 | 139.1 | -170 | -69.2 | 171.1 | 61.7 | 149.4 | 1.5 | 112.6 | L419 F430 F439 D443 K444 L445 | L419-R441 HydrophobicContact CD1-CG 3.5Å; L419-R441 HydrophobicContact CD2-CG 4.4Å; F430-R441 VanDerWaalsContact CD2-CA 3.47Å; F439-R441 PolarHBondContact O-N 2.85Å; R441-D443 IonicContact CZ-OD1 2.81Å; R441-D443 IonicContact CZ-OD2 2.73Å; R441-D443 IonicContact NE-OD1 3.83Å; R441-D443 PolarHBondContact NE-OD1 2.34Å; R441-D443 IonicContact NE-OD2 3.15Å; R441-D443 VanDerWaalsContact NH2-CG 3.3Å; R441-D443 IonicContact NH2-OD1 2.71Å; R441-D443 PolarHBondContact NH2-OD1 2.95Å; R441-D443 IonicContact NH2-OD2 3.59Å; R441-D443 PolarHBondContact NH2-OD2 3.1Å; R441-D443 PolarHBondContact O-N 3.03Å; R441-K444 HydrophobicContact CB-CB 4.27Å; R441-K444 HydrophobicContact CB-CG 3.84Å; R441-K444 WeakPolarHBondContact O-CB 3.44Å; R441-K444 PolarHBondContact O-N 3.46Å; R441-K444 VanDerWaalsContact O-N 3.08Å; R441-L445 PolarHBondContact O-N 3.2Å; R441-L445 VanDerWaalsContact O-N 3.1Å |
| 442 | S | 88.9 | Confident | 89.1 | Confident | 69 Ų | 69 | 74 Ų | 74 | 48% | 0.483 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 174.6 | 54 | 0 | 0 | 0 | 0 | 113.6 | F430 K444 L445 K446 | F430-S442 VanDerWaalsContact CD2-N 3.35Å; S442-K444 VanDerWaalsContact C-N 3.26Å; S442-K444 PolarHBondContact O-N 2.99Å; S442-L445 PolarHBondContact O-N 3.24Å; S442-K446 WeakPolarHBondContact O-CB 3.2Å; S442-K446 PolarHBondContact O-N 2.9Å |
| 443 | D | 87.9 | Confident | 89 | Confident | 52 Ų | 52 | 78.2 Ų | 78.2 | 28% | 0.278 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.3 | -28.5 | 175 | 67.4 | -85.7 | 0 | 0 | 0 | 112.8 | R441 I447 | R441-D443 IonicContact CZ-OD1 2.81Å; R441-D443 IonicContact CZ-OD2 2.73Å; R441-D443 IonicContact NE-OD1 3.83Å; R441-D443 PolarHBondContact NE-OD1 2.34Å; R441-D443 IonicContact NE-OD2 3.15Å; R441-D443 VanDerWaalsContact NH2-CG 3.3Å; R441-D443 IonicContact NH2-OD1 2.71Å; R441-D443 PolarHBondContact NH2-OD1 2.95Å; R441-D443 IonicContact NH2-OD2 3.59Å; R441-D443 PolarHBondContact NH2-OD2 3.1Å; R441-D443 PolarHBondContact O-N 3.03Å; D443-I447 WeakPolarHBondContact O-CB 3.35Å; D443-I447 WeakPolarHBondContact O-CD1 3.33Å; D443-I447 WeakPolarHBondContact O-CG1 3.43Å; D443-I447 PolarHBondContact O-N 3.33Å |
| 444 | K | 89.6 | Confident | 88.9 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 35% | 0.352 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -75.7 | -41.2 | 175.3 | -58.1 | -59.3 | 175.3 | -127.8 | 0 | 110.8 | F439 R441 S442 I447 H448 | F439-K444 HydrophobicContact CB-CB 4.24Å; F439-K444 HydrophobicContact CD1-CB 3.96Å; F439-K444 HydrophobicContact CG-CB 4.37Å; R441-K444 HydrophobicContact CB-CB 4.27Å; R441-K444 HydrophobicContact CB-CG 3.84Å; R441-K444 WeakPolarHBondContact O-CB 3.44Å; R441-K444 PolarHBondContact O-N 3.46Å; R441-K444 VanDerWaalsContact O-N 3.08Å; S442-K444 VanDerWaalsContact C-N 3.26Å; S442-K444 PolarHBondContact O-N 2.99Å; K444-I447 PolarHBondContact O-N 2.51Å; K444-H448 VanDerWaalsContact O-CB 3.29Å; K444-H448 WeakPolarHBondContact O-CB 3.46Å; K444-H448 PolarHBondContact O-N 3.47Å |
| 445 | L | 91.7 | Very high | 89 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 169.7 | 176.5 | 59.4 | 0 | 0 | 0 | 111.8 | F430 E431 C432 F439 R441 S442 I447 H448 H449 | F430-L445 HydrophobicContact CB-CB 4.15Å; F430-L445 HydrophobicContact CB-CD2 3.9Å; E431-L445 WeakPolarHBondContact O-CD2 3.48Å; C432-L445 HydrophobicContact CB-CD1 3.61Å; F439-L445 HydrophobicContact CB-CB 4.46Å; F439-L445 HydrophobicContact CD2-CB 4.16Å; F439-L445 HydrophobicContact CD2-CD1 3.97Å; F439-L445 HydrophobicContact CE2-CD1 4.22Å; F439-L445 HydrophobicContact CG-CB 4.45Å; R441-L445 PolarHBondContact O-N 3.2Å; R441-L445 VanDerWaalsContact O-N 3.1Å; S442-L445 PolarHBondContact O-N 3.24Å; L445-I447 PolarHBondContact O-N 3.31Å; L445-H448 CarbonylContact O-C 3.56Å; L445-H448 WeakPolarHBondContact O-CA 3.4Å; L445-H448 WeakPolarHBondContact O-CB 3.47Å; L445-H448 PolarHBondContact O-N 2.9Å; L445-H448 VanDerWaalsContact O-N 3.08Å; L445-H449 PolarHBondContact O-N 2.92Å |
| 446 | K | 89.6 | Confident | 89 | Confident | 156 Ų | 156 | 79.3 Ų | 79.3 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.5 | -34.7 | 179.6 | -167.2 | 164.7 | -173.5 | 167.4 | 0 | 112.9 | S442 H448 | S442-K446 WeakPolarHBondContact O-CB 3.2Å; S442-K446 PolarHBondContact O-N 2.9Å; K446-H448 VanDerWaalsContact C-N 3.34Å |
| 447 | I | 89.6 | Confident | 89.1 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69 | -33.3 | 171 | -74.4 | 168.2 | 0 | 0 | 0 | 111.5 | D443 K444 L445 R469 | D443-I447 WeakPolarHBondContact O-CB 3.35Å; D443-I447 WeakPolarHBondContact O-CD1 3.33Å; D443-I447 WeakPolarHBondContact O-CG1 3.43Å; D443-I447 PolarHBondContact O-N 3.33Å; K444-I447 PolarHBondContact O-N 2.51Å; L445-I447 PolarHBondContact O-N 3.31Å; I447-R469 HydrophobicContact CG2-CG 3.75Å |
| 448 | H | 90.5 | Very high | 89.2 | Confident | 31 Ų | 31 | 73.2 Ų | 73.2 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -76.3 | -35.8 | 176.2 | 170.8 | 59.3 | 0 | 0 | 0 | 113.1 | C435 F439 K444 L445 K446 R450 T451 H452 | C435-H448 PolarHBondContact SG-NE2 2.58Å; F439-H448 HydrophobicContact CE1-CB 4.07Å; F439-H448 HydrophobicContact CE2-CB 4.06Å; F439-H448 AromaticContact CE2-CD2 3.22Å; F439-H448 WeakPolarHBondContact CE2-CD2 3.33Å; F439-H448 AromaticContact CE2-CG 3.72Å; F439-H448 AromaticContact CE2-NE2 3.89Å; F439-H448 HydrophobicContact CZ-CB 3.62Å; F439-H448 AromaticContact CZ-CD2 3.29Å; F439-H448 WeakPolarHBondContact CZ-CD2 3.44Å; F439-H448 AromaticContact CZ-CG 3.33Å; F439-H448 AromaticContact CZ-ND1 3.95Å; F439-H448 AromaticContact CZ-NE2 3.87Å; K444-H448 VanDerWaalsContact O-CB 3.29Å; K444-H448 WeakPolarHBondContact O-CB 3.46Å; K444-H448 PolarHBondContact O-N 3.47Å; L445-H448 CarbonylContact O-C 3.56Å; L445-H448 WeakPolarHBondContact O-CA 3.4Å; L445-H448 WeakPolarHBondContact O-CB 3.47Å; L445-H448 PolarHBondContact O-N 2.9Å; L445-H448 VanDerWaalsContact O-N 3.08Å; K446-H448 VanDerWaalsContact C-N 3.34Å; H448-R450 PolarHBondContact O-N 3.28Å; H448-R450 VanDerWaalsContact O-N 3.15Å; H448-T451 PolarHBondContact ND1-OG1 3.49Å; H448-T451 WeakPolarHBondContact O-CB 3.41Å; H448-T451 PolarHBondContact O-N 2.97Å; H448-T451 PolarHBondContact O-OG1 3.44Å; H448-H452 AromaticContact CD2-NE2 3.26Å; H448-H452 PolarHBondContact CD2-NE2 3.2Å; H448-H452 VanDerWaalsContact CD2-NE2 3.26Å; H448-H452 AromaticContact CE1-CE1 3.95Å; H448-H452 AromaticContact CE1-NE2 2.82Å; H448-H452 PolarHBondContact CE1-NE2 3Å; H448-H452 AromaticContact ND1-NE2 3.86Å; H448-H452 AromaticContact NE2-CD2 3.89Å; H448-H452 AromaticContact NE2-NE2 2.29Å; H448-H452 PolarHBondContact NE2-NE2 2.7Å |
| 449 | H | 88.9 | Confident | 89.3 | Confident | 67 Ų | 67 | 70 Ų | 70 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.8 | -30.3 | 172.6 | -91.9 | -136.8 | 0 | 0 | 0 | 112.2 | C432 L445 T451 H452 T453 | C432-H449 VanDerWaalsContact SG-CD2 3.52Å; C432-H449 PolarHBondContact SG-NE2 3.28Å; L445-H449 PolarHBondContact O-N 2.92Å; H449-T451 PolarHBondContact O-N 2.98Å; H449-H452 PolarHBondContact O-N 2.92Å; H449-T453 PolarHBondContact O-N 3.4Å; H449-T453 PolarHBondContact O-OG1 3.16Å |
| 450 | R | 90.3 | Very high | 89.5 | Confident | 65 Ų | 65 | 68.3 Ų | 68.3 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.4 | -13.2 | 170.9 | -65.1 | -179.6 | 177.4 | 175.6 | -2.7 | 114.7 | H448 G454 T468 | H448-R450 PolarHBondContact O-N 3.28Å; H448-R450 VanDerWaalsContact O-N 3.15Å; R450-G454 PolarHBondContact O-N 2.92Å; R450-T468 HydrophobicContact CB-CG2 4.26Å; R450-T468 PolarHBondContact NH1-O 3.48Å |
| 451 | T | 89.2 | Confident | 89.6 | Confident | 86 Ų | 86 | 71.8 Ų | 71.8 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -86.1 | -20.1 | 170.7 | 66.6 | 0 | 0 | 0 | 0 | 112.7 | H448 H449 | H448-T451 PolarHBondContact ND1-OG1 3.49Å; H448-T451 WeakPolarHBondContact O-CB 3.41Å; H448-T451 PolarHBondContact O-N 2.97Å; H448-T451 PolarHBondContact O-OG1 3.44Å; H449-T451 PolarHBondContact O-N 2.98Å |
| 452 | H | 88.7 | Confident | 89.6 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 39% | 0.389 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -87.4 | -44.7 | 171.5 | -61.2 | -53.1 | 0 | 0 | 0 | 111.6 | C432 T434 C435 H448 H449 G454 | C432-H452 PolarHBondContact SG-CD2 2.97Å; C432-H452 PolarHBondContact SG-NE2 2.83Å; T434-H452 HydrophobicContact CG2-CB 4.19Å; C435-H452 WeakPolarHBondContact CB-CE1 3.21Å; C435-H452 PolarHBondContact SG-CE1 3.47Å; C435-H452 PolarHBondContact SG-NE2 3.03Å; H448-H452 AromaticContact CD2-NE2 3.26Å; H448-H452 PolarHBondContact CD2-NE2 3.2Å; H448-H452 VanDerWaalsContact CD2-NE2 3.26Å; H448-H452 AromaticContact CE1-CE1 3.95Å; H448-H452 AromaticContact CE1-NE2 2.82Å; H448-H452 PolarHBondContact CE1-NE2 3Å; H448-H452 AromaticContact ND1-NE2 3.86Å; H448-H452 AromaticContact NE2-CD2 3.89Å; H448-H452 AromaticContact NE2-NE2 2.29Å; H448-H452 PolarHBondContact NE2-NE2 2.7Å; H449-H452 PolarHBondContact O-N 2.92Å; H452-G454 VanDerWaalsContact C-N 3.25Å; H452-G454 PolarHBondContact O-N 3.46Å |
| 453 | T | 89 | Confident | 89.7 | Confident | 90 Ų | 90 | 71.8 Ų | 71.8 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -79.7 | -2.3 | 179.6 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | H449 V455 | H449-T453 PolarHBondContact O-N 3.4Å; H449-T453 PolarHBondContact O-OG1 3.16Å; T453-V455 PolarHBondContact O-N 3.47Å; T453-V455 WeakPolarHBondContact OG1-CG2 3.23Å |
| 454 | G | 86.6 | Confident | 89.8 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 47% | 0.474 | 41% | 0.405 | S | S | . | . | trans | 64.9 | -1.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116 | R450 H452 R456 | R450-G454 PolarHBondContact O-N 2.92Å; H452-G454 VanDerWaalsContact C-N 3.25Å; H452-G454 PolarHBondContact O-N 3.46Å; G454-R456 WeakPolarHBondContact O-CG 3.35Å; G454-R456 PolarHBondContact O-N 3.06Å | ||
| 455 | V | 88.6 | Confident | 89.8 | Confident | 75 Ų | 75 | 77.8 Ų | 77.8 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | trans | -65.6 | 113.6 | -168.9 | 174.1 | 0 | 0 | 0 | 0 | 112.4 | T453 P457 | T453-V455 PolarHBondContact O-N 3.47Å; T453-V455 WeakPolarHBondContact OG1-CG2 3.23Å; V455-P457 VanDerWaalsContact O-CD 3.29Å; V455-P457 WeakPolarHBondContact O-CD 3.39Å | ||
| 456 | R | 90.2 | Very high | 89.8 | Confident | 128 Ų | 128 | 83 Ų | 83 | 48% | 0.483 | 43% | 0.432 | S | S | . | . | trans | -116.9 | 81.4 | -176.8 | -70.5 | 162.6 | 86.4 | 128.6 | 3.2 | 110.6 | G454 Y458 R466 F467 T468 | G454-R456 WeakPolarHBondContact O-CG 3.35Å; G454-R456 PolarHBondContact O-N 3.06Å; R456-Y458 PolarHBondContact O-N 2.96Å; R456-R466 HydrophobicContact CB-CB 3.71Å; R456-R466 VanDerWaalsContact CZ-O 3.24Å; R456-R466 PolarHBondContact NE-O 3.11Å; R456-R466 PolarHBondContact NH2-O 3.32Å; R456-R466 PolarHBondContact O-NE 3.26Å; R456-F467 CarbonylContact C-O 3.53Å; R456-F467 VanDerWaalsContact C-O 3.31Å; R456-F467 WeakPolarHBondContact CA-O 3.26Å; R456-T468 HydrophobicContact CG-CG2 3.71Å | ||
| 457 | P | 90 | Very high | 89.8 | Confident | 56 Ų | 56 | 77.3 Ų | 77.3 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | trans | -76 | -21 | -170.8 | 29.8 | -34 | 0 | 0 | 0 | 113.6 | V455 A459 F467 | V455-P457 VanDerWaalsContact O-CD 3.29Å; V455-P457 WeakPolarHBondContact O-CD 3.39Å; P457-A459 PolarHBondContact O-N 2.68Å; P457-F467 WeakPolarHBondContact CD-O 3.18Å | ||
| 458 | Y | 91.2 | Very high | 89.8 | Confident | 81 Ų | 81 | 76.6 Ų | 76.6 | 32% | 0.318 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 96.8 | -176.3 | -52.9 | -74.2 | 0 | 0 | 0 | 110.6 | R456 R466 F467 R469 S470 | R456-Y458 PolarHBondContact O-N 2.96Å; Y458-R466 CarbonylContact O-C 3.45Å; Y458-R466 WeakPolarHBondContact O-CA 3.44Å; Y458-F467 WeakPolarHBondContact CD2-O 3.27Å; Y458-F467 PolarHBondContact N-O 3.28Å; Y458-F467 VanDerWaalsContact N-O 3.13Å; Y458-F467 PolarHBondContact O-N 2.82Å; Y458-R469 VanDerWaalsContact CD2-CA 3.5Å; Y458-R469 VanDerWaalsContact CE2-CA 3.5Å; Y458-S470 VanDerWaalsContact CD2-N 3.31Å; Y458-S470 VanDerWaalsContact CE2-N 3.35Å |
| 459 | A | 90.5 | Very high | 89.9 | Confident | 52 Ų | 52 | 79 Ų | 79 | 43% | 0.43 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 152.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | P457 R466 L473 | P457-A459 PolarHBondContact O-N 2.68Å; A459-R466 HydrophobicContact CB-CG 4.19Å; A459-L473 VanDerWaalsContact O-CD2 3.23Å; A459-L473 WeakPolarHBondContact O-CD2 3.37Å |
| 460 | C | 92.9 | Very high | 90 | Very high | 11 Ų | 11 | 78.6 Ų | 78.6 | 7% | 0.074 | 42% | 0.418 | C | S | . | . | trans | -92.1 | 138.1 | 168.9 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | C463 K465 L473 H476 | C460-C463 WeakPolarHBondContact CB-O 3.49Å; C460-K465 WeakPolarHBondContact CB-O 3.33Å; C460-K465 PolarHBondContact N-O 2.29Å; C460-L473 HydrophobicContact CB-CD1 3.65Å; C460-H476 VanDerWaalsContact SG-CD2 3.6Å | ||
| 461 | T | 90 | Very high | 89.9 | Confident | 120 Ų | 120 | 78.1 Ų | 78.1 | 74% | 0.736 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -67.9 | -35.4 | 177.3 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 462 | F | 87.9 | Confident | 90 | Very high | 124 Ų | 124 | 77.7 Ų | 77.7 | 54% | 0.544 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -87.3 | -10.5 | -174.3 | -57 | -74.8 | 0 | 0 | 0 | 114.7 | H480 T481 | F462-H480 HydrophobicContact CB-CB 3.97Å; F462-H480 HydrophobicContact CD2-CB 3.82Å; F462-H480 AromaticContact CD2-CD2 3.99Å; F462-H480 HydrophobicContact CE2-CB 4.47Å; F462-H480 HydrophobicContact CG-CB 3.88Å; F462-H480 AromaticContact CG-CG 3.98Å; F462-T481 HydrophobicContact CE2-CG2 4.48Å |
| 463 | C | 91 | Very high | 90.2 | Very high | 27 Ų | 27 | 74.5 Ų | 74.5 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -165.7 | 159.5 | 177.5 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | C460 K465 H476 H480 | C460-C463 WeakPolarHBondContact CB-O 3.49Å; C463-K465 PolarHBondContact O-N 2.71Å; C463-H476 PolarHBondContact SG-NE2 2.77Å; C463-H480 PolarHBondContact SG-NE2 3.37Å; C463-H480 VanDerWaalsContact SG-NE2 3.38Å |
| 464 | P | 89.9 | Confident | 90.2 | Very high | 131 Ų | 131 | 76.9 Ų | 76.9 | 85% | 0.851 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -66.8 | 9.5 | -175.1 | 26.3 | -36.4 | 0 | 0 | 0 | 116.1 | R466 | P464-R466 PolarHBondContact O-N 3.21Š|
| 465 | K | 89.7 | Confident | 90.3 | Very high | 128 Ų | 128 | 76.8 Ų | 76.8 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | trans | -76.4 | 107.9 | -178.3 | -66.8 | 175.6 | -177.8 | 169.5 | 0 | 110.7 | C460 C463 F467 | C460-K465 WeakPolarHBondContact CB-O 3.33Å; C460-K465 PolarHBondContact N-O 2.29Å; C463-K465 PolarHBondContact O-N 2.71Å; K465-F467 HydrophobicContact CB-CE2 3.98Å; K465-F467 HydrophobicContact CB-CZ 4.12Å; K465-F467 WeakPolarHBondContact O-CD2 3.46Å; K465-F467 WeakPolarHBondContact O-CE2 3.49Å | ||
| 466 | R | 91.4 | Very high | 90.4 | Very high | 139 Ų | 139 | 74.1 Ų | 74.1 | 53% | 0.525 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 154.7 | 172.3 | -52.2 | -179.9 | 76.1 | 129.7 | 3.5 | 111.9 | R456 Y458 A459 P464 | R456-R466 HydrophobicContact CB-CB 3.71Å; R456-R466 VanDerWaalsContact CZ-O 3.24Å; R456-R466 PolarHBondContact NE-O 3.11Å; R456-R466 PolarHBondContact NH2-O 3.32Å; R456-R466 PolarHBondContact O-NE 3.26Å; Y458-R466 CarbonylContact O-C 3.45Å; Y458-R466 WeakPolarHBondContact O-CA 3.44Å; A459-R466 HydrophobicContact CB-CG 4.19Å; P464-R466 PolarHBondContact O-N 3.21Å |
| 467 | F | 89.8 | Confident | 90.4 | Very high | 36 Ų | 36 | 70.4 Ų | 70.4 | 16% | 0.158 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 151 | -177.6 | -63.2 | -88.9 | 0 | 0 | 0 | 112.8 | R456 P457 Y458 K465 R469 K472 L473 H476 | R456-F467 CarbonylContact C-O 3.53Å; R456-F467 VanDerWaalsContact C-O 3.31Å; R456-F467 WeakPolarHBondContact CA-O 3.26Å; P457-F467 WeakPolarHBondContact CD-O 3.18Å; Y458-F467 WeakPolarHBondContact CD2-O 3.27Å; Y458-F467 PolarHBondContact N-O 3.28Å; Y458-F467 VanDerWaalsContact N-O 3.13Å; Y458-F467 PolarHBondContact O-N 2.82Å; K465-F467 HydrophobicContact CB-CE2 3.98Å; K465-F467 HydrophobicContact CB-CZ 4.12Å; K465-F467 WeakPolarHBondContact O-CD2 3.46Å; K465-F467 WeakPolarHBondContact O-CE2 3.49Å; F467-R469 VanDerWaalsContact C-N 3.33Å; F467-K472 HydrophobicContact CB-CB 4.41Å; F467-K472 HydrophobicContact CD1-CB 3.93Å; F467-K472 HydrophobicContact CG-CB 4.41Å; F467-L473 HydrophobicContact CB-CB 4.47Å; F467-L473 HydrophobicContact CD2-CB 4.12Å; F467-L473 HydrophobicContact CD2-CD1 4.07Å; F467-L473 HydrophobicContact CE2-CD1 4.3Å; F467-L473 HydrophobicContact CG-CB 4.46Å; F467-H476 HydrophobicContact CE1-CB 4.18Å; F467-H476 HydrophobicContact CE2-CB 3.9Å; F467-H476 AromaticContact CE2-CD2 3.33Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.38Å; F467-H476 AromaticContact CE2-CG 3.71Å; F467-H476 HydrophobicContact CZ-CB 3.53Å; F467-H476 AromaticContact CZ-CD2 3.45Å; F467-H476 VanDerWaalsContact CZ-CD2 3.45Å; F467-H476 WeakPolarHBondContact CZ-CD2 3.39Å; F467-H476 AromaticContact CZ-CG 3.37Å |
| 468 | T | 90.4 | Very high | 90.4 | Very high | 32 Ų | 32 | 71.3 Ų | 71.3 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -75.6 | -19.4 | 177.6 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | R450 R456 | R450-T468 HydrophobicContact CB-CG2 4.26Å; R450-T468 PolarHBondContact NH1-O 3.48Å; R456-T468 HydrophobicContact CG-CG2 3.71Å |
| 469 | R | 91.3 | Very high | 90.2 | Very high | 81 Ų | 81 | 72.8 Ų | 72.8 | 31% | 0.306 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -141.5 | 141.8 | -174.9 | -61.3 | 160.4 | 53.5 | 151.5 | -7.9 | 111.7 | I447 Y458 F467 D471 K472 L473 | I447-R469 HydrophobicContact CG2-CG 3.75Å; Y458-R469 VanDerWaalsContact CD2-CA 3.5Å; Y458-R469 VanDerWaalsContact CE2-CA 3.5Å; F467-R469 VanDerWaalsContact C-N 3.33Å; R469-D471 WeakPolarHBondContact CB-OD1 3.48Å; R469-D471 IonicContact CZ-OD1 3.96Å; R469-D471 IonicContact CZ-OD2 3.03Å; R469-D471 IonicContact NE-OD1 3.71Å; R469-D471 PolarHBondContact NE-OD1 2.96Å; R469-D471 IonicContact NE-OD2 2.68Å; R469-D471 VanDerWaalsContact NH2-CG 3.25Å; R469-D471 IonicContact NH2-OD1 2.8Å; R469-D471 PolarHBondContact NH2-OD1 3.34Å; R469-D471 IonicContact NH2-OD2 2.64Å; R469-D471 PolarHBondContact NH2-OD2 3.41Å; R469-D471 PolarHBondContact O-N 3.01Å; R469-K472 HydrophobicContact CB-CG 4.17Å; R469-K472 PolarHBondContact O-N 3.24Å; R469-L473 PolarHBondContact O-N 2.77Å |
| 470 | S | 91.2 | Very high | 90.1 | Very high | 58 Ų | 58 | 73.5 Ų | 73.5 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.5 | -28.2 | -179.6 | 52 | 0 | 0 | 0 | 0 | 114.2 | Y458 K472 L473 K474 | Y458-S470 VanDerWaalsContact CD2-N 3.31Å; Y458-S470 VanDerWaalsContact CE2-N 3.35Å; S470-K472 PolarHBondContact O-N 2.89Å; S470-L473 PolarHBondContact O-N 3.44Å; S470-K474 PolarHBondContact O-N 3.08Å |
| 471 | D | 88.5 | Confident | 89.8 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.5 | -30 | 172.9 | 70.5 | -68.3 | 0 | 0 | 0 | 112.2 | R469 I475 | R469-D471 WeakPolarHBondContact CB-OD1 3.48Å; R469-D471 IonicContact CZ-OD1 3.96Å; R469-D471 IonicContact CZ-OD2 3.03Å; R469-D471 IonicContact NE-OD1 3.71Å; R469-D471 PolarHBondContact NE-OD1 2.96Å; R469-D471 IonicContact NE-OD2 2.68Å; R469-D471 VanDerWaalsContact NH2-CG 3.25Å; R469-D471 IonicContact NH2-OD1 2.8Å; R469-D471 PolarHBondContact NH2-OD1 3.34Å; R469-D471 IonicContact NH2-OD2 2.64Å; R469-D471 PolarHBondContact NH2-OD2 3.41Å; R469-D471 PolarHBondContact O-N 3.01Å; D471-I475 WeakPolarHBondContact O-CB 3.44Å; D471-I475 WeakPolarHBondContact O-CD1 3.39Å; D471-I475 VanDerWaalsContact O-CG1 3.23Å; D471-I475 WeakPolarHBondContact O-CG1 3.43Å; D471-I475 PolarHBondContact O-N 2.79Å; D471-I475 VanDerWaalsContact O-N 3.14Å |
| 472 | K | 90.6 | Very high | 89.5 | Confident | 77 Ų | 77 | 75.1 Ų | 75.1 | 34% | 0.335 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -77.6 | -35.2 | 176.8 | -56.6 | -51 | -178.5 | -143.3 | 0 | 111.7 | F467 R469 S470 H476 | F467-K472 HydrophobicContact CB-CB 4.41Å; F467-K472 HydrophobicContact CD1-CB 3.93Å; F467-K472 HydrophobicContact CG-CB 4.41Å; R469-K472 HydrophobicContact CB-CG 4.17Å; R469-K472 PolarHBondContact O-N 3.24Å; S470-K472 PolarHBondContact O-N 2.89Å; K472-H476 WeakPolarHBondContact O-CB 3.27Å; K472-H476 PolarHBondContact O-N 2.88Å |
| 473 | L | 92.6 | Very high | 89.3 | Confident | 18 Ų | 18 | 73 Ų | 73 | 9% | 0.094 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.3 | -53.3 | 168.3 | 173 | 60 | 0 | 0 | 0 | 111.1 | A459 C460 F467 R469 S470 I475 H476 E477 | A459-L473 VanDerWaalsContact O-CD2 3.23Å; A459-L473 WeakPolarHBondContact O-CD2 3.37Å; C460-L473 HydrophobicContact CB-CD1 3.65Å; F467-L473 HydrophobicContact CB-CB 4.47Å; F467-L473 HydrophobicContact CD2-CB 4.12Å; F467-L473 HydrophobicContact CD2-CD1 4.07Å; F467-L473 HydrophobicContact CE2-CD1 4.3Å; F467-L473 HydrophobicContact CG-CB 4.46Å; R469-L473 PolarHBondContact O-N 2.77Å; S470-L473 PolarHBondContact O-N 3.44Å; L473-I475 PolarHBondContact O-N 3.19Å; L473-H476 CarbonylContact O-C 3.51Å; L473-H476 WeakPolarHBondContact O-CA 3.36Å; L473-H476 WeakPolarHBondContact O-CB 3.49Å; L473-H476 PolarHBondContact O-N 2.82Å; L473-E477 HydrophobicContact CD1-CG 3.85Å; L473-E477 WeakPolarHBondContact CD1-OE1 3.36Å; L473-E477 HydrophobicContact CG-CG 4.24Å; L473-E477 VanDerWaalsContact CG-OE1 3.26Å; L473-E477 WeakPolarHBondContact CG-OE1 3.42Å; L473-E477 WeakPolarHBondContact O-CG 3.36Å; L473-E477 PolarHBondContact O-N 3.2Å |
| 474 | K | 90 | Very high | 89.1 | Confident | 140 Ų | 140 | 75.8 Ų | 75.8 | 61% | 0.609 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.4 | -28.6 | 179.8 | -69.4 | -166.5 | 175.3 | -163.7 | 0 | 114.6 | S470 E477 R478 | S470-K474 PolarHBondContact O-N 3.08Å; K474-E477 WeakPolarHBondContact CA-OE2 3.39Å; K474-R478 WeakPolarHBondContact O-CG 3.48Å |
| 475 | I | 88.9 | Confident | 89 | Confident | 44 Ų | 44 | 72.8 Ų | 72.8 | 23% | 0.226 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.2 | -29.5 | 172.2 | -74.6 | 169.3 | 0 | 0 | 0 | 111.8 | D471 L473 R497 | D471-I475 WeakPolarHBondContact O-CB 3.44Å; D471-I475 WeakPolarHBondContact O-CD1 3.39Å; D471-I475 VanDerWaalsContact O-CG1 3.23Å; D471-I475 WeakPolarHBondContact O-CG1 3.43Å; D471-I475 PolarHBondContact O-N 2.79Å; D471-I475 VanDerWaalsContact O-N 3.14Å; L473-I475 PolarHBondContact O-N 3.19Å; I475-R497 HydrophobicContact CG2-CG 3.77Å |
| 476 | H | 90.4 | Very high | 88.9 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 8% | 0.083 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -79.2 | -38.5 | 176.2 | 173.4 | 56.6 | 0 | 0 | 0 | 112.9 | C460 C463 F467 K472 L473 R478 I479 H480 | C460-H476 VanDerWaalsContact SG-CD2 3.6Å; C463-H476 PolarHBondContact SG-NE2 2.77Å; F467-H476 HydrophobicContact CE1-CB 4.18Å; F467-H476 HydrophobicContact CE2-CB 3.9Å; F467-H476 AromaticContact CE2-CD2 3.33Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.38Å; F467-H476 AromaticContact CE2-CG 3.71Å; F467-H476 HydrophobicContact CZ-CB 3.53Å; F467-H476 AromaticContact CZ-CD2 3.45Å; F467-H476 VanDerWaalsContact CZ-CD2 3.45Å; F467-H476 WeakPolarHBondContact CZ-CD2 3.39Å; F467-H476 AromaticContact CZ-CG 3.37Å; K472-H476 WeakPolarHBondContact O-CB 3.27Å; K472-H476 PolarHBondContact O-N 2.88Å; L473-H476 CarbonylContact O-C 3.51Å; L473-H476 WeakPolarHBondContact O-CA 3.36Å; L473-H476 WeakPolarHBondContact O-CB 3.49Å; L473-H476 PolarHBondContact O-N 2.82Å; H476-R478 PolarHBondContact O-N 3.39Å; H476-I479 WeakPolarHBondContact O-CB 3.42Å; H476-I479 WeakPolarHBondContact O-CG1 3.45Å; H476-I479 PolarHBondContact O-N 3.4Å; H476-H480 AromaticContact CD2-NE2 3.88Å; H476-H480 AromaticContact CE1-NE2 3.3Å; H476-H480 PolarHBondContact CE1-NE2 3.15Å; H476-H480 VanDerWaalsContact CE1-NE2 3.3Å; H476-H480 AromaticContact NE2-CD2 3.78Å; H476-H480 AromaticContact NE2-NE2 3.02Å; H476-H480 PolarHBondContact NE2-NE2 3.17Å |
| 477 | E | 90.4 | Very high | 88.9 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.7 | -35.2 | 176.4 | -71.7 | 163.7 | 164.5 | 0 | 0 | 112.1 | L473 K474 I479 H480 T481 | L473-E477 HydrophobicContact CD1-CG 3.85Å; L473-E477 WeakPolarHBondContact CD1-OE1 3.36Å; L473-E477 HydrophobicContact CG-CG 4.24Å; L473-E477 VanDerWaalsContact CG-OE1 3.26Å; L473-E477 WeakPolarHBondContact CG-OE1 3.42Å; L473-E477 WeakPolarHBondContact O-CG 3.36Å; L473-E477 PolarHBondContact O-N 3.2Å; K474-E477 WeakPolarHBondContact CA-OE2 3.39Å; E477-I479 PolarHBondContact O-N 2.89Å; E477-I479 VanDerWaalsContact O-N 3.14Å; E477-H480 PolarHBondContact O-N 2.92Å; E477-T481 PolarHBondContact O-N 2.76Å; E477-T481 PolarHBondContact O-OG1 3.09Å |
| 478 | R | 89.3 | Confident | 88.9 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.2 | -17.3 | 172.8 | -68.3 | 174.3 | -175 | -165.3 | -4.3 | 114.8 | K474 H476 K482 V483 Y486 A496 | K474-R478 WeakPolarHBondContact O-CG 3.48Å; H476-R478 PolarHBondContact O-N 3.39Å; R478-K482 CarbonylContact O-C 3.48Å; R478-K482 WeakPolarHBondContact O-CA 3.47Å; R478-K482 PolarHBondContact O-N 3.31Å; R478-V483 PolarHBondContact O-N 3.1Å; R478-Y486 VanDerWaalsContact NH1-CE2 3.27Å; R478-Y486 PolarHBondContact NH1-OH 2.75Å; R478-A496 HydrophobicContact CB-CB 4.39Å; R478-A496 WeakPolarHBondContact CD-O 3.49Å; R478-A496 PolarHBondContact NH1-O 3.36Å |
| 479 | I | 88 | Confident | 88.8 | Confident | 113 Ų | 113 | 70.2 Ų | 70.2 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -77 | -39.4 | 174.2 | -53.6 | 178.9 | 0 | 0 | 0 | 109.6 | H476 E477 | H476-I479 WeakPolarHBondContact O-CB 3.42Å; H476-I479 WeakPolarHBondContact O-CG1 3.45Å; H476-I479 PolarHBondContact O-N 3.4Å; E477-I479 PolarHBondContact O-N 2.89Å; E477-I479 VanDerWaalsContact O-N 3.14Å |
| 480 | H | 87.4 | Confident | 88.6 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 31% | 0.306 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.5 | -47.1 | 177.3 | -62 | -67.7 | 0 | 0 | 0 | 111.8 | F462 C463 H476 E477 K482 | F462-H480 HydrophobicContact CB-CB 3.97Å; F462-H480 HydrophobicContact CD2-CB 3.82Å; F462-H480 AromaticContact CD2-CD2 3.99Å; F462-H480 HydrophobicContact CE2-CB 4.47Å; F462-H480 HydrophobicContact CG-CB 3.88Å; F462-H480 AromaticContact CG-CG 3.98Å; C463-H480 PolarHBondContact SG-NE2 3.37Å; C463-H480 VanDerWaalsContact SG-NE2 3.38Å; H476-H480 AromaticContact CD2-NE2 3.88Å; H476-H480 AromaticContact CE1-NE2 3.3Å; H476-H480 PolarHBondContact CE1-NE2 3.15Å; H476-H480 VanDerWaalsContact CE1-NE2 3.3Å; H476-H480 AromaticContact NE2-CD2 3.78Å; H476-H480 AromaticContact NE2-NE2 3.02Å; H476-H480 PolarHBondContact NE2-NE2 3.17Å; E477-H480 PolarHBondContact O-N 2.92Å; H480-K482 PolarHBondContact O-N 3.13Å |
| 481 | T | 86.7 | Confident | 88.6 | Confident | 73 Ų | 73 | 71.8 Ų | 71.8 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -73.7 | -4.8 | 176.6 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | F462 E477 V483 | F462-T481 HydrophobicContact CE2-CG2 4.48Å; E477-T481 PolarHBondContact O-N 2.76Å; E477-T481 PolarHBondContact O-OG1 3.09Å; T481-V483 WeakPolarHBondContact O-CG2 3.42Å; T481-V483 PolarHBondContact O-N 3.02Å; T481-V483 WeakPolarHBondContact OG1-CG2 3.35Å |
| 482 | K | 83.2 | Confident | 88.5 | Confident | 93 Ų | 93 | 71 Ų | 71 | 40% | 0.404 | 37% | 0.366 | S | S | . | . | trans | 57.3 | 6 | -176.1 | -57.9 | 171.8 | -177.4 | 176.5 | 0 | 114.9 | R478 H480 K484 C735 S736 | R478-K482 CarbonylContact O-C 3.48Å; R478-K482 WeakPolarHBondContact O-CA 3.47Å; R478-K482 PolarHBondContact O-N 3.31Å; H480-K482 PolarHBondContact O-N 3.13Å; K482-K484 PolarHBondContact O-N 3.48Å; K482-C735 HydrophobicContact CD-CB 3.84Å; K482-C735 HydrophobicContact CG-CB 4.48Å; K482-S736 PolarHBondContact NZ-OG 3.24Å | ||
| 483 | V | 84.7 | Confident | 88.4 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 47% | 0.473 | 38% | 0.375 | S | S | . | . | trans | -68.9 | 122.6 | -174.5 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | R478 T481 P485 | R478-V483 PolarHBondContact O-N 3.1Å; T481-V483 WeakPolarHBondContact O-CG2 3.42Å; T481-V483 PolarHBondContact O-N 3.02Å; T481-V483 WeakPolarHBondContact OG1-CG2 3.35Å; V483-P485 HydrophobicContact CG1-CB 4.46Å; V483-P485 WeakPolarHBondContact O-CD 3.33Å | ||
| 484 | K | 86.9 | Confident | 88.3 | Confident | 86 Ų | 86 | 75 Ų | 75 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | trans | -118.3 | 75.3 | -176.5 | -71.7 | 166 | 170.6 | -175.8 | 0 | 111.5 | K482 Y486 C494 F495 N734 | K482-K484 PolarHBondContact O-N 3.48Å; K484-Y486 VanDerWaalsContact C-N 3.25Å; K484-Y486 PolarHBondContact O-N 3.19Å; K484-Y486 VanDerWaalsContact O-N 3.13Å; K484-C494 HydrophobicContact CB-CB 3.76Å; K484-F495 CarbonylContact C-O 3.47Å; K484-F495 WeakPolarHBondContact CA-O 3.42Å; K484-N734 PolarHBondContact NZ-OD1 3.08Å | ||
| 485 | P | 88 | Confident | 88.2 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | trans | -84.2 | 15.7 | -165.1 | 36.9 | -36.9 | 0 | 0 | 0 | 114.7 | V483 F495 | V483-P485 HydrophobicContact CG1-CB 4.46Å; V483-P485 WeakPolarHBondContact O-CD 3.33Å; P485-F495 WeakPolarHBondContact CD-O 3.35Å | ||
| 486 | Y | 88.4 | Confident | 88.1 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 26% | 0.255 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 89.1 | 179.2 | -52.6 | -72.3 | 0 | 0 | 0 | 110.6 | R478 K484 F495 R497 S498 | R478-Y486 VanDerWaalsContact NH1-CE2 3.27Å; R478-Y486 PolarHBondContact NH1-OH 2.75Å; K484-Y486 VanDerWaalsContact C-N 3.25Å; K484-Y486 PolarHBondContact O-N 3.19Å; K484-Y486 VanDerWaalsContact O-N 3.13Å; Y486-F495 WeakPolarHBondContact CD2-O 3.49Å; Y486-F495 PolarHBondContact N-O 3.15Å; Y486-F495 VanDerWaalsContact N-O 3.12Å; Y486-F495 PolarHBondContact O-N 3.18Å; Y486-R497 VanDerWaalsContact CD2-CA 3.48Å; Y486-S498 VanDerWaalsContact CE2-N 3.3Å |
| 487 | E | 89.4 | Confident | 88.1 | Confident | 120 Ų | 120 | 73.1 Ų | 73.1 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.6 | 172.9 | -173.8 | -179.7 | 168.9 | 0 | 0 | 112 | G492 R501 | E487-G492 WeakPolarHBondContact OE1-CA 3.46Å; E487-R501 VanDerWaalsContact C-CD 3.47Å; E487-R501 WeakPolarHBondContact O-CD 3.39Å |
| 488 | C | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 115.2 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | H490 C491 G492 K493 F495 R501 | C488-H490 PolarHBondContact O-N 3.45Å; C488-C491 PolarHBondContact O-N 3.27Å; C488-G492 PolarHBondContact O-N 3.02Å; C488-K493 WeakPolarHBondContact CB-O 3.47Å; C488-K493 PolarHBondContact N-O 3.07Å; C488-F495 HydrophobicContact CB-CE2 4.19Å; C488-R501 HydrophobicContact CB-CG 3.98Å |
| 489 | S | 88.4 | Confident | 88.1 | Confident | 96 Ų | 96 | 71.9 Ų | 71.9 | 67% | 0.671 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -31.9 | -178.2 | 49.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 490 | H | 86.6 | Confident | 88.2 | Confident | 122 Ų | 122 | 70 Ų | 70 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -9.7 | -176.2 | -61.4 | -70.9 | 0 | 0 | 0 | 114.7 | C488 H508 | C488-H490 PolarHBondContact O-N 3.45Å; H490-H508 HydrophobicContact CB-CB 4.24Å |
| 491 | C | 90.2 | Very high | 88.5 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 35% | 0.345 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -163.7 | 16.3 | -174.5 | 68.1 | 0 | 0 | 0 | 0 | 116.8 | C488 K493 H504 H508 | C488-C491 PolarHBondContact O-N 3.27Å; C491-K493 PolarHBondContact O-N 3.43Å; C491-H504 PolarHBondContact SG-NE2 3.42Å; C491-H508 VanDerWaalsContact SG-CE1 3.52Å; C491-H508 PolarHBondContact SG-NE2 2.96Å |
| 492 | G | 87.3 | Confident | 88.7 | Confident | 38 Ų | 38 | 72 Ų | 72 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 5.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | E487 C488 C494 | E487-G492 WeakPolarHBondContact OE1-CA 3.46Å; C488-G492 PolarHBondContact O-N 3.02Å; G492-C494 PolarHBondContact O-N 3.18Å |
| 493 | K | 88.5 | Confident | 89 | Confident | 122 Ų | 122 | 70.8 Ų | 70.8 | 53% | 0.53 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 116.8 | -176.3 | -75.1 | 176.5 | -178.1 | 167.8 | 0 | 111.2 | C488 C491 F495 | C488-K493 WeakPolarHBondContact CB-O 3.47Å; C488-K493 PolarHBondContact N-O 3.07Å; C491-K493 PolarHBondContact O-N 3.43Å; K493-F495 HydrophobicContact CB-CE2 3.8Å; K493-F495 HydrophobicContact CB-CZ 4.17Å; K493-F495 WeakPolarHBondContact O-CD2 3.39Å; K493-F495 WeakPolarHBondContact O-CE2 3.12Å |
| 494 | C | 89.3 | Confident | 89.3 | Confident | 56 Ų | 56 | 68.6 Ų | 68.6 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 133.1 | -178.6 | -64.7 | 0 | 0 | 0 | 0 | 113.2 | K484 G492 | K484-C494 HydrophobicContact CB-CB 3.76Å; G492-C494 PolarHBondContact O-N 3.18Å |
| 495 | F | 88.3 | Confident | 89.4 | Confident | 50 Ų | 50 | 66 Ų | 66 | 22% | 0.219 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 146.5 | -179.2 | -62.5 | -94.1 | 0 | 0 | 0 | 112.2 | K484 P485 Y486 C488 K493 R497 K500 R501 H504 | K484-F495 CarbonylContact C-O 3.47Å; K484-F495 WeakPolarHBondContact CA-O 3.42Å; P485-F495 WeakPolarHBondContact CD-O 3.35Å; Y486-F495 WeakPolarHBondContact CD2-O 3.49Å; Y486-F495 PolarHBondContact N-O 3.15Å; Y486-F495 VanDerWaalsContact N-O 3.12Å; Y486-F495 PolarHBondContact O-N 3.18Å; C488-F495 HydrophobicContact CB-CE2 4.19Å; K493-F495 HydrophobicContact CB-CE2 3.8Å; K493-F495 HydrophobicContact CB-CZ 4.17Å; K493-F495 WeakPolarHBondContact O-CD2 3.39Å; K493-F495 WeakPolarHBondContact O-CE2 3.12Å; F495-R497 PolarHBondContact O-N 2.87Å; F495-K500 HydrophobicContact CB-CB 4.39Å; F495-K500 HydrophobicContact CD1-CB 3.84Å; F495-K500 HydrophobicContact CG-CB 4.39Å; F495-R501 HydrophobicContact CB-CB 4.19Å; F495-R501 HydrophobicContact CD2-CB 3.8Å; F495-R501 HydrophobicContact CD2-CG 3.95Å; F495-R501 HydrophobicContact CE2-CG 4.47Å; F495-R501 HydrophobicContact CG-CB 4.16Å; F495-H504 HydrophobicContact CE1-CB 4.26Å; F495-H504 HydrophobicContact CE2-CB 4.06Å; F495-H504 AromaticContact CE2-CD2 3.48Å; F495-H504 VanDerWaalsContact CE2-CD2 3.48Å; F495-H504 WeakPolarHBondContact CE2-CD2 3.45Å; F495-H504 HydrophobicContact CZ-CB 3.61Å; F495-H504 AromaticContact CZ-CD2 3.4Å; F495-H504 WeakPolarHBondContact CZ-CD2 3.15Å; F495-H504 AromaticContact CZ-CG 3.58Å |
| 496 | A | 88.3 | Confident | 89.5 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -69.6 | -16.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R478 | R478-A496 HydrophobicContact CB-CB 4.39Å; R478-A496 WeakPolarHBondContact CD-O 3.49Å; R478-A496 PolarHBondContact NH1-O 3.36Å |
| 497 | R | 89.7 | Confident | 89.4 | Confident | 85 Ų | 85 | 68.4 Ų | 68.4 | 32% | 0.321 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -139.8 | 138.3 | -174.8 | -62.4 | 167.7 | 54.9 | 154.3 | -10 | 112.1 | I475 Y486 F495 D499 K500 R501 | I475-R497 HydrophobicContact CG2-CG 3.77Å; Y486-R497 VanDerWaalsContact CD2-CA 3.48Å; F495-R497 PolarHBondContact O-N 2.87Å; R497-D499 VanDerWaalsContact CB-OD1 3.28Å; R497-D499 WeakPolarHBondContact CB-OD1 3.48Å; R497-D499 IonicContact CZ-OD1 2.82Å; R497-D499 VanDerWaalsContact CZ-OD1 3.31Å; R497-D499 IonicContact CZ-OD2 3.32Å; R497-D499 IonicContact NE-OD1 3.41Å; R497-D499 PolarHBondContact NE-OD1 3.41Å; R497-D499 IonicContact NE-OD2 3.04Å; R497-D499 PolarHBondContact NE-OD2 2.83Å; R497-D499 IonicContact NH2-OD1 3.7Å; R497-D499 PolarHBondContact NH2-OD1 2.9Å; R497-D499 IonicContact NH2-OD2 3.63Å; R497-D499 PolarHBondContact NH2-OD2 3.04Å; R497-D499 PolarHBondContact O-N 2.87Å; R497-K500 HydrophobicContact CB-CB 4.45Å; R497-K500 HydrophobicContact CB-CG 4.18Å; R497-K500 PolarHBondContact O-N 2.93Å; R497-K500 VanDerWaalsContact O-N 3.14Å; R497-R501 PolarHBondContact O-N 3.49Å; R497-R501 VanDerWaalsContact O-N 3.13Å |
| 498 | S | 89.6 | Confident | 89.2 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 43% | 0.427 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.2 | -30.5 | -179.6 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | Y486 K500 R501 R502 | Y486-S498 VanDerWaalsContact CE2-N 3.3Å; S498-K500 VanDerWaalsContact C-N 3.3Å; S498-K500 PolarHBondContact O-N 3.36Å; S498-R501 PolarHBondContact O-N 3.26Å; S498-R502 WeakPolarHBondContact O-CB 3.45Å; S498-R502 PolarHBondContact O-N 2.9Å |
| 499 | D | 89.4 | Confident | 88.5 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 20% | 0.203 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.9 | -34.9 | 172.5 | 65.7 | -75.3 | 0 | 0 | 0 | 112.1 | R497 R502 L503 F580 | R497-D499 VanDerWaalsContact CB-OD1 3.28Å; R497-D499 WeakPolarHBondContact CB-OD1 3.48Å; R497-D499 IonicContact CZ-OD1 2.82Å; R497-D499 VanDerWaalsContact CZ-OD1 3.31Å; R497-D499 IonicContact CZ-OD2 3.32Å; R497-D499 IonicContact NE-OD1 3.41Å; R497-D499 PolarHBondContact NE-OD1 3.41Å; R497-D499 IonicContact NE-OD2 3.04Å; R497-D499 PolarHBondContact NE-OD2 2.83Å; R497-D499 IonicContact NH2-OD1 3.7Å; R497-D499 PolarHBondContact NH2-OD1 2.9Å; R497-D499 IonicContact NH2-OD2 3.63Å; R497-D499 PolarHBondContact NH2-OD2 3.04Å; R497-D499 PolarHBondContact O-N 2.87Å; D499-R502 PolarHBondContact O-N 3.13Å; D499-L503 WeakPolarHBondContact O-CB 3.47Å; D499-L503 PolarHBondContact O-N 2.96Å; D499-F580 HydrophobicContact CB-CE2 4.08Å; D499-F580 HydrophobicContact CB-CZ 3.87Å; D499-F580 WeakPolarHBondContact O-CZ 3.41Å |
| 500 | K | 90.4 | Very high | 87.8 | Confident | 75 Ų | 75 | 77.2 Ų | 77.2 | 33% | 0.326 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -74.4 | -38.8 | 177.4 | -60.8 | -55.7 | -178.7 | -178.8 | 0 | 111.8 | F495 R497 S498 H504 | F495-K500 HydrophobicContact CB-CB 4.39Å; F495-K500 HydrophobicContact CD1-CB 3.84Å; F495-K500 HydrophobicContact CG-CB 4.39Å; R497-K500 HydrophobicContact CB-CB 4.45Å; R497-K500 HydrophobicContact CB-CG 4.18Å; R497-K500 PolarHBondContact O-N 2.93Å; R497-K500 VanDerWaalsContact O-N 3.14Å; S498-K500 VanDerWaalsContact C-N 3.3Å; S498-K500 PolarHBondContact O-N 3.36Å; K500-H504 WeakPolarHBondContact O-CB 3.39Å; K500-H504 PolarHBondContact O-N 2.99Å; K500-H504 VanDerWaalsContact O-N 3.14Å |
| 501 | R | 93.2 | Very high | 86.6 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 168 | -168 | -161.2 | 64.6 | 172.2 | 27.9 | 111.3 | E487 C488 F495 R497 S498 L503 H504 E505 | E487-R501 VanDerWaalsContact C-CD 3.47Å; E487-R501 WeakPolarHBondContact O-CD 3.39Å; C488-R501 HydrophobicContact CB-CG 3.98Å; F495-R501 HydrophobicContact CB-CB 4.19Å; F495-R501 HydrophobicContact CD2-CB 3.8Å; F495-R501 HydrophobicContact CD2-CG 3.95Å; F495-R501 HydrophobicContact CE2-CG 4.47Å; F495-R501 HydrophobicContact CG-CB 4.16Å; R497-R501 PolarHBondContact O-N 3.49Å; R497-R501 VanDerWaalsContact O-N 3.13Å; S498-R501 PolarHBondContact O-N 3.26Å; R501-L503 PolarHBondContact O-N 3.21Å; R501-H504 CarbonylContact O-C 3.46Å; R501-H504 WeakPolarHBondContact O-CA 3.49Å; R501-H504 WeakPolarHBondContact O-CB 3.26Å; R501-H504 PolarHBondContact O-N 3.16Å; R501-E505 WeakPolarHBondContact CD-OE1 3.32Å; R501-E505 IonicContact CZ-OE1 3.31Å; R501-E505 IonicContact NE-OE1 2.77Å; R501-E505 PolarHBondContact NE-OE1 2.9Å; R501-E505 IonicContact NH2-OE1 2.99Å; R501-E505 PolarHBondContact NH2-OE1 3.49Å; R501-E505 IonicContact NH2-OE2 3.49Å; R501-E505 WeakPolarHBondContact O-CG 3.41Å; R501-E505 PolarHBondContact O-N 3.32Å |
| 502 | R | 90.7 | Very high | 85.2 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 38% | 0.381 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.6 | -30.5 | -176.8 | -174.5 | 165.6 | 177.2 | -140.6 | -3.3 | 114.7 | S498 D499 H504 E505 K506 | S498-R502 WeakPolarHBondContact O-CB 3.45Å; S498-R502 PolarHBondContact O-N 2.9Å; D499-R502 PolarHBondContact O-N 3.13Å; R502-H504 PolarHBondContact O-N 3.4Å; R502-E505 VanDerWaalsContact CA-OE2 3.27Å; R502-E505 WeakPolarHBondContact CA-OE2 3.39Å; R502-E505 WeakPolarHBondContact CB-OE2 3.45Å; R502-E505 WeakPolarHBondContact CG-OE2 3.44Å; R502-E505 PolarHBondContact O-N 3.15Å; R502-K506 PolarHBondContact O-N 2.88Å |
| 503 | L | 90.7 | Very high | 83.4 | Confident | 67 Ų | 67 | 83.2 Ų | 83.2 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.4 | -32.6 | 168.9 | -174.9 | 61.2 | 0 | 0 | 0 | 111.3 | D499 R501 T507 F580 I583 | D499-L503 WeakPolarHBondContact O-CB 3.47Å; D499-L503 PolarHBondContact O-N 2.96Å; R501-L503 PolarHBondContact O-N 3.21Å; L503-T507 PolarHBondContact O-N 3.25Å; L503-F580 HydrophobicContact CB-CE1 4.17Å; L503-F580 HydrophobicContact CB-CZ 4.14Å; L503-F580 HydrophobicContact CD1-CE1 4.31Å; L503-F580 HydrophobicContact CD2-CE1 4.34Å; L503-I583 HydrophobicContact CD2-CD1 4.28Å |
| 504 | H | 90.1 | Very high | 81.6 | Confident | 32 Ų | 32 | 83.2 Ų | 83.2 | 15% | 0.148 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -78 | -35.3 | 174.5 | 179.4 | 49.3 | 0 | 0 | 0 | 113.5 | C491 F495 K500 R501 R502 K506 T507 H508 | C491-H504 PolarHBondContact SG-NE2 3.42Å; F495-H504 HydrophobicContact CE1-CB 4.26Å; F495-H504 HydrophobicContact CE2-CB 4.06Å; F495-H504 AromaticContact CE2-CD2 3.48Å; F495-H504 VanDerWaalsContact CE2-CD2 3.48Å; F495-H504 WeakPolarHBondContact CE2-CD2 3.45Å; F495-H504 HydrophobicContact CZ-CB 3.61Å; F495-H504 AromaticContact CZ-CD2 3.4Å; F495-H504 WeakPolarHBondContact CZ-CD2 3.15Å; F495-H504 AromaticContact CZ-CG 3.58Å; K500-H504 WeakPolarHBondContact O-CB 3.39Å; K500-H504 PolarHBondContact O-N 2.99Å; K500-H504 VanDerWaalsContact O-N 3.14Å; R501-H504 CarbonylContact O-C 3.46Å; R501-H504 WeakPolarHBondContact O-CA 3.49Å; R501-H504 WeakPolarHBondContact O-CB 3.26Å; R501-H504 PolarHBondContact O-N 3.16Å; R502-H504 PolarHBondContact O-N 3.4Å; H504-K506 PolarHBondContact O-N 3.24Å; H504-T507 WeakPolarHBondContact CA-OG1 3.4Å; H504-T507 PolarHBondContact ND1-OG1 2.94Å; H504-T507 WeakPolarHBondContact O-CA 3.45Å; H504-T507 PolarHBondContact O-N 3Å; H504-T507 PolarHBondContact O-OG1 2.89Å; H504-H508 AromaticContact CD2-NE2 3.71Å; H504-H508 AromaticContact CE1-CE1 3.7Å; H504-H508 AromaticContact CE1-NE2 3.23Å; H504-H508 PolarHBondContact CE1-NE2 3.35Å; H504-H508 AromaticContact ND1-NE2 3.97Å; H504-H508 AromaticContact NE2-CE1 3.76Å; H504-H508 AromaticContact NE2-NE2 3.04Å; H504-H508 PolarHBondContact NE2-NE2 2.96Å; H504-H508 PolarHBondContact O-CD2 2.95Å; H504-H508 PolarHBondContact O-N 3.44Å |
| 505 | E | 89.8 | Confident | 79.6 | Confident | 32 Ų | 32 | 91.9 Ų | 91.9 | 15% | 0.15 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -52.6 | -44.4 | 168.3 | -71.1 | 161.3 | -175.5 | 0 | 0 | 110.7 | R501 R502 T507 H508 M509 | R501-E505 WeakPolarHBondContact CD-OE1 3.32Å; R501-E505 IonicContact CZ-OE1 3.31Å; R501-E505 IonicContact NE-OE1 2.77Å; R501-E505 PolarHBondContact NE-OE1 2.9Å; R501-E505 IonicContact NH2-OE1 2.99Å; R501-E505 PolarHBondContact NH2-OE1 3.49Å; R501-E505 IonicContact NH2-OE2 3.49Å; R501-E505 WeakPolarHBondContact O-CG 3.41Å; R501-E505 PolarHBondContact O-N 3.32Å; R502-E505 VanDerWaalsContact CA-OE2 3.27Å; R502-E505 WeakPolarHBondContact CA-OE2 3.39Å; R502-E505 WeakPolarHBondContact CB-OE2 3.45Å; R502-E505 WeakPolarHBondContact CG-OE2 3.44Å; R502-E505 PolarHBondContact O-N 3.15Å; E505-T507 VanDerWaalsContact C-N 3.26Å; E505-T507 PolarHBondContact O-N 3.41Å; E505-H508 WeakPolarHBondContact O-CB 3.31Å; E505-H508 PolarHBondContact O-N 3.32Å; E505-M509 PolarHBondContact O-N 3.02Å |
| 506 | K | 88.9 | Confident | 77.5 | Confident | 107 Ų | 107 | 93.5 Ų | 93.5 | 47% | 0.465 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -29.8 | 172.7 | -69.9 | -173.4 | 175.1 | -165.3 | 0 | 114 | R502 H504 H508 M509 Y510 | R502-K506 PolarHBondContact O-N 2.88Å; H504-K506 PolarHBondContact O-N 3.24Å; K506-H508 VanDerWaalsContact C-N 3.26Å; K506-H508 PolarHBondContact O-N 2.98Å; K506-M509 PolarHBondContact O-N 3.46Å; K506-Y510 WeakPolarHBondContact O-CD2 3.47Å; K506-Y510 PolarHBondContact O-N 3.4Å |
| 507 | T | 87.9 | Confident | 75.6 | Confident | 77 Ų | 77 | 99 Ų | 99 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.9 | -17 | 176.1 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | L503 H504 E505 | L503-T507 PolarHBondContact O-N 3.25Å; H504-T507 WeakPolarHBondContact CA-OG1 3.4Å; H504-T507 PolarHBondContact ND1-OG1 2.94Å; H504-T507 WeakPolarHBondContact O-CA 3.45Å; H504-T507 PolarHBondContact O-N 3Å; H504-T507 PolarHBondContact O-OG1 2.89Å; E505-T507 VanDerWaalsContact C-N 3.26Å; E505-T507 PolarHBondContact O-N 3.41Å |
| 508 | H | 84.5 | Confident | 73.4 | Confident | 66 Ų | 66 | 98 Ų | 98 | 31% | 0.306 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79 | -39.5 | 168.1 | -62.4 | -68 | 0 | 0 | 0 | 111.3 | H490 C491 H504 E505 K506 Y510 G511 | H490-H508 HydrophobicContact CB-CB 4.24Å; C491-H508 VanDerWaalsContact SG-CE1 3.52Å; C491-H508 PolarHBondContact SG-NE2 2.96Å; H504-H508 AromaticContact CD2-NE2 3.71Å; H504-H508 AromaticContact CE1-CE1 3.7Å; H504-H508 AromaticContact CE1-NE2 3.23Å; H504-H508 PolarHBondContact CE1-NE2 3.35Å; H504-H508 AromaticContact ND1-NE2 3.97Å; H504-H508 AromaticContact NE2-CE1 3.76Å; H504-H508 AromaticContact NE2-NE2 3.04Å; H504-H508 PolarHBondContact NE2-NE2 2.96Å; H504-H508 PolarHBondContact O-CD2 2.95Å; H504-H508 PolarHBondContact O-N 3.44Å; E505-H508 WeakPolarHBondContact O-CB 3.31Å; E505-H508 PolarHBondContact O-N 3.32Å; K506-H508 VanDerWaalsContact C-N 3.26Å; K506-H508 PolarHBondContact O-N 2.98Å; H508-Y510 VanDerWaalsContact C-N 3.26Å; H508-Y510 PolarHBondContact O-N 3.08Å; H508-G511 PolarHBondContact O-N 2.84Å; H508-G511 VanDerWaalsContact O-N 3.12Å |
| 509 | M | 77.9 | Confident | 70.9 | Confident | 152 Ų | 152 | 98.3 Ų | 98.3 | 75% | 0.749 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.3 | -22.3 | -179.6 | -60.2 | -160.4 | 80.1 | 0 | 0 | 115.2 | E505 K506 | E505-M509 PolarHBondContact O-N 3.02Å; K506-M509 PolarHBondContact O-N 3.46Å |
| 510 | Y | 72 | Confident | 68.8 | Low | 182 Ų | 182 | 106 Ų | 106 | 71% | 0.714 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 14.1 | 176 | -60.2 | -65.2 | 0 | 0 | 0 | 113.2 | K506 H508 | K506-Y510 WeakPolarHBondContact O-CD2 3.47Å; K506-Y510 PolarHBondContact O-N 3.4Å; H508-Y510 VanDerWaalsContact C-N 3.26Å; H508-Y510 PolarHBondContact O-N 3.08Å |
| 511 | G | 62 | Low | 66.4 | Low | 31 Ų | 31 | 112.1 Ų | 112.1 | 32% | 0.32 | 59% | 0.587 | S | S | . | * | trans | 65.6 | 175.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | H508 K513 | H508-G511 PolarHBondContact O-N 2.84Å; H508-G511 VanDerWaalsContact O-N 3.12Å; G511-K513 PolarHBondContact O-N 3.36Å | ||
| 512 | P | 59.8 | Low | 64.1 | Low | 130 Ų | 130 | 112.4 Ų | 112.4 | 84% | 0.844 | 60% | 0.602 | S | S | * | * | trans | -66.7 | 101.4 | 168.3 | 29.3 | -32.6 | 0 | 0 | 0 | 108.7 | ||||
| 513 | K | 51.5 | Low | 61.9 | Low | 177 Ų | 177 | 117 Ų | 117 | 77% | 0.77 | 62% | 0.624 | S | S | * | * | trans | -48.6 | 131.3 | 168.9 | -76.8 | -169 | 172.4 | -168.7 | 0 | 108.8 | G511 R515 | G511-K513 PolarHBondContact O-N 3.36Å; K513-R515 PolarHBondContact O-N 3.01Å | ||
| 514 | P | 49 | Very low | 59.6 | Low | 121 Ų | 121 | 118.2 Ų | 118.2 | 79% | 0.786 | 64% | 0.635 | S | S | * | * | trans | -53.9 | 130 | 178.5 | 22.2 | -32.8 | 0 | 0 | 0 | 108.5 | A516 | P514-A516 PolarHBondContact O-N 3.46Š| ||
| 515 | R | 48.5 | Very low | 57.4 | Low | 238 Ų | 238 | 123.6 Ų | 123.6 | 90% | 0.898 | 67% | 0.67 | S | S | * | * | trans | -76.1 | 70.1 | -177.2 | -169.2 | -171 | -68 | -149.8 | 4.3 | 109.2 | K513 T517 | K513-R515 PolarHBondContact O-N 3.01Å; R515-T517 PolarHBondContact O-N 3.44Å; R515-T517 VanDerWaalsContact O-N 3.12Å | ||
| 516 | A | 44.7 | Very low | 55.1 | Low | 84 Ų | 84 | 126.2 Ų | 126.2 | 69% | 0.694 | 69% | 0.692 | S | S | * | * | trans | -51.8 | 121.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | P514 G518 | P514-A516 PolarHBondContact O-N 3.46Å; A516-G518 PolarHBondContact O-N 3.32Å | ||
| 517 | T | 47.8 | Very low | 53 | Low | 144 Ų | 144 | 124.2 Ų | 124.2 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | trans | -71.9 | 32.1 | 172.8 | 41.3 | 0 | 0 | 0 | 0 | 111.7 | R515 G519 | R515-T517 PolarHBondContact O-N 3.44Å; R515-T517 VanDerWaalsContact O-N 3.12Å; T517-G519 PolarHBondContact O-N 3.08Å | ||
| 518 | G | 42.4 | Very low | 50.9 | Low | 65 Ų | 65 | 125 Ų | 125 | 67% | 0.67 | 71% | 0.709 | S | S | * | * | trans | -65.2 | 98.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A516 K520 | A516-G518 PolarHBondContact O-N 3.32Å; G518-K520 PolarHBondContact O-N 3.37Å | ||
| 519 | G | 38.2 | Very low | 49.3 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | trans | -51.8 | 123.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T517 K521 | T517-G519 PolarHBondContact O-N 3.08Å; G519-K521 PolarHBondContact O-N 2.84Å | ||
| 520 | K | 45.8 | Very low | 47.6 | Very low | 199 Ų | 199 | 123.1 Ų | 123.1 | 87% | 0.865 | 72% | 0.718 | S | S | * | * | trans | -61.4 | 105.4 | 165.8 | -73.9 | 178.2 | -178.3 | 170.4 | 0 | 107.1 | G518 S522 | G518-K520 PolarHBondContact O-N 3.37Å; K520-S522 PolarHBondContact O-N 3.28Å | ||
| 521 | K | 40.3 | Very low | 46.2 | Very low | 204 Ų | 204 | 118.5 Ų | 118.5 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | trans | -62.9 | 86.3 | 167.1 | -69 | -173.1 | 178 | -176.2 | 0 | 108.3 | G519 K523 | G519-K521 PolarHBondContact O-N 2.84Å; K521-K523 PolarHBondContact O-N 2.73Å | ||
| 522 | S | 44.7 | Very low | 45.4 | Very low | 86 Ų | 86 | 120.3 Ų | 120.3 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | trans | -52.5 | 135.6 | 165.8 | -68 | 0 | 0 | 0 | 0 | 108.2 | K520 T524 | K520-S522 PolarHBondContact O-N 3.28Å; S522-T524 PolarHBondContact O-N 2.71Å; S522-T524 PolarHBondContact O-OG1 2.97Å | ||
| 523 | K | 44 | Very low | 44.6 | Very low | 197 Ų | 197 | 117.6 Ų | 117.6 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | trans | -75.6 | 68.6 | 169.8 | -79.7 | -169.6 | 169.9 | -171.8 | 0 | 109.7 | K521 | K521-K523 PolarHBondContact O-N 2.73Š| ||
| 524 | T | 41.6 | Very low | 44.2 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 57% | 0.571 | 72% | 0.717 | S | S | * | * | trans | -99.8 | 73.9 | 168.9 | 44.5 | 0 | 0 | 0 | 0 | 108.3 | S522 S526 | S522-T524 PolarHBondContact O-N 2.71Å; S522-T524 PolarHBondContact O-OG1 2.97Å; T524-S526 PolarHBondContact O-N 3Å | ||
| 525 | T | 44.4 | Very low | 43.8 | Very low | 144 Ų | 144 | 112 Ų | 112 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 70.6 | 172 | 46.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 526 | S | 42.2 | Very low | 43.4 | Very low | 88 Ų | 88 | 104.7 Ų | 104.7 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.3 | -29.5 | 179.6 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | T524 | T524-S526 PolarHBondContact O-N 3Š|
| 527 | A | 43.8 | Very low | 43.2 | Very low | 65 Ų | 65 | 105.1 Ų | 105.1 | 54% | 0.537 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -83.4 | -16.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 528 | A | 43.8 | Very low | 42.8 | Very low | 93 Ų | 93 | 104.1 Ų | 104.1 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -18.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 529 | T | 50.3 | Low | 42.5 | Very low | 107 Ų | 107 | 107 Ų | 107 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -23.6 | 173.8 | 38.1 | 0 | 0 | 0 | 0 | 112.8 | A531 A532 A533 | T529-A531 VanDerWaalsContact C-N 3.3Å; T529-A531 PolarHBondContact O-N 3.23Å; T529-A532 PolarHBondContact O-N 2.82Å; T529-A532 VanDerWaalsContact O-N 3.17Å; T529-A533 PolarHBondContact O-N 3.33Å; T529-A533 VanDerWaalsContact O-N 3.08Å |
| 530 | A | 43.9 | Very low | 42.4 | Very low | 71 Ų | 71 | 109.1 Ų | 109.1 | 59% | 0.587 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -30.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 531 | A | 42.4 | Very low | 42 | Very low | 86 Ų | 86 | 104.6 Ų | 104.6 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -12.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | T529 | T529-A531 VanDerWaalsContact C-N 3.3Å; T529-A531 PolarHBondContact O-N 3.23Å |
| 532 | A | 44.4 | Very low | 41.9 | Very low | 68 Ų | 68 | 99.1 Ų | 99.1 | 56% | 0.562 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -29.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T529 A534 | T529-A532 PolarHBondContact O-N 2.82Å; T529-A532 VanDerWaalsContact O-N 3.17Å; A532-A534 VanDerWaalsContact C-N 3.3Å; A532-A534 PolarHBondContact O-N 3.14Å |
| 533 | A | 42.2 | Very low | 41.6 | Very low | 74 Ų | 74 | 100.5 Ų | 100.5 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -70.6 | -22.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T529 A535 | T529-A533 PolarHBondContact O-N 3.33Å; T529-A533 VanDerWaalsContact O-N 3.08Å; A533-A535 VanDerWaalsContact C-N 3.27Å; A533-A535 PolarHBondContact O-N 3.22Å |
| 534 | A | 42.9 | Very low | 41.2 | Very low | 88 Ų | 88 | 95.7 Ų | 95.7 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -77.2 | -5.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A532 | A532-A534 VanDerWaalsContact C-N 3.3Å; A532-A534 PolarHBondContact O-N 3.14Å |
| 535 | A | 42 | Very low | 41.2 | Very low | 93 Ų | 93 | 95.7 Ų | 95.7 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -111.2 | 6.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A533 | A533-A535 VanDerWaalsContact C-N 3.27Å; A533-A535 PolarHBondContact O-N 3.22Å |
| 536 | A | 40.1 | Very low | 40.9 | Very low | 84 Ų | 84 | 93 Ų | 93 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -115 | 15 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 537 | A | 40.1 | Very low | 40.6 | Very low | 92 Ų | 92 | 97.8 Ų | 97.8 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -108.2 | 13.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 538 | V | 38.6 | Very low | 40.4 | Very low | 124 Ų | 124 | 101.8 Ų | 101.8 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -129.5 | 147.9 | 175.3 | -173.4 | 0 | 0 | 0 | 0 | 107.8 | ||
| 539 | V | 37.8 | Very low | 40.1 | Very low | 126 Ų | 126 | 101.9 Ų | 101.9 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 70.1 | 52.9 | -173.8 | -156.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 540 | A | 35.4 | Very low | 39.5 | Very low | 109 Ų | 109 | 103.7 Ų | 103.7 | 90% | 0.901 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -121.4 | 17.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 541 | A | 36.2 | Very low | 39.1 | Very low | 105 Ų | 105 | 106.9 Ų | 106.9 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | -140.6 | 55.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 542 | A | 38.4 | Very low | 38.8 | Very low | 88 Ų | 88 | 107.7 Ų | 107.7 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -139.2 | 122.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 543 | S | 39.4 | Very low | 38.6 | Very low | 116 Ų | 116 | 112.7 Ų | 112.7 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -93.7 | 144.9 | -170.5 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 544 | A | 35.5 | Very low | 38.3 | Very low | 96 Ų | 96 | 112.5 Ų | 112.5 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | 67.5 | 145.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 545 | A | 41 | Very low | 38.1 | Very low | 93 Ų | 93 | 117.8 Ų | 117.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 64.4 | 154.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 546 | S | 39.1 | Very low | 37.8 | Very low | 86 Ų | 86 | 119.6 Ų | 119.6 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | cis | -172.5 | 139.2 | -26.5 | -97.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 547 | F | 34.4 | Very low | 37.6 | Very low | 189 Ų | 189 | 123.6 Ų | 123.6 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | 64.3 | 150.5 | 164.1 | -54.7 | -48.8 | 0 | 0 | 0 | 115.8 | ||||
| 548 | L | 40.6 | Very low | 37.3 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | cis | -153.8 | 167.5 | -3.2 | -116.1 | 162.2 | 0 | 0 | 0 | 110.2 | ||||
| 549 | S | 37.1 | Very low | 37 | Very low | 94 Ų | 94 | 124.3 Ų | 124.3 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | trans | -15.1 | 155.5 | 152.1 | -137 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 550 | V | 38.9 | Very low | 36.8 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | -152.9 | -175.1 | 51 | -91.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 551 | N | 34.6 | Very low | 36.7 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -131.1 | 142.8 | -149.6 | -157.4 | -16.2 | 0 | 0 | 0 | 113.9 | ||||
| 552 | S | 35.4 | Very low | 36.6 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 66.6 | 176.7 | 146.6 | -77.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 553 | I | 40.8 | Very low | 36.3 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | 85.2 | 132 | 174.8 | -49 | 166.6 | 0 | 0 | 0 | 114 | ||||
| 554 | G | 37 | Very low | 36 | Very low | 70 Ų | 70 | 128.4 Ų | 128.4 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -168 | 160.5 | 0 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 555 | K | 37.2 | Very low | 35.6 | Very low | 198 Ų | 198 | 130.2 Ų | 130.2 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -65.3 | -174.7 | -173.4 | -61.3 | 164.3 | 176.6 | 170.3 | 0 | 115.4 | ||||
| 556 | T | 36 | Very low | 35.4 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 89.3 | 141 | 171.1 | 72.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 557 | L | 37.1 | Very low | 34.9 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | cis | -149.3 | 169.9 | -9.2 | -116.3 | 164.1 | 0 | 0 | 0 | 108.2 | ||||
| 558 | G | 33.6 | Very low | 34.6 | Very low | 62 Ų | 62 | 130.9 Ų | 130.9 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | trans | -172.5 | 162.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 559 | L | 31.3 | Very low | 34 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -164.6 | 134.1 | 169.7 | -110.2 | 163.6 | 0 | 0 | 0 | 111.3 | ||||
| 560 | P | 34.8 | Very low | 33.7 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | trans | -123.8 | -164 | 172.2 | 35.9 | -19.1 | 0 | 0 | 0 | 112.7 | ||||
| 561 | L | 33.4 | Very low | 33.2 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 82.3 | 155.6 | 172.7 | -45.9 | -178.4 | 0 | 0 | 0 | 113.6 | ||||
| 562 | T | 33.7 | Very low | 33 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | cis | -140.7 | 164 | 32.3 | 43.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 563 | V | 30.7 | Very low | 32.9 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -98.7 | 140.1 | 171.8 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 564 | A | 34 | Very low | 32.6 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -109.6 | 137.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 565 | N | 28 | Very low | 32.1 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | -123.5 | 143.7 | -178 | -154 | 3.3 | 0 | 0 | 0 | 107.9 | ||||
| 566 | P | 35.6 | Very low | 31.9 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -133.3 | 153.6 | 131.2 | 36.5 | -27.5 | 0 | 0 | 0 | 113.6 | ||||
| 567 | S | 28 | Very low | 31.5 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -88.1 | -170.7 | -178.8 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 568 | I | 29.7 | Very low | 31.2 | Very low | 162 Ų | 162 | 120.8 Ų | 120.8 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | trans | 85 | 99.5 | 176.6 | -50.8 | 166.9 | 0 | 0 | 0 | 111.4 | ||||
| 569 | S | 27.5 | Very low | 30.9 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | 77 | 96.5 | 62.1 | 174.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 570 | V | 30.8 | Very low | 30.7 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | -167 | 170.2 | 123.4 | -95.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 571 | N | 27.3 | Very low | 30.5 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | trans | 23.4 | 119.1 | 154.7 | 62.7 | -9 | 0 | 0 | 0 | 122.5 | ||||
| 572 | N | 31.6 | Very low | 30.4 | Very low | 145 Ų | 145 | 119.3 Ų | 119.3 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | -171.6 | 150.2 | 102.1 | -101.3 | -30.8 | 0 | 0 | 0 | 116.8 | |||||
| 573 | S | 33.4 | Very low | 30.4 | Very low | 102 Ų | 102 | 117.6 Ų | 117.6 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | trans | 34.3 | 107.3 | 147.3 | -55.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 574 | S | 33.1 | Very low | 30.6 | Very low | 111 Ų | 111 | 116.7 Ų | 116.7 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | 161.6 | 72.7 | 109.4 | 68.5 | 0 | 0 | 0 | 0 | 114.7 | S576 | S574-S576 VanDerWaalsContact C-N 3.35Å; S574-S576 PolarHBondContact O-N 2.87Å | |||
| 575 | C | 26.3 | Very low | 30.3 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | trans | -73.8 | 76.8 | 177.2 | -72.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 576 | S | 32.9 | Very low | 30.6 | Very low | 83 Ų | 83 | 119 Ų | 119 | 58% | 0.58 | 71% | 0.713 | S | S | * | * | trans | -96.7 | 138.4 | 163.4 | 75.4 | 0 | 0 | 0 | 0 | 111 | S574 F578 | S574-S576 VanDerWaalsContact C-N 3.35Å; S574-S576 PolarHBondContact O-N 2.87Å; S576-F578 PolarHBondContact O-N 3.19Å; S576-F578 VanDerWaalsContact O-N 3.1Å | ||
| 577 | V | 28.5 | Very low | 30.3 | Very low | 132 Ų | 132 | 116.3 Ų | 116.3 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | trans | -87.6 | 85.6 | -163.6 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 578 | F | 29.9 | Very low | 30.7 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 54% | 0.539 | 72% | 0.717 | S | S | . | * | trans | -127 | 87.9 | 169.3 | -62.4 | -52.4 | 0 | 0 | 0 | 112.7 | S576 F580 | S576-F578 PolarHBondContact O-N 3.19Å; S576-F578 VanDerWaalsContact O-N 3.1Å; F578-F580 PolarHBondContact O-N 3.17Å; F578-F580 VanDerWaalsContact O-N 3.14Å | ||
| 579 | D | 27.6 | Very low | 30.8 | Very low | 167 Ų | 167 | 117.7 Ų | 117.7 | 89% | 0.893 | 72% | 0.719 | S | S | * | * | trans | -67.1 | 101.3 | 164.3 | -177.8 | 10.3 | 0 | 0 | 0 | 108.9 | ||||
| 580 | F | 28 | Very low | 31.1 | Very low | 77 Ų | 77 | 117.9 Ų | 117.9 | 34% | 0.338 | 72% | 0.72 | S | S | . | * | trans | -141.4 | 151.5 | -174.1 | -126.1 | -81 | 0 | 0 | 0 | 111.1 | D499 L503 F578 | D499-F580 HydrophobicContact CB-CE2 4.08Å; D499-F580 HydrophobicContact CB-CZ 3.87Å; D499-F580 WeakPolarHBondContact O-CZ 3.41Å; L503-F580 HydrophobicContact CB-CE1 4.17Å; L503-F580 HydrophobicContact CB-CZ 4.14Å; L503-F580 HydrophobicContact CD1-CE1 4.31Å; L503-F580 HydrophobicContact CD2-CE1 4.34Å; F578-F580 PolarHBondContact O-N 3.17Å; F578-F580 VanDerWaalsContact O-N 3.14Å | ||
| 581 | S | 31.3 | Very low | 31.1 | Very low | 82 Ų | 82 | 120.8 Ų | 120.8 | 57% | 0.573 | 73% | 0.725 | S | S | * | * | trans | 66.3 | 74.1 | 165.6 | -59.2 | 0 | 0 | 0 | 0 | 117.8 | I583 | S581-I583 VanDerWaalsContact C-N 3.3Å; S581-I583 PolarHBondContact O-N 3.28Å | ||
| 582 | S | 29.9 | Very low | 31.3 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 94% | 0.944 | 73% | 0.726 | S | S | * | * | -81.1 | 86.7 | 124.8 | -53.2 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 583 | I | 33.1 | Very low | 31.2 | Very low | 100 Ų | 100 | 119.9 Ų | 119.9 | 51% | 0.513 | 73% | 0.728 | S | S | . | * | trans | -133.7 | 134.2 | 165.9 | -61.7 | -178.7 | 0 | 0 | 0 | 106.4 | L503 S581 | L503-I583 HydrophobicContact CD2-CD1 4.28Å; S581-I583 VanDerWaalsContact C-N 3.3Å; S581-I583 PolarHBondContact O-N 3.28Å | ||
| 584 | T | 35.3 | Very low | 31.1 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | -103.4 | 154.2 | -166.3 | 42.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 585 | N | 29 | Very low | 31 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | 68 | 149.2 | 172.1 | -47.5 | -33.5 | 0 | 0 | 0 | 114.1 | ||||
| 586 | V | 33.6 | Very low | 30.9 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | cis | -133.5 | 152.2 | 11.7 | -179.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 587 | G | 29.4 | Very low | 31 | Very low | 65 Ų | 65 | 126 Ų | 126 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | cis | 139.6 | 117.1 | 1.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 588 | T | 35.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 123 Ų | 123 | 91% | 0.908 | 74% | 0.738 | S | S | * | * | trans | -148 | 160.2 | 179.4 | 21 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 589 | T | 31.8 | Very low | 31.2 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -128.6 | 118.8 | -157.6 | 48.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 590 | S | 35.2 | Very low | 31.3 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -169.8 | 125.1 | 149.5 | 40.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 591 | Q | 31.1 | Very low | 31.2 | Very low | 189 Ų | 189 | 128.1 Ų | 128.1 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | 52.1 | 120.8 | 84.2 | -65.3 | -174 | 3.2 | 0 | 0 | 112.4 | |||||
| 592 | S | 31.7 | Very low | 31 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | cis | -162.1 | 159.5 | 3.3 | 59.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 593 | N | 29.4 | Very low | 30.9 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | 78.6 | 148.3 | 151.4 | -61.4 | -12 | 0 | 0 | 0 | 122.9 | ||||
| 594 | A | 31.3 | Very low | 30.7 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 66.6 | 65.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 595 | C | 29.3 | Very low | 30.5 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 92% | 0.919 | 77% | 0.77 | S | S | * | * | -179.9 | 88.8 | 118.3 | -102.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 596 | F | 25.8 | Very low | 30.8 | Very low | 189 Ų | 189 | 127.5 Ų | 127.5 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -144.2 | 110.9 | 167.7 | -164.5 | -83 | 0 | 0 | 0 | 109.8 | ||||
| 597 | S | 34.1 | Very low | 30.7 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -109.6 | 113.8 | 165 | -60.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 598 | S | 32.8 | Very low | 30.7 | Very low | 68 Ų | 68 | 129.3 Ų | 129.3 | 48% | 0.476 | 77% | 0.771 | S | S | . | * | 84.5 | 129.1 | 75 | -74.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 599 | Y | 30.2 | Very low | 30.5 | Very low | 205 Ų | 205 | 129.6 Ų | 129.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | cis | -134.5 | 163.8 | -10.9 | -81.1 | -83.5 | 0 | 0 | 0 | 106.7 | ||||
| 600 | Q | 28.8 | Very low | 30.5 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | 59.5 | 149.2 | 46.1 | -69.9 | -165.6 | 29.1 | 0 | 0 | 113.2 | ||||
| 601 | N | 27.1 | Very low | 30.3 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | cis | -149 | 149.3 | -8.1 | -104.1 | -8.4 | 0 | 0 | 0 | 107 | ||||
| 602 | V | 27.4 | Very low | 30.4 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | 79.2 | 120 | 63.3 | 176.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 603 | S | 27.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | 71.8 | 156.8 | 166.9 | -58.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 604 | S | 28.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | cis | -145.2 | 169.8 | 23.6 | -58.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 605 | A | 31.6 | Very low | 30.7 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | -91.5 | -157 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 606 | P | 34.6 | Very low | 30.7 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 81% | 0.805 | 72% | 0.719 | S | S | * | * | cis | -140.5 | -169.6 | -0.2 | 45.4 | -26.7 | 0 | 0 | 0 | 115.7 | ||||
| 607 | S | 31.5 | Very low | 31 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | trans | -163.1 | 164.2 | 147.5 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 608 | N | 29.8 | Very low | 30.9 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | trans | -163.6 | 153.6 | -170.5 | -170 | 19.3 | 0 | 0 | 0 | 112.8 | ||||
| 609 | M | 32 | Very low | 30.7 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | 64.1 | 159.5 | 175.4 | -51.8 | -59.7 | -176.6 | 0 | 0 | 115.8 | ||||
| 610 | N | 30.9 | Very low | 30.8 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | cis | -152.8 | 157.5 | 6 | -161.7 | 16.9 | 0 | 0 | 0 | 113.1 | ||||
| 611 | E | 30.2 | Very low | 30.8 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 62% | 0.621 | 74% | 0.735 | S | S | * | * | trans | 56.8 | 159 | 153.7 | -89.3 | 175.8 | 75.2 | 0 | 0 | 119.9 | ||||
| 612 | K | 33.1 | Very low | 31.1 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | cis | -154.2 | 149.1 | 7.2 | -149.2 | -171.8 | -169.9 | 81.2 | 0 | 110.6 | ||||
| 613 | T | 31.3 | Very low | 31.2 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 48.3 | 141.3 | 153.3 | 41.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 614 | A | 33.8 | Very low | 31.5 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | cis | -161 | -170.3 | -8.9 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 615 | D | 34 | Very low | 31.5 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | cis | -136.3 | 174.3 | 2.9 | -101.3 | -62.3 | 0 | 0 | 0 | 107.3 | ||||
| 616 | T | 29 | Very low | 31.5 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | 62 | 118.8 | 55.2 | -18 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 617 | Q | 32.9 | Very low | 31.2 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -146.8 | 166.3 | 32 | -70.5 | 172.1 | -7 | 0 | 0 | 114 | ||||
| 618 | Q | 31.8 | Very low | 31.1 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | 60 | 124.5 | 147.7 | -76.9 | 165.5 | -35.5 | 0 | 0 | 120.1 | ||||
| 619 | I | 28.3 | Very low | 31.3 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | cis | 63.5 | 126.9 | 40.5 | -54.4 | 178.9 | 0 | 0 | 0 | 111.5 | ||||
| 620 | P | 33.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | cis | -130.1 | -174.7 | 28.6 | 26 | -1.5 | 0 | 0 | 0 | 116.3 | ||||
| 621 | A | 28 | Very low | 31.5 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -89 | 153.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 622 | S | 34 | Very low | 31.8 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -152.4 | 134.9 | 151.7 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 623 | L | 29.8 | Very low | 31.5 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 27 | 126.2 | 138.2 | -48.1 | 171 | 0 | 0 | 0 | 117.3 | ||||
| 624 | S | 33.8 | Very low | 31.6 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -163.3 | 154.6 | 48.2 | -60.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 625 | T | 26.8 | Very low | 31.6 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | -50.7 | 127.9 | 170.8 | -53.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 626 | I | 32 | Very low | 31.4 | Very low | 160 Ų | 160 | 139 Ų | 139 | 82% | 0.821 | 79% | 0.788 | S | S | * | * | trans | -134.8 | 116.9 | 143.5 | -59.1 | -177 | 0 | 0 | 0 | 108.3 | ||||
| 627 | S | 28.9 | Very low | 31.5 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | -122.5 | 113.4 | -179.7 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 628 | F | 30.2 | Very low | 31.6 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | -151.6 | 153.5 | 173 | -89.9 | -56.1 | 0 | 0 | 0 | 110.7 | ||||
| 629 | P | 33.4 | Very low | 31.6 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | -115.9 | 171.9 | -96.9 | 39.9 | -37.1 | 0 | 0 | 0 | 115.5 | |||||
| 630 | L | 30.4 | Very low | 31.7 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -59.3 | 146 | 166.6 | -89.6 | 63.2 | 0 | 0 | 0 | 111.3 | T632 | L630-T632 PolarHBondContact O-N 3.14Š| ||
| 631 | P | 37 | Very low | 31.7 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | trans | -75.8 | 75.4 | 169.1 | 32.8 | -34.9 | 0 | 0 | 0 | 110.4 | ||||
| 632 | T | 35 | Very low | 32.1 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 64% | 0.638 | 77% | 0.769 | S | S | * | * | trans | -59.9 | 138.8 | 168.3 | -52.5 | 0 | 0 | 0 | 0 | 109.5 | L630 Q634 | L630-T632 PolarHBondContact O-N 3.14Å; T632-Q634 HydrophobicContact CG2-CG 4.43Å; T632-Q634 PolarHBondContact O-N 2.96Å | ||
| 633 | C | 28.6 | Very low | 32.2 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 92% | 0.919 | 77% | 0.767 | S | S | * | * | trans | -71.1 | 91.2 | 172.6 | -63.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 634 | Q | 33.3 | Very low | 32.3 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -100.3 | 155.7 | 170.7 | -79.4 | -173.4 | -35.3 | 0 | 0 | 112.1 | T632 | T632-Q634 HydrophobicContact CG2-CG 4.43Å; T632-Q634 PolarHBondContact O-N 2.96Å | ||
| 635 | Q | 32.1 | Very low | 32.2 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -77.6 | 148.2 | -172.6 | -61.9 | 155.7 | -62 | 0 | 0 | 111.3 | H637 | Q635-H637 HydrophobicContact CB-CB 4.13Å; Q635-H637 PolarHBondContact O-N 3.16Å | ||
| 636 | L | 30.7 | Very low | 32.5 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 98% | 0.979 | 76% | 0.758 | S | S | * | * | trans | -74.6 | 106 | 145.4 | -84.5 | 165.7 | 0 | 0 | 0 | 107 | ||||
| 637 | H | 31.6 | Very low | 32.5 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 61% | 0.606 | 75% | 0.751 | S | S | * | * | trans | -133.1 | 98.8 | 174.7 | -148 | 125.8 | 0 | 0 | 0 | 108.2 | Q635 | Q635-H637 HydrophobicContact CB-CB 4.13Å; Q635-H637 PolarHBondContact O-N 3.16Å | ||
| 638 | L | 34.2 | Very low | 32.7 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | trans | -163.4 | 131 | 177.2 | -146 | 78.2 | 0 | 0 | 0 | 110.6 | ||||
| 639 | P | 31 | Very low | 32.7 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | cis | -97 | 169.3 | -25.4 | 38.3 | -30.1 | 0 | 0 | 0 | 112.1 | ||||
| 640 | S | 31.3 | Very low | 32.6 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 56% | 0.559 | 76% | 0.759 | S | S | * | * | trans | -84.8 | 137.2 | 170.7 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 641 | Q | 33.8 | Very low | 32.6 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -138.2 | 92.2 | 142.7 | -85.2 | -54.8 | -52.2 | 0 | 0 | 110.8 | ||||
| 642 | H | 36.5 | Very low | 32.2 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 60% | 0.597 | 76% | 0.757 | S | S | * | * | trans | 70.7 | 116.9 | 148.6 | -77.7 | -116.5 | 0 | 0 | 0 | 121.9 | ||||
| 643 | H | 36 | Very low | 32 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 61.7 | 119.3 | 135.5 | -74.4 | -101.5 | 0 | 0 | 0 | 119.2 | ||||
| 644 | S | 31.5 | Very low | 32.4 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | cis | 63.5 | 134.5 | 22.2 | -33.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 645 | T | 32.2 | Very low | 32.2 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | cis | -166.2 | 169.3 | 30.4 | -37.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 646 | L | 32.6 | Very low | 32.4 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | 109.5 | 124 | 155.4 | -61.1 | 173.1 | 0 | 0 | 0 | 114.6 | ||||
| 647 | A | 32.7 | Very low | 32.6 | Very low | 82 Ų | 82 | 131 Ų | 131 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | 72.7 | 142.9 | 60.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 648 | S | 31.7 | Very low | 32.8 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -170.4 | 165.5 | -7.7 | -107 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 649 | L | 30.9 | Very low | 32.6 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | trans | 65.4 | 137.4 | 155.6 | -69.6 | 157.9 | 0 | 0 | 0 | 121.5 | ||||
| 650 | A | 31.1 | Very low | 32.8 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | 65.1 | 169.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 651 | G | 30 | Very low | 33 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 79.3 | 125.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 652 | I | 30.2 | Very low | 33.1 | Very low | 167 Ų | 167 | 130 Ų | 130 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | cis | 69.6 | 109 | 26.8 | -49.8 | 179.8 | 0 | 0 | 0 | 113.9 | ||||
| 653 | A | 31 | Very low | 33.1 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | trans | 74.7 | 132.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 654 | Q | 36.1 | Very low | 33.4 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 72.3 | 107.9 | 135.5 | -66.8 | 169 | -2 | 0 | 0 | 122.5 | ||||
| 655 | Y | 29.7 | Very low | 33.6 | Very low | 209 Ų | 209 | 134.5 Ų | 134.5 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | 66.7 | 139.9 | 126.3 | -82.4 | -84.8 | 0 | 0 | 0 | 124.9 | |||||
| 656 | H | 36 | Very low | 33.9 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | trans | 74.3 | 121.4 | 148.8 | -106.2 | -67.8 | 0 | 0 | 0 | 122.2 | ||||
| 657 | P | 34.2 | Very low | 34 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -103.5 | 143.3 | 155.3 | 36.5 | -28.5 | 0 | 0 | 0 | 112.1 | ||||
| 658 | A | 36.1 | Very low | 34.5 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | trans | -168.6 | 151.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 659 | L | 30.9 | Very low | 34.9 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 67.4 | 144.8 | 169.8 | -44.7 | -177 | 0 | 0 | 0 | 114.9 | ||||
| 660 | F | 35.1 | Very low | 34.8 | Very low | 203 Ų | 203 | 137.8 Ų | 137.8 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | cis | -129.9 | 170.3 | 29.9 | -104.8 | -99.2 | 0 | 0 | 0 | 115 | ||||
| 661 | S | 35 | Very low | 34.9 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -122.5 | 153.3 | -174.7 | -53.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 662 | A | 35.9 | Very low | 35 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -148.3 | 129.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 663 | H | 37 | Very low | 35.1 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -110.4 | -163.2 | 167.8 | -130.2 | -33.5 | 0 | 0 | 0 | 106.3 | ||||
| 664 | P | 41.4 | Very low | 35.2 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | -156.9 | -176.4 | 25.8 | 49.9 | -29.2 | 0 | 0 | 0 | 119.1 | ||||
| 665 | R | 36.3 | Very low | 35 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | trans | 66.8 | 156.4 | 147.2 | -55.9 | -125.2 | 148.8 | -150 | -8.1 | 118.9 | ||||
| 666 | Q | 37 | Very low | 35.7 | Very low | 134 Ų | 134 | 132 Ų | 132 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | cis | -160 | 132.7 | -7 | -118.9 | 169.9 | -53.1 | 0 | 0 | 110.8 | ||||
| 667 | F | 35.7 | Very low | 35.5 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | 91.5 | 157.3 | 96.7 | -86.8 | -7.3 | 0 | 0 | 0 | 118.8 | |||||
| 668 | P | 43.9 | Very low | 35.2 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 59% | 0.591 | 76% | 0.759 | S | S | * | * | trans | -132.4 | -165.7 | -145.9 | 45.3 | -29.1 | 0 | 0 | 0 | 115.8 | ||||
| 669 | H | 38.5 | Very low | 35 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 159.3 | 130.4 | 126.3 | -87.4 | -72.1 | 0 | 0 | 0 | 115.9 | |||||
| 670 | T | 29.7 | Very low | 35.1 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | 56.4 | 156.6 | 143.4 | 61.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 671 | A | 33.8 | Very low | 35.3 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | cis | -153.8 | 162.2 | 6.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 672 | T | 30.4 | Very low | 35.1 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | trans | 29.7 | 137 | 131.4 | -50.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 673 | A | 32.5 | Very low | 34.7 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | cis | -174.1 | -177.2 | -13.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 674 | A | 33.7 | Very low | 34.5 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | 83.6 | 99.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 675 | N | 32.4 | Very low | 34 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | 27.6 | 154.7 | 114.5 | -81.4 | -8.2 | 0 | 0 | 0 | 122.6 | |||||
| 676 | P | 44 | Very low | 33.6 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | cis | -143.8 | -158.3 | -42.3 | 36.5 | -13.6 | 0 | 0 | 0 | 113.7 | ||||
| 677 | V | 31.4 | Very low | 33.2 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | trans | 95.8 | 93.3 | 160.1 | -165.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 678 | S | 28.7 | Very low | 32.9 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | 66.2 | 161.9 | 123.1 | -147.3 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 679 | I | 30.8 | Very low | 32.2 | Very low | 161 Ų | 161 | 124.4 Ų | 124.4 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | 101.4 | 137.8 | 165.6 | -54.9 | 174.7 | 0 | 0 | 0 | 117.7 | ||||
| 680 | Y | 33.1 | Very low | 31.8 | Very low | 220 Ų | 220 | 126.7 Ų | 126.7 | 86% | 0.863 | 75% | 0.749 | S | S | * | * | trans | -86.7 | -170.9 | -175 | -94.3 | -96.1 | 0 | 0 | 0 | 112.7 | ||||
| 681 | P | 39.7 | Very low | 31.8 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 62% | 0.623 | 74% | 0.744 | S | S | * | * | cis | -138.7 | -176.2 | -4.2 | 24 | 2.5 | 0 | 0 | 0 | 117.5 | ||||
| 682 | T | 30 | Very low | 31.5 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | 67.1 | 124.5 | 145.6 | 41.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 683 | N | 29.3 | Very low | 31.4 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | 76.3 | 141.1 | 71.7 | -93.6 | -24 | 0 | 0 | 0 | 114.3 | |||||
| 684 | Q | 31.2 | Very low | 31.2 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | cis | -167.4 | 150.2 | 2.5 | -151.7 | 169.5 | 79 | 0 | 0 | 113.2 | ||||
| 685 | T | 30.9 | Very low | 31 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 58% | 0.583 | 75% | 0.747 | S | S | * | * | trans | 58.3 | 171.5 | 151.4 | 40.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 686 | T | 28.9 | Very low | 30.9 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 61% | 0.613 | 74% | 0.741 | S | S | * | * | cis | -153.7 | 141.5 | 8.5 | -14.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 687 | S | 28.9 | Very low | 30.1 | Very low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 51.9 | 171.9 | 134.7 | 78 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 688 | M | 29.6 | Very low | 30.3 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | cis | -125.1 | 153.8 | -10 | -83.5 | -164.1 | -77.7 | 0 | 0 | 108.2 | ||||
| 689 | G | 28.6 | Very low | 30.7 | Very low | 61 Ų | 61 | 131.5 Ų | 131.5 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | 95.5 | 113 | 86.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 690 | F | 29.9 | Very low | 30.7 | Very low | 206 Ų | 206 | 132.4 Ų | 132.4 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | 45.4 | 133.3 | 67.4 | -72.1 | -78.8 | 0 | 0 | 0 | 112.3 | |||||
| 691 | T | 29.3 | Very low | 30.6 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | -169.2 | 169.2 | 70.8 | 42.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 692 | T | 28.3 | Very low | 30 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | 66.1 | 154.3 | 146.3 | 38.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 693 | A | 28.1 | Very low | 29.9 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | cis | -147.6 | -178.6 | -16.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 694 | N | 29 | Very low | 30.3 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | -167.5 | 174.3 | 72.1 | -149.7 | -9 | 0 | 0 | 0 | 113 | |||||
| 695 | S | 29.1 | Very low | 30.6 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -145.2 | 159.4 | -173.3 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 696 | G | 29.5 | Very low | 30.5 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 95.3 | 156.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 697 | S | 27.3 | Very low | 30.7 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | cis | -155.2 | 172.6 | 2.6 | -79.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 698 | Y | 36.6 | Very low | 30.8 | Very low | 230 Ų | 230 | 139.8 Ų | 139.8 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -60.5 | 157.5 | 167.9 | -88.8 | -97 | 0 | 0 | 0 | 112.4 | ||||
| 699 | P | 37.5 | Very low | 30.8 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | -135.4 | -170.1 | 117.2 | 39.8 | -30.9 | 0 | 0 | 0 | 114.2 | |||||
| 700 | H | 29.1 | Very low | 30.9 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -135.3 | 135.8 | -164.9 | 172.8 | -82.9 | 0 | 0 | 0 | 111.2 | ||||
| 701 | A | 32.1 | Very low | 31.1 | Very low | 75 Ų | 75 | 137 Ų | 137 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | trans | 55.7 | 124.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 702 | Q | 27.4 | Very low | 31.1 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -174.8 | 125.5 | 139.2 | -98.6 | 155.6 | 36.7 | 0 | 0 | 107.6 | ||||
| 703 | V | 26.6 | Very low | 31.4 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | 76.2 | 131.3 | 81.8 | 175 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 704 | M | 38.5 | Very low | 31.6 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | -72.1 | 164.3 | -178.9 | -56.4 | -83.2 | -164.6 | 0 | 0 | 111.7 | ||||
| 705 | P | 37.7 | Very low | 31.8 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | -144.4 | 170.1 | 91.4 | 39.7 | -25.5 | 0 | 0 | 0 | 115.6 | |||||
| 706 | F | 29.4 | Very low | 32.1 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -66 | 157.2 | 157.8 | -76.9 | -115 | 0 | 0 | 0 | 110.3 | ||||
| 707 | L | 33.3 | Very low | 32.3 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -145.9 | 148.1 | 133.2 | -112.9 | 176.5 | 0 | 0 | 0 | 111 | ||||
| 708 | V | 29.9 | Very low | 32.6 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 66% | 0.655 | 78% | 0.784 | S | S | * | * | trans | -106.1 | 144.1 | 179.9 | 172.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 709 | N | 29.4 | Very low | 32.4 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -144.8 | 159 | 141.4 | -151.1 | 1.6 | 0 | 0 | 0 | 112.1 | ||||
| 710 | S | 30.9 | Very low | 32.1 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 57% | 0.566 | 78% | 0.775 | S | S | * | * | trans | -107.6 | 170.6 | -169.6 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 711 | N | 34.2 | Very low | 32.2 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | 149.2 | 111.4 | 144.9 | -73.8 | -15.6 | 0 | 0 | 0 | 107.9 | ||||
| 712 | N | 29.4 | Very low | 32.3 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | cis | 83.1 | 143.8 | 31.8 | -156.6 | 13.8 | 0 | 0 | 0 | 113.9 | ||||
| 713 | T | 33.7 | Very low | 32.6 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | 64.3 | 146.1 | -159.2 | 75.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 714 | G | 32.3 | Very low | 33 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | cis | 168.3 | 165.2 | -4.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 715 | A | 33.8 | Very low | 32.7 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | cis | -166.7 | 175.1 | -12.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 716 | S | 34.6 | Very low | 32.4 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 81 | 137.6 | 150.3 | -55 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 717 | S | 35.2 | Very low | 32.6 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 67.8 | 118.6 | 155.6 | -51.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 718 | S | 32.7 | Very low | 32.6 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | 65.4 | 133 | 54.3 | 83.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 719 | I | 33.1 | Very low | 32.5 | Very low | 159 Ų | 159 | 124.5 Ų | 124.5 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | -144.5 | 157.2 | 52.7 | -80.6 | 165.7 | 0 | 0 | 0 | 112.9 | |||||
| 720 | S | 30.2 | Very low | 32.7 | Very low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -83.8 | 157.9 | 177.2 | -35.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 721 | F | 31.7 | Very low | 32.8 | Very low | 207 Ų | 207 | 122 Ų | 122 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -150.6 | 165.9 | 140 | -129 | -89.1 | 0 | 0 | 0 | 112.8 | ||||
| 722 | L | 33.6 | Very low | 32.7 | Very low | 159 Ų | 159 | 122.1 Ų | 122.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -95.5 | 156.4 | -162.1 | -68.6 | 156 | 0 | 0 | 0 | 114.5 | ||||
| 723 | G | 35.2 | Very low | 33 | Very low | 80 Ų | 80 | 123.6 Ų | 123.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -175.2 | 90.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 724 | T | 34.2 | Very low | 32.8 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -92.4 | 133.8 | -176.9 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 725 | N | 32.2 | Very low | 32.5 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | 173.9 | 142.5 | 141.4 | -87.9 | -27 | 0 | 0 | 0 | 107.8 | ||||
| 726 | A | 31.9 | Very low | 32.4 | Very low | 80 Ų | 80 | 121 Ų | 121 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | cis | 170.2 | 168.8 | -18.4 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 727 | V | 33.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 121.4 Ų | 121.4 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | 75.4 | 87.4 | 166.9 | -165.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 728 | S | 33.9 | Very low | 31.8 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | 62.1 | 77.3 | 123.2 | -47.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 729 | D | 27.7 | Very low | 31.4 | Very low | 150 Ų | 150 | 123 Ų | 123 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | 50.5 | 154.8 | 99.5 | -163.6 | 33.2 | 0 | 0 | 0 | 123.1 | |||||
| 730 | S | 32.3 | Very low | 31.3 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 89.5 | 115.5 | 149.2 | -89.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 731 | G | 34.6 | Very low | 31.2 | Very low | 81 Ų | 81 | 122.4 Ų | 122.4 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | 170.7 | -9.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 732 | N | 31.5 | Very low | 31.2 | Very low | 153 Ų | 153 | 115.8 Ų | 115.8 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -111.5 | 69.4 | -167.2 | -163.9 | 21.1 | 0 | 0 | 0 | 114.6 | N734 | N732-N734 PolarHBondContact O-N 3.37Š| ||
| 733 | N | 35.8 | Very low | 31 | Very low | 174 Ų | 174 | 115.4 Ų | 115.4 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | trans | -78.9 | 111.1 | -177 | -81.2 | -17 | 0 | 0 | 0 | 113.8 | ||||
| 734 | N | 29.4 | Very low | 30.6 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 54% | 0.535 | 76% | 0.756 | S | S | . | * | trans | -132.3 | 107.8 | 175.4 | -177.9 | 58.7 | 0 | 0 | 0 | 112.2 | K484 N732 | K484-N734 PolarHBondContact NZ-OD1 3.08Å; N732-N734 PolarHBondContact O-N 3.37Å | ||
| 735 | C | 26.5 | Very low | 30.3 | Very low | 64 Ų | 64 | 123.2 Ų | 123.2 | 43% | 0.432 | 76% | 0.756 | S | S | . | * | trans | 71.4 | 168.4 | 160.3 | -66.9 | 0 | 0 | 0 | 0 | 119.1 | K482 | K482-C735 HydrophobicContact CD-CB 3.84Å; K482-C735 HydrophobicContact CG-CB 4.48Å | ||
| 736 | S | 30.9 | Very low | 30 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | trans | 72.9 | 120.9 | -179.1 | -52.7 | 0 | 0 | 0 | 0 | 113 | K482 | K482-S736 PolarHBondContact NZ-OG 3.24Š| ||
| 737 | V | 27.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | cis | 61.7 | 77.2 | 32.9 | -164.2 | 0 | 0 | 0 | 0 | 111.6 | N739 | V737-N739 HydrophobicContact CG1-CB 4.4Š| ||
| 738 | A | 30.2 | Very low | 29.9 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -75 | 141.7 | 143.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 739 | N | 24.4 | Very low | 29.9 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -134.6 | 99.4 | -177.4 | 178.7 | 65.2 | 0 | 0 | 0 | 108.8 | V737 | V737-N739 HydrophobicContact CG1-CB 4.4Š| ||
| 740 | T | 31.4 | Very low | 30.2 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -133.7 | 99.1 | 179.4 | 48.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 741 | S | 28.3 | Very low | 30.4 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | 1.1 | 128 | 142.4 | -43.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 742 | G | 30.3 | Very low | 30.5 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | -161 | 32.6 | -172 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 743 | V | 30.6 | Very low | 30.7 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | trans | 66.6 | 167.8 | 159 | -174.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 744 | Y | 26.8 | Very low | 30.8 | Very low | 206 Ų | 206 | 119.9 Ų | 119.9 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | trans | -109 | 172.4 | -169.7 | -121.9 | -131.8 | 0 | 0 | 0 | 111.9 | ||||
| 745 | Q | 28.1 | Very low | 31 | Very low | 161 Ų | 161 | 122.3 Ų | 122.3 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 71.1 | 111.3 | 156 | -76.4 | 162.3 | -21.2 | 0 | 0 | 120.8 | ||||
| 746 | S | 25.3 | Very low | 31.5 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | 20.2 | 142 | 116.3 | 59.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 747 | S | 29 | Very low | 31.7 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | cis | -152.9 | 175.4 | 41 | -62.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 748 | S | 32.9 | Very low | 32 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -68.9 | 177.9 | 170.4 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 749 | S | 34.3 | Very low | 32.2 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | cis | -170.1 | -172.4 | 29.9 | -155.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 750 | Q | 34.6 | Very low | 33.1 | Very low | 140 Ų | 140 | 128 Ų | 128 | 65% | 0.654 | 76% | 0.762 | S | S | * | * | trans | 87.7 | 150 | 162.9 | -49.2 | -161 | 50.5 | 0 | 0 | 120.1 | ||||
| 751 | K | 37.4 | Very low | 33.2 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | cis | -169.6 | 166.4 | -40.7 | -150.1 | -171.6 | 174.7 | -173 | 0 | 111.7 | ||||
| 752 | M | 35 | Very low | 33.6 | Very low | 178 Ų | 178 | 125.7 Ų | 125.7 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | trans | 83.4 | 148.6 | 161.7 | -44.6 | -148.8 | -65.2 | 0 | 0 | 118.2 | ||||
| 753 | G | 36.1 | Very low | 33.8 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | cis | 168.1 | 161.3 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 754 | A | 37.8 | Very low | 34 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | 74.5 | 150.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 755 | D | 34.9 | Very low | 34.2 | Very low | 150 Ų | 150 | 121.2 Ų | 121.2 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | cis | -163.9 | 175.9 | -14.8 | -133.1 | -35.9 | 0 | 0 | 0 | 116.2 | ||||
| 756 | V | 37 | Very low | 34.4 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 76.8 | 99.9 | 143.1 | 162.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 757 | T | 34.8 | Very low | 34.8 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 67.6 | 167.1 | 134.7 | 69.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 758 | S | 33.7 | Very low | 34.9 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | cis | -171.9 | 163 | -40.2 | -83.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 759 | F | 33 | Very low | 34.8 | Very low | 204 Ų | 204 | 131.7 Ų | 131.7 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | 91.8 | 140.8 | 155 | -64.7 | -65.7 | 0 | 0 | 0 | 123.1 | ||||
| 760 | P | 43.3 | Very low | 34.9 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -133.1 | -158 | 179.7 | 44.1 | -25.2 | 0 | 0 | 0 | 114.3 | ||||
| 761 | V | 33.8 | Very low | 34.8 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | 140.4 | 138.8 | 142.8 | 168.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 762 | G | 36.3 | Very low | 34.5 | Very low | 63 Ų | 63 | 129.1 Ų | 129.1 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | 111.6 | 156.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 763 | T | 35.1 | Very low | 34.4 | Very low | 132 Ų | 132 | 126 Ų | 126 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | -169 | 145.9 | -74.9 | 27.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 764 | S | 35 | Very low | 34.1 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | 66.1 | 158.2 | 167.5 | -54.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 765 | G | 31.5 | Very low | 33.9 | Very low | 68 Ų | 68 | 130.7 Ų | 130.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | 168.6 | 157.4 | -13.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 766 | L | 32.7 | Very low | 33.9 | Very low | 168 Ų | 168 | 127 Ų | 127 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | trans | 81.9 | 146.2 | 155 | -56.9 | 177.1 | 0 | 0 | 0 | 124 | ||||
| 767 | T | 32 | Very low | 33.7 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | trans | 76.1 | 99 | 144 | 38.9 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 768 | Q | 32.8 | Very low | 33.9 | Very low | 192 Ų | 192 | 129 Ų | 129 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | 70.6 | 153.4 | 118.2 | -65 | -172.7 | 31.3 | 0 | 0 | 124.5 | |||||
| 769 | R | 30.5 | Very low | 33.9 | Very low | 232 Ų | 232 | 131.3 Ų | 131.3 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | trans | -88.1 | -178 | 178.3 | -132.2 | 178.5 | 154.8 | -142.3 | -3.3 | 109.8 | ||||
| 770 | P | 35.7 | Very low | 33.7 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -142.5 | -171.6 | 0.4 | 44.2 | -25 | 0 | 0 | 0 | 117.1 | ||||
| 771 | G | 32.6 | Very low | 33.4 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 136.2 | 104.3 | 138.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 772 | I | 30.6 | Very low | 33.5 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | 39.5 | 150.5 | 137.6 | 25.7 | 172.7 | 0 | 0 | 0 | 126.5 | ||||
| 773 | S | 33.2 | Very low | 34 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 71.9 | 158.7 | 157 | 30.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 774 | S | 30.8 | Very low | 33.9 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | cis | -176.3 | 168.3 | -36.6 | -156.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 775 | I | 31.9 | Very low | 33.9 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | 71.8 | 153.1 | 163.5 | -56 | 156.6 | 0 | 0 | 0 | 116.4 | ||||
| 776 | A | 34.5 | Very low | 34.2 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | cis | -169.8 | 145.7 | -42 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 777 | D | 33.6 | Very low | 34.3 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 59.3 | -172.5 | 148.2 | -47.4 | -30 | 0 | 0 | 0 | 121 | ||||
| 778 | P | 39.1 | Very low | 34.7 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | -138.1 | -145.4 | -105.1 | 44.6 | -22.9 | 0 | 0 | 0 | 116.2 | |||||
| 779 | V | 34 | Very low | 35 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 82.8 | 129.7 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 780 | S | 29.5 | Very low | 35.4 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | 111.7 | 103.2 | 8.8 | -170.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 781 | V | 37 | Very low | 36 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | -155 | 168.4 | 160.6 | -109.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 782 | N | 34.7 | Very low | 36.8 | Very low | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -132.3 | -147.8 | -156.7 | -151.5 | 11 | 0 | 0 | 0 | 112.7 | ||||
| 783 | P | 46.2 | Very low | 37.8 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | -111.2 | -169.4 | -94.8 | 27 | -7 | 0 | 0 | 0 | 116.4 | |||||
| 784 | T | 34.7 | Very low | 38.4 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | 100.6 | 106.8 | 152 | 68.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 785 | S | 35.3 | Very low | 39.3 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | -168.3 | 103 | 106.2 | -167.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 786 | T | 37.1 | Very low | 40.3 | Very low | 107 Ų | 107 | 117.2 Ų | 117.2 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | 78.8 | 104.7 | 94.8 | -22.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 787 | T | 35.4 | Very low | 41.2 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | trans | 59.9 | 152.2 | 152.4 | 51.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 788 | V | 40.2 | Very low | 42.1 | Very low | 140 Ų | 140 | 114.7 Ų | 114.7 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | cis | -135.4 | 175.5 | 15.6 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 789 | A | 38.9 | Very low | 42.6 | Very low | 91 Ų | 91 | 112.2 Ų | 112.2 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | trans | 85.4 | 60.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 790 | N | 38.5 | Very low | 43.4 | Very low | 149 Ų | 149 | 107.9 Ų | 107.9 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | trans | -94.4 | 122.8 | 165.8 | -82.2 | -36.6 | 0 | 0 | 0 | 112.6 | ||||
| 791 | T | 48.5 | Very low | 44.4 | Very low | 120 Ų | 120 | 105.3 Ų | 105.3 | 74% | 0.736 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -156.2 | -49.5 | 155.9 | 27.1 | 0 | 0 | 0 | 0 | 111.8 | I793 | T791-I793 PolarHBondContact O-N 3.35Š|
| 792 | N | 50 | Low | 45.2 | Very low | 135 Ų | 135 | 103.7 Ų | 103.7 | 72% | 0.722 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -13.7 | -165.7 | -67.8 | -22.9 | 0 | 0 | 0 | 116.3 | ||
| 793 | I | 50.2 | Low | 46.1 | Very low | 117 Ų | 117 | 99.1 Ų | 99.1 | 60% | 0.6 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -81.8 | -29.5 | -172.9 | -62.1 | 176.8 | 0 | 0 | 0 | 112.4 | T791 A795 V796 M797 | T791-I793 PolarHBondContact O-N 3.35Å; I793-A795 PolarHBondContact O-N 3.33Å; I793-V796 PolarHBondContact O-N 2.9Å; I793-M797 HydrophobicContact CG2-CG 4.24Å; I793-M797 PolarHBondContact O-N 3.43Å; I793-M797 VanDerWaalsContact O-N 3.11Å |
| 794 | A | 46.8 | Very low | 46.4 | Very low | 75 Ų | 75 | 101.9 Ų | 101.9 | 62% | 0.62 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.9 | -41.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V796 M797 A798 | A794-V796 PolarHBondContact O-N 3.44Å; A794-M797 PolarHBondContact O-N 2.94Å; A794-A798 WeakPolarHBondContact O-CB 3.13Å; A794-A798 PolarHBondContact O-N 2.83Å |
| 795 | A | 48.6 | Very low | 47.2 | Very low | 71 Ų | 71 | 101.6 Ų | 101.6 | 59% | 0.587 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.1 | -39 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | I793 A798 A799 | I793-A795 PolarHBondContact O-N 3.33Å; A795-A798 PolarHBondContact O-N 3.08Å; A795-A799 PolarHBondContact O-N 2.98Å; A795-A799 VanDerWaalsContact O-N 3.08Å |
| 796 | V | 53.4 | Low | 47.7 | Very low | 101 Ų | 101 | 104 Ų | 104 | 61% | 0.612 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.6 | -39.3 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | I793 A794 A799 A800 | I793-V796 PolarHBondContact O-N 2.9Å; A794-V796 PolarHBondContact O-N 3.44Å; V796-A799 PolarHBondContact O-N 2.95Å; V796-A800 WeakPolarHBondContact O-CB 3.27Å; V796-A800 PolarHBondContact O-N 3.48Å |
| 797 | M | 52.8 | Low | 48.4 | Very low | 119 Ų | 119 | 105.2 Ų | 105.2 | 59% | 0.586 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.3 | -34.7 | 175.7 | -69.2 | -67.8 | -90.5 | 0 | 0 | 112.5 | I793 A794 A800 A801 | I793-M797 HydrophobicContact CG2-CG 4.24Å; I793-M797 PolarHBondContact O-N 3.43Å; I793-M797 VanDerWaalsContact O-N 3.11Å; A794-M797 PolarHBondContact O-N 2.94Å; M797-A800 CarbonylContact O-C 3.31Å; M797-A800 PolarHBondContact O-N 3.4Å; M797-A801 PolarHBondContact O-N 2.72Å |
| 798 | A | 52.7 | Low | 49.2 | Very low | 54 Ų | 54 | 105.4 Ų | 105.4 | 45% | 0.446 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.7 | -44.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A794 A795 A800 A801 L802 | A794-A798 WeakPolarHBondContact O-CB 3.13Å; A794-A798 PolarHBondContact O-N 2.83Å; A795-A798 PolarHBondContact O-N 3.08Å; A798-A800 VanDerWaalsContact C-N 3.29Å; A798-A800 PolarHBondContact O-N 3.44Å; A798-A801 WeakPolarHBondContact O-CB 3.14Å; A798-A801 PolarHBondContact O-N 3.44Å; A798-L802 PolarHBondContact O-N 2.87Å; A798-L802 VanDerWaalsContact O-N 3.1Å |
| 799 | A | 50.1 | Low | 49.5 | Very low | 65 Ų | 65 | 103 Ų | 103 | 54% | 0.537 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60 | -40.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A795 V796 A801 G803 | A795-A799 PolarHBondContact O-N 2.98Å; A795-A799 VanDerWaalsContact O-N 3.08Å; V796-A799 PolarHBondContact O-N 2.95Å; A799-A801 VanDerWaalsContact C-N 3.25Å; A799-A801 PolarHBondContact O-N 3.02Å; A799-G803 PolarHBondContact O-N 2.84Å; A799-G803 VanDerWaalsContact O-N 3.15Å |
| 800 | A | 50.5 | Low | 49.9 | Very low | 41 Ų | 41 | 105 Ų | 105 | 34% | 0.339 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.4 | -9.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V796 M797 A798 R804 | V796-A800 WeakPolarHBondContact O-CB 3.27Å; V796-A800 PolarHBondContact O-N 3.48Å; M797-A800 CarbonylContact O-C 3.31Å; M797-A800 PolarHBondContact O-N 3.4Å; A798-A800 VanDerWaalsContact C-N 3.29Å; A798-A800 PolarHBondContact O-N 3.44Å; A800-R804 PolarHBondContact O-NE 2.89Å; A800-R804 PolarHBondContact O-NH2 3.46Å |
| 801 | A | 51.3 | Low | 50.4 | Low | 50 Ų | 50 | 105.1 Ų | 105.1 | 41% | 0.413 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -88.2 | -45.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | M797 A798 A799 G803 R804 Q805 | M797-A801 PolarHBondContact O-N 2.72Å; A798-A801 WeakPolarHBondContact O-CB 3.14Å; A798-A801 PolarHBondContact O-N 3.44Å; A799-A801 VanDerWaalsContact C-N 3.25Å; A799-A801 PolarHBondContact O-N 3.02Å; A801-G803 VanDerWaalsContact C-N 3.3Å; A801-G803 PolarHBondContact O-N 3.29Å; A801-R804 WeakPolarHBondContact O-CA 3.36Å; A801-R804 PolarHBondContact O-N 3.46Å; A801-Q805 PolarHBondContact O-N 3.4Å; A801-Q805 VanDerWaalsContact O-N 3.09Å |
| 802 | L | 54.1 | Low | 50.1 | Low | 122 Ų | 122 | 105.2 Ų | 105.2 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.5 | -39.5 | 175.1 | -66.3 | 173 | 0 | 0 | 0 | 111.8 | A798 R804 Q805 F806 | A798-L802 PolarHBondContact O-N 2.87Å; A798-L802 VanDerWaalsContact O-N 3.1Å; L802-R804 PolarHBondContact O-N 3.44Å; L802-Q805 PolarHBondContact O-N 2.94Å; L802-F806 PolarHBondContact O-N 2.94Å |
| 803 | G | 51.9 | Low | 49.7 | Very low | 53 Ų | 53 | 107.2 Ų | 107.2 | 55% | 0.546 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -20 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A799 A801 | A799-G803 PolarHBondContact O-N 2.84Å; A799-G803 VanDerWaalsContact O-N 3.15Å; A801-G803 VanDerWaalsContact C-N 3.3Å; A801-G803 PolarHBondContact O-N 3.29Å |
| 804 | R | 54.1 | Low | 49.5 | Very low | 151 Ų | 151 | 106 Ų | 106 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -90.8 | -36.2 | 176.4 | -86.7 | 179 | -83.2 | -158.3 | -2.1 | 113.1 | A800 A801 L802 F806 H807 Q808 | A800-R804 PolarHBondContact O-NE 2.89Å; A800-R804 PolarHBondContact O-NH2 3.46Å; A801-R804 WeakPolarHBondContact O-CA 3.36Å; A801-R804 PolarHBondContact O-N 3.46Å; L802-R804 PolarHBondContact O-N 3.44Å; R804-F806 VanDerWaalsContact C-N 3.33Å; R804-F806 PolarHBondContact O-N 3.31Å; R804-H807 PolarHBondContact O-N 3.48Å; R804-H807 VanDerWaalsContact O-N 3.1Å; R804-Q808 PolarHBondContact O-N 2.94Å |
| 805 | Q | 51.2 | Low | 49.3 | Very low | 127 Ų | 127 | 109.2 Ų | 109.2 | 59% | 0.593 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.5 | -41.2 | 173.8 | -75.8 | -163.5 | -36.5 | 0 | 0 | 112.1 | A801 L802 H807 Q808 T809 | A801-Q805 PolarHBondContact O-N 3.4Å; A801-Q805 VanDerWaalsContact O-N 3.09Å; L802-Q805 PolarHBondContact O-N 2.94Å; Q805-H807 PolarHBondContact O-N 3.26Å; Q805-H807 VanDerWaalsContact O-N 3.15Å; Q805-Q808 PolarHBondContact O-N 3.37Å; Q805-Q808 VanDerWaalsContact O-N 3.16Å; Q805-T809 PolarHBondContact O-N 2.97Å; Q805-T809 PolarHBondContact O-OG1 3.45Å |
| 806 | F | 46.4 | Very low | 49.1 | Very low | 162 Ų | 162 | 111 Ų | 111 | 71% | 0.711 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.2 | -28 | 176.1 | -151.2 | -91.4 | 0 | 0 | 0 | 113 | L802 R804 | L802-F806 PolarHBondContact O-N 2.94Å; R804-F806 VanDerWaalsContact C-N 3.33Å; R804-F806 PolarHBondContact O-N 3.31Å |
| 807 | H | 51.4 | Low | 48.6 | Very low | 133 Ų | 133 | 110.4 Ų | 110.4 | 62% | 0.616 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -85.5 | -29 | 178.3 | -143.7 | -32 | 0 | 0 | 0 | 113.4 | R804 Q805 | R804-H807 PolarHBondContact O-N 3.48Å; R804-H807 VanDerWaalsContact O-N 3.1Å; Q805-H807 PolarHBondContact O-N 3.26Å; Q805-H807 VanDerWaalsContact O-N 3.15Å |
| 808 | Q | 50.6 | Low | 48.1 | Very low | 137 Ų | 137 | 107.2 Ų | 107.2 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.1 | -40.3 | 172.3 | -76.7 | -179.7 | -54.3 | 0 | 0 | 112 | R804 Q805 Q810 Q811 Q812 | R804-Q808 PolarHBondContact O-N 2.94Å; Q805-Q808 PolarHBondContact O-N 3.37Å; Q805-Q808 VanDerWaalsContact O-N 3.16Å; Q808-Q810 PolarHBondContact O-N 2.92Å; Q808-Q811 PolarHBondContact O-N 3.41Å; Q808-Q812 PolarHBondContact O-N 3.12Å |
| 809 | T | 47.1 | Very low | 47.5 | Very low | 89 Ų | 89 | 114.9 Ų | 114.9 | 55% | 0.546 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.4 | -33.5 | 176.5 | -48.5 | 0 | 0 | 0 | 0 | 112.1 | Q805 Q811 | Q805-T809 PolarHBondContact O-N 2.97Å; Q805-T809 PolarHBondContact O-OG1 3.45Å; T809-Q811 VanDerWaalsContact C-N 3.3Å; T809-Q811 PolarHBondContact O-N 2.97Å |
| 810 | Q | 48 | Very low | 47.3 | Very low | 135 Ų | 135 | 116 Ų | 116 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.9 | -25.2 | 172.8 | -77.1 | -76.8 | -46.1 | 0 | 0 | 113.8 | Q808 | Q808-Q810 PolarHBondContact O-N 2.92Å |
| 811 | Q | 47.8 | Very low | 46.9 | Very low | 151 Ų | 151 | 118 Ų | 118 | 71% | 0.706 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -91 | -12.4 | -179.9 | -72.1 | -157.2 | -10.3 | 0 | 0 | 115 | Q808 T809 P814 | Q808-Q811 PolarHBondContact O-N 3.41Å; T809-Q811 VanDerWaalsContact C-N 3.3Å; T809-Q811 PolarHBondContact O-N 2.97Å; Q811-P814 WeakPolarHBondContact O-CD 3.31Å |
| 812 | Q | 43.1 | Very low | 46.7 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -80.3 | -23.7 | 170.8 | -72.8 | -168.5 | -62.6 | 0 | 0 | 113.3 | Q808 P814 Q815 I816 | Q808-Q812 PolarHBondContact O-N 3.12Å; Q812-P814 VanDerWaalsContact C-CD 3.49Å; Q812-Q815 PolarHBondContact O-N 3.16Å; Q812-I816 HydrophobicContact CB-CD1 4.06Å; Q812-I816 PolarHBondContact O-N 3.19Å; Q812-I816 VanDerWaalsContact O-N 3.16Å |
| 813 | Y | 41.7 | Very low | 46.4 | Very low | 177 Ų | 177 | 123 Ų | 123 | 69% | 0.694 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.6 | -28.3 | -174.4 | -125.4 | -91.3 | 0 | 0 | 0 | 116 | V817 | Y813-V817 WeakPolarHBondContact O-CG2 3.3Å |
| 814 | P | 46.5 | Very low | 46.1 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 60% | 0.597 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.5 | -29.1 | 170.4 | -19.1 | 33.5 | 0 | 0 | 0 | 114.3 | Q811 Q812 | Q811-P814 WeakPolarHBondContact O-CD 3.31Å; Q812-P814 VanDerWaalsContact C-CD 3.49Å |
| 815 | Q | 41.1 | Very low | 45.7 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 66% | 0.659 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -84.8 | -36.5 | -173.2 | -72.2 | -70.2 | 1.6 | 0 | 0 | 112.9 | Q812 V817 A818 Y819 | Q812-Q815 PolarHBondContact O-N 3.16Å; Q815-V817 PolarHBondContact O-N 2.97Å; Q815-A818 WeakPolarHBondContact O-CB 3.48Å; Q815-A818 PolarHBondContact O-N 3.11Å; Q815-A818 VanDerWaalsContact O-N 3.14Å; Q815-Y819 PolarHBondContact O-N 2.97Å |
| 816 | I | 44.6 | Very low | 45.7 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 56% | 0.559 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.1 | -26.5 | 178.9 | -64.5 | 171.8 | 0 | 0 | 0 | 111.5 | Q812 S820 | Q812-I816 HydrophobicContact CB-CD1 4.06Å; Q812-I816 PolarHBondContact O-N 3.19Å; Q812-I816 VanDerWaalsContact O-N 3.16Å; I816-S820 PolarHBondContact O-OG 3.22Å |
| 817 | V | 44.2 | Very low | 46.4 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 54% | 0.539 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -77.4 | -29.1 | 174.4 | -178 | 0 | 0 | 0 | 0 | 112.2 | Y813 Q815 S820 | Y813-V817 WeakPolarHBondContact O-CG2 3.3Å; Q815-V817 PolarHBondContact O-N 2.97Å; V817-S820 PolarHBondContact O-OG 3.14Å |
| 818 | A | 41.4 | Very low | 47.1 | Very low | 52 Ų | 52 | 123.5 Ų | 123.5 | 43% | 0.43 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68 | -39.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q815 S820 A821 | Q815-A818 WeakPolarHBondContact O-CB 3.48Å; Q815-A818 PolarHBondContact O-N 3.11Å; Q815-A818 VanDerWaalsContact O-N 3.14Å; A818-S820 VanDerWaalsContact C-N 3.29Å; A818-S820 PolarHBondContact O-N 3.3Å; A818-A821 PolarHBondContact O-N 2.93Å |
| 819 | Y | 41.5 | Very low | 48 | Very low | 215 Ų | 215 | 120.6 Ų | 120.6 | 84% | 0.843 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.4 | -20.1 | -177.4 | -141.4 | -93.5 | 0 | 0 | 0 | 114 | Q815 | Q815-Y819 PolarHBondContact O-N 2.97Å |
| 820 | S | 44.9 | Very low | 49.3 | Very low | 89 Ų | 89 | 119 Ų | 119 | 62% | 0.622 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -94.1 | -11.3 | 178.8 | 39.9 | 0 | 0 | 0 | 0 | 113.8 | I816 V817 A818 | I816-S820 PolarHBondContact O-OG 3.22Å; V817-S820 PolarHBondContact O-OG 3.14Å; A818-S820 VanDerWaalsContact C-N 3.29Å; A818-S820 PolarHBondContact O-N 3.3Å |
| 821 | A | 41.9 | Very low | 50.7 | Low | 81 Ų | 81 | 119 Ų | 119 | 67% | 0.669 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -84.2 | -8.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A818 | A818-A821 PolarHBondContact O-N 2.93Š|
| 822 | S | 47.8 | Very low | 52.1 | Low | 100 Ų | 100 | 116.2 Ų | 116.2 | 70% | 0.699 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -86.3 | -8.4 | -168.3 | -57.6 | 0 | 0 | 0 | 0 | 116 | ||
| 823 | Q | 47.3 | Very low | 53.8 | Low | 178 Ų | 178 | 115.9 Ų | 115.9 | 83% | 0.832 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -145.3 | 85.1 | 178.7 | -69.8 | -163.3 | 58 | 0 | 0 | 113.2 | ||
| 824 | Q | 44.7 | Very low | 56 | Low | 182 Ų | 182 | 113.2 Ų | 113.2 | 85% | 0.85 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -177.9 | 128.6 | 139.1 | -101.5 | 163.4 | 26.5 | 0 | 0 | 113.5 | ||
| 825 | I | 46.1 | Very low | 57.7 | Low | 115 Ų | 115 | 113.4 Ų | 113.4 | 59% | 0.59 | 62% | 0.615 | S | S | * | * | trans | 55 | 100.9 | 151.2 | -47.2 | 173.3 | 0 | 0 | 0 | 117.6 | N827 | I825-N827 HydrophobicContact CG2-CB 3.96Å; I825-N827 PolarHBondContact O-N 2.98Å | ||
| 826 | P | 52.1 | Low | 59.7 | Low | 128 Ų | 128 | 111.8 Ų | 111.8 | 83% | 0.831 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -1.5 | -179.6 | 29.5 | -36.1 | 0 | 0 | 0 | 115.9 | ||
| 827 | N | 60 | Low | 61.6 | Low | 120 Ų | 120 | 115.5 Ų | 115.5 | 64% | 0.642 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.5 | -27.5 | -170.2 | -153.2 | 0.7 | 0 | 0 | 0 | 113.9 | I825 S829 A830 F831 | I825-N827 HydrophobicContact CG2-CB 3.96Å; I825-N827 PolarHBondContact O-N 2.98Å; N827-S829 PolarHBondContact O-N 3.29Å; N827-A830 PolarHBondContact O-N 2.93Å; N827-F831 PolarHBondContact O-N 2.71Å |
| 828 | V | 67.6 | Low | 63.5 | Low | 92 Ų | 92 | 116 Ų | 116 | 56% | 0.558 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.4 | -37.4 | -174.2 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | A830 F831 I832 | V828-A830 PolarHBondContact O-N 3.39Å; V828-F831 PolarHBondContact O-N 2.81Å; V828-I832 HydrophobicContact CG1-CD1 4.09Å; V828-I832 WeakPolarHBondContact O-CG1 3.42Å; V828-I832 PolarHBondContact O-N 2.69Å; V828-I832 VanDerWaalsContact O-N 3.12Å |
| 829 | S | 69.5 | Low | 65.3 | Low | 75 Ų | 75 | 118.6 Ų | 118.6 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.3 | -40.7 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | N827 F831 I832 H833 | N827-S829 PolarHBondContact O-N 3.29Å; S829-F831 PolarHBondContact O-N 2.93Å; S829-I832 PolarHBondContact O-N 3.16Å; S829-H833 PolarHBondContact O-N 3.25Å |
| 830 | A | 74 | Confident | 67.2 | Low | 55 Ų | 55 | 113.3 Ų | 113.3 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.5 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N827 V828 H833 Q834 | N827-A830 PolarHBondContact O-N 2.93Å; V828-A830 PolarHBondContact O-N 3.39Å; A830-H833 PolarHBondContact O-N 2.92Å; A830-Q834 WeakPolarHBondContact O-CB 3.43Å; A830-Q834 PolarHBondContact O-N 3.33Å |
| 831 | F | 77.9 | Confident | 68.8 | Low | 135 Ų | 135 | 115.2 Ų | 115.2 | 59% | 0.592 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.4 | -44.6 | 176.9 | -172.6 | -96.5 | 0 | 0 | 0 | 112.4 | N827 V828 S829 H833 Q834 Q835 | N827-F831 PolarHBondContact O-N 2.71Å; V828-F831 PolarHBondContact O-N 2.81Å; S829-F831 PolarHBondContact O-N 2.93Å; F831-H833 PolarHBondContact O-N 3.42Å; F831-Q834 PolarHBondContact O-N 3.09Å; F831-Q835 PolarHBondContact O-N 3.22Å |
| 832 | I | 77.1 | Confident | 70.5 | Confident | 93 Ų | 93 | 117 Ų | 117 | 48% | 0.477 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.2 | -46.1 | 176.4 | -67.3 | 168 | 0 | 0 | 0 | 110.8 | V828 S829 Q834 Q835 Q836 | V828-I832 HydrophobicContact CG1-CD1 4.09Å; V828-I832 WeakPolarHBondContact O-CG1 3.42Å; V828-I832 PolarHBondContact O-N 2.69Å; V828-I832 VanDerWaalsContact O-N 3.12Å; S829-I832 PolarHBondContact O-N 3.16Å; I832-Q834 VanDerWaalsContact C-N 3.33Å; I832-Q834 PolarHBondContact O-N 3.24Å; I832-Q835 PolarHBondContact O-N 2.94Å; I832-Q836 WeakPolarHBondContact O-CB 3.47Å; I832-Q836 PolarHBondContact O-N 3.11Å |
| 833 | H | 79.1 | Confident | 71.5 | Confident | 116 Ų | 116 | 117 Ų | 117 | 54% | 0.537 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.7 | -35.4 | 176 | -89.6 | -65.9 | 0 | 0 | 0 | 113.2 | S829 A830 F831 R837 | S829-H833 PolarHBondContact O-N 3.25Å; A830-H833 PolarHBondContact O-N 2.92Å; F831-H833 PolarHBondContact O-N 3.42Å; H833-R837 WeakPolarHBondContact O-CG 3.37Å; H833-R837 PolarHBondContact O-N 3.4Å |
| 834 | Q | 85.9 | Confident | 72.9 | Confident | 121 Ų | 121 | 114.3 Ų | 114.3 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.9 | -46.2 | 176.1 | -178.2 | 167 | -17.7 | 0 | 0 | 111.8 | A830 F831 I832 Q836 R837 Q838 | A830-Q834 WeakPolarHBondContact O-CB 3.43Å; A830-Q834 PolarHBondContact O-N 3.33Å; F831-Q834 PolarHBondContact O-N 3.09Å; I832-Q834 VanDerWaalsContact C-N 3.33Å; I832-Q834 PolarHBondContact O-N 3.24Å; Q834-Q836 VanDerWaalsContact C-N 3.31Å; Q834-Q836 PolarHBondContact O-N 2.77Å; Q834-R837 PolarHBondContact O-N 3.07Å; Q834-Q838 PolarHBondContact O-N 3.35Å |
| 835 | Q | 83.5 | Confident | 74.3 | Confident | 96 Ų | 96 | 111.5 Ų | 111.5 | 45% | 0.449 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.8 | -40.7 | 175.3 | -171.8 | 177.9 | 55 | 0 | 0 | 111.5 | F831 I832 R837 Q838 Q839 | F831-Q835 PolarHBondContact O-N 3.22Å; I832-Q835 PolarHBondContact O-N 2.94Å; Q835-R837 PolarHBondContact O-N 3.22Å; Q835-Q838 PolarHBondContact O-N 3.24Å; Q835-Q839 PolarHBondContact O-N 3.31Å; Q835-Q839 VanDerWaalsContact O-N 3.07Å |
| 836 | Q | 83 | Confident | 75.3 | Confident | 107 Ų | 107 | 109.6 Ų | 109.6 | 50% | 0.5 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.3 | -33.6 | 177.1 | -162.6 | 173.2 | 40.2 | 0 | 0 | 112.5 | I832 Q834 L840 | I832-Q836 WeakPolarHBondContact O-CB 3.47Å; I832-Q836 PolarHBondContact O-N 3.11Å; Q834-Q836 VanDerWaalsContact C-N 3.31Å; Q834-Q836 PolarHBondContact O-N 2.77Å; Q836-L840 WeakPolarHBondContact O-CG 3.43Å; Q836-L840 PolarHBondContact O-N 3.4Å |
| 837 | R | 84.4 | Confident | 75.9 | Confident | 187 Ų | 187 | 109.4 Ų | 109.4 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.2 | -36.8 | 171.5 | -74.3 | -144.2 | -66.7 | 179.8 | -2.2 | 113 | H833 Q834 Q835 L840 Q841 | H833-R837 WeakPolarHBondContact O-CG 3.37Å; H833-R837 PolarHBondContact O-N 3.4Å; Q834-R837 PolarHBondContact O-N 3.07Å; Q835-R837 PolarHBondContact O-N 3.22Å; R837-L840 PolarHBondContact O-N 3.45Å; R837-Q841 PolarHBondContact O-N 3.12Å; R837-Q841 VanDerWaalsContact O-N 3.08Å |
| 838 | Q | 83.6 | Confident | 76.3 | Confident | 100 Ų | 100 | 109.4 Ų | 109.4 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -49.5 | 174.7 | -73.2 | 172.9 | -31.7 | 0 | 0 | 111.1 | Q834 Q835 L840 Q841 E842 | Q834-Q838 PolarHBondContact O-N 3.35Å; Q835-Q838 PolarHBondContact O-N 3.24Å; Q838-L840 PolarHBondContact O-N 3.23Å; Q838-Q841 PolarHBondContact O-N 3.19Å; Q838-E842 PolarHBondContact O-N 3.19Å |
| 839 | Q | 79.7 | Confident | 76.1 | Confident | 105 Ų | 105 | 108.6 Ų | 108.6 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59 | -34 | 176.2 | -70.5 | -178.8 | -1.2 | 0 | 0 | 113.1 | Q835 N843 | Q835-Q839 PolarHBondContact O-N 3.31Å; Q835-Q839 VanDerWaalsContact O-N 3.07Å; Q839-N843 WeakPolarHBondContact O-CB 3.48Å; Q839-N843 PolarHBondContact O-N 2.87Å; Q839-N843 VanDerWaalsContact O-N 3.14Å; Q839-N843 PolarHBondContact O-ND2 2.72Å |
| 840 | L | 80.8 | Confident | 75.7 | Confident | 104 Ų | 104 | 106.9 Ų | 106.9 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.8 | -31.8 | 174.9 | -76.1 | 167.4 | 0 | 0 | 0 | 113.1 | Q836 R837 Q838 Q844 | Q836-L840 WeakPolarHBondContact O-CG 3.43Å; Q836-L840 PolarHBondContact O-N 3.4Å; R837-L840 PolarHBondContact O-N 3.45Å; Q838-L840 PolarHBondContact O-N 3.23Å; L840-Q844 WeakPolarHBondContact O-CG 3.43Å; L840-Q844 PolarHBondContact O-N 3.07Å; L840-Q844 PolarHBondContact O-NE2 3.42Å |
| 841 | Q | 79.4 | Confident | 75.4 | Confident | 130 Ų | 130 | 110 Ų | 110 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.7 | -46.7 | 174.5 | -73.1 | 179.5 | -45.8 | 0 | 0 | 111.4 | R837 Q838 N843 Q844 Q845 | R837-Q841 PolarHBondContact O-N 3.12Å; R837-Q841 VanDerWaalsContact O-N 3.08Å; Q838-Q841 PolarHBondContact O-N 3.19Å; Q841-N843 VanDerWaalsContact C-N 3.29Å; Q841-N843 PolarHBondContact O-N 3.33Å; Q841-Q844 PolarHBondContact O-N 2.9Å; Q841-Q844 VanDerWaalsContact O-N 3.11Å; Q841-Q845 PolarHBondContact O-N 3.01Å |
| 842 | E | 76.9 | Confident | 75.1 | Confident | 119 Ų | 119 | 108.7 Ų | 108.7 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.8 | -39.6 | 177.4 | -68.3 | 177.1 | 145.4 | 0 | 0 | 112.1 | Q838 S846 | Q838-E842 PolarHBondContact O-N 3.19Å; E842-S846 VanDerWaalsContact O-CB 3.26Å; E842-S846 WeakPolarHBondContact O-CB 3.35Å; E842-S846 PolarHBondContact O-N 3.39Å; E842-S846 PolarHBondContact O-OG 2.89Å |
| 843 | N | 69.2 | Low | 74.7 | Confident | 98 Ų | 98 | 111 Ų | 111 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 175.8 | -88.7 | -84.5 | 0 | 0 | 0 | 113.4 | Q839 Q841 Q847 | Q839-N843 WeakPolarHBondContact O-CB 3.48Å; Q839-N843 PolarHBondContact O-N 2.87Å; Q839-N843 VanDerWaalsContact O-N 3.14Å; Q839-N843 PolarHBondContact O-ND2 2.72Å; Q841-N843 VanDerWaalsContact C-N 3.29Å; Q841-N843 PolarHBondContact O-N 3.33Å; N843-Q847 WeakPolarHBondContact O-CG 3.42Å; N843-Q847 PolarHBondContact O-N 3.4Å |
| 844 | Q | 76.4 | Confident | 74 | Confident | 122 Ų | 122 | 109.1 Ų | 109.1 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.8 | -48.8 | 175.7 | -77.6 | 169 | 96 | 0 | 0 | 110.5 | L840 Q841 S846 Q847 E848 | L840-Q844 WeakPolarHBondContact O-CG 3.43Å; L840-Q844 PolarHBondContact O-N 3.07Å; L840-Q844 PolarHBondContact O-NE2 3.42Å; Q841-Q844 PolarHBondContact O-N 2.9Å; Q841-Q844 VanDerWaalsContact O-N 3.11Å; Q844-S846 VanDerWaalsContact C-N 3.27Å; Q844-S846 PolarHBondContact O-N 2.92Å; Q844-Q847 WeakPolarHBondContact O-CA 3.36Å; Q844-Q847 WeakPolarHBondContact O-CB 3.41Å; Q844-Q847 PolarHBondContact O-N 3.41Å; Q844-E848 PolarHBondContact O-N 3.29Å |
| 845 | Q | 75 | Confident | 73.5 | Confident | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.2 | -33.6 | 180 | -154 | 169.1 | 26.8 | 0 | 0 | 112.2 | Q841 T849 | Q841-Q845 PolarHBondContact O-N 3.01Å; Q845-T849 WeakPolarHBondContact O-CG2 3.45Å; Q845-T849 PolarHBondContact O-N 3.43Å; Q845-T849 PolarHBondContact O-OG1 2.93Å |
| 846 | S | 65.6 | Low | 73 | Confident | 75 Ų | 75 | 111.6 Ų | 111.6 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -33.4 | 171.5 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | E842 Q844 T849 G850 | E842-S846 VanDerWaalsContact O-CB 3.26Å; E842-S846 WeakPolarHBondContact O-CB 3.35Å; E842-S846 PolarHBondContact O-N 3.39Å; E842-S846 PolarHBondContact O-OG 2.89Å; Q844-S846 VanDerWaalsContact C-N 3.27Å; Q844-S846 PolarHBondContact O-N 2.92Å; S846-T849 WeakPolarHBondContact CA-OG1 3.45Å; S846-T849 PolarHBondContact O-OG1 2.98Å; S846-G850 PolarHBondContact O-N 3.22Å; S846-G850 VanDerWaalsContact O-N 3.14Å |
| 847 | Q | 65.4 | Low | 72.4 | Confident | 125 Ų | 125 | 113.2 Ų | 113.2 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74.1 | -39.8 | 174.7 | -74.3 | -178.6 | 33.3 | 0 | 0 | 112.1 | N843 Q844 G850 Q851 | N843-Q847 WeakPolarHBondContact O-CG 3.42Å; N843-Q847 PolarHBondContact O-N 3.4Å; Q844-Q847 WeakPolarHBondContact O-CA 3.36Å; Q844-Q847 WeakPolarHBondContact O-CB 3.41Å; Q844-Q847 PolarHBondContact O-N 3.41Å; Q847-G850 PolarHBondContact O-N 2.88Å; Q847-Q851 WeakPolarHBondContact O-CG 3.43Å; Q847-Q851 PolarHBondContact O-N 2.92Å |
| 848 | E | 68.9 | Low | 71.8 | Confident | 120 Ų | 120 | 107.2 Ų | 107.2 | 56% | 0.561 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.8 | -48.2 | 177.1 | -68.6 | -178.1 | 146.1 | 0 | 0 | 111.7 | Q844 G850 Q851 Q852 | Q844-E848 PolarHBondContact O-N 3.29Å; E848-G850 VanDerWaalsContact C-N 3.35Å; E848-G850 PolarHBondContact O-N 3.39Å; E848-Q851 PolarHBondContact O-N 3.02Å; E848-Q852 WeakPolarHBondContact O-CG 3.34Å; E848-Q852 PolarHBondContact O-N 2.92Å |
| 849 | T | 62.2 | Low | 71.2 | Confident | 75 Ų | 75 | 109.4 Ų | 109.4 | 46% | 0.46 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.3 | -41.9 | 175.6 | 48.4 | 0 | 0 | 0 | 0 | 111.9 | Q845 S846 Q851 Q852 Q853 | Q845-T849 WeakPolarHBondContact O-CG2 3.45Å; Q845-T849 PolarHBondContact O-N 3.43Å; Q845-T849 PolarHBondContact O-OG1 2.93Å; S846-T849 WeakPolarHBondContact CA-OG1 3.45Å; S846-T849 PolarHBondContact O-OG1 2.98Å; T849-Q851 VanDerWaalsContact C-N 3.34Å; T849-Q851 PolarHBondContact O-N 3.45Å; T849-Q852 PolarHBondContact O-N 3.43Å; T849-Q853 WeakPolarHBondContact O-CB 3.45Å; T849-Q853 PolarHBondContact O-N 3.3Å |
| 850 | G | 62.3 | Low | 71 | Confident | 39 Ų | 39 | 110.3 Ų | 110.3 | 40% | 0.402 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.4 | -37.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S846 Q847 E848 S854 | S846-G850 PolarHBondContact O-N 3.22Å; S846-G850 VanDerWaalsContact O-N 3.14Å; Q847-G850 PolarHBondContact O-N 2.88Å; E848-G850 VanDerWaalsContact C-N 3.35Å; E848-G850 PolarHBondContact O-N 3.39Å; G850-S854 WeakPolarHBondContact O-CB 3.47Å; G850-S854 PolarHBondContact O-N 3.02Å; G850-S854 VanDerWaalsContact O-N 3.09Å |
| 851 | Q | 67.1 | Low | 70.7 | Confident | 121 Ų | 121 | 109.5 Ų | 109.5 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.8 | -45.4 | 174.8 | -74.8 | -178.6 | 52.6 | 0 | 0 | 112 | Q847 E848 T849 Q853 S854 Q855 | Q847-Q851 WeakPolarHBondContact O-CG 3.43Å; Q847-Q851 PolarHBondContact O-N 2.92Å; E848-Q851 PolarHBondContact O-N 3.02Å; T849-Q851 VanDerWaalsContact C-N 3.34Å; T849-Q851 PolarHBondContact O-N 3.45Å; Q851-Q853 PolarHBondContact O-N 3.2Å; Q851-S854 PolarHBondContact O-N 2.82Å; Q851-Q855 WeakPolarHBondContact O-CG 3.46Å; Q851-Q855 PolarHBondContact O-N 2.97Å |
| 852 | Q | 70.7 | Confident | 70.5 | Confident | 106 Ų | 106 | 108.5 Ų | 108.5 | 50% | 0.495 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.7 | -43.8 | 176.9 | -71.1 | -179.9 | 13.3 | 0 | 0 | 111.6 | E848 T849 S854 Q855 Q856 | E848-Q852 WeakPolarHBondContact O-CG 3.34Å; E848-Q852 PolarHBondContact O-N 2.92Å; T849-Q852 PolarHBondContact O-N 3.43Å; Q852-S854 VanDerWaalsContact C-N 3.33Å; Q852-S854 PolarHBondContact O-N 3.09Å; Q852-Q855 PolarHBondContact O-N 3.47Å; Q852-Q856 WeakPolarHBondContact O-CG 3.47Å; Q852-Q856 PolarHBondContact O-N 2.91Å |
| 853 | Q | 68.7 | Low | 70.4 | Confident | 141 Ų | 141 | 107.9 Ų | 107.9 | 66% | 0.659 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65 | -37.9 | 178 | -151.2 | 175.2 | 51.7 | 0 | 0 | 111.5 | T849 Q851 Q857 | T849-Q853 WeakPolarHBondContact O-CB 3.45Å; T849-Q853 PolarHBondContact O-N 3.3Å; Q851-Q853 PolarHBondContact O-N 3.2Å; Q853-Q857 VanDerWaalsContact O-CB 3.28Å; Q853-Q857 WeakPolarHBondContact O-CB 3.31Å; Q853-Q857 PolarHBondContact O-N 3.36Å |
| 854 | S | 66.1 | Low | 70.6 | Confident | 78 Ų | 78 | 107.7 Ų | 107.7 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.8 | -35.4 | 172.7 | -172.5 | 0 | 0 | 0 | 0 | 113.1 | G850 Q851 Q852 A858 | G850-S854 WeakPolarHBondContact O-CB 3.47Å; G850-S854 PolarHBondContact O-N 3.02Å; G850-S854 VanDerWaalsContact O-N 3.09Å; Q851-S854 PolarHBondContact O-N 2.82Å; Q852-S854 VanDerWaalsContact C-N 3.33Å; Q852-S854 PolarHBondContact O-N 3.09Å; S854-A858 WeakPolarHBondContact O-CB 3.4Å; S854-A858 PolarHBondContact O-N 2.92Å; S854-A858 VanDerWaalsContact O-N 3.11Å |
| 855 | Q | 75 | Confident | 70.3 | Confident | 135 Ų | 135 | 105.3 Ų | 105.3 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.1 | -46.9 | 176.2 | -75.2 | -179.7 | -6.4 | 0 | 0 | 111.5 | Q851 Q852 Q857 A858 H859 | Q851-Q855 WeakPolarHBondContact O-CG 3.46Å; Q851-Q855 PolarHBondContact O-N 2.97Å; Q852-Q855 PolarHBondContact O-N 3.47Å; Q855-Q857 VanDerWaalsContact C-N 3.32Å; Q855-Q857 PolarHBondContact O-N 3Å; Q855-A858 PolarHBondContact O-N 3.28Å; Q855-H859 PolarHBondContact O-N 3.48Å |
| 856 | Q | 71.6 | Confident | 70.1 | Confident | 133 Ų | 133 | 103.6 Ų | 103.6 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.1 | -44.1 | 175.7 | -71.9 | 176.6 | -0.4 | 0 | 0 | 111.7 | Q852 A858 H859 F860 | Q852-Q856 WeakPolarHBondContact O-CG 3.47Å; Q852-Q856 PolarHBondContact O-N 2.91Å; Q856-A858 PolarHBondContact O-N 2.98Å; Q856-H859 PolarHBondContact O-N 3.24Å; Q856-F860 PolarHBondContact O-N 3.37Å |
| 857 | Q | 71.5 | Confident | 70.2 | Confident | 142 Ų | 142 | 102.2 Ų | 102.2 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.6 | -34.1 | 178.9 | -167.2 | 166.4 | 84.4 | 0 | 0 | 112.5 | Q853 Q855 V861 | Q853-Q857 VanDerWaalsContact O-CB 3.28Å; Q853-Q857 WeakPolarHBondContact O-CB 3.31Å; Q853-Q857 PolarHBondContact O-N 3.36Å; Q855-Q857 VanDerWaalsContact C-N 3.32Å; Q855-Q857 PolarHBondContact O-N 3Å; Q857-V861 WeakPolarHBondContact O-CG2 3.45Å; Q857-V861 PolarHBondContact O-N 2.9Å |
| 858 | A | 71.1 | Confident | 70.3 | Confident | 61 Ų | 61 | 102.2 Ų | 102.2 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S854 Q855 Q856 F860 V861 H862 | S854-A858 WeakPolarHBondContact O-CB 3.4Å; S854-A858 PolarHBondContact O-N 2.92Å; S854-A858 VanDerWaalsContact O-N 3.11Å; Q855-A858 PolarHBondContact O-N 3.28Å; Q856-A858 PolarHBondContact O-N 2.98Å; A858-F860 PolarHBondContact O-N 2.93Å; A858-V861 PolarHBondContact O-N 3.38Å; A858-H862 PolarHBondContact O-N 2.81Å |
| 859 | H | 72.5 | Confident | 70 | Confident | 145 Ų | 145 | 101.9 Ų | 101.9 | 67% | 0.671 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.6 | -39.9 | 178.8 | -138.3 | -81.6 | 0 | 0 | 0 | 112.1 | Q855 Q856 H862 H863 | Q855-H859 PolarHBondContact O-N 3.48Å; Q856-H859 PolarHBondContact O-N 3.24Å; H859-H862 PolarHBondContact O-N 3.12Å; H859-H863 PolarHBondContact O-N 3.19Å |
| 860 | F | 74.1 | Confident | 70.1 | Confident | 125 Ų | 125 | 103.3 Ų | 103.3 | 55% | 0.548 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 174.8 | -174.9 | -96.2 | 0 | 0 | 0 | 112.4 | Q856 A858 H862 H863 Q864 | Q856-F860 PolarHBondContact O-N 3.37Å; A858-F860 PolarHBondContact O-N 2.93Å; F860-H862 VanDerWaalsContact C-N 3.33Å; F860-H862 PolarHBondContact O-N 2.71Å; F860-H863 PolarHBondContact O-N 3.01Å; F860-Q864 WeakPolarHBondContact O-CB 3.47Å; F860-Q864 PolarHBondContact O-N 2.85Å |
| 861 | V | 75.7 | Confident | 69.8 | Low | 86 Ų | 86 | 107.8 Ų | 107.8 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -36 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | Q857 A858 T865 | Q857-V861 WeakPolarHBondContact O-CG2 3.45Å; Q857-V861 PolarHBondContact O-N 2.9Å; A858-V861 PolarHBondContact O-N 3.38Å; V861-T865 WeakPolarHBondContact O-CB 3.49Å; V861-T865 PolarHBondContact O-N 3.44Å; V861-T865 PolarHBondContact O-OG1 2.9Å |
| 862 | H | 75.5 | Confident | 69.1 | Low | 109 Ų | 109 | 106.1 Ų | 106.1 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -50.2 | 175 | -170 | -96.1 | 0 | 0 | 0 | 111.4 | A858 H859 F860 Q864 T865 Q866 | A858-H862 PolarHBondContact O-N 2.81Å; H859-H862 PolarHBondContact O-N 3.12Å; F860-H862 VanDerWaalsContact C-N 3.33Å; F860-H862 PolarHBondContact O-N 2.71Å; H862-Q864 PolarHBondContact O-N 3.4Å; H862-T865 WeakPolarHBondContact O-CA 3.39Å; H862-T865 WeakPolarHBondContact O-CB 3.34Å; H862-T865 PolarHBondContact O-N 3.22Å; H862-Q866 VanDerWaalsContact CE1-CD 3.44Å; H862-Q866 PolarHBondContact CE1-NE2 3.14Å; H862-Q866 PolarHBondContact ND1-OE1 3.43Å; H862-Q866 PolarHBondContact O-N 2.99Å |
| 863 | H | 73.4 | Confident | 68.1 | Low | 107 Ų | 107 | 108.6 Ų | 108.6 | 50% | 0.495 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 176.7 | -170 | -61.6 | 0 | 0 | 0 | 112 | H859 F860 T865 Q866 S867 | H859-H863 PolarHBondContact O-N 3.19Å; F860-H863 PolarHBondContact O-N 3.01Å; H863-T865 PolarHBondContact O-N 3.42Å; H863-Q866 PolarHBondContact O-N 3.45Å; H863-S867 PolarHBondContact ND1-OG 2.94Å; H863-S867 PolarHBondContact O-N 2.86Å; H863-S867 PolarHBondContact O-OG 3.28Å; H863-S867 VanDerWaalsContact O-OG 3.07Å |
| 864 | Q | 73.9 | Confident | 67 | Low | 93 Ų | 93 | 108.7 Ų | 108.7 | 44% | 0.435 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.6 | -22.9 | 177.9 | -161.3 | -173.8 | 97.6 | 0 | 0 | 112.6 | F860 H862 K868 | F860-Q864 WeakPolarHBondContact O-CB 3.47Å; F860-Q864 PolarHBondContact O-N 2.85Å; H862-Q864 PolarHBondContact O-N 3.4Å; Q864-K868 WeakPolarHBondContact O-CG 3.34Å |
| 865 | T | 70.9 | Confident | 65.9 | Low | 72 Ų | 72 | 113.1 Ų | 113.1 | 44% | 0.442 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -76.9 | -45.6 | 173.5 | -56.6 | 0 | 0 | 0 | 0 | 111 | V861 H862 H863 K868 Q869 | V861-T865 WeakPolarHBondContact O-CB 3.49Å; V861-T865 PolarHBondContact O-N 3.44Å; V861-T865 PolarHBondContact O-OG1 2.9Å; H862-T865 WeakPolarHBondContact O-CA 3.39Å; H862-T865 WeakPolarHBondContact O-CB 3.34Å; H862-T865 PolarHBondContact O-N 3.22Å; H863-T865 PolarHBondContact O-N 3.42Å; T865-K868 PolarHBondContact O-N 2.59Å; T865-Q869 PolarHBondContact O-N 3.33Å |
| 866 | Q | 69 | Low | 64.1 | Low | 88 Ų | 88 | 115.4 Ų | 115.4 | 41% | 0.411 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.6 | -44.5 | 176.4 | -71.7 | -179.4 | -54 | 0 | 0 | 112 | H862 H863 K868 Q869 I870 | H862-Q866 VanDerWaalsContact CE1-CD 3.44Å; H862-Q866 PolarHBondContact CE1-NE2 3.14Å; H862-Q866 PolarHBondContact ND1-OE1 3.43Å; H862-Q866 PolarHBondContact O-N 2.99Å; H863-Q866 PolarHBondContact O-N 3.45Å; Q866-K868 PolarHBondContact O-N 2.9Å; Q866-Q869 PolarHBondContact O-N 3.5Å; Q866-Q869 VanDerWaalsContact O-N 3.1Å; Q866-I870 WeakPolarHBondContact O-CG1 3.41Å; Q866-I870 PolarHBondContact O-N 3.4Å |
| 867 | S | 68.6 | Low | 62.5 | Low | 46 Ų | 46 | 115 Ų | 115 | 32% | 0.322 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -56.8 | -37.9 | 175.8 | -54.2 | 0 | 0 | 0 | 0 | 112.6 | H863 Q871 | H863-S867 PolarHBondContact ND1-OG 2.94Å; H863-S867 PolarHBondContact O-N 2.86Å; H863-S867 PolarHBondContact O-OG 3.28Å; H863-S867 VanDerWaalsContact O-OG 3.07Å; S867-Q871 WeakPolarHBondContact O-CG 3.48Å; S867-Q871 PolarHBondContact O-N 2.93Å; S867-Q871 VanDerWaalsContact O-N 3.14Å |
| 868 | K | 67.4 | Low | 60.6 | Low | 125 Ų | 125 | 117.4 Ų | 117.4 | 54% | 0.543 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.3 | -36.5 | 176.5 | -73.5 | 174 | 179.9 | 170.8 | 0 | 112.8 | Q864 T865 Q866 S872 | Q864-K868 WeakPolarHBondContact O-CG 3.34Å; T865-K868 PolarHBondContact O-N 2.59Å; Q866-K868 PolarHBondContact O-N 2.9Å; K868-S872 PolarHBondContact O-N 3.42Å; K868-S872 PolarHBondContact O-OG 3.45Å |
| 869 | Q | 63.5 | Low | 59 | Low | 113 Ų | 113 | 123 Ų | 123 | 53% | 0.528 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.3 | -42.6 | 173.7 | -75.2 | -173 | -59.1 | 0 | 0 | 111.9 | T865 Q866 S872 Q873 | T865-Q869 PolarHBondContact O-N 3.33Å; Q866-Q869 PolarHBondContact O-N 3.5Å; Q866-Q869 VanDerWaalsContact O-N 3.1Å; Q869-S872 WeakPolarHBondContact CA-OG 3.38Å; Q869-S872 PolarHBondContact O-N 2.98Å; Q869-S872 PolarHBondContact O-OG 2.92Å; Q869-Q873 PolarHBondContact O-N 3.45Å |
| 870 | I | 64 | Low | 57.2 | Low | 104 Ų | 104 | 121.4 Ų | 121.4 | 53% | 0.533 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62 | -47.4 | 177.6 | -65.7 | 164.6 | 0 | 0 | 0 | 110.5 | Q866 S872 Q873 | Q866-I870 WeakPolarHBondContact O-CG1 3.41Å; Q866-I870 PolarHBondContact O-N 3.4Å; I870-S872 VanDerWaalsContact C-N 3.28Å; I870-S872 PolarHBondContact O-N 2.9Å; I870-Q873 PolarHBondContact O-N 3.17Å; I870-Q873 VanDerWaalsContact O-N 3.12Å |
| 871 | Q | 55.2 | Low | 55.3 | Low | 134 Ų | 134 | 122.7 Ų | 122.7 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.9 | -37.7 | 175.1 | -74.7 | 177 | -18.5 | 0 | 0 | 112.6 | S867 Q873 Q874 | S867-Q871 WeakPolarHBondContact O-CG 3.48Å; S867-Q871 PolarHBondContact O-N 2.93Å; S867-Q871 VanDerWaalsContact O-N 3.14Å; Q871-Q873 VanDerWaalsContact C-N 3.28Å; Q871-Q873 PolarHBondContact O-N 3.36Å; Q871-Q874 PolarHBondContact O-N 3.24Å |
| 872 | S | 52 | Low | 53.4 | Low | 86 Ų | 86 | 125.9 Ų | 125.9 | 60% | 0.601 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.3 | -14.9 | 178.1 | 66.8 | 0 | 0 | 0 | 0 | 115.2 | K868 Q869 I870 | K868-S872 PolarHBondContact O-N 3.42Å; K868-S872 PolarHBondContact O-OG 3.45Å; Q869-S872 WeakPolarHBondContact CA-OG 3.38Å; Q869-S872 PolarHBondContact O-N 2.98Å; Q869-S872 PolarHBondContact O-OG 2.92Å; I870-S872 VanDerWaalsContact C-N 3.28Å; I870-S872 PolarHBondContact O-N 2.9Å |
| 873 | Q | 50.5 | Low | 51.5 | Low | 158 Ų | 158 | 129.1 Ų | 129.1 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -93.2 | -14.7 | 177.4 | -70.1 | -178.2 | 39.6 | 0 | 0 | 113.5 | Q869 I870 Q871 H875 | Q869-Q873 PolarHBondContact O-N 3.45Å; I870-Q873 PolarHBondContact O-N 3.17Å; I870-Q873 VanDerWaalsContact O-N 3.12Å; Q871-Q873 VanDerWaalsContact C-N 3.28Å; Q871-Q873 PolarHBondContact O-N 3.36Å; Q873-H875 PolarHBondContact O-N 3.46Å |
| 874 | Q | 46.3 | Very low | 49.8 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -90.1 | 12.1 | -178.8 | -70.3 | -173.4 | -26.3 | 0 | 0 | 114.3 | Q871 | Q871-Q874 PolarHBondContact O-N 3.24Š|
| 875 | H | 42.2 | Very low | 47.9 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.796 | 67% | 0.674 | S | S | * | * | trans | -129.6 | 78.9 | -176.9 | -83.1 | 27 | 0 | 0 | 0 | 112.3 | Q873 | Q873-H875 PolarHBondContact O-N 3.46Š| ||
| 876 | Q | 36.5 | Very low | 46.1 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 86% | 0.855 | 69% | 0.686 | S | S | * | * | trans | -141.8 | 111.7 | 166 | -167.8 | 169.1 | 69.8 | 0 | 0 | 109.7 | ||||
| 877 | P | 38.8 | Very low | 44.4 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | trans | -86.3 | 147.5 | -173.4 | 33.3 | -34.6 | 0 | 0 | 0 | 113.1 | ||||
| 878 | Q | 32.3 | Very low | 42.9 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 90% | 0.902 | 72% | 0.724 | S | S | * | * | trans | -94.2 | 139 | 176 | -67 | -178.5 | -5.7 | 0 | 0 | 112.8 | ||||
| 879 | Q | 37.1 | Very low | 41.4 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | trans | -147.4 | 152.2 | 160 | -52.2 | -174.9 | -8.5 | 0 | 0 | 106 | ||||
| 880 | T | 33.6 | Very low | 40.2 | Very low | 111 Ų | 111 | 151 Ų | 151 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | cis | -154.7 | 136.4 | 15 | -31.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 881 | Q | 35.8 | Very low | 39 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 40.6 | 128.3 | 146.7 | -66.4 | 174.6 | 6.8 | 0 | 0 | 124.9 | ||||
| 882 | Q | 34.4 | Very low | 38.4 | Very low | 154 Ų | 154 | 157.4 Ų | 157.4 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 63 | 150.8 | 125.5 | -54.1 | 172.6 | 19.8 | 0 | 0 | 119.7 | |||||
| 883 | Q | 36.7 | Very low | 37.9 | Very low | 176 Ų | 176 | 158.4 Ų | 158.4 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | cis | -139.2 | 178.2 | 24.9 | -87 | -165.6 | -1.6 | 0 | 0 | 113.9 | ||||
| 884 | P | 37.4 | Very low | 37.5 | Very low | 109 Ų | 109 | 159.7 Ų | 159.7 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | -123.4 | -178.2 | -160.7 | 44.1 | -33.1 | 0 | 0 | 0 | 118 | ||||
| 885 | R | 34.3 | Very low | 37.4 | Very low | 245 Ų | 245 | 161 Ų | 161 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | 74.8 | 151 | 168 | -83 | 179.3 | 166.7 | 168 | -5.3 | 116.1 | ||||
| 886 | S | 32.7 | Very low | 37.5 | Very low | 99 Ų | 99 | 156.1 Ų | 156.1 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | cis | -164.7 | 137.2 | 1.5 | 140.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 887 | Q | 34.1 | Very low | 38 | Very low | 163 Ų | 163 | 154.2 Ų | 154.2 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | 177.5 | 167.5 | 128.3 | -103.8 | -169.8 | -4.2 | 0 | 0 | 114.2 | |||||
| 888 | F | 37 | Very low | 38.3 | Very low | 174 Ų | 174 | 155.3 Ų | 155.3 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | trans | 58 | 58.6 | 164.4 | -72.4 | -68.4 | 0 | 0 | 0 | 121.5 | ||||
| 889 | Q | 35 | Very low | 38.9 | Very low | 153 Ų | 153 | 154 Ų | 154 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | 9.4 | 116.4 | 113.8 | -163.6 | -175.9 | 19.4 | 0 | 0 | 118.6 | |||||
| 890 | F | 37.6 | Very low | 39.3 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | 173.2 | 154.7 | 115.1 | -103.7 | -75.6 | 0 | 0 | 0 | 114.6 | |||||
| 891 | Y | 40.2 | Very low | 40.3 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | 67.1 | 84.1 | 163.6 | -91.9 | -80.6 | 0 | 0 | 0 | 123.6 | ||||
| 892 | Q | 41.8 | Very low | 40.9 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | trans | 57.6 | 157.5 | 131.7 | -75.2 | -161.6 | -13.1 | 0 | 0 | 124.7 | ||||
| 893 | P | 40.9 | Very low | 42 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | trans | -123.5 | 152.1 | -165.5 | 40.4 | -24.6 | 0 | 0 | 0 | 116.6 | ||||
| 894 | Q | 42.6 | Very low | 43.3 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -137.7 | -24.3 | 158.2 | -80.2 | -155.6 | -18.5 | 0 | 0 | 115.7 | A896 | Q894-A896 VanDerWaalsContact C-N 3.28Å; Q894-A896 PolarHBondContact O-N 2.93Å; Q894-A896 VanDerWaalsContact O-N 3.12Å | ||
| 895 | F | 44 | Very low | 44.3 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 75% | 0.75 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -2.1 | -169.5 | -70 | -78 | 0 | 0 | 0 | 116.9 | ||
| 896 | A | 44.3 | Very low | 45.6 | Very low | 69 Ų | 69 | 134.6 Ų | 134.6 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67.9 | -38.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q894 | Q894-A896 VanDerWaalsContact C-N 3.28Å; Q894-A896 PolarHBondContact O-N 2.93Å; Q894-A896 VanDerWaalsContact O-N 3.12Å |
| 897 | H | 48.2 | Very low | 47.5 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 66% | 0.662 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -74.3 | -32.4 | -173.8 | -85.4 | -79.4 | 0 | 0 | 0 | 113.9 | F899 Q900 | H897-F899 PolarHBondContact O-N 3Å; H897-Q900 PolarHBondContact O-N 2.93Å |
| 898 | Q | 44.1 | Very low | 49.3 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 68% | 0.682 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.4 | -33.7 | -174.6 | -163.6 | 167.3 | 3.6 | 0 | 0 | 112.2 | Q900 S902 | Q898-Q900 PolarHBondContact O-N 3.11Å; Q898-S902 PolarHBondContact O-N 2.71Å; Q898-S902 PolarHBondContact O-OG 2.92Å |
| 899 | F | 44.3 | Very low | 51.1 | Low | 164 Ų | 164 | 132.5 Ų | 132.5 | 72% | 0.719 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.2 | -32.1 | 175.6 | -105.8 | -89.1 | 0 | 0 | 0 | 113.5 | H897 T903 | H897-F899 PolarHBondContact O-N 3Å; F899-T903 PolarHBondContact O-N 3.49Å; F899-T903 PolarHBondContact O-OG1 3.24Å |
| 900 | Q | 47.3 | Very low | 53.2 | Low | 136 Ų | 136 | 130.3 Ų | 130.3 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.6 | -34.8 | 179.4 | -69.8 | -172.3 | -25.6 | 0 | 0 | 112.9 | H897 Q898 T903 G904 | H897-Q900 PolarHBondContact O-N 2.93Å; Q898-Q900 PolarHBondContact O-N 3.11Å; Q900-T903 PolarHBondContact O-OG1 2.91Å; Q900-G904 PolarHBondContact O-N 3.3Å; Q900-G904 VanDerWaalsContact O-N 3.15Å |
| 901 | H | 53.2 | Low | 55.3 | Low | 144 Ų | 144 | 129.1 Ų | 129.1 | 67% | 0.667 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.7 | -40.6 | 172.9 | -93.2 | -85.5 | 0 | 0 | 0 | 112.3 | G904 Q905 | H901-G904 PolarHBondContact O-N 2.94Å; H901-Q905 PolarHBondContact O-N 3.38Å; H901-Q905 VanDerWaalsContact O-N 3.16Å |
| 902 | S | 49.7 | Very low | 57.3 | Low | 65 Ų | 65 | 125.3 Ų | 125.3 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.4 | -37.4 | -179.4 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | Q898 L906 | Q898-S902 PolarHBondContact O-N 2.71Å; Q898-S902 PolarHBondContact O-OG 2.92Å; S902-L906 PolarHBondContact O-N 3.38Å |
| 903 | T | 56.8 | Low | 59.3 | Low | 82 Ų | 82 | 123 Ų | 123 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.1 | -34.3 | 173.7 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | F899 Q900 Q907 | F899-T903 PolarHBondContact O-N 3.49Å; F899-T903 PolarHBondContact O-OG1 3.24Å; Q900-T903 PolarHBondContact O-OG1 2.91Å; T903-Q907 PolarHBondContact O-N 3.46Å; T903-Q907 VanDerWaalsContact O-N 3.14Å |
| 904 | G | 63 | Low | 61.4 | Low | 35 Ų | 35 | 123.4 Ų | 123.4 | 36% | 0.361 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.6 | -46.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q900 H901 Q907 Q908 | Q900-G904 PolarHBondContact O-N 3.3Å; Q900-G904 VanDerWaalsContact O-N 3.15Å; H901-G904 PolarHBondContact O-N 2.94Å; G904-Q907 PolarHBondContact O-N 3.35Å; G904-Q908 PolarHBondContact O-N 2.85Å |
| 905 | Q | 59.7 | Low | 63.5 | Low | 131 Ų | 131 | 119 Ų | 119 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.2 | -47.2 | 178.5 | -73 | -170.2 | -55.2 | 0 | 0 | 112.6 | H901 Q907 Q908 D909 | H901-Q905 PolarHBondContact O-N 3.38Å; H901-Q905 VanDerWaalsContact O-N 3.16Å; Q905-Q907 PolarHBondContact O-N 3.36Å; Q905-Q908 PolarHBondContact O-N 2.81Å; Q905-D909 PolarHBondContact O-N 2.85Å |
| 906 | L | 61 | Low | 65.6 | Low | 127 Ų | 127 | 116.6 Ų | 116.6 | 67% | 0.665 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57.5 | -34.5 | 177 | -85 | 166.3 | 0 | 0 | 0 | 112.7 | S902 H910 | S902-L906 PolarHBondContact O-N 3.38Å; L906-H910 WeakPolarHBondContact O-CB 3.42Å; L906-H910 PolarHBondContact O-N 2.96Å; L906-H910 VanDerWaalsContact O-N 3.13Å |
| 907 | Q | 71.7 | Confident | 67.5 | Low | 139 Ų | 139 | 118 Ų | 118 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -77.5 | -30.6 | 177.7 | -166.6 | 152.4 | 0.4 | 0 | 0 | 112.9 | T903 G904 Q905 Q911 | T903-Q907 PolarHBondContact O-N 3.46Å; T903-Q907 VanDerWaalsContact O-N 3.14Å; G904-Q907 PolarHBondContact O-N 3.35Å; Q905-Q907 PolarHBondContact O-N 3.36Å; Q907-Q911 PolarHBondContact O-N 2.94Å; Q907-Q911 VanDerWaalsContact O-N 3.1Å |
| 908 | Q | 73.2 | Confident | 69.5 | Low | 139 Ų | 139 | 117 Ų | 117 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.7 | -45.9 | 169.6 | -75.8 | -174.7 | -27.7 | 0 | 0 | 112.1 | G904 Q905 H910 Q911 H912 | G904-Q908 PolarHBondContact O-N 2.85Å; Q905-Q908 PolarHBondContact O-N 2.81Å; Q908-H910 VanDerWaalsContact C-N 3.31Å; Q908-H910 PolarHBondContact O-N 3.23Å; Q908-Q911 PolarHBondContact O-N 2.97Å; Q908-H912 WeakPolarHBondContact O-CB 3.4Å; Q908-H912 PolarHBondContact O-N 3.28Å |
| 909 | D | 73.8 | Confident | 71.7 | Confident | 113 Ų | 113 | 116.5 Ų | 116.5 | 60% | 0.604 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.4 | -41.9 | 176.1 | -83.3 | -36.1 | 0 | 0 | 0 | 111.6 | Q905 H912 Q913 | Q905-D909 PolarHBondContact O-N 2.85Å; D909-H912 PolarHBondContact O-N 3.05Å; D909-Q913 WeakPolarHBondContact O-CB 3.41Å; D909-Q913 PolarHBondContact O-N 2.88Å |
| 910 | H | 79 | Confident | 73.7 | Confident | 107 Ų | 107 | 114.6 Ų | 114.6 | 50% | 0.495 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.7 | -36.7 | 177.9 | -160.2 | 65 | 0 | 0 | 0 | 112.7 | L906 Q908 M914 | L906-H910 WeakPolarHBondContact O-CB 3.42Å; L906-H910 PolarHBondContact O-N 2.96Å; L906-H910 VanDerWaalsContact O-N 3.13Å; Q908-H910 VanDerWaalsContact C-N 3.31Å; Q908-H910 PolarHBondContact O-N 3.23Å; H910-M914 WeakPolarHBondContact O-CB 3.49Å; H910-M914 WeakPolarHBondContact O-CG 3.28Å; H910-M914 PolarHBondContact O-N 3.45Å |
| 911 | Q | 82.1 | Confident | 75.6 | Confident | 138 Ų | 138 | 111.6 Ų | 111.6 | 65% | 0.645 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.1 | -43 | 169.6 | -81.3 | -170.4 | -22.9 | 0 | 0 | 111.9 | Q907 Q908 M914 L915 | Q907-Q911 PolarHBondContact O-N 2.94Å; Q907-Q911 VanDerWaalsContact O-N 3.1Å; Q908-Q911 PolarHBondContact O-N 2.97Å; Q911-M914 PolarHBondContact O-N 2.89Å; Q911-L915 WeakPolarHBondContact O-CB 3.01Å; Q911-L915 PolarHBondContact O-N 2.94Å |
| 912 | H | 82.5 | Confident | 77.3 | Confident | 115 Ų | 115 | 109.6 Ų | 109.6 | 53% | 0.532 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.9 | -41.3 | -179 | -150.8 | 98.2 | 0 | 0 | 0 | 111.6 | Q908 D909 L915 Q916 | Q908-H912 WeakPolarHBondContact O-CB 3.4Å; Q908-H912 PolarHBondContact O-N 3.28Å; D909-H912 PolarHBondContact O-N 3.05Å; H912-L915 PolarHBondContact O-N 3.45Å; H912-Q916 WeakPolarHBondContact O-CG 3.42Å; H912-Q916 PolarHBondContact O-N 3.28Å |
| 913 | Q | 84.9 | Confident | 79.1 | Confident | 128 Ų | 128 | 111.8 Ų | 111.8 | 60% | 0.598 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.4 | -41.5 | 174.5 | -171.3 | 175.5 | 56 | 0 | 0 | 112.3 | D909 L915 Q916 H917 | D909-Q913 WeakPolarHBondContact O-CB 3.41Å; D909-Q913 PolarHBondContact O-N 2.88Å; Q913-L915 VanDerWaalsContact C-N 3.34Å; Q913-Q916 PolarHBondContact O-N 3.37Å; Q913-H917 WeakPolarHBondContact O-CB 3.43Å; Q913-H917 PolarHBondContact O-N 3.41Å |
| 914 | M | 83.9 | Confident | 80.5 | Confident | 115 Ų | 115 | 112.6 Ų | 112.6 | 57% | 0.567 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.8 | -40.4 | 173.2 | -83.9 | -71.4 | -70.5 | 0 | 0 | 112.3 | H910 Q911 H917 Q918 | H910-M914 WeakPolarHBondContact O-CB 3.49Å; H910-M914 WeakPolarHBondContact O-CG 3.28Å; H910-M914 PolarHBondContact O-N 3.45Å; Q911-M914 PolarHBondContact O-N 2.89Å; M914-H917 PolarHBondContact O-N 2.91Å; M914-Q918 WeakPolarHBondContact O-CB 3.35Å; M914-Q918 PolarHBondContact O-N 3.4Å |
| 915 | L | 87.9 | Confident | 81.7 | Confident | 93 Ų | 93 | 117 Ų | 117 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68 | -42.9 | 178.5 | -167 | 67.5 | 0 | 0 | 0 | 111.7 | Q911 H912 Q913 H917 Q918 Q919 | Q911-L915 WeakPolarHBondContact O-CB 3.01Å; Q911-L915 PolarHBondContact O-N 2.94Å; H912-L915 PolarHBondContact O-N 3.45Å; Q913-L915 VanDerWaalsContact C-N 3.34Å; L915-H917 PolarHBondContact O-N 3.21Å; L915-Q918 PolarHBondContact O-N 3.29Å; L915-Q919 WeakPolarHBondContact O-CB 3.27Å; L915-Q919 PolarHBondContact O-N 2.94Å |
| 916 | Q | 87.1 | Confident | 83.2 | Confident | 120 Ų | 120 | 116.2 Ų | 116.2 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.8 | -43.8 | 172.2 | -74.1 | -175.9 | 5.9 | 0 | 0 | 111.8 | H912 Q913 Q919 Q920 | H912-Q916 WeakPolarHBondContact O-CG 3.42Å; H912-Q916 PolarHBondContact O-N 3.28Å; Q913-Q916 PolarHBondContact O-N 3.37Å; Q916-Q919 PolarHBondContact O-N 3.25Å; Q916-Q920 WeakPolarHBondContact O-CB 3.49Å; Q916-Q920 PolarHBondContact O-N 2.94Å |
| 917 | H | 85.1 | Confident | 84.5 | Confident | 99 Ų | 99 | 114.8 Ų | 114.8 | 46% | 0.458 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -41.8 | 178.6 | -169.2 | 59.1 | 0 | 0 | 0 | 112.2 | Q913 M914 L915 Q919 Q920 V921 | Q913-H917 WeakPolarHBondContact O-CB 3.43Å; Q913-H917 PolarHBondContact O-N 3.41Å; M914-H917 PolarHBondContact O-N 2.91Å; L915-H917 PolarHBondContact O-N 3.21Å; H917-Q919 VanDerWaalsContact C-N 3.33Å; H917-Q919 PolarHBondContact O-N 3.48Å; H917-Q920 PolarHBondContact O-N 3.29Å; H917-V921 WeakPolarHBondContact O-CG2 3.47Å; H917-V921 PolarHBondContact O-N 3.29Å |
| 918 | Q | 88.3 | Confident | 85.3 | Confident | 120 Ų | 120 | 112.1 Ų | 112.1 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.3 | -45.7 | 173.2 | -174.9 | -172.5 | 96.2 | 0 | 0 | 111.3 | M914 L915 Q920 V921 I922 | M914-Q918 WeakPolarHBondContact O-CB 3.35Å; M914-Q918 PolarHBondContact O-N 3.4Å; L915-Q918 PolarHBondContact O-N 3.29Å; Q918-Q920 PolarHBondContact O-N 3.47Å; Q918-V921 PolarHBondContact O-N 2.95Å; Q918-I922 HydrophobicContact CG-CD1 4.1Å; Q918-I922 WeakPolarHBondContact O-CG1 3.18Å; Q918-I922 PolarHBondContact O-N 2.9Å |
| 919 | Q | 90.5 | Very high | 86.1 | Confident | 136 Ų | 136 | 110.6 Ų | 110.6 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.2 | -38.9 | -179.2 | -157.3 | 165.3 | 100.8 | 0 | 0 | 112 | L915 Q916 H917 I922 Q923 | L915-Q919 WeakPolarHBondContact O-CB 3.27Å; L915-Q919 PolarHBondContact O-N 2.94Å; Q916-Q919 PolarHBondContact O-N 3.25Å; H917-Q919 VanDerWaalsContact C-N 3.33Å; H917-Q919 PolarHBondContact O-N 3.48Å; Q919-I922 PolarHBondContact O-N 3.19Å; Q919-Q923 PolarHBondContact O-N 2.95Å |
| 920 | Q | 87.5 | Confident | 86.8 | Confident | 124 Ų | 124 | 109.9 Ų | 109.9 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -39.1 | 173 | -168.8 | 180 | 43.4 | 0 | 0 | 112.5 | Q916 H917 Q918 Q923 L924 | Q916-Q920 WeakPolarHBondContact O-CB 3.49Å; Q916-Q920 PolarHBondContact O-N 2.94Å; H917-Q920 PolarHBondContact O-N 3.29Å; Q918-Q920 PolarHBondContact O-N 3.47Å; Q920-Q923 PolarHBondContact O-N 2.66Å; Q920-L924 WeakPolarHBondContact O-CB 3.4Å; Q920-L924 PolarHBondContact O-N 3.47Å |
| 921 | V | 86.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 110.5 Ų | 110.5 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | H917 Q918 L924 H925 | H917-V921 WeakPolarHBondContact O-CG2 3.47Å; H917-V921 PolarHBondContact O-N 3.29Å; Q918-V921 PolarHBondContact O-N 2.95Å; V921-L924 PolarHBondContact O-N 3.49Å; V921-H925 WeakPolarHBondContact O-CB 3.4Å; V921-H925 PolarHBondContact O-N 3.37Å |
| 922 | I | 88.1 | Confident | 87.6 | Confident | 101 Ų | 101 | 108.8 Ų | 108.8 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 174.6 | -69 | 164.2 | 0 | 0 | 0 | 110.5 | Q918 Q919 L924 H925 Q926 | Q918-I922 HydrophobicContact CG-CD1 4.1Å; Q918-I922 WeakPolarHBondContact O-CG1 3.18Å; Q918-I922 PolarHBondContact O-N 2.9Å; Q919-I922 PolarHBondContact O-N 3.19Å; I922-L924 PolarHBondContact O-N 3.28Å; I922-H925 PolarHBondContact O-N 2.92Å; I922-Q926 PolarHBondContact O-N 2.8Å |
| 923 | Q | 87.9 | Confident | 87.9 | Confident | 111 Ų | 111 | 108.4 Ų | 108.4 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 178.2 | -166.8 | 177.7 | 30.5 | 0 | 0 | 112.1 | Q919 Q920 Q926 Q927 | Q919-Q923 PolarHBondContact O-N 2.95Å; Q920-Q923 PolarHBondContact O-N 2.66Å; Q923-Q926 PolarHBondContact O-N 3.01Å; Q923-Q927 PolarHBondContact O-N 3.44Å |
| 924 | L | 87.4 | Confident | 88.1 | Confident | 100 Ų | 100 | 106.3 Ų | 106.3 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.3 | -173.7 | 71.1 | 0 | 0 | 0 | 112.1 | Q920 V921 I922 Q927 L928 | Q920-L924 WeakPolarHBondContact O-CB 3.4Å; Q920-L924 PolarHBondContact O-N 3.47Å; V921-L924 PolarHBondContact O-N 3.49Å; I922-L924 PolarHBondContact O-N 3.28Å; L924-Q927 PolarHBondContact O-N 2.98Å; L924-L928 WeakPolarHBondContact O-CB 3.32Å; L924-L928 PolarHBondContact O-N 2.99Å |
| 925 | H | 86.8 | Confident | 87.9 | Confident | 127 Ų | 127 | 103.9 Ų | 103.9 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -41.6 | 178.3 | -160.8 | 100.1 | 0 | 0 | 0 | 111.6 | V921 I922 L928 Q929 | V921-H925 WeakPolarHBondContact O-CB 3.4Å; V921-H925 PolarHBondContact O-N 3.37Å; I922-H925 PolarHBondContact O-N 2.92Å; H925-L928 PolarHBondContact O-N 3.49Å; H925-Q929 WeakPolarHBondContact O-CB 3.4Å; H925-Q929 PolarHBondContact O-N 2.73Å |
| 926 | Q | 91.2 | Very high | 87.8 | Confident | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 175.4 | -172.5 | 174.5 | 71.9 | 0 | 0 | 111.9 | I922 Q923 L928 Q929 Q930 | I922-Q926 PolarHBondContact O-N 2.8Å; Q923-Q926 PolarHBondContact O-N 3.01Å; Q926-L928 PolarHBondContact O-N 2.89Å; Q926-Q929 PolarHBondContact O-N 3.5Å; Q926-Q930 WeakPolarHBondContact O-CG 3.43Å; Q926-Q930 PolarHBondContact O-N 3.31Å |
| 927 | Q | 89.3 | Confident | 87.8 | Confident | 97 Ų | 97 | 105 Ų | 105 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.5 | -171 | -178.6 | 12.7 | 0 | 0 | 112 | Q923 L924 Q930 Q931 | Q923-Q927 PolarHBondContact O-N 3.44Å; L924-Q927 PolarHBondContact O-N 2.98Å; Q927-Q930 PolarHBondContact O-N 3.3Å; Q927-Q931 PolarHBondContact O-N 3.46Å |
| 928 | L | 88.6 | Confident | 87.7 | Confident | 84 Ų | 84 | 104.8 Ų | 104.8 | 44% | 0.44 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 176.5 | -175.8 | 64.5 | 0 | 0 | 0 | 111.9 | L924 H925 Q926 Q931 Q932 | L924-L928 WeakPolarHBondContact O-CB 3.32Å; L924-L928 PolarHBondContact O-N 2.99Å; H925-L928 PolarHBondContact O-N 3.49Å; Q926-L928 PolarHBondContact O-N 2.89Å; L928-Q931 PolarHBondContact O-N 3Å; L928-Q932 WeakPolarHBondContact O-CG 3.38Å; L928-Q932 PolarHBondContact O-N 3.35Å |
| 929 | Q | 89.9 | Confident | 87.4 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.9 | -165.9 | 178 | 30 | 0 | 0 | 111.7 | H925 Q926 Q931 Q932 Q933 | H925-Q929 WeakPolarHBondContact O-CB 3.4Å; H925-Q929 PolarHBondContact O-N 2.73Å; Q926-Q929 PolarHBondContact O-N 3.5Å; Q929-Q931 PolarHBondContact O-N 3.47Å; Q929-Q932 PolarHBondContact O-N 3.29Å; Q929-Q933 WeakPolarHBondContact O-CG 3.32Å; Q929-Q933 PolarHBondContact O-N 2.97Å |
| 930 | Q | 89 | Confident | 87.1 | Confident | 97 Ų | 97 | 103.1 Ų | 103.1 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 172.9 | -70.5 | 174.8 | 9.4 | 0 | 0 | 111.9 | Q926 Q927 Q932 Q933 Q934 | Q926-Q930 WeakPolarHBondContact O-CG 3.43Å; Q926-Q930 PolarHBondContact O-N 3.31Å; Q927-Q930 PolarHBondContact O-N 3.3Å; Q930-Q932 VanDerWaalsContact C-N 3.34Å; Q930-Q932 PolarHBondContact O-N 2.93Å; Q930-Q933 PolarHBondContact O-N 3.3Å; Q930-Q934 WeakPolarHBondContact O-CG 3.44Å; Q930-Q934 PolarHBondContact O-N 3.33Å |
| 931 | Q | 87.9 | Confident | 87.1 | Confident | 120 Ų | 120 | 103.2 Ų | 103.2 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -38.5 | 176.3 | -177.4 | 174.2 | 81.4 | 0 | 0 | 112.3 | Q927 L928 Q929 T935 | Q927-Q931 PolarHBondContact O-N 3.46Å; L928-Q931 PolarHBondContact O-N 3Å; Q929-Q931 PolarHBondContact O-N 3.47Å; Q931-T935 WeakPolarHBondContact O-CB 3.48Å; Q931-T935 PolarHBondContact O-N 3.49Å; Q931-T935 PolarHBondContact O-OG1 3.48Å |
| 932 | Q | 89.3 | Confident | 86.7 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 174.2 | -71.8 | -179.6 | 27.2 | 0 | 0 | 111.9 | L928 Q929 Q930 T935 Q936 | L928-Q932 WeakPolarHBondContact O-CG 3.38Å; L928-Q932 PolarHBondContact O-N 3.35Å; Q929-Q932 PolarHBondContact O-N 3.29Å; Q930-Q932 VanDerWaalsContact C-N 3.34Å; Q930-Q932 PolarHBondContact O-N 2.93Å; Q932-T935 WeakPolarHBondContact O-CB 3.45Å; Q932-T935 PolarHBondContact O-N 2.89Å; Q932-Q936 WeakPolarHBondContact O-CG 3.35Å; Q932-Q936 PolarHBondContact O-N 3.43Å |
| 933 | Q | 89.6 | Confident | 86.7 | Confident | 106 Ų | 106 | 104.5 Ų | 104.5 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.1 | -71.2 | 176.9 | -3.7 | 0 | 0 | 112.1 | Q929 Q930 T935 Q936 Q937 | Q929-Q933 WeakPolarHBondContact O-CG 3.32Å; Q929-Q933 PolarHBondContact O-N 2.97Å; Q930-Q933 PolarHBondContact O-N 3.3Å; Q933-T935 VanDerWaalsContact C-N 3.3Å; Q933-T935 PolarHBondContact O-N 2.89Å; Q933-Q936 PolarHBondContact O-N 2.97Å; Q933-Q937 WeakPolarHBondContact O-CG 3.42Å; Q933-Q937 PolarHBondContact O-N 3.19Å |
| 934 | Q | 87.1 | Confident | 86.7 | Confident | 84 Ų | 84 | 104.2 Ų | 104.2 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 174.9 | -70.6 | 175.8 | 11.1 | 0 | 0 | 112.1 | Q930 Q937 Q938 | Q930-Q934 WeakPolarHBondContact O-CG 3.44Å; Q930-Q934 PolarHBondContact O-N 3.33Å; Q934-Q937 PolarHBondContact O-N 3.37Å; Q934-Q938 WeakPolarHBondContact O-CG 3.43Å; Q934-Q938 PolarHBondContact O-N 3.33Å |
| 935 | T | 81.3 | Confident | 86.7 | Confident | 64 Ų | 64 | 104 Ų | 104 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 177 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | Q931 Q932 Q933 Q938 Q939 | Q931-T935 WeakPolarHBondContact O-CB 3.48Å; Q931-T935 PolarHBondContact O-N 3.49Å; Q931-T935 PolarHBondContact O-OG1 3.48Å; Q932-T935 WeakPolarHBondContact O-CB 3.45Å; Q932-T935 PolarHBondContact O-N 2.89Å; Q933-T935 VanDerWaalsContact C-N 3.3Å; Q933-T935 PolarHBondContact O-N 2.89Å; T935-Q938 PolarHBondContact O-N 3.45Å; T935-Q939 WeakPolarHBondContact O-CG 3.5Å; T935-Q939 PolarHBondContact O-N 2.94Å |
| 936 | Q | 85.8 | Confident | 86.7 | Confident | 117 Ų | 117 | 104.3 Ų | 104.3 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 175.1 | -70.8 | 176.7 | 16.7 | 0 | 0 | 111.6 | Q932 Q933 Q938 Q939 T940 | Q932-Q936 WeakPolarHBondContact O-CG 3.35Å; Q932-Q936 PolarHBondContact O-N 3.43Å; Q933-Q936 PolarHBondContact O-N 2.97Å; Q936-Q938 PolarHBondContact O-N 3.49Å; Q936-Q939 PolarHBondContact O-N 3.38Å; Q936-T940 PolarHBondContact O-N 2.91Å; Q936-T940 PolarHBondContact O-OG1 3.4Å |
| 937 | Q | 85.9 | Confident | 86.6 | Confident | 119 Ų | 119 | 103.3 Ų | 103.3 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.3 | -43.7 | 176.2 | -73.3 | 176.5 | -0.1 | 0 | 0 | 112.2 | Q933 Q934 T940 Q941 | Q933-Q937 WeakPolarHBondContact O-CG 3.42Å; Q933-Q937 PolarHBondContact O-N 3.19Å; Q934-Q937 PolarHBondContact O-N 3.37Å; Q937-T940 PolarHBondContact O-N 3.01Å; Q937-Q941 WeakPolarHBondContact O-CB 3.35Å; Q937-Q941 VanDerWaalsContact O-CG 3.3Å; Q937-Q941 WeakPolarHBondContact O-CG 3.39Å; Q937-Q941 PolarHBondContact O-N 3.46Å |
| 938 | Q | 82.5 | Confident | 86.6 | Confident | 96 Ų | 96 | 102.8 Ų | 102.8 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 174.4 | -72.8 | -179.7 | 20.5 | 0 | 0 | 112.1 | Q934 T935 Q936 Q941 T942 | Q934-Q938 WeakPolarHBondContact O-CG 3.43Å; Q934-Q938 PolarHBondContact O-N 3.33Å; T935-Q938 PolarHBondContact O-N 3.45Å; Q936-Q938 PolarHBondContact O-N 3.49Å; Q938-Q941 PolarHBondContact O-N 3.07Å; Q938-T942 WeakPolarHBondContact O-CG2 3.31Å; Q938-T942 PolarHBondContact O-N 2.69Å; Q938-T942 PolarHBondContact O-OG1 3.4Å |
| 939 | Q | 84 | Confident | 86.4 | Confident | 120 Ų | 120 | 103.1 Ų | 103.1 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.1 | -47.5 | 175 | -73.7 | 174.5 | 6.6 | 0 | 0 | 111.5 | T935 Q936 Q941 T942 H943 | T935-Q939 WeakPolarHBondContact O-CG 3.5Å; T935-Q939 PolarHBondContact O-N 2.94Å; Q936-Q939 PolarHBondContact O-N 3.38Å; Q939-Q941 VanDerWaalsContact C-N 3.35Å; Q939-Q941 PolarHBondContact O-N 3.01Å; Q939-T942 PolarHBondContact O-N 3.3Å; Q939-T942 PolarHBondContact O-OG1 2.97Å; Q939-H943 PolarHBondContact O-N 2.95Å |
| 940 | T | 84.1 | Confident | 86.1 | Confident | 101 Ų | 101 | 104.3 Ų | 104.3 | 62% | 0.62 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.5 | -41.6 | 175.6 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | Q936 Q937 H943 H944 | Q936-T940 PolarHBondContact O-N 2.91Å; Q936-T940 PolarHBondContact O-OG1 3.4Å; Q937-T940 PolarHBondContact O-N 3.01Å; T940-H943 PolarHBondContact O-N 2.95Å; T940-H944 WeakPolarHBondContact O-CB 3.49Å; T940-H944 PolarHBondContact O-N 2.69Å |
| 941 | Q | 85.9 | Confident | 86 | Confident | 125 Ų | 125 | 105.3 Ų | 105.3 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -46.9 | 175.6 | -74.8 | 173.2 | 2.1 | 0 | 0 | 112.1 | Q937 Q938 Q939 H943 H944 Q945 | Q937-Q941 WeakPolarHBondContact O-CB 3.35Å; Q937-Q941 VanDerWaalsContact O-CG 3.3Å; Q937-Q941 WeakPolarHBondContact O-CG 3.39Å; Q937-Q941 PolarHBondContact O-N 3.46Å; Q938-Q941 PolarHBondContact O-N 3.07Å; Q939-Q941 VanDerWaalsContact C-N 3.35Å; Q939-Q941 PolarHBondContact O-N 3.01Å; Q941-H943 PolarHBondContact O-N 3.4Å; Q941-H944 PolarHBondContact O-N 3.01Å; Q941-Q945 WeakPolarHBondContact O-CB 3.39Å; Q941-Q945 PolarHBondContact O-N 2.9Å |
| 942 | T | 80.2 | Confident | 85.8 | Confident | 82 Ų | 82 | 105.3 Ų | 105.3 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 177.8 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | Q938 Q939 Q945 Q946 | Q938-T942 WeakPolarHBondContact O-CG2 3.31Å; Q938-T942 PolarHBondContact O-N 2.69Å; Q938-T942 PolarHBondContact O-OG1 3.4Å; Q939-T942 PolarHBondContact O-N 3.3Å; Q939-T942 PolarHBondContact O-OG1 2.97Å; T942-Q945 PolarHBondContact O-N 3.26Å; T942-Q946 WeakPolarHBondContact O-CB 3.35Å; T942-Q946 PolarHBondContact O-N 3.48Å |
| 943 | H | 86.3 | Confident | 85.4 | Confident | 121 Ų | 121 | 105.6 Ų | 105.6 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.4 | -44.2 | 174 | -174.8 | -84 | 0 | 0 | 0 | 111.7 | Q939 T940 Q941 Q946 Q947 | Q939-H943 PolarHBondContact O-N 2.95Å; T940-H943 PolarHBondContact O-N 2.95Å; Q941-H943 PolarHBondContact O-N 3.4Å; H943-Q946 PolarHBondContact O-N 2.72Å; H943-Q947 WeakPolarHBondContact O-CB 3.47Å; H943-Q947 PolarHBondContact O-N 3.22Å |
| 944 | H | 88.8 | Confident | 85.1 | Confident | 105 Ų | 105 | 103.5 Ų | 103.5 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176.6 | -169.6 | 73.6 | 0 | 0 | 0 | 111.9 | T940 Q941 Q946 Q947 Q948 | T940-H944 WeakPolarHBondContact O-CB 3.49Å; T940-H944 PolarHBondContact O-N 2.69Å; Q941-H944 PolarHBondContact O-N 3.01Å; H944-Q946 PolarHBondContact O-N 3.14Å; H944-Q947 PolarHBondContact O-N 3.22Å; H944-Q948 PolarHBondContact CD2-NE2 3.31Å; H944-Q948 VanDerWaalsContact CD2-NE2 3.26Å; H944-Q948 PolarHBondContact NE2-NE2 3.17Å; H944-Q948 WeakPolarHBondContact O-CG 3.46Å; H944-Q948 PolarHBondContact O-N 3.47Å |
| 945 | Q | 87.3 | Confident | 84.8 | Confident | 95 Ų | 95 | 101.5 Ų | 101.5 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 174.9 | -168 | 178.4 | 34.7 | 0 | 0 | 111.7 | Q941 T942 Q948 L949 | Q941-Q945 WeakPolarHBondContact O-CB 3.39Å; Q941-Q945 PolarHBondContact O-N 2.9Å; T942-Q945 PolarHBondContact O-N 3.26Å; Q945-Q948 PolarHBondContact O-N 3.43Å; Q945-L949 WeakPolarHBondContact O-CB 3.36Å; Q945-L949 PolarHBondContact O-N 2.99Å |
| 946 | Q | 86.8 | Confident | 84.5 | Confident | 134 Ų | 134 | 102.9 Ų | 102.9 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.6 | -37.8 | 174.7 | -171.1 | 173.2 | 22.5 | 0 | 0 | 112.1 | T942 H943 H944 L949 M950 | T942-Q946 WeakPolarHBondContact O-CB 3.35Å; T942-Q946 PolarHBondContact O-N 3.48Å; H943-Q946 PolarHBondContact O-N 2.72Å; H944-Q946 PolarHBondContact O-N 3.14Å; Q946-L949 PolarHBondContact O-N 2.98Å; Q946-M950 VanDerWaalsContact O-CG 3.27Å; Q946-M950 WeakPolarHBondContact O-CG 3.44Å; Q946-M950 PolarHBondContact O-N 3.49Å |
| 947 | Q | 89.9 | Confident | 84.2 | Confident | 92 Ų | 92 | 101.7 Ų | 101.7 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 175.6 | -169.3 | 174.1 | 12.9 | 0 | 0 | 112 | H943 H944 M950 Q951 | H943-Q947 WeakPolarHBondContact O-CB 3.47Å; H943-Q947 PolarHBondContact O-N 3.22Å; H944-Q947 PolarHBondContact O-N 3.22Å; Q947-M950 PolarHBondContact O-N 3.36Å; Q947-Q951 WeakPolarHBondContact O-CG 3.33Å; Q947-Q951 PolarHBondContact O-N 2.87Å |
| 948 | Q | 88.4 | Confident | 83.7 | Confident | 87 Ų | 87 | 103 Ų | 103 | 41% | 0.407 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 170.9 | -72.3 | -176.8 | 3.1 | 0 | 0 | 111.7 | H944 Q945 M950 Q951 Q952 | H944-Q948 PolarHBondContact CD2-NE2 3.31Å; H944-Q948 VanDerWaalsContact CD2-NE2 3.26Å; H944-Q948 PolarHBondContact NE2-NE2 3.17Å; H944-Q948 WeakPolarHBondContact O-CG 3.46Å; H944-Q948 PolarHBondContact O-N 3.47Å; Q945-Q948 PolarHBondContact O-N 3.43Å; Q948-M950 PolarHBondContact O-N 3.35Å; Q948-Q951 PolarHBondContact O-N 3.39Å; Q948-Q952 WeakPolarHBondContact O-CG 3.4Å; Q948-Q952 PolarHBondContact O-N 2.95Å |
| 949 | L | 85.5 | Confident | 83 | Confident | 91 Ų | 91 | 106.7 Ų | 106.7 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 176.9 | -117.7 | 162.7 | 0 | 0 | 0 | 112.2 | Q945 Q946 Q952 H953 | Q945-L949 WeakPolarHBondContact O-CB 3.36Å; Q945-L949 PolarHBondContact O-N 2.99Å; Q946-L949 PolarHBondContact O-N 2.98Å; L949-Q952 PolarHBondContact O-N 3.39Å; L949-H953 WeakPolarHBondContact O-CB 3.43Å; L949-H953 PolarHBondContact O-N 2.94Å |
| 950 | M | 82.1 | Confident | 81.5 | Confident | 132 Ų | 132 | 106.6 Ų | 106.6 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 172.1 | -72 | -93.4 | -73.3 | 0 | 0 | 112 | Q946 Q947 Q948 S954 | Q946-M950 VanDerWaalsContact O-CG 3.27Å; Q946-M950 WeakPolarHBondContact O-CG 3.44Å; Q946-M950 PolarHBondContact O-N 3.49Å; Q947-M950 PolarHBondContact O-N 3.36Å; Q948-M950 PolarHBondContact O-N 3.35Å; M950-S954 WeakPolarHBondContact O-CB 3.39Å; M950-S954 PolarHBondContact O-N 3.04Å; M950-S954 PolarHBondContact O-OG 3.48Å |
| 951 | Q | 86.9 | Confident | 79.7 | Confident | 118 Ų | 118 | 104.2 Ų | 104.2 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 175.8 | -72.7 | 172 | -8.8 | 0 | 0 | 112.1 | Q947 Q948 S954 A955 | Q947-Q951 WeakPolarHBondContact O-CG 3.33Å; Q947-Q951 PolarHBondContact O-N 2.87Å; Q948-Q951 PolarHBondContact O-N 3.39Å; Q951-S954 WeakPolarHBondContact O-CB 3.32Å; Q951-S954 PolarHBondContact O-N 3.43Å; Q951-A955 WeakPolarHBondContact O-CB 3.47Å; Q951-A955 PolarHBondContact O-N 3.07Å |
| 952 | Q | 84.6 | Confident | 77.6 | Confident | 120 Ų | 120 | 105.5 Ų | 105.5 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 175.5 | -74.6 | -178 | -5.8 | 0 | 0 | 112.3 | Q948 L949 S954 A955 M956 | Q948-Q952 WeakPolarHBondContact O-CG 3.4Å; Q948-Q952 PolarHBondContact O-N 2.95Å; L949-Q952 PolarHBondContact O-N 3.39Å; Q952-S954 VanDerWaalsContact C-N 3.31Å; Q952-S954 PolarHBondContact O-N 3.21Å; Q952-A955 PolarHBondContact O-N 3.18Å; Q952-M956 WeakPolarHBondContact O-CB 3.49Å; Q952-M956 PolarHBondContact O-N 2.97Å |
| 953 | H | 80.9 | Confident | 75.7 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 174.7 | -170.8 | -91.1 | 0 | 0 | 0 | 111.6 | L949 M956 L957 | L949-H953 WeakPolarHBondContact O-CB 3.43Å; L949-H953 PolarHBondContact O-N 2.94Å; H953-M956 PolarHBondContact O-N 3.04Å; H953-L957 WeakPolarHBondContact O-CG 3.45Å; H953-L957 PolarHBondContact O-N 3.04Å; H953-L957 VanDerWaalsContact O-N 3.08Å |
| 954 | S | 84.1 | Confident | 73.5 | Confident | 63 Ų | 63 | 107.9 Ų | 107.9 | 44% | 0.441 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.1 | -42.1 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | M950 Q951 Q952 L957 Q958 | M950-S954 WeakPolarHBondContact O-CB 3.39Å; M950-S954 PolarHBondContact O-N 3.04Å; M950-S954 PolarHBondContact O-OG 3.48Å; Q951-S954 WeakPolarHBondContact O-CB 3.32Å; Q951-S954 PolarHBondContact O-N 3.43Å; Q952-S954 VanDerWaalsContact C-N 3.31Å; Q952-S954 PolarHBondContact O-N 3.21Å; S954-L957 PolarHBondContact O-N 3.39Å; S954-Q958 WeakPolarHBondContact O-CG 3.3Å; S954-Q958 PolarHBondContact O-N 2.98Å; S954-Q958 VanDerWaalsContact O-N 3.13Å |
| 955 | A | 80.8 | Confident | 71.1 | Confident | 41 Ų | 41 | 108.4 Ų | 108.4 | 34% | 0.339 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.2 | -36.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q951 Q952 Q958 Q959 | Q951-A955 WeakPolarHBondContact O-CB 3.47Å; Q951-A955 PolarHBondContact O-N 3.07Å; Q952-A955 PolarHBondContact O-N 3.18Å; A955-Q958 PolarHBondContact O-N 3.21Å; A955-Q959 WeakPolarHBondContact O-CG 3.48Å; A955-Q959 PolarHBondContact O-N 3.44Å |
| 956 | M | 75.2 | Confident | 68.9 | Low | 94 Ų | 94 | 108.2 Ų | 108.2 | 46% | 0.463 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.8 | -42.8 | 174.2 | -171 | -165.2 | -56.4 | 0 | 0 | 111.4 | Q952 H953 Q958 Q959 Q960 | Q952-M956 WeakPolarHBondContact O-CB 3.49Å; Q952-M956 PolarHBondContact O-N 2.97Å; H953-M956 PolarHBondContact O-N 3.04Å; M956-Q958 VanDerWaalsContact C-N 3.33Å; M956-Q958 PolarHBondContact O-N 3.1Å; M956-Q959 PolarHBondContact O-N 3.22Å; M956-Q960 WeakPolarHBondContact O-CG 3.45Å; M956-Q960 PolarHBondContact O-N 3.19Å; M956-Q960 VanDerWaalsContact O-N 3.09Å |
| 957 | L | 77.8 | Confident | 66.8 | Low | 92 Ų | 92 | 110.4 Ų | 110.4 | 48% | 0.482 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -37.9 | 175.2 | -70.6 | 170.5 | 0 | 0 | 0 | 112 | H953 S954 Q960 | H953-L957 WeakPolarHBondContact O-CG 3.45Å; H953-L957 PolarHBondContact O-N 3.04Å; H953-L957 VanDerWaalsContact O-N 3.08Å; S954-L957 PolarHBondContact O-N 3.39Å; L957-Q960 PolarHBondContact O-N 3.35Å |
| 958 | Q | 76.3 | Confident | 64.4 | Low | 145 Ų | 145 | 111.3 Ų | 111.3 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.8 | -38.4 | 173.2 | -71.4 | 172.6 | -12.6 | 0 | 0 | 112.3 | S954 A955 M956 Q960 | S954-Q958 WeakPolarHBondContact O-CG 3.3Å; S954-Q958 PolarHBondContact O-N 2.98Å; S954-Q958 VanDerWaalsContact O-N 3.13Å; A955-Q958 PolarHBondContact O-N 3.21Å; M956-Q958 VanDerWaalsContact C-N 3.33Å; M956-Q958 PolarHBondContact O-N 3.1Å; Q958-Q960 VanDerWaalsContact C-N 3.3Å; Q958-Q960 PolarHBondContact O-N 3.32Å |
| 959 | Q | 67.1 | Low | 62 | Low | 174 Ų | 174 | 110.5 Ų | 110.5 | 81% | 0.813 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.2 | -18.7 | 176.3 | -72.5 | -177.3 | -0.4 | 0 | 0 | 113.9 | A955 M956 G961 | A955-Q959 WeakPolarHBondContact O-CG 3.48Å; A955-Q959 PolarHBondContact O-N 3.44Å; M956-Q959 PolarHBondContact O-N 3.22Å; Q959-G961 PolarHBondContact O-N 2.96Å |
| 960 | Q | 54.1 | Low | 59.7 | Low | 119 Ų | 119 | 112.8 Ų | 112.8 | 56% | 0.556 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 12.5 | 177.8 | -74.3 | 177.4 | 10.7 | 0 | 0 | 114.1 | M956 L957 Q958 L962 | M956-Q960 WeakPolarHBondContact O-CG 3.45Å; M956-Q960 PolarHBondContact O-N 3.19Å; M956-Q960 VanDerWaalsContact O-N 3.09Å; L957-Q960 PolarHBondContact O-N 3.35Å; Q958-Q960 VanDerWaalsContact C-N 3.3Å; Q958-Q960 PolarHBondContact O-N 3.32Å; Q960-L962 PolarHBondContact O-N 3.34Å; Q960-L962 VanDerWaalsContact O-N 3.08Å |
| 961 | G | 44.7 | Very low | 57.4 | Low | 50 Ų | 50 | 111.5 Ų | 111.5 | 52% | 0.515 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 73.7 | -2.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116 | Q959 I963 | Q959-G961 PolarHBondContact O-N 2.96Å; G961-I963 PolarHBondContact O-N 3.21Å; G961-I963 VanDerWaalsContact O-N 3.13Å |
| 962 | L | 41.6 | Very low | 54.9 | Low | 153 Ų | 153 | 112.4 Ų | 112.4 | 80% | 0.801 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -87.3 | 43.6 | 179.2 | -67.1 | 176.7 | 0 | 0 | 0 | 113.1 | Q960 | Q960-L962 PolarHBondContact O-N 3.34Å; Q960-L962 VanDerWaalsContact O-N 3.08Å |
| 963 | I | 41.4 | Very low | 52.4 | Low | 142 Ų | 142 | 111.2 Ų | 111.2 | 73% | 0.728 | 67% | 0.673 | S | S | * | * | trans | -170.8 | 113.9 | 155 | -90.1 | 139.4 | 0 | 0 | 0 | 105.7 | G961 | G961-I963 PolarHBondContact O-N 3.21Å; G961-I963 VanDerWaalsContact O-N 3.13Å | ||
| 964 | S | 39.9 | Very low | 50.2 | Low | 110 Ų | 110 | 110.3 Ų | 110.3 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -97.2 | 124.1 | 170.5 | -66.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 965 | P | 38.3 | Very low | 47.8 | Very low | 116 Ų | 116 | 116.4 Ų | 116.4 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | trans | -79.2 | 140.8 | 178.1 | 31.9 | -33.7 | 0 | 0 | 0 | 111.4 | ||||
| 966 | A | 40.5 | Very low | 45.5 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | trans | -129.7 | 117.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 967 | H | 43 | Very low | 43.5 | Very low | 180 Ų | 180 | 121 Ų | 121 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | trans | -5.7 | 148.1 | 147.5 | -53.7 | -81.9 | 0 | 0 | 0 | 118.3 | ||||
| 968 | S | 39.7 | Very low | 41.5 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | cis | -176.7 | 145.7 | -4.3 | 44.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 969 | G | 37.2 | Very low | 39.9 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | 77.1 | 158.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 970 | T | 37.4 | Very low | 38.1 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | cis | -158.1 | 154.6 | -4.7 | -19.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 971 | S | 35 | Very low | 37.2 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | 58.3 | 113.9 | 157 | -110.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 972 | V | 33.9 | Very low | 36.7 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | 35 | 124.9 | 146.6 | -74.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 973 | A | 31.8 | Very low | 36.4 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | 74.8 | 112.3 | 128.7 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 974 | A | 33.6 | Very low | 36.1 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 87.8 | 157.3 | 137 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 975 | F | 33.6 | Very low | 35.9 | Very low | 191 Ų | 191 | 126.8 Ų | 126.8 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | 61.1 | 89.8 | 165.6 | -73.3 | -74.6 | 0 | 0 | 0 | 121.1 | ||||
| 976 | S | 34.5 | Very low | 36.2 | Very low | 87 Ų | 87 | 128.3 Ų | 128.3 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | 74.8 | 127.9 | 110.2 | 69.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 977 | L | 32 | Very low | 36.1 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | 69.4 | 118.3 | 134.7 | -65.3 | 167.6 | 0 | 0 | 0 | 120.7 | ||||
| 978 | F | 36.6 | Very low | 36 | Very low | 181 Ų | 181 | 124.7 Ų | 124.7 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 69.8 | 159.8 | 150.4 | -80.4 | -118.5 | 0 | 0 | 0 | 117.4 | ||||
| 979 | P | 41.8 | Very low | 36.1 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 61% | 0.61 | 78% | 0.78 | S | S | * | * | cis | -138.7 | -178.4 | -40 | 38.7 | -22.5 | 0 | 0 | 0 | 114.3 | ||||
| 980 | Q | 30.5 | Very low | 36.5 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | 14.7 | 108.2 | 146.7 | -64.6 | 160.3 | -88.6 | 0 | 0 | 119 | ||||
| 981 | A | 34.6 | Very low | 37.2 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -137.3 | 137.3 | 142 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 982 | A | 34.3 | Very low | 37.9 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -133.7 | 163.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 983 | A | 34 | Very low | 38.6 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | 64 | 89.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 984 | Q | 35.5 | Very low | 39.6 | Very low | 168 Ų | 168 | 130 Ų | 130 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | -134 | 159.1 | 127.5 | -68.3 | -162.4 | -6 | 0 | 0 | 109.8 | |||||
| 985 | F | 36.4 | Very low | 40.3 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 75.1 | 102 | 172.3 | -60.1 | -78.9 | 0 | 0 | 0 | 120.8 | ||
| 986 | I | 45.1 | Very low | 41.3 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | 59.9 | 99.8 | 137.4 | -47.3 | 171.8 | 0 | 0 | 0 | 118.4 | ||||
| 987 | P | 37.5 | Very low | 42.2 | Very low | 136 Ų | 136 | 121.7 Ų | 121.7 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | trans | -90.4 | 117.5 | 169.2 | 33.6 | -30.2 | 0 | 0 | 0 | 112.9 | ||||
| 988 | G | 39.9 | Very low | 43.3 | Very low | 61 Ų | 61 | 117.7 Ų | 117.7 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | trans | -118 | 113.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 989 | V | 41.9 | Very low | 44.6 | Very low | 149 Ų | 149 | 112 Ų | 112 | 90% | 0.903 | 70% | 0.7 | S | S | * | * | trans | 46.4 | 75.9 | 158.3 | -162.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 990 | V | 47.4 | Very low | 45.6 | Very low | 118 Ų | 118 | 110.2 Ų | 110.2 | 72% | 0.715 | 69% | 0.692 | S | S | * | * | trans | -135.8 | 128.9 | 158.5 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 991 | P | 51.6 | Low | 47.3 | Very low | 83 Ų | 83 | 104.3 Ų | 104.3 | 54% | 0.539 | 68% | 0.675 | S | S | . | * | trans | -66.7 | 134.4 | 178.8 | -22.3 | 34.1 | 0 | 0 | 0 | 113.5 | Q993 Y994 | P991-Q993 PolarHBondContact O-N 3.42Å; P991-Y994 PolarHBondContact O-N 3.09Å; P991-Y994 VanDerWaalsContact O-N 3.15Å | ||
| 992 | A | 48.8 | Very low | 48.9 | Very low | 83 Ų | 83 | 101.8 Ų | 101.8 | 69% | 0.686 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -56.8 | -16.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y994 A995 A996 | A992-Y994 VanDerWaalsContact C-N 3.26Å; A992-Y994 PolarHBondContact O-N 3.31Å; A992-A995 PolarHBondContact O-N 3.45Å; A992-A996 PolarHBondContact O-N 2.99Å |
| 993 | Q | 49.5 | Very low | 50.5 | Low | 166 Ų | 166 | 99.7 Ų | 99.7 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.9 | -31.1 | 176.7 | -63.4 | 178.3 | 0.1 | 0 | 0 | 112.7 | P991 A997 | P991-Q993 PolarHBondContact O-N 3.42Å; Q993-A997 PolarHBondContact O-N 3.37Å |
| 994 | Y | 51.8 | Low | 52.3 | Low | 170 Ų | 170 | 101.7 Ų | 101.7 | 67% | 0.667 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -79.7 | -33.1 | 177.8 | -78.4 | -89.5 | 0 | 0 | 0 | 113.2 | P991 A992 A997 A998 | P991-Y994 PolarHBondContact O-N 3.09Å; P991-Y994 VanDerWaalsContact O-N 3.15Å; A992-Y994 VanDerWaalsContact C-N 3.26Å; A992-Y994 PolarHBondContact O-N 3.31Å; Y994-A997 PolarHBondContact O-N 3Å; Y994-A998 PolarHBondContact O-N 3.1Å |
| 995 | A | 49.8 | Very low | 54.3 | Low | 69 Ų | 69 | 96.5 Ų | 96.5 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | A992 A997 A998 A999 | A992-A995 PolarHBondContact O-N 3.45Å; A995-A997 VanDerWaalsContact C-N 3.34Å; A995-A997 PolarHBondContact O-N 3.23Å; A995-A998 PolarHBondContact O-N 3.36Å; A995-A999 PolarHBondContact O-N 3.1Å |
| 996 | A | 53.5 | Low | 56.2 | Low | 65 Ų | 65 | 92.5 Ų | 92.5 | 54% | 0.537 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.7 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | A992 A999 A1000 | A992-A996 PolarHBondContact O-N 2.99Å; A996-A999 PolarHBondContact O-N 2.92Å; A996-A1000 WeakPolarHBondContact O-CB 3.45Å; A996-A1000 PolarHBondContact O-N 3.26Å |
| 997 | A | 52.8 | Low | 57.9 | Low | 56 Ų | 56 | 90.4 Ų | 90.4 | 46% | 0.463 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q993 Y994 A995 A1000 A1001 | Q993-A997 PolarHBondContact O-N 3.37Å; Y994-A997 PolarHBondContact O-N 3Å; A995-A997 VanDerWaalsContact C-N 3.34Å; A995-A997 PolarHBondContact O-N 3.23Å; A997-A1000 PolarHBondContact O-N 3.21Å; A997-A1001 WeakPolarHBondContact O-CB 3.39Å; A997-A1001 PolarHBondContact O-N 3.18Å |
| 998 | A | 56.8 | Low | 59.9 | Low | 63 Ų | 63 | 90.3 Ų | 90.3 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.3 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y994 A995 A1001 A1002 | Y994-A998 PolarHBondContact O-N 3.1Å; A995-A998 PolarHBondContact O-N 3.36Å; A998-A1001 PolarHBondContact O-N 3.4Å; A998-A1002 PolarHBondContact O-N 3.38Å |
| 999 | A | 62.9 | Low | 61.9 | Low | 62 Ų | 62 | 92.8 Ų | 92.8 | 51% | 0.512 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.9 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A995 A996 A1002 A1003 | A995-A999 PolarHBondContact O-N 3.1Å; A996-A999 PolarHBondContact O-N 2.92Å; A999-A1002 PolarHBondContact O-N 3.04Å; A999-A1003 PolarHBondContact O-N 2.97Å |
| 1000 | A | 63.5 | Low | 63.9 | Low | 55 Ų | 55 | 92.5 Ų | 92.5 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.3 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A996 A997 A1003 H1004 | A996-A1000 WeakPolarHBondContact O-CB 3.45Å; A996-A1000 PolarHBondContact O-N 3.26Å; A997-A1000 PolarHBondContact O-N 3.21Å; A1000-A1003 PolarHBondContact O-N 2.72Å; A1000-H1004 WeakPolarHBondContact O-CB 3.45Å; A1000-H1004 PolarHBondContact O-N 3.25Å |
| 1001 | A | 65.4 | Low | 65.7 | Low | 61 Ų | 61 | 91.9 Ų | 91.9 | 50% | 0.504 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A997 A998 H1004 S1005 | A997-A1001 WeakPolarHBondContact O-CB 3.39Å; A997-A1001 PolarHBondContact O-N 3.18Å; A998-A1001 PolarHBondContact O-N 3.4Å; A1001-H1004 PolarHBondContact O-N 3.35Å; A1001-S1005 WeakPolarHBondContact O-CB 3.35Å; A1001-S1005 PolarHBondContact O-N 3.14Å |
| 1002 | A | 68.6 | Low | 67.2 | Low | 56 Ų | 56 | 93.7 Ų | 93.7 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A998 A999 H1004 S1005 T1006 | A998-A1002 PolarHBondContact O-N 3.38Å; A999-A1002 PolarHBondContact O-N 3.04Å; A1002-H1004 VanDerWaalsContact C-N 3.35Å; A1002-H1004 PolarHBondContact O-N 2.95Å; A1002-S1005 WeakPolarHBondContact O-CB 3.41Å; A1002-S1005 PolarHBondContact O-N 3.45Å; A1002-S1005 VanDerWaalsContact O-N 3.16Å; A1002-T1006 PolarHBondContact O-N 2.97Å; A1002-T1006 PolarHBondContact O-OG1 3.38Å |
| 1003 | A | 67.4 | Low | 69 | Low | 57 Ų | 57 | 93.2 Ų | 93.2 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A999 A1000 T1006 H1007 | A999-A1003 PolarHBondContact O-N 2.97Å; A1000-A1003 PolarHBondContact O-N 2.72Å; A1003-T1006 PolarHBondContact O-OG1 3.32Å; A1003-T1006 VanDerWaalsContact O-OG1 3.11Å; A1003-H1007 WeakPolarHBondContact O-CB 3.47Å; A1003-H1007 PolarHBondContact O-N 3.36Å |
| 1004 | H | 71.5 | Confident | 70.6 | Confident | 137 Ų | 137 | 89.4 Ų | 89.4 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -40.4 | 172.4 | -113.2 | -78.4 | 0 | 0 | 0 | 112.1 | A1000 A1001 A1002 Q1008 | A1000-H1004 WeakPolarHBondContact O-CB 3.45Å; A1000-H1004 PolarHBondContact O-N 3.25Å; A1001-H1004 PolarHBondContact O-N 3.35Å; A1002-H1004 VanDerWaalsContact C-N 3.35Å; A1002-H1004 PolarHBondContact O-N 2.95Å; H1004-Q1008 VanDerWaalsContact O-CB 3.29Å; H1004-Q1008 WeakPolarHBondContact O-CB 3.35Å; H1004-Q1008 PolarHBondContact O-N 3.48Å |
| 1005 | S | 77.2 | Confident | 72.2 | Confident | 60 Ų | 60 | 86.8 Ų | 86.8 | 42% | 0.42 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 178.2 | -170 | 0 | 0 | 0 | 0 | 112.1 | A1001 A1002 Q1008 Q1009 | A1001-S1005 WeakPolarHBondContact O-CB 3.35Å; A1001-S1005 PolarHBondContact O-N 3.14Å; A1002-S1005 WeakPolarHBondContact O-CB 3.41Å; A1002-S1005 PolarHBondContact O-N 3.45Å; A1002-S1005 VanDerWaalsContact O-N 3.16Å; S1005-Q1008 PolarHBondContact O-N 3.39Å; S1005-Q1009 WeakPolarHBondContact O-CG 3.4Å; S1005-Q1009 PolarHBondContact O-N 3.29Å |
| 1006 | T | 77 | Confident | 73.9 | Confident | 89 Ų | 89 | 89.5 Ų | 89.5 | 55% | 0.546 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 177.3 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | A1002 A1003 Q1009 Y1010 | A1002-T1006 PolarHBondContact O-N 2.97Å; A1002-T1006 PolarHBondContact O-OG1 3.38Å; A1003-T1006 PolarHBondContact O-OG1 3.32Å; A1003-T1006 VanDerWaalsContact O-OG1 3.11Å; T1006-Q1009 PolarHBondContact O-N 3.3Å; T1006-Y1010 WeakPolarHBondContact O-CB 3.4Å; T1006-Y1010 PolarHBondContact O-N 3.11Å |
| 1007 | H | 81 | Confident | 75.3 | Confident | 103 Ų | 103 | 91.8 Ų | 91.8 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 173.1 | -173.1 | 73.1 | 0 | 0 | 0 | 112.3 | A1003 Y1010 M1011 | A1003-H1007 WeakPolarHBondContact O-CB 3.47Å; A1003-H1007 PolarHBondContact O-N 3.36Å; H1007-Y1010 PolarHBondContact O-N 2.93Å; H1007-M1011 WeakPolarHBondContact NE2-CE 3.35Å; H1007-M1011 WeakPolarHBondContact O-CG 3.49Å; H1007-M1011 PolarHBondContact O-N 3.48Å |
| 1008 | Q | 80.5 | Confident | 76.8 | Confident | 133 Ų | 133 | 97.1 Ų | 97.1 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.1 | -40.6 | 176.7 | -173 | 170.4 | -10.7 | 0 | 0 | 111.9 | H1004 S1005 M1011 Q1012 | H1004-Q1008 VanDerWaalsContact O-CB 3.29Å; H1004-Q1008 WeakPolarHBondContact O-CB 3.35Å; H1004-Q1008 PolarHBondContact O-N 3.48Å; S1005-Q1008 PolarHBondContact O-N 3.39Å; Q1008-M1011 PolarHBondContact O-N 3.21Å; Q1008-Q1012 WeakPolarHBondContact O-CB 3.45Å; Q1008-Q1012 PolarHBondContact O-N 3.15Å |
| 1009 | Q | 82.1 | Confident | 78 | Confident | 114 Ų | 114 | 98.6 Ų | 98.6 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 172.4 | -74.9 | 179.6 | -19 | 0 | 0 | 111.9 | S1005 T1006 M1011 Q1012 V1013 | S1005-Q1009 WeakPolarHBondContact O-CG 3.4Å; S1005-Q1009 PolarHBondContact O-N 3.29Å; T1006-Q1009 PolarHBondContact O-N 3.3Å; Q1009-M1011 PolarHBondContact O-N 3.28Å; Q1009-Q1012 PolarHBondContact O-N 3.39Å; Q1009-Q1012 VanDerWaalsContact O-N 3.12Å; Q1009-V1013 WeakPolarHBondContact O-CG2 3.39Å; Q1009-V1013 PolarHBondContact O-N 3.49Å |
| 1010 | Y | 83.4 | Confident | 78.7 | Confident | 142 Ų | 142 | 98.5 Ų | 98.5 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.4 | -46.6 | 176.3 | 178.2 | -95.1 | 0 | 0 | 0 | 112.1 | T1006 H1007 Q1012 V1013 Q1014 | T1006-Y1010 WeakPolarHBondContact O-CB 3.4Å; T1006-Y1010 PolarHBondContact O-N 3.11Å; H1007-Y1010 PolarHBondContact O-N 2.93Å; Y1010-Q1012 VanDerWaalsContact C-N 3.3Å; Y1010-Q1012 PolarHBondContact O-N 3.42Å; Y1010-V1013 PolarHBondContact O-N 3.16Å; Y1010-Q1014 HydrophobicContact CD1-CG 4.37Å; Y1010-Q1014 HydrophobicContact CE1-CG 3.96Å; Y1010-Q1014 WeakPolarHBondContact O-CG 3.42Å; Y1010-Q1014 PolarHBondContact O-N 2.93Å |
| 1011 | M | 84 | Confident | 79.3 | Confident | 106 Ų | 106 | 98.8 Ų | 98.8 | 52% | 0.522 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 174.1 | -75.5 | -71.3 | -168.8 | 0 | 0 | 112.6 | H1007 Q1008 Q1009 H1015 | H1007-M1011 WeakPolarHBondContact NE2-CE 3.35Å; H1007-M1011 WeakPolarHBondContact O-CG 3.49Å; H1007-M1011 PolarHBondContact O-N 3.48Å; Q1008-M1011 PolarHBondContact O-N 3.21Å; Q1009-M1011 PolarHBondContact O-N 3.28Å; M1011-H1015 WeakPolarHBondContact O-CB 3.4Å; M1011-H1015 PolarHBondContact O-N 2.98Å |
| 1012 | Q | 84.3 | Confident | 79.7 | Confident | 120 Ų | 120 | 98.2 Ų | 98.2 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.4 | -38.6 | 179.5 | -165.3 | 168.9 | 6.7 | 0 | 0 | 112.3 | Q1008 Q1009 Y1010 H1015 Q1016 | Q1008-Q1012 WeakPolarHBondContact O-CB 3.45Å; Q1008-Q1012 PolarHBondContact O-N 3.15Å; Q1009-Q1012 PolarHBondContact O-N 3.39Å; Q1009-Q1012 VanDerWaalsContact O-N 3.12Å; Y1010-Q1012 VanDerWaalsContact C-N 3.3Å; Y1010-Q1012 PolarHBondContact O-N 3.42Å; Q1012-H1015 PolarHBondContact O-N 3.49Å; Q1012-Q1016 PolarHBondContact O-N 3.36Å |
| 1013 | V | 86 | Confident | 79.9 | Confident | 73 Ų | 73 | 98.4 Ų | 98.4 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 172.8 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | Q1009 Y1010 H1015 Q1016 Q1017 | Q1009-V1013 WeakPolarHBondContact O-CG2 3.39Å; Q1009-V1013 PolarHBondContact O-N 3.49Å; Y1010-V1013 PolarHBondContact O-N 3.16Å; V1013-H1015 VanDerWaalsContact C-N 3.29Å; V1013-H1015 PolarHBondContact O-N 3.36Å; V1013-Q1016 PolarHBondContact O-N 3.49Å; V1013-Q1017 WeakPolarHBondContact O-CG 3.41Å; V1013-Q1017 PolarHBondContact O-N 3.35Å |
| 1014 | Q | 83 | Confident | 80 | Confident | 87 Ų | 87 | 98.3 Ų | 98.3 | 41% | 0.407 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | 173.9 | -77.1 | -67.3 | -60 | 0 | 0 | 111.9 | Y1010 Q1017 Y1018 | Y1010-Q1014 HydrophobicContact CD1-CG 4.37Å; Y1010-Q1014 HydrophobicContact CE1-CG 3.96Å; Y1010-Q1014 WeakPolarHBondContact O-CG 3.42Å; Y1010-Q1014 PolarHBondContact O-N 2.93Å; Q1014-Q1017 VanDerWaalsContact NE2-OE1 3.12Å; Q1014-Q1017 PolarHBondContact O-N 3Å; Q1014-Y1018 PolarHBondContact O-N 3.01Å |
| 1015 | H | 85.8 | Confident | 79.8 | Confident | 114 Ų | 114 | 94.4 Ų | 94.4 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 176.3 | -169.3 | 51.2 | 0 | 0 | 0 | 112.6 | M1011 Q1012 V1013 Y1018 L1019 | M1011-H1015 WeakPolarHBondContact O-CB 3.4Å; M1011-H1015 PolarHBondContact O-N 2.98Å; Q1012-H1015 PolarHBondContact O-N 3.49Å; V1013-H1015 VanDerWaalsContact C-N 3.29Å; V1013-H1015 PolarHBondContact O-N 3.36Å; H1015-Y1018 PolarHBondContact O-N 2.97Å; H1015-L1019 WeakPolarHBondContact O-CG 3.44Å; H1015-L1019 PolarHBondContact O-N 3.33Å |
| 1016 | Q | 84.4 | Confident | 79 | Confident | 126 Ų | 126 | 94.1 Ų | 94.1 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -40.6 | 173.5 | -80.5 | -175.2 | -29.8 | 0 | 0 | 112.6 | Q1012 V1013 Y1018 L1019 A1020 | Q1012-Q1016 PolarHBondContact O-N 3.36Å; V1013-Q1016 PolarHBondContact O-N 3.49Å; Q1016-Y1018 PolarHBondContact O-N 3.35Å; Q1016-L1019 PolarHBondContact O-N 3.12Å; Q1016-A1020 WeakPolarHBondContact O-CB 3.35Å; Q1016-A1020 PolarHBondContact O-N 2.91Å |
| 1017 | Q | 84.7 | Confident | 78 | Confident | 113 Ų | 113 | 92.4 Ų | 92.4 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 174.9 | -75 | -178.4 | -19.8 | 0 | 0 | 111.8 | V1013 Q1014 A1020 A1021 | V1013-Q1017 WeakPolarHBondContact O-CG 3.41Å; V1013-Q1017 PolarHBondContact O-N 3.35Å; Q1014-Q1017 VanDerWaalsContact NE2-OE1 3.12Å; Q1014-Q1017 PolarHBondContact O-N 3Å; Q1017-A1020 PolarHBondContact O-N 3.19Å; Q1017-A1021 WeakPolarHBondContact O-CB 3.44Å; Q1017-A1021 PolarHBondContact O-N 3.46Å |
| 1018 | Y | 82.4 | Confident | 76.7 | Confident | 169 Ų | 169 | 92.4 Ų | 92.4 | 66% | 0.663 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -43 | 175.2 | -173.7 | -96.5 | 0 | 0 | 0 | 112.5 | Q1014 H1015 Q1016 A1021 A1022 | Q1014-Y1018 PolarHBondContact O-N 3.01Å; H1015-Y1018 PolarHBondContact O-N 2.97Å; Q1016-Y1018 PolarHBondContact O-N 3.35Å; Y1018-A1021 PolarHBondContact O-N 2.87Å; Y1018-A1022 WeakPolarHBondContact O-CB 3.43Å; Y1018-A1022 PolarHBondContact O-N 2.96Å |
| 1019 | L | 83.1 | Confident | 75.4 | Confident | 93 Ų | 93 | 91.1 Ų | 91.1 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 176 | -73.9 | 171.2 | 0 | 0 | 0 | 112.3 | H1015 Q1016 A1022 A1023 | H1015-L1019 WeakPolarHBondContact O-CG 3.44Å; H1015-L1019 PolarHBondContact O-N 3.33Å; Q1016-L1019 PolarHBondContact O-N 3.12Å; L1019-A1022 PolarHBondContact O-N 3.45Å; L1019-A1023 WeakPolarHBondContact O-CB 3.45Å; L1019-A1023 PolarHBondContact O-N 3.22Å |
| 1020 | A | 78.2 | Confident | 74 | Confident | 61 Ų | 61 | 90.1 Ų | 90.1 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1016 Q1017 A1023 A1024 | Q1016-A1020 WeakPolarHBondContact O-CB 3.35Å; Q1016-A1020 PolarHBondContact O-N 2.91Å; Q1017-A1020 PolarHBondContact O-N 3.19Å; A1020-A1023 PolarHBondContact O-N 3.39Å; A1020-A1024 WeakPolarHBondContact O-CB 3.47Å; A1020-A1024 PolarHBondContact O-N 2.91Å |
| 1021 | A | 75.6 | Confident | 72.5 | Confident | 61 Ų | 61 | 88.2 Ų | 88.2 | 50% | 0.504 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1017 Y1018 A1024 A1025 | Q1017-A1021 WeakPolarHBondContact O-CB 3.44Å; Q1017-A1021 PolarHBondContact O-N 3.46Å; Y1018-A1021 PolarHBondContact O-N 2.87Å; A1021-A1024 PolarHBondContact O-N 3.06Å; A1021-A1025 WeakPolarHBondContact O-CB 3.41Å; A1021-A1025 PolarHBondContact O-N 3.22Å |
| 1022 | A | 74 | Confident | 70.6 | Confident | 48 Ų | 48 | 87.6 Ų | 87.6 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1018 L1019 A1025 A1026 | Y1018-A1022 WeakPolarHBondContact O-CB 3.43Å; Y1018-A1022 PolarHBondContact O-N 2.96Å; L1019-A1022 PolarHBondContact O-N 3.45Å; A1022-A1025 PolarHBondContact O-N 2.88Å; A1022-A1026 WeakPolarHBondContact O-CB 3.48Å; A1022-A1026 PolarHBondContact O-N 3.38Å |
| 1023 | A | 72.2 | Confident | 68.3 | Low | 60 Ų | 60 | 86.5 Ų | 86.5 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1019 A1020 A1026 A1027 | L1019-A1023 WeakPolarHBondContact O-CB 3.45Å; L1019-A1023 PolarHBondContact O-N 3.22Å; A1020-A1023 PolarHBondContact O-N 3.39Å; A1023-A1026 PolarHBondContact O-N 3.1Å; A1023-A1027 WeakPolarHBondContact O-CB 3.45Å; A1023-A1027 PolarHBondContact O-N 3.13Å |
| 1024 | A | 70.3 | Confident | 66.2 | Low | 55 Ų | 55 | 88.5 Ų | 88.5 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.9 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1020 A1021 A1026 A1027 V1028 | A1020-A1024 WeakPolarHBondContact O-CB 3.47Å; A1020-A1024 PolarHBondContact O-N 2.91Å; A1021-A1024 PolarHBondContact O-N 3.06Å; A1024-A1026 VanDerWaalsContact C-N 3.35Å; A1024-A1026 PolarHBondContact O-N 3.14Å; A1024-A1027 PolarHBondContact O-N 3.16Å; A1024-V1028 WeakPolarHBondContact O-CG2 3.38Å; A1024-V1028 PolarHBondContact O-N 3.2Å |
| 1025 | A | 66.5 | Low | 64.2 | Low | 56 Ų | 56 | 90.4 Ų | 90.4 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.8 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A1021 A1022 V1028 V1029 | A1021-A1025 WeakPolarHBondContact O-CB 3.41Å; A1021-A1025 PolarHBondContact O-N 3.22Å; A1022-A1025 PolarHBondContact O-N 2.88Å; A1025-V1028 PolarHBondContact O-N 3.49Å; A1025-V1029 WeakPolarHBondContact O-CB 3.42Å; A1025-V1029 VanDerWaalsContact O-CG2 3.31Å; A1025-V1029 WeakPolarHBondContact O-CG2 3.45Å; A1025-V1029 PolarHBondContact O-N 3.07Å |
| 1026 | A | 59.8 | Low | 61.8 | Low | 53 Ų | 53 | 90.7 Ų | 90.7 | 44% | 0.438 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.7 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1022 A1023 A1024 V1029 S1030 | A1022-A1026 WeakPolarHBondContact O-CB 3.48Å; A1022-A1026 PolarHBondContact O-N 3.38Å; A1023-A1026 PolarHBondContact O-N 3.1Å; A1024-A1026 VanDerWaalsContact C-N 3.35Å; A1024-A1026 PolarHBondContact O-N 3.14Å; A1026-V1029 PolarHBondContact O-N 3.18Å; A1026-S1030 VanDerWaalsContact O-CB 3.3Å; A1026-S1030 WeakPolarHBondContact O-CB 3.36Å; A1026-S1030 PolarHBondContact O-N 3.48Å; A1026-S1030 PolarHBondContact O-OG 3.37Å |
| 1027 | A | 55.8 | Low | 59.7 | Low | 53 Ų | 53 | 89.8 Ų | 89.8 | 44% | 0.438 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.3 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1023 A1024 S1030 S1031 | A1023-A1027 WeakPolarHBondContact O-CB 3.45Å; A1023-A1027 PolarHBondContact O-N 3.13Å; A1024-A1027 PolarHBondContact O-N 3.16Å; A1027-S1030 PolarHBondContact O-N 3.38Å; A1027-S1031 WeakPolarHBondContact O-CB 3.47Å; A1027-S1031 PolarHBondContact O-N 3.25Å; A1027-S1031 VanDerWaalsContact O-N 3.14Å; A1027-S1031 PolarHBondContact O-OG 3.49Å |
| 1028 | V | 55.1 | Low | 57.4 | Low | 103 Ų | 103 | 89.5 Ų | 89.5 | 62% | 0.624 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.4 | -44.4 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 111 | A1024 A1025 S1030 S1031 S1032 | A1024-V1028 WeakPolarHBondContact O-CG2 3.38Å; A1024-V1028 PolarHBondContact O-N 3.2Å; A1025-V1028 PolarHBondContact O-N 3.49Å; V1028-S1030 VanDerWaalsContact C-N 3.31Å; V1028-S1030 PolarHBondContact O-N 3.15Å; V1028-S1031 PolarHBondContact O-N 3.3Å; V1028-S1032 PolarHBondContact O-OG 3.18Å |
| 1029 | V | 53.5 | Low | 55.3 | Low | 107 Ų | 107 | 87.8 Ų | 87.8 | 65% | 0.648 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.1 | -28.8 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 112.5 | A1025 A1026 S1031 S1032 | A1025-V1029 WeakPolarHBondContact O-CB 3.42Å; A1025-V1029 VanDerWaalsContact O-CG2 3.31Å; A1025-V1029 WeakPolarHBondContact O-CG2 3.45Å; A1025-V1029 PolarHBondContact O-N 3.07Å; A1026-V1029 PolarHBondContact O-N 3.18Å; V1029-S1031 VanDerWaalsContact C-N 3.29Å; V1029-S1032 PolarHBondContact O-OG 3.21Å |
| 1030 | S | 51.9 | Low | 53.2 | Low | 92 Ų | 92 | 88.5 Ų | 88.5 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.2 | -10.7 | 176.1 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | A1026 A1027 V1028 | A1026-S1030 VanDerWaalsContact O-CB 3.3Å; A1026-S1030 WeakPolarHBondContact O-CB 3.36Å; A1026-S1030 PolarHBondContact O-N 3.48Å; A1026-S1030 PolarHBondContact O-OG 3.37Å; A1027-S1030 PolarHBondContact O-N 3.38Å; V1028-S1030 VanDerWaalsContact C-N 3.31Å; V1028-S1030 PolarHBondContact O-N 3.15Å |
| 1031 | S | 51.9 | Low | 51.2 | Low | 103 Ų | 103 | 93 Ų | 93 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -7.8 | -177.6 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | A1027 V1028 V1029 | A1027-S1031 WeakPolarHBondContact O-CB 3.47Å; A1027-S1031 PolarHBondContact O-N 3.25Å; A1027-S1031 VanDerWaalsContact O-N 3.14Å; A1027-S1031 PolarHBondContact O-OG 3.49Å; V1028-S1031 PolarHBondContact O-N 3.3Å; V1029-S1031 VanDerWaalsContact C-N 3.29Å |
| 1032 | S | 43.9 | Very low | 49.2 | Very low | 93 Ų | 93 | 98 Ų | 98 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -109.6 | 27.7 | -166.8 | 55.4 | 0 | 0 | 0 | 0 | 114.8 | V1028 V1029 | V1028-S1032 PolarHBondContact O-OG 3.18Å; V1029-S1032 PolarHBondContact O-OG 3.21Å |
| 1033 | S | 36.4 | Very low | 47.1 | Very low | 97 Ų | 97 | 101 Ų | 101 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | trans | -133.1 | 37.2 | -168.5 | 69.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1034 | S | 42.6 | Very low | 45.3 | Very low | 115 Ų | 115 | 106.3 Ų | 106.3 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | trans | -163.8 | 85.2 | 170.8 | 59.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1035 | S | 40.7 | Very low | 43.5 | Very low | 127 Ų | 127 | 109.4 Ų | 109.4 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | trans | -171.6 | 143.8 | 149 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1036 | S | 35.6 | Very low | 41.9 | Very low | 119 Ų | 119 | 113.9 Ų | 113.9 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -148.7 | 105.3 | -175.6 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1037 | S | 39.3 | Very low | 40.7 | Very low | 107 Ų | 107 | 115.4 Ų | 115.4 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -173.4 | 106.8 | 158.7 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1038 | S | 36.6 | Very low | 39.8 | Very low | 107 Ų | 107 | 119 Ų | 119 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 40.6 | 143.6 | 133.7 | 62.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1039 | V | 38.9 | Very low | 38.8 | Very low | 134 Ų | 134 | 118.2 Ų | 118.2 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | 94.6 | 128.7 | 159.3 | -166.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1040 | P | 39.4 | Very low | 38.1 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | trans | -111.9 | 175 | -173.8 | 42.8 | -35.6 | 0 | 0 | 0 | 114.6 | ||||
| 1041 | I | 34.6 | Very low | 37.2 | Very low | 156 Ų | 156 | 124.9 Ų | 124.9 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | -178 | 135.6 | 132 | -95 | 154.5 | 0 | 0 | 0 | 111.9 | ||||
| 1042 | H | 33.8 | Very low | 36.5 | Very low | 165 Ų | 165 | 128 Ų | 128 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 20.3 | 121.6 | 158.1 | -65.4 | -112.2 | 0 | 0 | 0 | 122.9 | ||||
| 1043 | S | 30.5 | Very low | 35.9 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | 43 | 119.5 | 128.2 | -51.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1044 | L | 34.7 | Very low | 36 | Very low | 171 Ų | 171 | 130 Ų | 130 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -157 | 154.4 | 133.1 | -109.6 | 171.1 | 0 | 0 | 0 | 111.2 | ||||
| 1045 | T | 32.1 | Very low | 35.4 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -137.3 | 173.7 | -174.6 | 41.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1046 | L | 32 | Very low | 35 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 119.8 | 105.4 | 169.9 | -64.9 | 159.9 | 0 | 0 | 0 | 111.4 | ||||
| 1047 | T | 35 | Very low | 34.6 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 52% | 0.521 | 76% | 0.757 | S | S | . | * | 70.2 | 129.5 | 71.4 | 64.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1048 | T | 36.6 | Very low | 34.4 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | 171.3 | 171.9 | 95.8 | 38.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1049 | S | 34.1 | Very low | 34.1 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | cis | -170.2 | 174.9 | -30.4 | -85 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1050 | H | 39.5 | Very low | 33.9 | Very low | 179 Ų | 179 | 133 Ų | 133 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | 70.8 | 120 | 170.7 | -56.6 | -82.6 | 0 | 0 | 0 | 117.7 | ||||
| 1051 | Q | 33.5 | Very low | 33.7 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | cis | 79.4 | 123.9 | 30.7 | -68.3 | -135 | 36.3 | 0 | 0 | 117.7 | ||||
| 1052 | L | 36.8 | Very low | 33.6 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | -154.6 | 84.4 | 120.5 | -104.5 | 178.3 | 0 | 0 | 0 | 112.6 | |||||
| 1053 | N | 31.8 | Very low | 33.6 | Very low | 107 Ų | 107 | 131 Ų | 131 | 57% | 0.572 | 77% | 0.768 | S | S | * | * | 32.4 | 120.7 | 126.4 | -167.3 | 27 | 0 | 0 | 0 | 121.9 | |||||
| 1054 | S | 37.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -169.2 | 140.3 | 131.7 | -81.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1055 | T | 30 | Very low | 33.7 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -119.5 | 137.1 | -167.7 | 2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1056 | T | 33.9 | Very low | 33.7 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | -143.4 | 121.1 | 156.2 | -45.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1057 | T | 27.3 | Very low | 33.9 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -93.3 | 138.4 | 177.8 | -45 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1058 | I | 34.3 | Very low | 33.9 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 82% | 0.821 | 81% | 0.812 | S | S | * | * | trans | -155.8 | 147 | 154.9 | -98.2 | 136.5 | 0 | 0 | 0 | 109.6 | ||||
| 1059 | T | 31 | Very low | 33.7 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 63% | 0.632 | 81% | 0.813 | S | S | * | * | trans | -88 | 148.6 | -174.2 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | T1061 | T1059-T1061 PolarHBondContact O-N 3.12Å; T1059-T1061 VanDerWaalsContact O-N 3.16Å | ||
| 1060 | P | 33.8 | Very low | 33.7 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -79.9 | 93.4 | 170.9 | 32.2 | -32.9 | 0 | 0 | 0 | 110.8 | ||||
| 1061 | T | 34.9 | Very low | 33.4 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 82% | 0.824 | S | S | * | * | trans | -87.2 | 148.6 | 165.9 | 46.6 | 0 | 0 | 0 | 0 | 111.4 | T1059 | T1059-T1061 PolarHBondContact O-N 3.12Å; T1059-T1061 VanDerWaalsContact O-N 3.16Å | ||
| 1062 | T | 33 | Very low | 33.4 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -78.7 | 133.3 | -174 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1063 | S | 34.5 | Very low | 33.1 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 88% | 0.881 | 83% | 0.825 | S | S | * | * | trans | -167.3 | 162.5 | 141.8 | -89 | 0 | 0 | 0 | 0 | 114 | ||||
| 1064 | S | 31.4 | Very low | 33.2 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 84% | 0.843 | S | S | * | * | trans | -76.6 | 173.8 | -170.9 | -50.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1065 | I | 35.1 | Very low | 32.9 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 81% | 0.805 | 84% | 0.842 | S | S | * | * | trans | 128.7 | 100.4 | 158.7 | -69.4 | 157.5 | 0 | 0 | 0 | 107.9 | ||||
| 1066 | V | 32.1 | Very low | 33.2 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 83% | 0.83 | 85% | 0.851 | S | S | * | * | 67.6 | 90.2 | 62 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1067 | A | 36.7 | Very low | 33.1 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 100% | 1.455 | 85% | 0.851 | S | S | * | * | trans | -142.9 | 0 | 157.1 | 0 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 1,067 of 1,067 residues in 218.3 ms
(Link to these results)