| 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 | S | 36.9 | Very low | 34 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 100% | 1.224 | 82% | 0.818 | S | S | * | * | 0 | 148.3 | 0 | -156.5 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 2 | A | 43.1 | Very low | 33.6 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -18.5 | 122.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3 | G | 33.1 | Very low | 34.2 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | 103 | 87.9 | 43 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 4 | D | 31.7 | Very low | 33.8 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | cis | 79.6 | 151.3 | 41.4 | -131.8 | 32.8 | 0 | 0 | 0 | 111.8 | ||||
| 5 | P | 51.7 | Low | 33.7 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 58% | 0.584 | 79% | 0.791 | S | S | * | * | -136.6 | -160.2 | -109.9 | 40.4 | -19.3 | 0 | 0 | 0 | 113.9 | |||||
| 6 | M | 27.8 | Very low | 33.9 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 84% | 0.837 | 79% | 0.787 | S | S | * | * | trans | 62 | 131.6 | 171.4 | -74.7 | -179.3 | -121.5 | 0 | 0 | 116.2 | ||||
| 7 | S | 32.9 | Very low | 34 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | 179.7 | 167.1 | 79 | -64.4 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 8 | G | 26.2 | Very low | 34.1 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | 121.1 | 106.1 | 4.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 9 | L | 30.2 | Very low | 34.1 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 67.8 | 120.6 | 163.7 | -63.9 | 161.7 | 0 | 0 | 0 | 119.8 | ||||
| 10 | F | 29.3 | Very low | 34.1 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | 167 | 134.9 | 113.7 | -102.4 | -101.8 | 0 | 0 | 0 | 106.8 | |||||
| 11 | R | 31.1 | Very low | 33.6 | Very low | 220 Ų | 220 | 138.4 Ų | 138.4 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | cis | -157.2 | 157.1 | 7.5 | -151.4 | -174.2 | -153.3 | 151.7 | 3.7 | 110.7 | ||||
| 12 | K | 29.5 | Very low | 33.4 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | -81.9 | 172.1 | 160.5 | -154.1 | 156.3 | 172.3 | 179 | 0 | 107.9 | ||||
| 13 | P | 40.7 | Very low | 32.7 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | cis | -151.4 | 168.5 | 23.2 | 46.4 | -25.3 | 0 | 0 | 0 | 121.9 | ||||
| 14 | M | 29.4 | Very low | 32.5 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | trans | 45.4 | 116 | 135.6 | -62.8 | 156.8 | 62.7 | 0 | 0 | 122.3 | ||||
| 15 | N | 31.3 | Very low | 32.3 | Very low | 136 Ų | 136 | 141 Ų | 141 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | -177.9 | 135.2 | 107.5 | -86.5 | 12.6 | 0 | 0 | 0 | 107.4 | |||||
| 16 | D | 37.1 | Very low | 31.3 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | 61.1 | 129.8 | 76 | -73.1 | -25.4 | 0 | 0 | 0 | 113.5 | |||||
| 17 | D | 36.3 | Very low | 31.2 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | cis | -134.1 | 172.3 | 3.8 | -72.4 | -96.2 | 0 | 0 | 0 | 109.4 | ||||
| 18 | G | 35.7 | Very low | 31 | Very low | 61 Ų | 61 | 141 Ų | 141 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | cis | -179.8 | 172.1 | 1.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 19 | D | 33.4 | Very low | 31.1 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | -70 | 160.6 | -168.5 | -51 | -78.5 | 0 | 0 | 0 | 115.6 | ||||
| 20 | V | 34.2 | Very low | 30.9 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | cis | 86.9 | 129.9 | 17.2 | -165.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 21 | Y | 24.8 | Very low | 30.8 | Very low | 219 Ų | 219 | 141.2 Ų | 141.2 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | 64.2 | 157.5 | -177.4 | -68.6 | -70.1 | 0 | 0 | 0 | 116.4 | ||||
| 22 | T | 32.1 | Very low | 30.8 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | cis | -121.2 | 159 | -5.4 | 44.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 23 | S | 27.8 | Very low | 31.4 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | cis | 87 | 111.4 | 35.8 | -150.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 24 | L | 28.7 | Very low | 30.7 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | 85.6 | 153.8 | 156.4 | -66.4 | 167 | 0 | 0 | 0 | 122.8 | ||||
| 25 | M | 29 | Very low | 30.7 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | 75.8 | 155.9 | 170.4 | -53.9 | -163 | 76.8 | 0 | 0 | 118.7 | ||||
| 26 | S | 29.1 | Very low | 30.6 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 54% | 0.538 | 75% | 0.751 | S | S | . | * | cis | 177.8 | 140.1 | -35 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 27 | N | 26.7 | Very low | 30.2 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | 60.5 | 169.2 | 157.9 | -77.6 | -0.8 | 0 | 0 | 0 | 118.4 | ||||
| 28 | Q | 29.1 | Very low | 30.5 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | cis | -168.2 | 134.8 | -31.7 | 169.6 | 175.3 | 62.9 | 0 | 0 | 110.5 | ||||
| 29 | A | 28.1 | Very low | 30.1 | Very low | 86 Ų | 86 | 138.5 Ų | 138.5 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 55.2 | 154.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 30 | S | 26.2 | Very low | 29.7 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | 64 | 122.4 | 154.3 | -57.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 31 | Y | 27.5 | Very low | 29.5 | Very low | 226 Ų | 226 | 137.7 Ų | 137.7 | 89% | 0.886 | 76% | 0.755 | S | S | * | * | 175.7 | 138.9 | 96.1 | -94.8 | -73.4 | 0 | 0 | 0 | 112 | |||||
| 32 | L | 30.8 | Very low | 29.7 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -85 | 167.1 | 155.8 | -86.3 | 167.7 | 0 | 0 | 0 | 108.3 | ||||
| 33 | P | 41.2 | Very low | 29.5 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | cis | -150.1 | 174.5 | 31.5 | 47 | -27.5 | 0 | 0 | 0 | 119.1 | ||||
| 34 | D | 26.9 | Very low | 29.5 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 42.2 | 177.9 | 141.7 | -113.1 | -57.8 | 0 | 0 | 0 | 127 | ||||
| 35 | D | 28.3 | Very low | 29.3 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 88.8 | 83.8 | 160.7 | -94 | -61.5 | 0 | 0 | 0 | 121 | ||||
| 36 | L | 29.6 | Very low | 29.3 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | 36.4 | 123.4 | 117.3 | -73 | 150.3 | 0 | 0 | 0 | 120.2 | |||||
| 37 | K | 28.2 | Very low | 29.3 | Very low | 203 Ų | 203 | 133.5 Ų | 133.5 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | -171.3 | 165.5 | 102.6 | -98.1 | -155.2 | 171 | 172.2 | 0 | 113.2 | |||||
| 38 | P | 42.2 | Very low | 29.4 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | trans | -135 | -157.3 | -147.9 | 44.7 | -26.8 | 0 | 0 | 0 | 114.7 | ||||
| 39 | S | 27.3 | Very low | 29.4 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | 109.3 | 145.6 | 145.6 | 78 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 40 | N | 27 | Very low | 29.5 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 73.6 | 139 | 156.8 | -60.7 | -15.2 | 0 | 0 | 0 | 118.2 | ||||
| 41 | A | 29.1 | Very low | 29.5 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | cis | -156.8 | 170.9 | -10.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 42 | L | 29 | Very low | 29.4 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -54.8 | 145.8 | 176.4 | -168.2 | 74.5 | 0 | 0 | 0 | 114.1 | ||||
| 43 | G | 27.4 | Very low | 29.2 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -161.4 | 143.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 44 | D | 27.4 | Very low | 28.7 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -138.4 | 178.1 | -161.1 | -165.3 | 7.4 | 0 | 0 | 0 | 112.1 | ||||
| 45 | F | 26.4 | Very low | 28.8 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | 83.6 | 108 | 167.3 | -90.2 | -111.5 | 0 | 0 | 0 | 121.5 | ||||
| 46 | T | 28.1 | Very low | 28.9 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 46.5 | 139.6 | 126.6 | 64.7 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 47 | G | 28.6 | Very low | 28.8 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | 173.4 | 136.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 48 | D | 28.2 | Very low | 28.8 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -112.2 | 161.2 | -169.3 | -99.7 | -57 | 0 | 0 | 0 | 116 | ||||
| 49 | A | 30.6 | Very low | 28.2 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 70.7 | 166.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 50 | Y | 30.3 | Very low | 28.3 | Very low | 206 Ų | 206 | 133 Ų | 133 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | cis | -159.1 | 164.2 | 21.2 | 27.4 | -104.4 | 0 | 0 | 0 | 114.9 | ||||
| 51 | S | 24.8 | Very low | 28.3 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 83.9 | 157.7 | 152 | 81 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 52 | F | 25.2 | Very low | 28.3 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | cis | -170.5 | 107.6 | -36.2 | 179.1 | -103.2 | 0 | 0 | 0 | 113.6 | ||||
| 53 | T | 27.1 | Very low | 29.5 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | trans | 62.6 | 171.8 | 164.2 | 78.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 54 | S | 30.8 | Very low | 29.6 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | cis | -143.8 | 171.1 | 14.6 | -91.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 55 | K | 28.4 | Very low | 29.6 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | cis | -161.7 | 156.3 | 19.8 | -139.1 | 165 | -174.1 | 174.2 | 0 | 111.5 | ||||
| 56 | T | 30.6 | Very low | 29.9 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 33.1 | 122 | 154 | 47.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 57 | K | 27.6 | Very low | 30.9 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | cis | 67.7 | 112.4 | 31.3 | -166.7 | -174.2 | 177.9 | 179.7 | 0 | 117 | ||||
| 58 | T | 29.3 | Very low | 31.1 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 91% | 0.914 | 76% | 0.755 | S | S | * | * | trans | -147.9 | 131 | 139.5 | 10.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 59 | A | 29.7 | Very low | 31 | Very low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 75% | 0.746 | S | S | * | * | trans | -167 | 132.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 60 | S | 28.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | 175 | 153.3 | 166.3 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 61 | N | 27.6 | Very low | 31 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | cis | 176.6 | 131.6 | -37.7 | -107.9 | 10.6 | 0 | 0 | 0 | 110 | ||||
| 62 | F | 28.8 | Very low | 31.2 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | 58.2 | 169.8 | 154 | -60.2 | -58.2 | 0 | 0 | 0 | 118.8 | ||||
| 63 | P | 53.4 | Low | 31.7 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | cis | -116.5 | -149.7 | -6.1 | 37.9 | -17.3 | 0 | 0 | 0 | 110.7 | ||||
| 64 | D | 30.5 | Very low | 31.9 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | cis | -160 | 176.1 | 0.9 | -137.3 | -35 | 0 | 0 | 0 | 113.1 | ||||
| 65 | D | 27.5 | Very low | 32.3 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 68.9 | 163.9 | 155 | -118.5 | -37.9 | 0 | 0 | 0 | 123.3 | ||||
| 66 | T | 32.3 | Very low | 32.5 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | -145.2 | -167.8 | -149.4 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 67 | P | 49.1 | Very low | 32.5 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 62% | 0.623 | 77% | 0.773 | S | S | * | * | cis | -141.8 | -177.5 | -5.2 | 44.6 | -26.9 | 0 | 0 | 0 | 117.7 | ||||
| 68 | K | 32 | Very low | 32.8 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | 72.9 | 147.9 | 157.4 | -70.6 | 165.6 | -175 | 171.7 | 0 | 119.2 | ||||
| 69 | S | 26.6 | Very low | 32.8 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | cis | -173.6 | 139.4 | -17.1 | 50.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 70 | L | 29.4 | Very low | 32.8 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 162.7 | 102.8 | 144.4 | -90.2 | 163.6 | 0 | 0 | 0 | 107.7 | ||||
| 71 | L | 31.9 | Very low | 32.9 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | 72.6 | 110.8 | 83.9 | -157.6 | 83.6 | 0 | 0 | 0 | 113 | |||||
| 72 | G | 27.6 | Very low | 33.9 | Very low | 73 Ų | 73 | 146 Ų | 146 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -175.5 | -178.5 | -1.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 73 | S | 36.1 | Very low | 34.2 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -41.9 | 165.2 | 171.5 | -81 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 74 | D | 31.1 | Very low | 33.5 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | cis | -157.2 | -168.9 | -4.1 | -128 | -64.7 | 0 | 0 | 0 | 113.9 | ||||
| 75 | K | 39.1 | Very low | 33.7 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | -84.6 | 176 | 174.7 | -76.9 | -179 | 173.3 | 176.4 | 0 | 115.8 | ||||
| 76 | T | 34.3 | Very low | 34 | Very low | 131 Ų | 131 | 144 Ų | 144 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 74.7 | 136.2 | 165.8 | 65.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 77 | E | 30.6 | Very low | 34 | Very low | 192 Ų | 192 | 141.8 Ų | 141.8 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | -153.1 | -161.6 | 63.5 | -86.8 | -173.6 | 135.9 | 0 | 0 | 114.2 | |||||
| 78 | S | 33.6 | Very low | 33.1 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -131.1 | 160.8 | -173.3 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 79 | Y | 28.7 | Very low | 33 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | 59.8 | 119.2 | 176.6 | -92.9 | -100.2 | 0 | 0 | 0 | 116.9 | ||||
| 80 | N | 30 | Very low | 33.3 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | -162.2 | 166.1 | 103.9 | -113 | -72.8 | 0 | 0 | 0 | 114.7 | |||||
| 81 | Y | 31.4 | Very low | 33.4 | Very low | 180 Ų | 180 | 155.3 Ų | 155.3 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -97.8 | 141.5 | 179.4 | 164.3 | -90.6 | 0 | 0 | 0 | 109.7 | D83 | Y81-D83 HydrophobicContact CE1-CB 3.65Š| ||
| 82 | M | 47.7 | Very low | 33.2 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -136.2 | 94.4 | 168.4 | -88.6 | -68.1 | 176.2 | 0 | 0 | 109.4 | ||||
| 83 | D | 35 | Very low | 33.2 | Very low | 93 Ų | 93 | 152.6 Ų | 152.6 | 50% | 0.497 | 80% | 0.796 | S | S | . | * | trans | -75.9 | 140 | 151.7 | 175.7 | 28.3 | 0 | 0 | 0 | 108.3 | Y81 | Y81-D83 HydrophobicContact CE1-CB 3.65Š| ||
| 84 | I | 39.1 | Very low | 32.8 | Very low | 146 Ų | 146 | 158.1 Ų | 158.1 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -129.6 | 102.5 | 169.4 | -63 | -176.3 | 0 | 0 | 0 | 107.2 | ||||
| 85 | S | 34.7 | Very low | 32.6 | Very low | 89 Ų | 89 | 155.5 Ų | 155.5 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | trans | -73.8 | 147.7 | -176.2 | -34.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 86 | H | 34 | Very low | 32.1 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | trans | -102.9 | 128.4 | 148.5 | -94.9 | -83.2 | 0 | 0 | 0 | 108.2 | ||||
| 87 | G | 31.2 | Very low | 32 | Very low | 72 Ų | 72 | 150.3 Ų | 150.3 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -171.1 | 92.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 88 | E | 31.9 | Very low | 31.9 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -150.2 | 151.7 | 145.2 | -101.9 | 175.1 | 130.3 | 0 | 0 | 105.4 | ||||
| 89 | E | 30.2 | Very low | 31.9 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | cis | -124.6 | 179.5 | 22.7 | -55.9 | 173 | 139.5 | 0 | 0 | 112.9 | ||||
| 90 | R | 32.3 | Very low | 32.1 | Very low | 241 Ų | 241 | 146.1 Ų | 146.1 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -139.5 | 112.3 | 172.3 | -99.2 | -168.3 | 175.4 | -167.1 | 1.9 | 114.4 | ||||
| 91 | H | 31.7 | Very low | 32.3 | Very low | 208 Ų | 208 | 145.2 Ų | 145.2 | 96% | 0.963 | 78% | 0.779 | S | S | * | * | trans | -137.6 | 145 | 145.8 | -78.8 | -71.4 | 0 | 0 | 0 | 107.1 | ||||
| 92 | G | 27 | Very low | 32.5 | Very low | 64 Ų | 64 | 143.2 Ų | 143.2 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 158.3 | 140.7 | -6.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 93 | S | 27.5 | Very low | 31.7 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | 66.1 | 161.1 | -177.6 | -67.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 94 | R | 27.5 | Very low | 31.4 | Very low | 227 Ų | 227 | 145.9 Ų | 145.9 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | cis | 177.7 | 129.3 | -23.4 | 167.2 | 177.9 | 173.9 | 162.3 | -1.1 | 108.1 | ||||
| 95 | A | 28.2 | Very low | 31.1 | Very low | 89 Ų | 89 | 149.3 Ų | 149.3 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | 63.4 | 172.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 96 | S | 28.1 | Very low | 31.4 | Very low | 108 Ų | 108 | 152 Ų | 152 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | cis | -172.2 | 157 | -27.8 | 46.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 97 | A | 31.1 | Very low | 31.1 | Very low | 93 Ų | 93 | 149.2 Ų | 149.2 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | 67.6 | 145.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 98 | D | 29.9 | Very low | 31.3 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | cis | 82.1 | 146.7 | 20.1 | -156.9 | 18.3 | 0 | 0 | 0 | 115.2 | ||||
| 99 | L | 33.8 | Very low | 31.7 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | 69 | 146.7 | -175.4 | -58.8 | 170.8 | 0 | 0 | 0 | 117.6 | ||||
| 100 | D | 32.1 | Very low | 32.5 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | cis | -166.6 | 162.8 | -30.6 | -153.7 | -1.8 | 0 | 0 | 0 | 112.1 | ||||
| 101 | L | 34.9 | Very low | 32.4 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | 64.8 | 158.9 | 139.7 | -136.4 | 67.8 | 0 | 0 | 0 | 124.6 | ||||
| 102 | V | 34.7 | Very low | 32.3 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | 84 | 123.5 | 159.9 | -166.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 103 | G | 30.4 | Very low | 32.8 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -151.8 | 160.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 104 | R | 29.7 | Very low | 33.4 | Very low | 250 Ų | 250 | 140.1 Ų | 140.1 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | trans | -160.5 | 135.1 | 169.5 | -150.8 | 173.7 | -170 | 178.3 | 2.1 | 114.7 | ||||
| 105 | Y | 33.2 | Very low | 33.8 | Very low | 218 Ų | 218 | 138.3 Ų | 138.3 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -46.1 | 173 | 168.5 | -83.3 | -102.4 | 0 | 0 | 0 | 119.4 | ||||
| 106 | I | 40.2 | Very low | 34.1 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 89.9 | 142.4 | 158.7 | -50.5 | -154.7 | 0 | 0 | 0 | 113.8 | ||||
| 107 | D | 27.6 | Very low | 34.6 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | cis | -145 | -171.2 | 13.5 | -138.2 | -32.5 | 0 | 0 | 0 | 115.7 | ||||
| 108 | N | 36.4 | Very low | 34.9 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -105.1 | 152 | 172.8 | -69.1 | -48.9 | 0 | 0 | 0 | 115.2 | ||||
| 109 | N | 39.4 | Very low | 35.2 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 42.7 | 138.1 | 146.2 | -139.5 | 46.1 | 0 | 0 | 0 | 121.8 | ||||
| 110 | P | 47.3 | Very low | 35.5 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -158.5 | 161.4 | 93 | 40.7 | -21.9 | 0 | 0 | 0 | 119 | |||||
| 111 | G | 29 | Very low | 35.8 | Very low | 77 Ų | 77 | 153.3 Ų | 153.3 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 70.7 | 161.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 112 | G | 31.1 | Very low | 35.9 | Very low | 64 Ų | 64 | 153 Ų | 153 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | cis | 158.7 | 129.9 | -10.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 113 | D | 36.2 | Very low | 35.5 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | 63 | 160.4 | 166.7 | -39.8 | -36.3 | 0 | 0 | 0 | 116.5 | ||||
| 114 | E | 40 | Very low | 35.8 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | cis | -81.4 | -126.8 | -1 | -61.3 | 86.7 | 177.6 | 0 | 0 | 115.4 | ||||
| 115 | E | 35.9 | Very low | 35.8 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | cis | -156 | 153.7 | 20.7 | -176.7 | 174.1 | -139 | 0 | 0 | 110.6 | ||||
| 116 | D | 35.8 | Very low | 36.2 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -86.5 | 173.9 | -171.1 | -47.6 | -57.5 | 0 | 0 | 0 | 114.4 | ||||
| 117 | E | 37.8 | Very low | 35.7 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | cis | -153.9 | 162.8 | 11.3 | -148.1 | 166.9 | -136.7 | 0 | 0 | 111.1 | ||||
| 118 | E | 37.3 | Very low | 36 | Very low | 163 Ų | 163 | 144 Ų | 144 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -66 | 179.9 | -171.4 | -70.1 | 153.9 | 179.1 | 0 | 0 | 115.8 | ||||
| 119 | E | 37.1 | Very low | 35.7 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | cis | -149.9 | -179.8 | 42.6 | -59.2 | 172.5 | 157.6 | 0 | 0 | 112.3 | ||||
| 120 | E | 40.3 | Very low | 35.4 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | -163.5 | -157 | -60.2 | -142.5 | -169.6 | -151.9 | 0 | 0 | 110.4 | E122 | E120-E122 HydrophobicContact CG-CG 4.27Š| |||
| 121 | E | 36.9 | Very low | 35.1 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | 73.9 | 94.1 | -169.5 | -64.4 | -159.2 | 164.4 | 0 | 0 | 115.7 | ||||
| 122 | E | 37 | Very low | 35.2 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 63% | 0.631 | 80% | 0.801 | S | S | * | * | cis | 76.7 | 101.2 | 34 | -70.1 | -94.6 | 107.2 | 0 | 0 | 117.4 | E120 | E120-E122 HydrophobicContact CG-CG 4.27Š| ||
| 123 | N | 27.8 | Very low | 35.4 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | -169.4 | 166.8 | 113.4 | -131.2 | -88.9 | 0 | 0 | 0 | 114.3 | |||||
| 124 | L | 35.1 | Very low | 35.5 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -138.6 | 124.6 | -161 | -67.4 | 172.2 | 0 | 0 | 0 | 117.6 | ||||
| 125 | G | 31.1 | Very low | 35.2 | Very low | 77 Ų | 77 | 146.7 Ų | 146.7 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 70.8 | -172.6 | 151 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 126 | P | 40.1 | Very low | 35.6 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | cis | -137 | 176.2 | -11.6 | 42.2 | -26.1 | 0 | 0 | 0 | 116.2 | ||||
| 127 | A | 29.5 | Very low | 35.8 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | 77.7 | 129.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 128 | L | 35 | Very low | 36.1 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 94% | 0.942 | 78% | 0.783 | S | S | * | * | trans | 34 | 114.5 | 143.7 | -63.5 | 170.3 | 0 | 0 | 0 | 121.2 | ||||
| 129 | G | 29 | Very low | 36.4 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -177.1 | 114.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 130 | S | 34.7 | Very low | 36.4 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 13 | 112 | 152.2 | 54.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 131 | H | 39.6 | Very low | 36.5 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | 51.4 | 90.9 | 117.2 | -162.6 | -66.8 | 0 | 0 | 0 | 119.9 | |||||
| 132 | S | 32.4 | Very low | 37.2 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -156.7 | 149.8 | 150.3 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 133 | F | 35.1 | Very low | 37.6 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -111.8 | 132.1 | 166 | -67.8 | -97.7 | 0 | 0 | 0 | 108 | Y135 | F133-Y135 PolarHBondContact O-N 3.13Š| ||
| 134 | P | 37.1 | Very low | 38.4 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -78.3 | 101.5 | 156.8 | 31.2 | -27.6 | 0 | 0 | 0 | 107.3 | ||||
| 135 | Y | 35.5 | Very low | 38.5 | Very low | 167 Ų | 167 | 136 Ų | 136 | 66% | 0.655 | 78% | 0.781 | S | S | * | * | 58.7 | 115.1 | 92.2 | -162.6 | -108.5 | 0 | 0 | 0 | 113.4 | F133 D138 | F133-Y135 PolarHBondContact O-N 3.13Å; Y135-D138 WeakPolarHBondContact CE2-OD2 3.45Å; Y135-D138 PolarHBondContact OH-OD2 3.48Å | |||
| 136 | V | 42.5 | Very low | 39.1 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 140.2 | 169.2 | 175.5 | 0 | 0 | 0 | 0 | 106.1 | D138 | V136-D138 PolarHBondContact O-N 2.95Š|
| 137 | E | 41.3 | Very low | 39.1 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 122.7 | -179.4 | -68 | 170.1 | 116.5 | 0 | 0 | 111.1 | ||
| 138 | D | 44 | Very low | 39.7 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 125.8 | 178.7 | -64.6 | -70 | 0 | 0 | 0 | 110.9 | Y135 V136 | Y135-D138 WeakPolarHBondContact CE2-OD2 3.45Å; Y135-D138 PolarHBondContact OH-OD2 3.48Å; V136-D138 PolarHBondContact O-N 2.95Å |
| 139 | P | 42.4 | Very low | 39.9 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 146.6 | 171.1 | 29.5 | -33.6 | 0 | 0 | 0 | 111.6 | ||
| 140 | S | 36.8 | Very low | 40.4 | Very low | 113 Ų | 113 | 153 Ų | 153 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 143.2 | -167.5 | 50.8 | 0 | 0 | 0 | 0 | 116 | E142 | S140-E142 PolarHBondContact O-N 2.9Å; S140-E142 VanDerWaalsContact O-N 3.1Å |
| 141 | D | 44.2 | Very low | 40.7 | Very low | 150 Ų | 150 | 157.8 Ų | 157.8 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 40.9 | -163.6 | -163.2 | 26.7 | 0 | 0 | 0 | 115.8 | ||
| 142 | E | 50.1 | Low | 40.3 | Very low | 168 Ų | 168 | 156.3 Ų | 156.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -30 | -170.8 | -149.4 | 79.8 | -132 | 0 | 0 | 114.9 | S140 | S140-E142 PolarHBondContact O-N 2.9Å; S140-E142 VanDerWaalsContact O-N 3.1Å |
| 143 | E | 46 | Very low | 40.4 | Very low | 198 Ų | 198 | 159.5 Ų | 159.5 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -91.9 | -1.6 | -170.9 | -78.9 | -151.6 | 113.6 | 0 | 0 | 116.7 | N145 | E143-N145 PolarHBondContact O-N 3.29Š|
| 144 | L | 44.3 | Very low | 40.3 | Very low | 121 Ų | 121 | 154.3 Ų | 154.3 | 63% | 0.634 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -91.3 | 5.1 | -168.2 | -151.6 | 113.9 | 0 | 0 | 0 | 116.2 | ||
| 145 | N | 37.8 | Very low | 40 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -86.1 | -34.5 | -168.2 | -82 | -58.3 | 0 | 0 | 0 | 115.7 | E143 Y147 | E143-N145 PolarHBondContact O-N 3.29Å; N145-Y147 PolarHBondContact O-N 2.78Å |
| 146 | D | 43.3 | Very low | 40.1 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -20.4 | -168.9 | -84.5 | -6.6 | 0 | 0 | 0 | 114.9 | ||
| 147 | Y | 41.2 | Very low | 40.1 | Very low | 236 Ų | 236 | 149.5 Ų | 149.5 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 3.8 | -174.9 | -130 | -93 | 0 | 0 | 0 | 115.5 | N145 | N145-Y147 PolarHBondContact O-N 2.78Š|
| 148 | R | 40.9 | Very low | 39.8 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -105.9 | -6 | -171.4 | -140.6 | 171.3 | -168.9 | 139 | 0.8 | 115.4 | Y150 | R148-Y150 PolarHBondContact O-N 2.86Š|
| 149 | S | 39 | Very low | 39.2 | Very low | 96 Ų | 96 | 149.9 Ų | 149.9 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -14.3 | -166.6 | 54.7 | 0 | 0 | 0 | 0 | 116.6 | ||
| 150 | Y | 39.7 | Very low | 38.7 | Very low | 231 Ų | 231 | 148.3 Ų | 148.3 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 14.9 | -175.8 | -94.8 | -81.2 | 0 | 0 | 0 | 115.9 | R148 | R148-Y150 PolarHBondContact O-N 2.86Š|
| 151 | R | 41.2 | Very low | 38.5 | Very low | 214 Ų | 214 | 148.7 Ų | 148.7 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -126.6 | 120.5 | 178 | -149.5 | 170.2 | -168.2 | 157.5 | 3.2 | 111.7 | ||
| 152 | N | 30.9 | Very low | 38.4 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 85.9 | 81.5 | 179.4 | -47.2 | -71.7 | 0 | 0 | 0 | 116.9 | ||||
| 153 | L | 35.3 | Very low | 37.5 | Very low | 179 Ų | 179 | 146 Ų | 146 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | -96.2 | 139.5 | 126.7 | -112 | 70.1 | 0 | 0 | 0 | 107.8 | |||||
| 154 | G | 31.8 | Very low | 36.6 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -82.8 | -180 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 155 | G | 31.6 | Very low | 36.4 | Very low | 63 Ų | 63 | 147.2 Ų | 147.2 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | cis | 161.9 | 93.5 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 156 | T | 38.2 | Very low | 36.1 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | 68.5 | 166.2 | 173.6 | 79.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 157 | P | 42.4 | Very low | 35.7 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | cis | -135.2 | 163.3 | 5.7 | 42.2 | -25.3 | 0 | 0 | 0 | 118.7 | ||||
| 158 | Q | 34 | Very low | 35.3 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 76.2 | 144.9 | 148.8 | -79.4 | -173.3 | 77.2 | 0 | 0 | 123.6 | ||||
| 159 | T | 31.3 | Very low | 34.9 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 98.6 | 130.8 | 155.9 | 72.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 160 | A | 33.6 | Very low | 34.5 | Very low | 90 Ų | 90 | 141.5 Ų | 141.5 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | 69.8 | 100.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 161 | S | 31.6 | Very low | 34 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | 71 | 151 | 132.2 | -102.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 162 | P | 41.4 | Very low | 33.4 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -94.6 | 153.6 | -176.3 | 37.6 | -34.7 | 0 | 0 | 0 | 113.8 | ||||
| 163 | V | 31.3 | Very low | 33.3 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -110.4 | 128 | 166.2 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 164 | K | 28.6 | Very low | 33.1 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 74% | 0.735 | 78% | 0.783 | S | S | * | * | trans | -87.6 | 109.8 | -176.7 | 174.7 | -165.5 | 172.3 | -173.5 | 0 | 110.5 | T166 | K164-T166 WeakPolarHBondContact CE-OG1 3.28Å; K164-T166 PolarHBondContact O-N 3.24Å; K164-T166 PolarHBondContact O-OG1 3.43Å | ||
| 165 | I | 38.6 | Very low | 33.5 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -68.1 | 122.4 | 169.1 | -57.1 | 176.7 | 0 | 0 | 0 | 108.3 | ||||
| 166 | T | 32.2 | Very low | 33.4 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 53% | 0.534 | 79% | 0.789 | S | S | . | * | trans | -133 | 148.8 | 175.9 | -35.4 | 0 | 0 | 0 | 0 | 108.1 | K164 | K164-T166 WeakPolarHBondContact CE-OG1 3.28Å; K164-T166 PolarHBondContact O-N 3.24Å; K164-T166 PolarHBondContact O-OG1 3.43Å | ||
| 167 | L | 35.9 | Very low | 33 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -59.2 | 140.5 | -176.2 | -73.9 | 68.8 | 0 | 0 | 0 | 111.8 | ||||
| 168 | T | 31.7 | Very low | 32.3 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | trans | -99.1 | 103.5 | 162.3 | 47.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 169 | E | 32.5 | Very low | 33 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -55.9 | 146.8 | 159.7 | -178.7 | -167.3 | 122.8 | 0 | 0 | 110.9 | S171 | E169-S171 VanDerWaalsContact OE1-CB 3.25Å; E169-S171 WeakPolarHBondContact OE1-CB 3.33Å; E169-S171 PolarHBondContact OE1-OG 2.87Å | ||
| 170 | S | 30.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -111.1 | 81.5 | 175.3 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 171 | S | 28.7 | Very low | 34.4 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -107 | 149.8 | 173.6 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | E169 | E169-S171 VanDerWaalsContact OE1-CB 3.25Å; E169-S171 WeakPolarHBondContact OE1-CB 3.33Å; E169-S171 PolarHBondContact OE1-OG 2.87Å | ||
| 172 | K | 28.9 | Very low | 34.3 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -80.6 | 144 | -168.9 | 177.6 | -169.7 | 172.6 | -162.4 | 0 | 112 | ||||
| 173 | A | 28.3 | Very low | 33.7 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -132.9 | 156.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 174 | E | 31.2 | Very low | 33.5 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -141.7 | 147.1 | -174.2 | -173.6 | 175.1 | 107.8 | 0 | 0 | 108.8 | ||||
| 175 | P | 40.2 | Very low | 33.6 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -88.7 | 115.2 | -173.7 | 32.2 | -32.7 | 0 | 0 | 0 | 114.3 | ||||
| 176 | Q | 29.3 | Very low | 33.3 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | 25.9 | 133.3 | 140.7 | -55.9 | 175.4 | -10.3 | 0 | 0 | 118.4 | ||||
| 177 | Q | 30.1 | Very low | 33.3 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | -170.8 | 170.4 | 53.2 | -165.2 | 162.3 | -22.9 | 0 | 0 | 112.9 | |||||
| 178 | L | 28.6 | Very low | 33.2 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -96.3 | 178.6 | -173.1 | -101.2 | 72.3 | 0 | 0 | 0 | 114.4 | ||||
| 179 | P | 48.3 | Very low | 33 | Very low | 107 Ų | 107 | 136 Ų | 136 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | cis | -136 | -139.3 | -34.2 | 35.2 | -11.1 | 0 | 0 | 0 | 112.1 | ||||
| 180 | P | 46.9 | Very low | 33.1 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | -117.6 | -150.7 | -87.8 | 36.1 | -13.4 | 0 | 0 | 0 | 112.9 | |||||
| 181 | P | 47.9 | Very low | 32.9 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | -119.2 | 178.8 | -80.3 | 40.3 | -25.4 | 0 | 0 | 0 | 113.1 | |||||
| 182 | V | 29 | Very low | 33 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | 174.5 | 158.6 | 137.6 | 145.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 183 | A | 28.2 | Very low | 33.1 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | -107.2 | -161.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 184 | V | 28.1 | Very low | 33.1 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 97.8 | 130.5 | 174.4 | -174.6 | 0 | 0 | 0 | 0 | 115.3 | E186 | V184-E186 HydrophobicContact CG1-CG 4.02Š| ||
| 185 | S | 31.2 | Very low | 33.3 | Very low | 120 Ų | 120 | 135 Ų | 135 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -104.1 | 113.4 | 174 | 157.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 186 | E | 30.4 | Very low | 32.9 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | trans | -157.3 | 134.9 | 177.6 | -86.8 | -140.2 | -46.5 | 0 | 0 | 108.9 | V184 | V184-E186 HydrophobicContact CG1-CG 4.02Š| ||
| 187 | R | 33.7 | Very low | 33 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | cis | -150.3 | -152 | -15 | -41.2 | -177.6 | -156.5 | 80.5 | 22 | 106.7 | ||||
| 188 | E | 32.5 | Very low | 33.3 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | cis | -149.5 | -102.1 | -9 | 30.2 | -157.7 | 91.4 | 0 | 0 | 110.8 | ||||
| 189 | N | 28.3 | Very low | 33.8 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | trans | -170.6 | 126.4 | -158.8 | 165.2 | 37.3 | 0 | 0 | 0 | 111.2 | ||||
| 190 | V | 33.8 | Very low | 33 | Very low | 140 Ų | 140 | 130 Ų | 130 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -160.8 | 151.3 | 145 | -105.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 191 | L | 27.9 | Very low | 32.6 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -79.5 | 179.2 | 170.2 | -50 | 104.6 | 0 | 0 | 0 | 109.7 | ||||
| 192 | S | 30.1 | Very low | 32 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | -167.9 | 164.8 | 20.6 | -13.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 193 | V | 31 | Very low | 32.3 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 92% | 0.915 | 77% | 0.768 | S | S | * | * | trans | 42 | 122.4 | 140.3 | -177.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 194 | G | 28.7 | Very low | 32.6 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -177.2 | 128.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 195 | Q | 34.8 | Very low | 33.4 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -94.2 | 153.2 | 179.5 | -68.7 | 176.3 | -26.5 | 0 | 0 | 112.3 | ||||
| 196 | Q | 33.1 | Very low | 34.5 | Very low | 193 Ų | 193 | 133.7 Ų | 133.7 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | 67.9 | 138.5 | 137.5 | -177.5 | 176 | 81.2 | 0 | 0 | 119.7 | ||||
| 197 | G | 30.4 | Very low | 34.7 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 150.7 | 127.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 198 | V | 36.6 | Very low | 34.7 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -115.3 | 147.1 | 168.7 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 199 | P | 39.3 | Very low | 34.8 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -110.7 | 143.2 | 155.4 | 34.9 | -26.8 | 0 | 0 | 0 | 112.7 | ||||
| 200 | T | 31.4 | Very low | 35.5 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -125.7 | -167.3 | -179 | -48.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 201 | V | 38 | Very low | 36.6 | Very low | 125 Ų | 125 | 133 Ų | 133 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | trans | 79.7 | 130.8 | 158.7 | 167.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 202 | T | 35.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | cis | -162.5 | 178.1 | -4.5 | 23.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 203 | L | 36.1 | Very low | 37 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | cis | -128.6 | -103.8 | 6.4 | -147.5 | 176.1 | 0 | 0 | 0 | 112.6 | ||||
| 204 | S | 34.1 | Very low | 37.3 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -162.6 | 150.6 | -0.2 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 205 | E | 43.8 | Very low | 38.2 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -149.9 | 170.4 | -166.6 | -93.4 | 175.8 | 120.2 | 0 | 0 | 110.8 | ||||
| 206 | P | 54.8 | Low | 38.1 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | cis | -116.7 | -150.9 | 26.2 | 22.8 | 3.7 | 0 | 0 | 0 | 113.6 | ||||
| 207 | E | 35.2 | Very low | 38.1 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | cis | -150.8 | 179.5 | 25.9 | -67.9 | 179.1 | 109.6 | 0 | 0 | 114.2 | ||||
| 208 | D | 34.3 | Very low | 38.2 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -65.4 | 172.3 | 178.7 | -95.9 | -42.5 | 0 | 0 | 0 | 114.8 | ||||
| 209 | D | 32.9 | Very low | 39 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -146.3 | 170.9 | 19.4 | -162.1 | -22.7 | 0 | 0 | 0 | 110.8 | ||||
| 210 | S | 44.3 | Very low | 38.6 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -159.6 | 135.4 | 174.9 | -77 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 211 | P | 56.5 | Low | 38.6 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | -146.9 | 160.1 | 108.3 | 37.9 | -23 | 0 | 0 | 0 | 112.9 | |||||
| 212 | A | 34.6 | Very low | 38.2 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | cis | -146.5 | -161.6 | 9.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 213 | T | 32 | Very low | 37.8 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | cis | -156.5 | -177 | 11 | -161.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 214 | T | 36.4 | Very low | 37.5 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -149.8 | -175.8 | -172.3 | 61.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 215 | P | 48.8 | Very low | 37.1 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | cis | -114.2 | 162.6 | -9.6 | 9 | 17.3 | 0 | 0 | 0 | 113.3 | ||||
| 216 | N | 32.3 | Very low | 36.5 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | 71 | 138 | 57.7 | -141.9 | 22.4 | 0 | 0 | 0 | 112.3 | |||||
| 217 | A | 32.4 | Very low | 35.3 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | cis | -153.8 | 173 | 9.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 218 | S | 32.3 | Very low | 35 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -83.9 | -148.3 | 166 | -43.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 219 | P | 53.1 | Low | 34.8 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -142 | -155.4 | -2.9 | 36.5 | -11.2 | 0 | 0 | 0 | 115.2 | ||||
| 220 | T | 31.8 | Very low | 34.6 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 99 | 143.3 | 151.3 | -45.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 221 | R | 30.3 | Very low | 33.9 | Very low | 205 Ų | 205 | 141.1 Ų | 141.1 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | cis | -169.3 | 152.9 | -33.4 | -179.4 | 174.3 | -178.5 | -119.4 | 10.5 | 109.1 | ||||
| 222 | K | 30 | Very low | 32.6 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -22.6 | 142.2 | 168.9 | -44.8 | 175.4 | 180 | -173.9 | 0 | 117.2 | ||||
| 223 | Q | 28.3 | Very low | 32.2 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | 172.6 | 179.6 | 95.1 | -124.7 | 160.8 | -49.9 | 0 | 0 | 113.4 | |||||
| 224 | F | 29 | Very low | 32 | Very low | 201 Ų | 201 | 143.6 Ų | 143.6 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -79.7 | 152.8 | -174.7 | -56.9 | -101.4 | 0 | 0 | 0 | 114.5 | ||||
| 225 | S | 25.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | -167.4 | 175.9 | 119.1 | -152.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 226 | S | 32 | Very low | 30.7 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -95.4 | 173.2 | -163.3 | -52.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 227 | E | 29.6 | Very low | 31.3 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | 88.7 | 142.3 | 140.9 | -81.7 | 151.9 | 125.1 | 0 | 0 | 123.4 | ||||
| 228 | D | 28 | Very low | 31.3 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 62.3 | 96.6 | 157.9 | -73 | -17.3 | 0 | 0 | 0 | 125.9 | ||||
| 229 | M | 30.3 | Very low | 31.1 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | 67.2 | 105.4 | 99.5 | -170.1 | 161.9 | 54.8 | 0 | 0 | 121.7 | |||||
| 230 | F | 30.3 | Very low | 30.1 | Very low | 196 Ų | 196 | 145.1 Ų | 145.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | 49.7 | 114.6 | 141.2 | -86.8 | -97.2 | 0 | 0 | 0 | 122.2 | ||||
| 231 | K | 29 | Very low | 30.1 | Very low | 187 Ų | 187 | 150.5 Ų | 150.5 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | -171.3 | 136.4 | 116.7 | -105.8 | -176.9 | 175 | 177.3 | 0 | 111.2 | |||||
| 232 | V | 28.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | 60.9 | 131.4 | 93.1 | 163.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 233 | E | 25.5 | Very low | 30.6 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | cis | -172.5 | 165.2 | -7.8 | 177.6 | 174.7 | 155.5 | 0 | 0 | 110.2 | ||||
| 234 | S | 28.1 | Very low | 30.8 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 74.1 | 144.5 | 163.5 | 77.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 235 | G | 28.5 | Very low | 30.8 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | 153.9 | 56.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 236 | K | 29.8 | Very low | 31.9 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -101.4 | 179.6 | 177.6 | -129.4 | -172.4 | 174.3 | 176.8 | 0 | 109.8 | ||||
| 237 | P | 45.9 | Very low | 31.9 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -134.9 | -147.7 | -8.5 | 47.1 | -27.7 | 0 | 0 | 0 | 111.8 | ||||
| 238 | A | 31 | Very low | 32.8 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | cis | -158 | 112.4 | -4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 239 | A | 29.9 | Very low | 32.9 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -166 | 138.2 | 153 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 240 | S | 31.1 | Very low | 32.8 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | cis | -130.4 | -165.3 | -1.2 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 241 | R | 32.7 | Very low | 33.3 | Very low | 240 Ų | 240 | 137.1 Ų | 137.1 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -125.2 | 168.4 | -166 | -90.9 | -178.4 | 167.7 | 179.8 | -5 | 111 | ||||
| 242 | S | 35 | Very low | 33.4 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | cis | 179.8 | 170.9 | -20.2 | 58.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 243 | N | 34.7 | Very low | 34 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | cis | -132.5 | -91.1 | 9.4 | -173.9 | 33.9 | 0 | 0 | 0 | 113.2 | ||||
| 244 | T | 33.3 | Very low | 34.4 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | cis | -157.8 | 171.5 | -0.6 | -51.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 245 | G | 27.9 | Very low | 34.6 | Very low | 59 Ų | 59 | 136.8 Ų | 136.8 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | trans | -177.5 | -157.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 246 | P | 48.8 | Very low | 34.9 | Very low | 132 Ų | 132 | 138 Ų | 138 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | cis | -144.1 | -169.8 | 12.8 | 43.3 | -22.5 | 0 | 0 | 0 | 118.1 | ||||
| 247 | K | 31.3 | Very low | 35.2 | Very low | 199 Ų | 199 | 133.6 Ų | 133.6 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -49.6 | 167.1 | 171.1 | -69.2 | 175.2 | 174.5 | -179.8 | 0 | 115.6 | ||||
| 248 | P | 48.4 | Very low | 34.7 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | cis | -136.8 | -162.6 | 29.1 | 42.8 | -22.9 | 0 | 0 | 0 | 114.7 | ||||
| 249 | G | 30.3 | Very low | 34.8 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | cis | 153.6 | 164.5 | -16.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 250 | S | 29.6 | Very low | 35.3 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | 76.2 | 159.4 | 176.8 | -145 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 251 | R | 40.4 | Very low | 35.5 | Very low | 229 Ų | 229 | 135.6 Ų | 135.6 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -170.9 | 132.1 | -167.4 | 169.2 | -171.6 | -177.7 | 166.6 | 2.3 | 111.5 | ||||
| 252 | D | 31.7 | Very low | 35.5 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -151.5 | 175 | 170 | -87.8 | -54.8 | 0 | 0 | 0 | 112.7 | ||||
| 253 | H | 40 | Very low | 35.8 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -148.5 | 132.9 | -162 | -163 | -26.1 | 0 | 0 | 0 | 113.9 | ||||
| 254 | E | 35.2 | Very low | 35.7 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -136.9 | -165.1 | 168.7 | -132.3 | -151.7 | 96.7 | 0 | 0 | 109.5 | ||||
| 255 | G | 30.5 | Very low | 35.9 | Very low | 58 Ų | 58 | 134.4 Ų | 134.4 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | cis | -179.4 | -179.2 | 6.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 256 | S | 35.2 | Very low | 36.1 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -161 | 151.4 | -178.7 | -158 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 257 | S | 37.5 | Very low | 35.3 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 75.1 | 118.6 | 156.3 | -56.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 258 | A | 34.9 | Very low | 35.2 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | 165.4 | 130 | 102.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 259 | E | 33.6 | Very low | 34.4 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | 72 | 143.7 | 141.7 | -146.9 | 145.8 | 108.7 | 0 | 0 | 125.1 | ||||
| 260 | S | 39.4 | Very low | 34.5 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | 64.1 | 149.8 | -176.6 | 70 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 261 | G | 34.4 | Very low | 34.6 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | 146.7 | 146.8 | -4.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 262 | D | 32.7 | Very low | 34.4 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | cis | -167.5 | -177.4 | -8.5 | -139.5 | -63 | 0 | 0 | 0 | 111.3 | ||||
| 263 | S | 42.9 | Very low | 34.6 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | 84.6 | 129.6 | -173.5 | -35.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 264 | E | 32.2 | Very low | 34.5 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | 61.2 | 129.6 | 71.2 | -101.8 | -165.8 | 99.5 | 0 | 0 | 114 | |||||
| 265 | I | 36.9 | Very low | 34.5 | Very low | 147 Ų | 147 | 135 Ų | 135 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | cis | -140.4 | 172.3 | 20.8 | 51.2 | 171.6 | 0 | 0 | 0 | 114.8 | ||||
| 266 | E | 31.5 | Very low | 34.5 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -75.9 | 152.1 | 171 | 175.6 | -176.7 | -146.4 | 0 | 0 | 113.9 | ||||
| 267 | L | 32.7 | Very low | 34.2 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | 173 | 170.7 | 127.1 | -92.4 | 169.2 | 0 | 0 | 0 | 116.1 | |||||
| 268 | V | 30 | Very low | 34 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -102.1 | 168 | -163.2 | 167.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 269 | S | 32 | Very low | 34.5 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -27.1 | 152.8 | 169.8 | -44 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 270 | E | 30.7 | Very low | 34.1 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | -170.7 | -167 | 110.9 | -153.2 | 146.6 | 104.9 | 0 | 0 | 112.6 | |||||
| 271 | E | 32 | Very low | 33.8 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 154.7 | -163 | -168.2 | 174.1 | 132.5 | 0 | 0 | 114.1 | ||
| 272 | P | 37.5 | Very low | 33.7 | Very low | 119 Ų | 119 | 151 Ų | 151 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 135.5 | -169.4 | 32.9 | -36.1 | 0 | 0 | 0 | 116.7 | ||
| 273 | P | 34.7 | Very low | 34.2 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 171.4 | 173.5 | 37.6 | -34.5 | 0 | 0 | 0 | 115.4 | ||
| 274 | K | 38.4 | Very low | 34.4 | Very low | 203 Ų | 203 | 148.4 Ų | 148.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 152.2 | -173.6 | -52.5 | 167.9 | -175.9 | 171.1 | 0 | 114.4 | ||
| 275 | P | 35.6 | Very low | 34.2 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -123.4 | 136 | 141.9 | 34.7 | -24 | 0 | 0 | 0 | 111.5 | ||||
| 276 | R | 29.3 | Very low | 33.6 | Very low | 241 Ų | 241 | 148 Ų | 148 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | cis | 81.5 | 105.9 | 49.7 | -87.1 | -166.4 | 168.5 | -167.5 | -0.1 | 115.9 | ||||
| 277 | S | 30.4 | Very low | 33.4 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -174.4 | 143.9 | 134.2 | 41 | 0 | 0 | 0 | 0 | 113 | ||||
| 278 | N | 32.1 | Very low | 33.2 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -116 | -165.7 | 172.8 | -67.3 | 12.3 | 0 | 0 | 0 | 107.5 | ||||
| 279 | P | 45.1 | Very low | 33.1 | Very low | 119 Ų | 119 | 146 Ų | 146 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | cis | -141.4 | 174.3 | -2.3 | 43.8 | -26.5 | 0 | 0 | 0 | 117.3 | ||||
| 280 | F | 26.3 | Very low | 32.8 | Very low | 193 Ų | 193 | 145 Ų | 145 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | -172.3 | 173.1 | 124.8 | -153.7 | -132.5 | 0 | 0 | 0 | 112.7 | |||||
| 281 | T | 32 | Very low | 32.8 | Very low | 85 Ų | 85 | 142.9 Ų | 142.9 | 52% | 0.521 | 77% | 0.765 | S | S | . | * | trans | -60.5 | 168.4 | -174.6 | 53.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 282 | E | 33.4 | Very low | 33.4 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | cis | -162.6 | 178.2 | -3.6 | -114.5 | 177.6 | 164.3 | 0 | 0 | 110.2 | ||||
| 283 | P | 41.7 | Very low | 32.9 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -105.4 | -154.9 | -172.2 | 46.6 | -40.6 | 0 | 0 | 0 | 112.4 | ||||
| 284 | P | 48.4 | Very low | 32.6 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | cis | -136.8 | -166.4 | -11.6 | 33.8 | -10.2 | 0 | 0 | 0 | 115.4 | ||||
| 285 | K | 26.8 | Very low | 32.1 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 92.5 | 132.2 | 150.5 | -70.3 | 166.5 | -178.4 | 174.8 | 0 | 122.2 | ||||
| 286 | N | 25.9 | Very low | 31.6 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 68.2 | 162.5 | 138.1 | -68.1 | 6.1 | 0 | 0 | 0 | 119.8 | ||||
| 287 | K | 26.7 | Very low | 32.2 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | cis | -176.4 | 142.4 | -29.8 | 171.6 | -179.3 | 174.7 | -173.2 | 0 | 107.3 | ||||
| 288 | V | 27.9 | Very low | 32 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 67 | 165.4 | 165.5 | 152.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 289 | T | 27.4 | Very low | 31.8 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | -168.3 | 158.4 | -55.4 | -53 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 290 | S | 25.9 | Very low | 30.9 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | trans | 46.5 | 121 | 149.4 | 55.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 291 | N | 31.1 | Very low | 31 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | 46.6 | 169 | 104.4 | -51.9 | 10.3 | 0 | 0 | 0 | 119.9 | |||||
| 292 | P | 44.1 | Very low | 30.7 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | cis | -130.7 | -160.3 | 0.8 | 32.1 | -7.9 | 0 | 0 | 0 | 114.6 | ||||
| 293 | F | 27.8 | Very low | 30.8 | Very low | 180 Ų | 180 | 127.2 Ų | 127.2 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | trans | -39.8 | 164.6 | 162.9 | -88.9 | -130.8 | 0 | 0 | 0 | 114.7 | ||||
| 294 | D | 28 | Very low | 30.1 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -168.2 | -177.3 | 46.2 | -140.1 | -40.6 | 0 | 0 | 0 | 115.4 | ||||
| 295 | N | 27.6 | Very low | 29.1 | Very low | 154 Ų | 154 | 129 Ų | 129 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 88.3 | 151.1 | 160.7 | -83.1 | -65.1 | 0 | 0 | 0 | 122 | ||||
| 296 | A | 26.1 | Very low | 29.2 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -128.2 | -156.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 297 | P | 42 | Very low | 29.5 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | -139.7 | -176.1 | -5 | 42.9 | -24.3 | 0 | 0 | 0 | 117 | ||||
| 298 | A | 26.4 | Very low | 29.6 | Very low | 98 Ų | 98 | 118.6 Ų | 118.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 68 | 137.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 299 | A | 27.1 | Very low | 30.3 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | cis | -170.8 | 152.7 | 33.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 300 | K | 26.6 | Very low | 30.5 | Very low | 208 Ų | 208 | 118.5 Ų | 118.5 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | 66.8 | 144.2 | 151.7 | -73.1 | -176.3 | 176.2 | -179.4 | 0 | 122.6 | ||||
| 301 | A | 28.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | 81.1 | 121.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 302 | G | 25.5 | Very low | 30.8 | Very low | 69 Ų | 69 | 121.9 Ų | 121.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -91.3 | -152.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 303 | P | 36 | Very low | 30.5 | Very low | 136 Ų | 136 | 121.4 Ų | 121.4 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | cis | -109.1 | 174.4 | 13.6 | 40.8 | -33.7 | 0 | 0 | 0 | 113.9 | ||||
| 304 | G | 26.1 | Very low | 31.4 | Very low | 68 Ų | 68 | 120.6 Ų | 120.6 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -114.1 | 168.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 305 | L | 28.7 | Very low | 31.8 | Very low | 180 Ų | 180 | 122.7 Ų | 122.7 | 94% | 0.942 | 81% | 0.813 | S | S | * | * | trans | -170.4 | 170.1 | 162.3 | -112.1 | 170.4 | 0 | 0 | 0 | 111.5 | ||||
| 306 | A | 28.8 | Very low | 32.5 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | 70.8 | 97.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 307 | A | 30.5 | Very low | 33.3 | Very low | 105 Ų | 105 | 131 Ų | 131 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -78.7 | 173.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 308 | G | 29.7 | Very low | 33.6 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -160.2 | 104.8 | 166 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 309 | P | 43.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -109.8 | 136.6 | -176.9 | 36.7 | -28.9 | 0 | 0 | 0 | 114.1 | ||||
| 310 | A | 30.4 | Very low | 34.9 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -166.9 | 140.2 | 157 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 311 | A | 32.8 | Very low | 35.2 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | 62 | 139.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 312 | Y | 31.5 | Very low | 35.7 | Very low | 227 Ų | 227 | 141.2 Ų | 141.2 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | cis | -123.6 | 145.6 | 10.3 | -72.9 | -101 | 0 | 0 | 0 | 112 | ||||
| 313 | S | 36.9 | Very low | 36.3 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -113.3 | 171.8 | 166.1 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 314 | I | 46.4 | Very low | 36.2 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 71.5 | 57.5 | 177.4 | -38.3 | 175.4 | 0 | 0 | 0 | 113.9 | ||
| 315 | L | 36 | Very low | 36.4 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -178.1 | 135.3 | 143.3 | -100.5 | 158.7 | 0 | 0 | 0 | 108.9 | ||
| 316 | R | 42.3 | Very low | 36.7 | Very low | 240 Ų | 240 | 144.1 Ų | 144.1 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | 83.6 | 40.2 | 179.9 | -156 | 174 | -70.8 | 159 | -0.4 | 117.6 | ||||
| 317 | E | 43.9 | Very low | 36.9 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | -97.3 | 145.5 | 129.5 | -83 | 165.5 | 137.4 | 0 | 0 | 106.4 | |||||
| 318 | E | 47.5 | Very low | 37.1 | Very low | 175 Ų | 175 | 148 Ų | 148 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -151.4 | 139.1 | -5 | 44.7 | -168.5 | 90.9 | 0 | 0 | 109.3 | ||||
| 319 | R | 43.9 | Very low | 37.6 | Very low | 213 Ų | 213 | 152.5 Ų | 152.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -155.5 | 143.9 | -178.8 | -107.4 | -67.2 | -158.9 | 99.8 | -2.3 | 108.1 | ||||
| 320 | E | 36.5 | Very low | 37.2 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 60.8 | 105.3 | 168.7 | -70.9 | 133.1 | -116.6 | 0 | 0 | 117.2 | ||||
| 321 | A | 34.7 | Very low | 37.4 | Very low | 104 Ų | 104 | 155.8 Ų | 155.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -142 | 88 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 322 | E | 38.3 | Very low | 37.2 | Very low | 187 Ų | 187 | 156 Ų | 156 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -93.2 | 166.5 | 164 | -64.4 | -171.2 | 149 | 0 | 0 | 109.3 | ||||
| 323 | L | 36.9 | Very low | 37.1 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -74.4 | 171.6 | 178.6 | -60.9 | 69.5 | 0 | 0 | 0 | 109.7 | ||||
| 324 | D | 35.9 | Very low | 37 | Very low | 134 Ų | 134 | 152.5 Ų | 152.5 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | cis | -158.4 | -179.5 | 10.3 | -147.4 | 35.8 | 0 | 0 | 0 | 107.9 | ||||
| 325 | S | 29 | Very low | 36.4 | Very low | 77 Ų | 77 | 152.2 Ų | 152.2 | 54% | 0.538 | 79% | 0.785 | S | S | . | * | cis | -152.5 | 175.4 | 10.1 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 326 | D | 34.5 | Very low | 36 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 76.2 | 155.1 | 137.9 | -77.4 | -21.6 | 0 | 0 | 0 | 125.3 | ||||
| 327 | L | 33.1 | Very low | 36 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 62.8 | 101.2 | 157.2 | -74.8 | 159.4 | 0 | 0 | 0 | 117.1 | ||||
| 328 | I | 36.2 | Very low | 35.3 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | -168 | 145.2 | 51.4 | -88.1 | 144.3 | 0 | 0 | 0 | 110.2 | E330 | I328-E330 HydrophobicContact CG2-CB 3.98Š| |||
| 329 | I | 40.1 | Very low | 34.5 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -97.4 | 120.9 | 158.3 | -60.3 | 171.5 | 0 | 0 | 0 | 107.5 | ||||
| 330 | E | 35.5 | Very low | 33.8 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -135 | 146 | 166.5 | -168.6 | 160.9 | -159 | 0 | 0 | 111.1 | I328 | I328-E330 HydrophobicContact CG2-CB 3.98Š| ||
| 331 | S | 33.2 | Very low | 33.6 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -103.6 | 137.6 | -162.5 | -60.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 332 | A | 29.2 | Very low | 33.4 | Very low | 86 Ų | 86 | 140.3 Ų | 140.3 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -147.5 | 117.7 | 159 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 333 | S | 28.6 | Very low | 33.1 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | 51.1 | 135.7 | 90.7 | 72.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 334 | E | 35 | Very low | 32.9 | Very low | 169 Ų | 169 | 136.3 Ų | 136.3 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | cis | -155.6 | 145.9 | 24.7 | -142.3 | 155.3 | 102.5 | 0 | 0 | 114.1 | ||||
| 335 | E | 33.2 | Very low | 32.6 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 45.4 | 136.5 | 143.2 | -165.6 | 161.5 | 126.8 | 0 | 0 | 124.3 | ||||
| 336 | S | 28.6 | Very low | 33.5 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -147.8 | 130.5 | 146.4 | -80.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 337 | P | 42 | Very low | 33.3 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 60% | 0.597 | 77% | 0.768 | S | S | * | * | trans | -103.3 | 166.6 | -164 | 38.4 | -37.9 | 0 | 0 | 0 | 116.1 | ||||
| 338 | K | 29.6 | Very low | 33.1 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 101.3 | 140.1 | 170.9 | -65.5 | 167.3 | -176.8 | 165 | 0 | 115.7 | ||||
| 339 | R | 30.3 | Very low | 32.7 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | cis | -168.2 | 130.5 | -7.3 | 165.1 | 173.2 | -172.4 | 174.7 | 5.9 | 113.2 | ||||
| 340 | E | 30.1 | Very low | 32.2 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 57% | 0.57 | 78% | 0.777 | S | S | * | * | trans | 66.5 | 148.2 | 153.7 | -81.3 | -173.7 | 75.2 | 0 | 0 | 124.7 | ||||
| 341 | Q | 31.9 | Very low | 31.8 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | 72.7 | 134.3 | 153.4 | -70.7 | 164.5 | 43.6 | 0 | 0 | 119.9 | ||||
| 342 | G | 29.7 | Very low | 32.8 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | 166.4 | -2.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 343 | I | 33.3 | Very low | 33.8 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 92% | 0.918 | 78% | 0.775 | S | S | * | * | trans | 18.2 | 116 | 167.5 | -51.6 | 173.9 | 0 | 0 | 0 | 118.9 | ||||
| 344 | G | 32.3 | Very low | 33.9 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 138.6 | 130.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 345 | G | 29.6 | Very low | 34.5 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -145 | -153.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 346 | P | 47.8 | Very low | 34.3 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -144.7 | -165.8 | -5.3 | 42.3 | -22.7 | 0 | 0 | 0 | 114.8 | ||||
| 347 | K | 31.1 | Very low | 34.3 | Very low | 168 Ų | 168 | 127 Ų | 127 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | 80.9 | 124.3 | 154.7 | -72.4 | -174.5 | 174.9 | -172 | 0 | 119.4 | ||||
| 348 | Q | 28.3 | Very low | 33.8 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | 69.7 | 140 | 84.9 | -64.9 | 174.6 | -37.1 | 0 | 0 | 114.3 | |||||
| 349 | G | 26.6 | Very low | 33.8 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | cis | 160.2 | 175.3 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 350 | A | 29.6 | Very low | 33.8 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 96% | 0.959 | 78% | 0.781 | S | S | * | * | trans | 77.9 | 163.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 351 | A | 27.6 | Very low | 33.9 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -147.6 | -178 | -167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 352 | P | 55.3 | Low | 35 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | cis | -109.4 | -105.8 | 0.6 | 23.1 | 1.9 | 0 | 0 | 0 | 114.4 | ||||
| 353 | P | 48.6 | Very low | 36.2 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | cis | -131.9 | -146.9 | 17.3 | 45 | -24.7 | 0 | 0 | 0 | 115.5 | ||||
| 354 | S | 31.3 | Very low | 35.9 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -158.9 | 176.3 | 173.1 | -70.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 355 | P | 47.2 | Very low | 35.7 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -149.3 | -150.3 | 23.8 | 40.6 | -14.5 | 0 | 0 | 0 | 117 | ||||
| 356 | L | 28.8 | Very low | 35.6 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | 94.9 | 162.7 | 164.7 | -51.9 | -176.9 | 0 | 0 | 0 | 119.9 | ||||
| 357 | V | 30.2 | Very low | 35.7 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 67% | 0.667 | 79% | 0.787 | S | S | * | * | -166.9 | 166.4 | -76.9 | 153.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 358 | Y | 30.3 | Very low | 35.5 | Very low | 225 Ų | 225 | 131 Ų | 131 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | 79.3 | 158.3 | 178.2 | -61.8 | -72.8 | 0 | 0 | 0 | 117.9 | ||||
| 359 | A | 29.4 | Very low | 35.4 | Very low | 91 Ų | 91 | 127 Ų | 127 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | cis | 178.2 | 171.2 | -24.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 360 | A | 30.8 | Very low | 35.8 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | cis | -172.6 | 179.8 | -32.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 361 | S | 33.1 | Very low | 36.9 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 75.6 | 118.9 | 159.9 | 54.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 362 | P | 54.8 | Low | 37 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -123.5 | -148.7 | 162.4 | 44.8 | -31.3 | 0 | 0 | 0 | 111.8 | ||||
| 363 | P | 53.4 | Low | 35.8 | Very low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -137.3 | -174 | -17.5 | 43.3 | -24.6 | 0 | 0 | 0 | 116.8 | ||||
| 364 | R | 28.1 | Very low | 36.1 | Very low | 245 Ų | 245 | 133.3 Ų | 133.3 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -166.5 | 155.6 | 160.6 | -103 | -165.4 | 164.8 | 129 | -3 | 110.6 | ||||
| 365 | S | 28.6 | Very low | 36.9 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | cis | -166.3 | 158.6 | -11.8 | 41.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 366 | H | 26.3 | Very low | 35.9 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -98 | -168.4 | 179.2 | -77.6 | -93 | 0 | 0 | 0 | 113.2 | ||||
| 367 | P | 49.9 | Very low | 35.9 | Very low | 106 Ų | 106 | 130 Ų | 130 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -127.2 | -137.3 | 0.7 | 27.6 | 1.1 | 0 | 0 | 0 | 113.8 | ||||
| 368 | E | 26.6 | Very low | 35.8 | Very low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | cis | -168.6 | 153.6 | 10.7 | -160.8 | 43.4 | 93.3 | 0 | 0 | 116.9 | ||||
| 369 | A | 27.9 | Very low | 35.6 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | 53.5 | 167.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 370 | A | 34.5 | Very low | 35.6 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -141.7 | -157.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 371 | P | 52.1 | Low | 35.4 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | cis | -134.3 | -145.4 | -16.6 | 42.2 | -21.3 | 0 | 0 | 0 | 113.9 | ||||
| 372 | V | 30.1 | Very low | 35 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | 120.9 | 162.7 | 161.8 | -178.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 373 | Q | 29.4 | Very low | 34.4 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -113.2 | 163.2 | -157.9 | -79.9 | -178.1 | 0.1 | 0 | 0 | 118 | ||||
| 374 | P | 54.6 | Low | 33.2 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -91.5 | -155.4 | 172.8 | 42.7 | -40.3 | 0 | 0 | 0 | 112.5 | ||||
| 375 | P | 48.5 | Very low | 33.1 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | cis | -145.5 | -157.4 | 3 | 44.5 | -21.6 | 0 | 0 | 0 | 117.6 | ||||
| 376 | A | 26.7 | Very low | 33.3 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | 107.3 | 132.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 377 | A | 29.5 | Very low | 33.4 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | 56.7 | 162.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 378 | E | 26.4 | Very low | 32.3 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | cis | -124.8 | -110.3 | 0.1 | -60 | 158.6 | 46.5 | 0 | 0 | 112.3 | ||||
| 379 | K | 27.5 | Very low | 32.3 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 68% | 0.683 | 77% | 0.765 | S | S | * | * | cis | -165.3 | 121.6 | -5.5 | -148.7 | 154.6 | -176.4 | 73.8 | 0 | 115.5 | ||||
| 380 | A | 28.5 | Very low | 33.3 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | 62.8 | 163.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 381 | K | 27.7 | Very low | 34 | Very low | 207 Ų | 207 | 132.2 Ų | 132.2 | 90% | 0.9 | 76% | 0.757 | S | S | * | * | cis | -163.4 | 169.8 | -18.4 | -111.6 | 176.1 | -179.6 | -179.5 | 0 | 112 | ||||
| 382 | S | 25.1 | Very low | 32.8 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -83.7 | 162.4 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 383 | P | 42.3 | Very low | 32.6 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | -134.3 | 161.1 | 98.2 | 12.3 | 11.6 | 0 | 0 | 0 | 113.5 | |||||
| 384 | V | 27.9 | Very low | 33.2 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | 78.2 | 127.3 | 46 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 385 | R | 26.1 | Very low | 31.9 | Very low | 204 Ų | 204 | 135.2 Ų | 135.2 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | cis | -164.5 | 174.1 | 36.2 | -150.6 | -176.9 | -171.6 | 121.5 | 4.3 | 114.2 | E387 | R385-E387 WeakPolarHBondContact CG-OE2 3.24Å; R385-E387 IonicContact NE-OE1 2.71Å; R385-E387 IonicContact NE-OE2 3.17Å | ||
| 386 | A | 31.6 | Very low | 31.9 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | trans | 77.3 | 150 | 139.4 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 387 | E | 27.8 | Very low | 33.5 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | cis | 163.3 | 129.6 | -24.2 | -97.8 | 129.2 | 53.8 | 0 | 0 | 106.6 | R385 | R385-E387 WeakPolarHBondContact CG-OE2 3.24Å; R385-E387 IonicContact NE-OE1 2.71Å; R385-E387 IonicContact NE-OE2 3.17Å | ||
| 388 | E | 26.9 | Very low | 33.3 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | cis | -159.3 | 163.2 | -10.8 | -53.6 | -169.8 | 95.4 | 0 | 0 | 112.7 | ||||
| 389 | D | 28.3 | Very low | 33.7 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | 80.2 | -177.7 | 146.3 | -130.6 | 24.6 | 0 | 0 | 0 | 124.1 | ||||
| 390 | P | 47.2 | Very low | 33.7 | Very low | 97 Ų | 97 | 133 Ų | 133 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | -135.8 | -141.5 | -115.3 | 49.6 | -28.9 | 0 | 0 | 0 | 114.7 | |||||
| 391 | P | 49.6 | Very low | 34 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | cis | -132 | -172.2 | -29.7 | 39.4 | -21.6 | 0 | 0 | 0 | 115.6 | ||||
| 392 | S | 27.6 | Very low | 35.3 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | 107.8 | 176 | 141.7 | 84.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 393 | K | 25.7 | Very low | 36.4 | Very low | 197 Ų | 197 | 130.7 Ų | 130.7 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | -136.7 | -175.5 | -155.8 | -128.6 | 177.4 | -173.9 | 169.9 | 0 | 107.8 | ||||
| 394 | P | 41.9 | Very low | 35.7 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | cis | -144.5 | 179.6 | -11.6 | 42 | -22.5 | 0 | 0 | 0 | 118 | ||||
| 395 | K | 27.1 | Very low | 35.8 | Very low | 199 Ų | 199 | 133.4 Ų | 133.4 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | trans | 84.9 | 154.9 | 139.7 | -90.8 | -177.9 | 174.2 | -175.9 | 0 | 124.3 | ||||
| 396 | P | 49.3 | Very low | 35.9 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | -110.4 | -145.2 | -179.1 | 47.4 | -35.8 | 0 | 0 | 0 | 110.9 | ||||
| 397 | P | 59.6 | Low | 35.7 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | cis | -135.3 | -158.1 | -13.2 | 42.2 | -22.3 | 0 | 0 | 0 | 113.6 | ||||
| 398 | T | 26.1 | Very low | 35.6 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | 179.4 | 158.7 | 133.7 | -76.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 399 | A | 33.9 | Very low | 35.6 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | -140.2 | 171.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 400 | T | 27.4 | Very low | 36 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | 155.7 | 105.9 | 150 | -73.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 401 | V | 34.4 | Very low | 35 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | 85 | -162.4 | 100.9 | -141.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 402 | P | 55.1 | Low | 34 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | -118 | -154.2 | -131.6 | 46.3 | -28.5 | 0 | 0 | 0 | 114.8 | ||||
| 403 | P | 47.8 | Very low | 33.9 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -144.7 | -173.8 | -2.6 | 42.4 | -20.2 | 0 | 0 | 0 | 119.5 | ||||
| 404 | E | 28.9 | Very low | 34.2 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 87.8 | 121.2 | 137.4 | -135.6 | 162.8 | 120.6 | 0 | 0 | 126.5 | ||||
| 405 | V | 30.5 | Very low | 33.5 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 43.6 | 124.8 | 141.8 | 177.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 406 | R | 26.2 | Very low | 34.1 | Very low | 229 Ų | 229 | 133.4 Ų | 133.4 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | 171.6 | 129.3 | 105.3 | -161.6 | 160.5 | -176.4 | 101.5 | 0.4 | 117.8 | |||||
| 407 | S | 28.7 | Very low | 33.5 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -11.4 | 142.4 | 155.2 | 170.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 408 | E | 25.8 | Very low | 32.2 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | -160.6 | 165.1 | 126 | -122.5 | -171.7 | 162.6 | 0 | 0 | 115.6 | |||||
| 409 | K | 26.3 | Very low | 32.7 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | -153.4 | 121.9 | 173.5 | 174.5 | -177.4 | 172.3 | 179.7 | 0 | 113.3 | ||||
| 410 | P | 36.3 | Very low | 32.7 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -122.5 | 177.9 | 133.8 | 39.7 | -30.4 | 0 | 0 | 0 | 109.6 | ||||
| 411 | Q | 26.6 | Very low | 33.5 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | cis | -145.5 | -152.6 | -7.4 | -154.2 | 63.4 | -22.8 | 0 | 0 | 109 | ||||
| 412 | Q | 29.8 | Very low | 33.8 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | trans | -158.8 | 158.6 | 176.6 | 173.9 | 173.2 | -17.2 | 0 | 0 | 109.4 | D414 | Q412-D414 PolarHBondContact NE2-OD2 2.81Š| ||
| 413 | G | 24.9 | Very low | 33.2 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | -166.1 | 125.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 414 | D | 31.6 | Very low | 33 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 65% | 0.647 | 77% | 0.768 | S | S | * | * | trans | -110.8 | 142.4 | -167.4 | -62.7 | -80.7 | 0 | 0 | 0 | 113.6 | Q412 | Q412-D414 PolarHBondContact NE2-OD2 2.81Š| ||
| 415 | T | 28 | Very low | 33.8 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 89% | 0.89 | 75% | 0.748 | S | S | * | * | trans | -171.9 | 155.1 | 143.3 | 12.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 416 | P | 39.6 | Very low | 34.5 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -102.6 | 153.3 | -162.3 | 38 | -35 | 0 | 0 | 0 | 115.7 | ||||
| 417 | P | 36 | Very low | 35.4 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | trans | -83.4 | 139.5 | 165.9 | 33.5 | -32.6 | 0 | 0 | 0 | 112.1 | ||||
| 418 | Q | 31.6 | Very low | 36.2 | Very low | 185 Ų | 185 | 123 Ų | 123 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | trans | -99 | 112.7 | -173.3 | -160.7 | 176.8 | 20.6 | 0 | 0 | 112.8 | G420 | Q418-G420 PolarHBondContact O-N 3.48Š| ||
| 419 | Q | 38.4 | Very low | 37.2 | Very low | 161 Ų | 161 | 118.4 Ų | 118.4 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | trans | 46.6 | 61.4 | 146.2 | -160.8 | 168.9 | -33.5 | 0 | 0 | 119.2 | K421 | Q419-K421 VanDerWaalsContact C-N 3.29Å; Q419-K421 HydrophobicContact CG-CB 4.46Å; Q419-K421 PolarHBondContact O-N 2.71Å | ||
| 420 | G | 32.3 | Very low | 38.1 | Very low | 66 Ų | 66 | 112 Ų | 112 | 68% | 0.68 | 66% | 0.664 | S | S | * | * | trans | -73.1 | 64.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q418 G422 | Q418-G420 PolarHBondContact O-N 3.48Å; G420-G422 PolarHBondContact O-N 3.28Å | ||
| 421 | K | 45.9 | Very low | 38.7 | Very low | 194 Ų | 194 | 110.3 Ų | 110.3 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 52 | -173.7 | -157.2 | 176.8 | -177 | 177.9 | 0 | 114 | Q419 | Q419-K421 VanDerWaalsContact C-N 3.29Å; Q419-K421 HydrophobicContact CG-CB 4.46Å; Q419-K421 PolarHBondContact O-N 2.71Å |
| 422 | G | 40.5 | Very low | 39.7 | Very low | 59 Ų | 59 | 107.7 Ų | 107.7 | 61% | 0.608 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | -29.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | G420 L424 | G420-G422 PolarHBondContact O-N 3.28Å; G422-L424 PolarHBondContact O-N 2.79Å |
| 423 | E | 41 | Very low | 40.5 | Very low | 149 Ų | 149 | 106.7 Ų | 106.7 | 70% | 0.696 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -17.3 | -171.7 | -66.1 | -176.5 | 91.1 | 0 | 0 | 114.7 | G425 K426 A427 | E423-G425 PolarHBondContact O-N 3.36Å; E423-K426 PolarHBondContact O-N 3.44Å; E423-A427 WeakPolarHBondContact O-CB 3.35Å; E423-A427 PolarHBondContact O-N 2.91Å |
| 424 | L | 45.1 | Very low | 41.5 | Very low | 154 Ų | 154 | 110.5 Ų | 110.5 | 81% | 0.806 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -53.2 | -34.8 | -169.8 | -152.1 | 85.6 | 0 | 0 | 0 | 113.6 | G422 A428 | G422-L424 PolarHBondContact O-N 2.79Å; L424-A428 WeakPolarHBondContact O-CB 3.16Å; L424-A428 PolarHBondContact O-N 2.84Å |
| 425 | G | 45.7 | Very low | 42.1 | Very low | 40 Ų | 40 | 105.8 Ų | 105.8 | 41% | 0.412 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70 | -49.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E423 A428 V429 | E423-G425 PolarHBondContact O-N 3.36Å; G425-A428 PolarHBondContact O-N 2.77Å; G425-V429 WeakPolarHBondContact O-CG2 3.31Å; G425-V429 PolarHBondContact O-N 3.43Å |
| 426 | K | 43.9 | Very low | 43.3 | Very low | 81 Ų | 81 | 104.3 Ų | 104.3 | 35% | 0.352 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.5 | -43.5 | -177.3 | -64.1 | 178 | 177.4 | -171.5 | 0 | 110.6 | E423 A428 A430 A511 M515 | E423-K426 PolarHBondContact O-N 3.44Å; K426-A428 VanDerWaalsContact C-N 3.33Å; K426-A428 PolarHBondContact O-N 2.75Å; K426-A430 WeakPolarHBondContact O-CB 3.35Å; K426-A430 PolarHBondContact O-N 3.22Å; K426-A511 PolarHBondContact NZ-O 2.61Å; K426-A511 VanDerWaalsContact NZ-O 3.12Å; K426-M515 HydrophobicContact CD-CE 4.16Å; K426-M515 HydrophobicContact CD-SD 3.52Å; K426-M515 VanDerWaalsContact CD-SD 3.52Å; K426-M515 WeakPolarHBondContact CE-SD 3.38Å; K426-M515 HydrophobicContact CG-CE 4.43Å; K426-M515 HydrophobicContact CG-SD 4.36Å; K426-M515 PolarHBondContact NZ-SD 2.98Å |
| 427 | A | 45 | Very low | 44.1 | Very low | 56 Ų | 56 | 101.3 Ų | 101.3 | 46% | 0.463 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62 | -37 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E423 A431 | E423-A427 WeakPolarHBondContact O-CB 3.35Å; E423-A427 PolarHBondContact O-N 2.91Å; A427-A431 WeakPolarHBondContact O-CB 3.3Å; A427-A431 PolarHBondContact O-N 3.46Å |
| 428 | A | 47.1 | Very low | 45.5 | Very low | 57 Ų | 57 | 102.9 Ų | 102.9 | 47% | 0.471 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.3 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L424 G425 K426 A431 L432 | L424-A428 WeakPolarHBondContact O-CB 3.16Å; L424-A428 PolarHBondContact O-N 2.84Å; G425-A428 PolarHBondContact O-N 2.77Å; K426-A428 VanDerWaalsContact C-N 3.33Å; K426-A428 PolarHBondContact O-N 2.75Å; A428-A431 PolarHBondContact O-N 2.82Å; A428-L432 WeakPolarHBondContact O-CB 3.28Å; A428-L432 PolarHBondContact O-N 3.42Å |
| 429 | V | 44.9 | Very low | 47.2 | Very low | 91 Ų | 91 | 100.5 Ų | 100.5 | 55% | 0.552 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.7 | -39.4 | 179.2 | -156 | 0 | 0 | 0 | 0 | 111.3 | G425 L432 L433 | G425-V429 WeakPolarHBondContact O-CG2 3.31Å; G425-V429 PolarHBondContact O-N 3.43Å; V429-L432 WeakPolarHBondContact O-CB 3.26Å; V429-L432 PolarHBondContact O-N 2.82Å; V429-L433 PolarHBondContact O-N 3.28Å; V429-L433 VanDerWaalsContact O-N 3.15Å |
| 430 | A | 46.9 | Very low | 48.6 | Very low | 48 Ų | 48 | 98 Ų | 98 | 40% | 0.397 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.6 | -50.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K426 L432 L433 E434 | K426-A430 WeakPolarHBondContact O-CB 3.35Å; K426-A430 PolarHBondContact O-N 3.22Å; A430-L432 PolarHBondContact O-N 3.45Å; A430-L433 PolarHBondContact O-N 2.8Å; A430-E434 VanDerWaalsContact O-CB 3.24Å; A430-E434 WeakPolarHBondContact O-CB 3.27Å; A430-E434 PolarHBondContact O-N 3.35Å |
| 431 | A | 47.7 | Very low | 50.4 | Low | 64 Ų | 64 | 97 Ų | 97 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.2 | -19.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | A427 A428 G435 | A427-A431 WeakPolarHBondContact O-CB 3.3Å; A427-A431 PolarHBondContact O-N 3.46Å; A428-A431 PolarHBondContact O-N 2.82Å; A431-G435 WeakPolarHBondContact O-CA 3.26Å; A431-G435 PolarHBondContact O-N 2.75Å |
| 432 | L | 47.5 | Very low | 51.8 | Low | 118 Ų | 118 | 91.2 Ų | 91.2 | 62% | 0.618 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -74.2 | -44.6 | 172 | -135.3 | 166.6 | 0 | 0 | 0 | 110.9 | A428 V429 A430 F436 | A428-L432 WeakPolarHBondContact O-CB 3.28Å; A428-L432 PolarHBondContact O-N 3.42Å; V429-L432 WeakPolarHBondContact O-CB 3.26Å; V429-L432 PolarHBondContact O-N 2.82Å; A430-L432 PolarHBondContact O-N 3.45Å; L432-F436 PolarHBondContact O-N 3.31Å |
| 433 | L | 46.8 | Very low | 53.4 | Low | 134 Ų | 134 | 90 Ų | 90 | 70% | 0.702 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75 | -46 | 178.7 | -74.1 | 162.4 | 0 | 0 | 0 | 112.4 | V429 A430 G435 F436 | V429-L433 PolarHBondContact O-N 3.28Å; V429-L433 VanDerWaalsContact O-N 3.15Å; A430-L433 PolarHBondContact O-N 2.8Å; L433-G435 VanDerWaalsContact C-N 3.28Å; L433-F436 WeakPolarHBondContact O-CB 3.21Å; L433-F436 PolarHBondContact O-N 3.45Å; L433-F436 VanDerWaalsContact O-N 3.14Å |
| 434 | E | 45.7 | Very low | 54.9 | Low | 154 Ų | 154 | 83.9 Ų | 83.9 | 72% | 0.72 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -75.5 | -22 | 177.3 | -163.1 | 155.7 | -146.1 | 0 | 0 | 111.9 | A430 F436 S437 | A430-E434 VanDerWaalsContact O-CB 3.24Å; A430-E434 WeakPolarHBondContact O-CB 3.27Å; A430-E434 PolarHBondContact O-N 3.35Å; E434-F436 PolarHBondContact O-N 3.47Å; E434-S437 WeakPolarHBondContact O-CA 3.36Å; E434-S437 PolarHBondContact O-N 2.82Å; E434-S437 PolarHBondContact O-OG 3.44Å |
| 435 | G | 45.2 | Very low | 56.3 | Low | 23 Ų | 23 | 78.3 Ų | 78.3 | 24% | 0.237 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114 | A431 L433 S437 K440 | A431-G435 WeakPolarHBondContact O-CA 3.26Å; A431-G435 PolarHBondContact O-N 2.75Å; L433-G435 VanDerWaalsContact C-N 3.28Å; G435-S437 PolarHBondContact O-N 3.19Å; G435-S437 VanDerWaalsContact O-N 3.09Å; G435-S437 PolarHBondContact O-OG 2.83Å; G435-K440 WeakPolarHBondContact O-CD 3.29Å; G435-K440 WeakPolarHBondContact O-CE 3.37Å; G435-K440 PolarHBondContact O-NZ 3.23Å |
| 436 | F | 53 | Low | 57.6 | Low | 114 Ų | 114 | 81.3 Ų | 81.3 | 50% | 0.5 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -80.3 | 45.9 | 161.6 | -94.1 | -90 | 0 | 0 | 0 | 111 | L432 L433 E434 L444 | L432-F436 PolarHBondContact O-N 3.31Å; L433-F436 WeakPolarHBondContact O-CB 3.21Å; L433-F436 PolarHBondContact O-N 3.45Å; L433-F436 VanDerWaalsContact O-N 3.14Å; E434-F436 PolarHBondContact O-N 3.47Å; F436-L444 HydrophobicContact CE1-CD2 4.45Å |
| 437 | S | 55.3 | Low | 59.1 | Low | 49 Ų | 49 | 81 Ų | 81 | 34% | 0.343 | 44% | 0.441 | S | S | . | . | trans | -50.7 | 143 | -175 | -36.3 | 0 | 0 | 0 | 0 | 111.4 | E434 G435 Q439 K440 A441 | E434-S437 WeakPolarHBondContact O-CA 3.36Å; E434-S437 PolarHBondContact O-N 2.82Å; E434-S437 PolarHBondContact O-OG 3.44Å; G435-S437 PolarHBondContact O-N 3.19Å; G435-S437 VanDerWaalsContact O-N 3.09Å; G435-S437 PolarHBondContact O-OG 2.83Å; S437-Q439 CarbonylContact O-C 3.5Å; S437-Q439 PolarHBondContact O-N 2.78Å; S437-K440 WeakPolarHBondContact O-CA 3.5Å; S437-K440 WeakPolarHBondContact O-CB 3.24Å; S437-K440 PolarHBondContact O-N 2.83Å; S437-A441 PolarHBondContact O-N 3.41Å | ||
| 438 | K | 65.6 | Low | 60.5 | Low | 164 Ų | 164 | 87 Ų | 87 | 71% | 0.713 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -49 | -40.9 | -173.4 | -169.5 | -179.1 | 179.2 | -175.1 | 0 | 113.4 | A441 I442 | K438-A441 PolarHBondContact O-N 3.48Å; K438-I442 HydrophobicContact CG-CD1 4.11Å; K438-I442 VanDerWaalsContact O-CG1 3.29Å; K438-I442 WeakPolarHBondContact O-CG1 3.13Å; K438-I442 PolarHBondContact O-N 2.83Å |
| 439 | Q | 66.4 | Low | 61.9 | Low | 134 Ų | 134 | 88.4 Ų | 88.4 | 63% | 0.626 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -56.7 | -51.6 | 171 | -95.9 | 70.5 | -4.2 | 0 | 0 | 112.6 | S437 A441 I442 D443 | S437-Q439 CarbonylContact O-C 3.5Å; S437-Q439 PolarHBondContact O-N 2.78Å; Q439-A441 VanDerWaalsContact C-N 3.35Å; Q439-A441 PolarHBondContact O-N 2.99Å; Q439-I442 CarbonylContact O-C 3.51Å; Q439-I442 WeakPolarHBondContact O-CB 3.35Å; Q439-I442 PolarHBondContact O-N 3.25Å; Q439-D443 WeakPolarHBondContact O-CB 3.25Å; Q439-D443 PolarHBondContact O-N 2.76Å |
| 440 | K | 68.3 | Low | 63.4 | Low | 108 Ų | 108 | 88.4 Ų | 88.4 | 47% | 0.47 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 176.8 | -61.8 | -170.2 | -158.8 | 162.1 | 0 | 112.2 | G435 S437 I442 D443 L444 | G435-K440 WeakPolarHBondContact O-CD 3.29Å; G435-K440 WeakPolarHBondContact O-CE 3.37Å; G435-K440 PolarHBondContact O-NZ 3.23Å; S437-K440 WeakPolarHBondContact O-CA 3.5Å; S437-K440 WeakPolarHBondContact O-CB 3.24Å; S437-K440 PolarHBondContact O-N 2.83Å; K440-I442 VanDerWaalsContact C-N 3.28Å; K440-I442 PolarHBondContact O-N 2.72Å; K440-D443 PolarHBondContact O-N 2.88Å; K440-L444 HydrophobicContact CB-CD1 4.46Å; K440-L444 WeakPolarHBondContact O-CB 3.48Å; K440-L444 WeakPolarHBondContact O-CD1 3.33Å; K440-L444 PolarHBondContact O-N 2.91Å |
| 441 | A | 70.1 | Confident | 64.9 | Low | 46 Ų | 46 | 95.5 Ų | 95.5 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | S437 K438 Q439 L445 | S437-A441 PolarHBondContact O-N 3.41Å; K438-A441 PolarHBondContact O-N 3.48Å; Q439-A441 VanDerWaalsContact C-N 3.35Å; Q439-A441 PolarHBondContact O-N 2.99Å; A441-L445 WeakPolarHBondContact O-CB 3.22Å; A441-L445 PolarHBondContact O-N 2.85Å |
| 442 | I | 75.1 | Confident | 66.3 | Low | 72 Ų | 72 | 98.2 Ų | 98.2 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 173.2 | -67.9 | 165.5 | 0 | 0 | 0 | 111.2 | K438 Q439 K440 L444 L445 Y446 | K438-I442 HydrophobicContact CG-CD1 4.11Å; K438-I442 VanDerWaalsContact O-CG1 3.29Å; K438-I442 WeakPolarHBondContact O-CG1 3.13Å; K438-I442 PolarHBondContact O-N 2.83Å; Q439-I442 CarbonylContact O-C 3.51Å; Q439-I442 WeakPolarHBondContact O-CB 3.35Å; Q439-I442 PolarHBondContact O-N 3.25Å; K440-I442 VanDerWaalsContact C-N 3.28Å; K440-I442 PolarHBondContact O-N 2.72Å; I442-L444 VanDerWaalsContact C-N 3.28Å; I442-L444 PolarHBondContact O-N 2.96Å; I442-L445 WeakPolarHBondContact O-CB 3.28Å; I442-L445 PolarHBondContact O-N 3.41Å; I442-Y446 HydrophobicContact CG2-CD2 3.76Å; I442-Y446 HydrophobicContact CG2-CE2 4.07Å; I442-Y446 WeakPolarHBondContact O-CD2 3.21Å; I442-Y446 PolarHBondContact O-N 2.82Å |
| 443 | D | 74.3 | Confident | 68 | Low | 35 Ų | 35 | 92.6 Ų | 92.6 | 19% | 0.187 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.6 | -27.3 | -179.9 | -67.7 | -31.2 | 0 | 0 | 0 | 112.8 | Q439 K440 W447 R448 | Q439-D443 WeakPolarHBondContact O-CB 3.25Å; Q439-D443 PolarHBondContact O-N 2.76Å; K440-D443 PolarHBondContact O-N 2.88Å; D443-W447 PolarHBondContact O-N 3.12Å; D443-R448 HydrophobicContact CB-CB 3.98Å; D443-R448 VanDerWaalsContact O-CB 3.26Å; D443-R448 WeakPolarHBondContact O-CB 3.46Å; D443-R448 PolarHBondContact O-N 3.48Å; D443-R448 WeakPolarHBondContact OD1-CD 3.19Å; D443-R448 IonicContact OD1-CZ 3.62Å; D443-R448 IonicContact OD1-NE 3.73Å; D443-R448 IonicContact OD1-NH1 2.73Å; D443-R448 PolarHBondContact OD1-NH1 3.46Å |
| 444 | L | 72.4 | Confident | 69.8 | Low | 20 Ų | 20 | 86.9 Ų | 86.9 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -72.6 | -44 | 167.7 | -92.6 | 79.8 | 0 | 0 | 0 | 111 | F436 K440 I442 Y446 W447 S453 V456 F585 | F436-L444 HydrophobicContact CE1-CD2 4.45Å; K440-L444 HydrophobicContact CB-CD1 4.46Å; K440-L444 WeakPolarHBondContact O-CB 3.48Å; K440-L444 WeakPolarHBondContact O-CD1 3.33Å; K440-L444 PolarHBondContact O-N 2.91Å; I442-L444 VanDerWaalsContact C-N 3.28Å; I442-L444 PolarHBondContact O-N 2.96Å; L444-Y446 VanDerWaalsContact C-N 3.35Å; L444-Y446 PolarHBondContact O-N 3.4Å; L444-W447 PolarHBondContact O-N 3.28Å; L444-S453 VanDerWaalsContact O-CB 3.23Å; L444-S453 WeakPolarHBondContact O-CB 3.43Å; L444-V456 HydrophobicContact CD2-CB 3.8Å; L444-V456 HydrophobicContact CD2-CG1 3.8Å; L444-V456 HydrophobicContact CD2-CG2 4Å; L444-F585 HydrophobicContact CB-CE1 4.35Å |
| 445 | L | 74.4 | Confident | 71.8 | Confident | 37 Ų | 37 | 82.3 Ų | 82.3 | 19% | 0.194 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | -179.5 | -150.4 | 77.2 | 0 | 0 | 0 | 112.9 | A441 I442 W447 M584 F585 P588 V589 | A441-L445 WeakPolarHBondContact O-CB 3.22Å; A441-L445 PolarHBondContact O-N 2.85Å; I442-L445 WeakPolarHBondContact O-CB 3.28Å; I442-L445 PolarHBondContact O-N 3.41Å; L445-W447 VanDerWaalsContact C-N 3.28Å; L445-M584 HydrophobicContact CD1-CG 4.06Å; L445-M584 VanDerWaalsContact CD1-O 3.3Å; L445-M584 WeakPolarHBondContact CD1-O 3.47Å; L445-M584 WeakPolarHBondContact CG-O 3.49Å; L445-F585 HydrophobicContact CD1-CD1 4.06Å; L445-F585 HydrophobicContact CD1-CD2 3.84Å; L445-F585 HydrophobicContact CD1-CE1 4.1Å; L445-F585 HydrophobicContact CD1-CE2 3.88Å; L445-F585 HydrophobicContact CD1-CG 3.94Å; L445-F585 HydrophobicContact CD1-CZ 4.02Å; L445-P588 HydrophobicContact CD2-CG 4.26Å; L445-P588 HydrophobicContact CG-CG 4.11Å; L445-V589 WeakPolarHBondContact O-CG2 3.48Å |
| 446 | Y | 73.8 | Confident | 73.7 | Confident | 103 Ų | 103 | 83.3 Ų | 83.3 | 40% | 0.404 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 11.3 | 173.3 | -77.7 | -95.6 | 0 | 0 | 0 | 113 | I442 L444 R448 P588 E592 | I442-Y446 HydrophobicContact CG2-CD2 3.76Å; I442-Y446 HydrophobicContact CG2-CE2 4.07Å; I442-Y446 WeakPolarHBondContact O-CD2 3.21Å; I442-Y446 PolarHBondContact O-N 2.82Å; L444-Y446 VanDerWaalsContact C-N 3.35Å; L444-Y446 PolarHBondContact O-N 3.4Å; Y446-R448 PolarHBondContact O-N 2.9Å; Y446-P588 HydrophobicContact CE1-CB 4.33Å; Y446-E592 VanDerWaalsContact CD1-CD 3.49Å; Y446-E592 HydrophobicContact CD1-CG 4.3Å; Y446-E592 WeakPolarHBondContact CD1-OE1 3.2Å; Y446-E592 HydrophobicContact CE1-CG 4.09Å; Y446-E592 WeakPolarHBondContact CE1-OE1 3.5Å |
| 447 | W | 75.5 | Confident | 75.3 | Confident | 73 Ų | 73 | 79 Ų | 79 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 26.2 | 174.9 | -77.3 | 55.1 | 0 | 0 | 0 | 115.7 | D443 L444 L445 N449 V450 S453 F457 F585 V589 | D443-W447 PolarHBondContact O-N 3.12Å; L444-W447 PolarHBondContact O-N 3.28Å; L445-W447 VanDerWaalsContact C-N 3.28Å; W447-N449 PolarHBondContact O-N 2.86Å; W447-N449 VanDerWaalsContact O-N 3.07Å; W447-V450 HydrophobicContact CE3-CG1 4.05Å; W447-V450 HydrophobicContact CZ3-CG1 4.24Å; W447-V450 VanDerWaalsContact O-CG2 3.28Å; W447-V450 WeakPolarHBondContact O-CG2 3.33Å; W447-V450 PolarHBondContact O-N 3.48Å; W447-V450 VanDerWaalsContact O-N 3.11Å; W447-S453 WeakPolarHBondContact CA-OG 3.41Å; W447-F457 HydrophobicContact CZ2-CD1 4.13Å; W447-F585 AromaticContact NE1-CD1 3.95Å; W447-V589 HydrophobicContact CB-CG2 4.05Å; W447-V589 VanDerWaalsContact CD1-CG2 3.47Å; W447-V589 HydrophobicContact CG-CG2 3.88Å |
| 448 | R | 74.3 | Confident | 76.8 | Confident | 183 Ų | 183 | 79.8 Ų | 79.8 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27.5 | -176.6 | -145.2 | 172.1 | -157.4 | 147.3 | 10.8 | 112.9 | D443 Y446 | D443-R448 HydrophobicContact CB-CB 3.98Å; D443-R448 VanDerWaalsContact O-CB 3.26Å; D443-R448 WeakPolarHBondContact O-CB 3.46Å; D443-R448 PolarHBondContact O-N 3.48Å; D443-R448 WeakPolarHBondContact OD1-CD 3.19Å; D443-R448 IonicContact OD1-CZ 3.62Å; D443-R448 IonicContact OD1-NE 3.73Å; D443-R448 IonicContact OD1-NH1 2.73Å; D443-R448 PolarHBondContact OD1-NH1 3.46Å; Y446-R448 PolarHBondContact O-N 2.9Å |
| 449 | N | 76.7 | Confident | 77.8 | Confident | 86 Ų | 86 | 75.3 Ų | 75.3 | 46% | 0.46 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 68.8 | 169.9 | -72.9 | -65.3 | 0 | 0 | 0 | 110.4 | W447 K451 Q452 S453 | W447-N449 PolarHBondContact O-N 2.86Å; W447-N449 VanDerWaalsContact O-N 3.07Å; N449-K451 PolarHBondContact O-N 3.28Å; N449-Q452 HydrophobicContact CB-CB 4.18Å; N449-Q452 WeakPolarHBondContact O-CA 3.49Å; N449-Q452 PolarHBondContact O-N 2.94Å; N449-S453 PolarHBondContact O-N 2.98Å; N449-S453 PolarHBondContact O-OG 2.82Å |
| 450 | V | 75.9 | Confident | 78.9 | Confident | 91 Ų | 91 | 71.5 Ų | 71.5 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -36.5 | -43.1 | -175.9 | 178.6 | 0 | 0 | 0 | 0 | 114.9 | W447 S453 G454 | W447-V450 HydrophobicContact CE3-CG1 4.05Å; W447-V450 HydrophobicContact CZ3-CG1 4.24Å; W447-V450 VanDerWaalsContact O-CG2 3.28Å; W447-V450 WeakPolarHBondContact O-CG2 3.33Å; W447-V450 PolarHBondContact O-N 3.48Å; W447-V450 VanDerWaalsContact O-N 3.11Å; V450-S453 WeakPolarHBondContact CA-OG 3.26Å; V450-S453 PolarHBondContact O-OG 2.93Å; V450-G454 WeakPolarHBondContact O-CA 3.26Å; V450-G454 PolarHBondContact O-N 3.36Å |
| 451 | K | 79.7 | Confident | 79.7 | Confident | 197 Ų | 197 | 68.6 Ų | 68.6 | 86% | 0.857 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.6 | -35 | 179.5 | -65.6 | -175.5 | 178.2 | -178.1 | 0 | 113.5 | N449 A455 | N449-K451 PolarHBondContact O-N 3.28Å; K451-A455 WeakPolarHBondContact O-CB 3.41Å; K451-A455 PolarHBondContact O-N 3.39Å |
| 452 | Q | 76 | Confident | 80.4 | Confident | 122 Ų | 122 | 72.2 Ų | 72.2 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -87.6 | -42.7 | 177.6 | -69.7 | -177.6 | -15.8 | 0 | 0 | 112 | N449 A455 V456 | N449-Q452 HydrophobicContact CB-CB 4.18Å; N449-Q452 WeakPolarHBondContact O-CA 3.49Å; N449-Q452 PolarHBondContact O-N 2.94Å; Q452-A455 PolarHBondContact O-N 2.92Å; Q452-V456 WeakPolarHBondContact O-CB 3.26Å; Q452-V456 WeakPolarHBondContact O-CG2 3.33Å; Q452-V456 PolarHBondContact O-N 3.39Å |
| 453 | S | 82.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 174.4 | 60.5 | 0 | 0 | 0 | 0 | 110.7 | L444 W447 N449 V450 A455 V456 F457 | L444-S453 VanDerWaalsContact O-CB 3.23Å; L444-S453 WeakPolarHBondContact O-CB 3.43Å; W447-S453 WeakPolarHBondContact CA-OG 3.41Å; N449-S453 PolarHBondContact O-N 2.98Å; N449-S453 PolarHBondContact O-OG 2.82Å; V450-S453 WeakPolarHBondContact CA-OG 3.26Å; V450-S453 PolarHBondContact O-OG 2.93Å; S453-A455 PolarHBondContact O-N 3.45Å; S453-V456 PolarHBondContact O-N 2.87Å; S453-F457 WeakPolarHBondContact O-CB 2.95Å; S453-F457 PolarHBondContact O-N 3.49Å |
| 454 | G | 86.2 | Confident | 81.3 | Confident | 14 Ų | 14 | 72.9 Ų | 72.9 | 14% | 0.144 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | V450 S458 | V450-G454 WeakPolarHBondContact O-CA 3.26Å; V450-G454 PolarHBondContact O-N 3.36Å; G454-S458 WeakPolarHBondContact O-CB 3.43Å; G454-S458 PolarHBondContact O-N 3.37Å; G454-S458 PolarHBondContact O-OG 3.36Å |
| 455 | A | 87 | Confident | 81.8 | Confident | 58 Ų | 58 | 77.7 Ų | 77.7 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K451 Q452 S453 S459 | K451-A455 WeakPolarHBondContact O-CB 3.41Å; K451-A455 PolarHBondContact O-N 3.39Å; Q452-A455 PolarHBondContact O-N 2.92Å; S453-A455 PolarHBondContact O-N 3.45Å; A455-S459 WeakPolarHBondContact O-CB 3.37Å; A455-S459 PolarHBondContact O-N 2.91Å; A455-S459 PolarHBondContact O-OG 3.37Å |
| 456 | V | 86.3 | Confident | 81.8 | Confident | 44 Ų | 44 | 78.1 Ų | 78.1 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.3 | -41.1 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | L444 Q452 S453 S459 V460 | L444-V456 HydrophobicContact CD2-CB 3.8Å; L444-V456 HydrophobicContact CD2-CG1 3.8Å; L444-V456 HydrophobicContact CD2-CG2 4Å; Q452-V456 WeakPolarHBondContact O-CB 3.26Å; Q452-V456 WeakPolarHBondContact O-CG2 3.33Å; Q452-V456 PolarHBondContact O-N 3.39Å; S453-V456 PolarHBondContact O-N 2.87Å; V456-S459 PolarHBondContact O-N 2.82Å; V456-S459 PolarHBondContact O-OG 3.35Å; V456-V460 HydrophobicContact CG1-CG2 4.46Å; V456-V460 WeakPolarHBondContact O-CB 3.4Å; V456-V460 VanDerWaalsContact O-CG2 3.29Å; V456-V460 WeakPolarHBondContact O-CG2 3.26Å; V456-V460 PolarHBondContact O-N 2.86Å |
| 457 | F | 86.2 | Confident | 81.9 | Confident | 23 Ų | 23 | 75 Ų | 75 | 10% | 0.101 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 171.8 | 177 | -109.5 | 0 | 0 | 0 | 110.6 | W447 S453 S459 V460 L461 V581 V582 F585 | W447-F457 HydrophobicContact CZ2-CD1 4.13Å; S453-F457 WeakPolarHBondContact O-CB 2.95Å; S453-F457 PolarHBondContact O-N 3.49Å; F457-S459 PolarHBondContact O-N 2.83Å; F457-V460 PolarHBondContact O-N 3.43Å; F457-L461 HydrophobicContact CE1-CD2 3.96Å; F457-L461 HydrophobicContact CZ-CD2 4.06Å; F457-L461 WeakPolarHBondContact O-CB 3.25Å; F457-L461 PolarHBondContact O-N 2.93Å; F457-V581 HydrophobicContact CE2-CG1 4.38Å; F457-V582 HydrophobicContact CZ-CG2 4.15Å; F457-F585 HydrophobicContact CB-CD1 4.3Å; F457-F585 HydrophobicContact CB-CE1 4.49Å; F457-F585 HydrophobicContact CD2-CB 3.61Å; F457-F585 HydrophobicContact CD2-CD1 4.02Å; F457-F585 AromaticContact CD2-CD2 3.78Å; F457-F585 HydrophobicContact CD2-CD2 3.78Å; F457-F585 HydrophobicContact CD2-CE2 4.44Å; F457-F585 AromaticContact CD2-CG 3.53Å; F457-F585 HydrophobicContact CD2-CG 3.53Å; F457-F585 HydrophobicContact CE2-CB 3.64Å; F457-F585 HydrophobicContact CE2-CD2 4.22Å; F457-F585 HydrophobicContact CE2-CG 4.03Å; F457-F585 HydrophobicContact CG-CB 4.45Å; F457-F585 HydrophobicContact CG-CD1 4.45Å; F457-F585 HydrophobicContact CG-CG 4.37Å |
| 458 | S | 86 | Confident | 81.8 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 46% | 0.462 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.3 | -35.2 | 179.7 | -56 | 0 | 0 | 0 | 0 | 112.9 | G454 L462 | G454-S458 WeakPolarHBondContact O-CB 3.43Å; G454-S458 PolarHBondContact O-N 3.37Å; G454-S458 PolarHBondContact O-OG 3.36Å; S458-L462 WeakPolarHBondContact O-CB 3.3Å; S458-L462 PolarHBondContact O-N 3.46Å |
| 459 | S | 87.4 | Confident | 81.5 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 48% | 0.483 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -73.4 | -37.9 | 178 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | A455 V456 F457 L463 | A455-S459 WeakPolarHBondContact O-CB 3.37Å; A455-S459 PolarHBondContact O-N 2.91Å; A455-S459 PolarHBondContact O-OG 3.37Å; V456-S459 PolarHBondContact O-N 2.82Å; V456-S459 PolarHBondContact O-OG 3.35Å; F457-S459 PolarHBondContact O-N 2.83Å; S459-L463 VanDerWaalsContact O-CB 3.24Å; S459-L463 WeakPolarHBondContact O-CB 3.42Å; S459-L463 PolarHBondContact O-N 2.84Å |
| 460 | V | 88.3 | Confident | 81 | Confident | 54 Ų | 54 | 73.1 Ų | 73.1 | 33% | 0.327 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 171.1 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | V456 F457 L462 L463 L464 V581 | V456-V460 HydrophobicContact CG1-CG2 4.46Å; V456-V460 WeakPolarHBondContact O-CB 3.4Å; V456-V460 VanDerWaalsContact O-CG2 3.29Å; V456-V460 WeakPolarHBondContact O-CG2 3.26Å; V456-V460 PolarHBondContact O-N 2.86Å; F457-V460 PolarHBondContact O-N 3.43Å; V460-L462 PolarHBondContact O-N 3.31Å; V460-L463 PolarHBondContact O-N 3.45Å; V460-L464 HydrophobicContact CG1-CD1 4.16Å; V460-L464 WeakPolarHBondContact O-CD1 3.47Å; V460-L464 PolarHBondContact O-N 2.97Å; V460-V581 HydrophobicContact CG1-CG1 4.15Å |
| 461 | L | 86.2 | Confident | 80.7 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 178.9 | -167.7 | 70.9 | 0 | 0 | 0 | 111.8 | F457 F465 I578 V582 | F457-L461 HydrophobicContact CE1-CD2 3.96Å; F457-L461 HydrophobicContact CZ-CD2 4.06Å; F457-L461 WeakPolarHBondContact O-CB 3.25Å; F457-L461 PolarHBondContact O-N 2.93Å; L461-F465 WeakPolarHBondContact O-CB 3.24Å; L461-F465 PolarHBondContact O-N 2.67Å; L461-I578 HydrophobicContact CD1-CG2 3.92Å; L461-V582 HydrophobicContact CD1-CG2 3.61Å |
| 462 | L | 85.4 | Confident | 80 | Confident | 122 Ų | 122 | 66.3 Ų | 66.3 | 64% | 0.639 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.3 | -34.7 | 175.3 | -175.8 | 149 | 0 | 0 | 0 | 112 | S458 V460 S466 | S458-L462 WeakPolarHBondContact O-CB 3.3Å; S458-L462 PolarHBondContact O-N 3.46Å; V460-L462 PolarHBondContact O-N 3.31Å; L462-S466 WeakPolarHBondContact O-CB 3.34Å; L462-S466 PolarHBondContact O-N 3.31Å |
| 463 | L | 85.3 | Confident | 79.6 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -49 | 172 | 176.4 | 61.7 | 0 | 0 | 0 | 111.2 | S459 V460 S466 L467 | S459-L463 VanDerWaalsContact O-CB 3.24Å; S459-L463 WeakPolarHBondContact O-CB 3.42Å; S459-L463 PolarHBondContact O-N 2.84Å; V460-L463 PolarHBondContact O-N 3.45Å; L463-S466 WeakPolarHBondContact O-CB 3.31Å; L463-S466 PolarHBondContact O-N 3.1Å; L463-L467 HydrophobicContact CD1-CD1 4.4Å; L463-L467 HydrophobicContact CG-CD1 4.28Å; L463-L467 VanDerWaalsContact O-CG 3.31Å; L463-L467 WeakPolarHBondContact O-CG 3.3Å; L463-L467 PolarHBondContact O-N 2.88Å |
| 464 | L | 82.7 | Confident | 78.9 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.4 | -40 | 175.8 | -91.6 | 58.6 | 0 | 0 | 0 | 111.7 | V460 L467 T468 L574 L577 I578 V581 | V460-L464 HydrophobicContact CG1-CD1 4.16Å; V460-L464 WeakPolarHBondContact O-CD1 3.47Å; V460-L464 PolarHBondContact O-N 2.97Å; L464-L467 WeakPolarHBondContact O-CB 3.46Å; L464-L467 PolarHBondContact O-N 3.35Å; L464-T468 PolarHBondContact O-N 3.1Å; L464-L574 HydrophobicContact CB-CD2 4.27Å; L464-L574 HydrophobicContact CG-CD2 4.38Å; L464-L574 WeakPolarHBondContact O-CD2 3.12Å; L464-L577 HydrophobicContact CD2-CD2 4.14Å; L464-L577 HydrophobicContact CD2-CG 3.94Å; L464-L577 HydrophobicContact CG-CD2 4.37Å; L464-I578 HydrophobicContact CB-CD1 4.31Å; L464-I578 HydrophobicContact CB-CG1 3.78Å; L464-I578 HydrophobicContact CD2-CG1 4.21Å; L464-I578 HydrophobicContact CG-CG1 4.5Å; L464-V581 HydrophobicContact CD2-CB 4.38Å; L464-V581 HydrophobicContact CD2-CG2 3.89Å |
| 465 | F | 81.6 | Confident | 78.1 | Confident | 121 Ų | 121 | 70.2 Ų | 70.2 | 53% | 0.531 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 175 | -177.2 | -100.4 | 0 | 0 | 0 | 111.8 | L461 L467 T468 Q469 | L461-F465 WeakPolarHBondContact O-CB 3.24Å; L461-F465 PolarHBondContact O-N 2.67Å; F465-L467 VanDerWaalsContact C-N 3.26Å; F465-L467 PolarHBondContact O-N 2.86Å; F465-T468 WeakPolarHBondContact O-CA 3.37Å; F465-T468 WeakPolarHBondContact O-CB 3.33Å; F465-T468 PolarHBondContact O-N 3.06Å; F465-T468 PolarHBondContact O-OG1 2.96Å; F465-Q469 HydrophobicContact CE1-CG 4.37Å; F465-Q469 PolarHBondContact O-N 3.34Å |
| 466 | S | 75.6 | Confident | 77.2 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.1 | -40.1 | 172.8 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | L462 L463 T468 Q469 F470 | L462-S466 WeakPolarHBondContact O-CB 3.34Å; L462-S466 PolarHBondContact O-N 3.31Å; L463-S466 WeakPolarHBondContact O-CB 3.31Å; L463-S466 PolarHBondContact O-N 3.1Å; S466-T468 PolarHBondContact O-N 2.66Å; S466-Q469 PolarHBondContact O-N 2.94Å; S466-F470 PolarHBondContact O-N 3.28Å |
| 467 | L | 76 | Confident | 76.5 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 19% | 0.194 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.1 | -14.4 | 173 | -69.3 | 163.1 | 0 | 0 | 0 | 114.1 | L463 L464 F465 F470 V472 V475 L574 | L463-L467 HydrophobicContact CD1-CD1 4.4Å; L463-L467 HydrophobicContact CG-CD1 4.28Å; L463-L467 VanDerWaalsContact O-CG 3.31Å; L463-L467 WeakPolarHBondContact O-CG 3.3Å; L463-L467 PolarHBondContact O-N 2.88Å; L464-L467 WeakPolarHBondContact O-CB 3.46Å; L464-L467 PolarHBondContact O-N 3.35Å; F465-L467 VanDerWaalsContact C-N 3.26Å; F465-L467 PolarHBondContact O-N 2.86Å; L467-F470 CarbonylContact C-O 3.28Å; L467-V472 HydrophobicContact CB-CG2 4.39Å; L467-V472 WeakPolarHBondContact O-CG2 3.47Å; L467-V475 HydrophobicContact CD2-CB 3.67Å; L467-V475 HydrophobicContact CD2-CG1 3.64Å; L467-V475 HydrophobicContact CD2-CG2 4.01Å; L467-L574 HydrophobicContact CB-CD1 3.83Å; L467-L574 WeakPolarHBondContact O-CD1 3.28Å |
| 468 | T | 71.6 | Confident | 75.7 | Confident | 37 Ų | 37 | 76.1 Ų | 76.1 | 23% | 0.227 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -78.2 | -27.4 | 167.9 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | L464 F465 S466 L574 T575 I578 | L464-T468 PolarHBondContact O-N 3.1Å; F465-T468 WeakPolarHBondContact O-CA 3.37Å; F465-T468 WeakPolarHBondContact O-CB 3.33Å; F465-T468 PolarHBondContact O-N 3.06Å; F465-T468 PolarHBondContact O-OG1 2.96Å; S466-T468 PolarHBondContact O-N 2.66Å; T468-L574 HydrophobicContact CG2-CD1 3.91Å; T468-L574 HydrophobicContact CG2-CD2 4.03Å; T468-L574 HydrophobicContact CG2-CG 4.39Å; T468-T575 HydrophobicContact CG2-CG2 4.47Å; T468-I578 HydrophobicContact CG2-CD1 3.51Å |
| 469 | Q | 68.4 | Low | 75 | Confident | 133 Ų | 133 | 79.1 Ų | 79.1 | 62% | 0.621 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -93.5 | -38.1 | -176.6 | -55.4 | -57.2 | -60.5 | 0 | 0 | 111.4 | F465 S466 | F465-Q469 HydrophobicContact CE1-CG 4.37Å; F465-Q469 PolarHBondContact O-N 3.34Å; S466-Q469 PolarHBondContact O-N 2.94Å |
| 470 | F | 67.3 | Low | 74.1 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 58% | 0.579 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -102.9 | 119.8 | 173 | -63.1 | -78.7 | 0 | 0 | 0 | 109.7 | S466 L467 V472 V475 | S466-F470 PolarHBondContact O-N 3.28Å; L467-F470 CarbonylContact C-O 3.28Å; F470-V472 PolarHBondContact O-N 3.12Å; F470-V475 HydrophobicContact CB-CG2 3.72Å |
| 471 | S | 68.7 | Low | 73.5 | Confident | 72 Ų | 72 | 80.4 Ų | 80.4 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | trans | -43.9 | 121 | -176.1 | 176.9 | 0 | 0 | 0 | 0 | 112.8 | V473 S474 V475 | S471-V473 PolarHBondContact O-N 2.82Å; S471-V473 VanDerWaalsContact O-N 3.07Å; S471-S474 PolarHBondContact O-N 2.66Å; S471-S474 PolarHBondContact O-OG 3.3Å; S471-V475 PolarHBondContact O-N 3.07Å | ||
| 472 | V | 65.9 | Low | 72.6 | Confident | 74 Ų | 74 | 80.5 Ų | 80.5 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -51.5 | -36.4 | 179.2 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | L467 F470 G476 L574 | L467-V472 HydrophobicContact CB-CG2 4.39Å; L467-V472 WeakPolarHBondContact O-CG2 3.47Å; F470-V472 PolarHBondContact O-N 3.12Å; V472-G476 PolarHBondContact O-N 3.11Å; V472-L574 HydrophobicContact CG2-CD1 3.39Å; V472-L574 HydrophobicContact CG2-CG 4.26Å |
| 473 | V | 67.8 | Low | 71.7 | Confident | 118 Ų | 118 | 77.5 Ų | 77.5 | 72% | 0.715 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 178.3 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | S471 A477 | S471-V473 PolarHBondContact O-N 2.82Å; S471-V473 VanDerWaalsContact O-N 3.07Å; V473-A477 WeakPolarHBondContact O-CB 3.4Å; V473-A477 PolarHBondContact O-N 3.02Å |
| 474 | S | 67.5 | Low | 71.2 | Confident | 45 Ų | 45 | 77.5 Ų | 77.5 | 32% | 0.315 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.3 | -40.3 | 178.9 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | S471 A477 Y478 | S471-S474 PolarHBondContact O-N 2.66Å; S471-S474 PolarHBondContact O-OG 3.3Å; S474-A477 PolarHBondContact O-N 3.46Å; S474-Y478 WeakPolarHBondContact O-CB 3.48Å; S474-Y478 WeakPolarHBondContact O-CD2 3.46Å; S474-Y478 PolarHBondContact O-N 3.09Å |
| 475 | V | 68.4 | Low | 71 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 33% | 0.327 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 177 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | L467 F470 S471 Y478 L479 | L467-V475 HydrophobicContact CD2-CB 3.67Å; L467-V475 HydrophobicContact CD2-CG1 3.64Å; L467-V475 HydrophobicContact CD2-CG2 4.01Å; F470-V475 HydrophobicContact CB-CG2 3.72Å; S471-V475 PolarHBondContact O-N 3.07Å; V475-Y478 PolarHBondContact O-N 3.18Å; V475-L479 WeakPolarHBondContact O-CB 3.4Å; V475-L479 PolarHBondContact O-N 2.96Å |
| 476 | G | 68.8 | Low | 70.5 | Confident | 41 Ų | 41 | 76.6 Ų | 76.6 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V472 L479 A480 | V472-G476 PolarHBondContact O-N 3.11Å; G476-L479 PolarHBondContact O-N 3.48Å; G476-A480 WeakPolarHBondContact O-CB 3.28Å; G476-A480 PolarHBondContact O-N 2.83Å |
| 477 | A | 71.5 | Confident | 70.5 | Confident | 46 Ų | 46 | 77.6 Ų | 77.6 | 38% | 0.38 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V473 S474 A480 L481 | V473-A477 WeakPolarHBondContact O-CB 3.4Å; V473-A477 PolarHBondContact O-N 3.02Å; S474-A477 PolarHBondContact O-N 3.46Å; A477-A480 PolarHBondContact O-N 3.35Å; A477-L481 WeakPolarHBondContact O-CB 3.26Å; A477-L481 VanDerWaalsContact O-CG 3.22Å; A477-L481 WeakPolarHBondContact O-CG 3.27Å; A477-L481 PolarHBondContact O-N 3.28Å |
| 478 | Y | 68.4 | Low | 70.5 | Confident | 162 Ų | 162 | 80.4 Ų | 80.4 | 64% | 0.635 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67 | -36.3 | 177.3 | -73.3 | -55.7 | 0 | 0 | 0 | 112.6 | S474 V475 L481 A482 | S474-Y478 WeakPolarHBondContact O-CB 3.48Å; S474-Y478 WeakPolarHBondContact O-CD2 3.46Å; S474-Y478 PolarHBondContact O-N 3.09Å; V475-Y478 PolarHBondContact O-N 3.18Å; Y478-L481 HydrophobicContact CD1-CD1 4.32Å; Y478-L481 PolarHBondContact O-N 2.66Å; Y478-A482 VanDerWaalsContact O-CB 3.31Å; Y478-A482 WeakPolarHBondContact O-CB 3.36Å; Y478-A482 PolarHBondContact O-N 3.41Å |
| 479 | L | 72.9 | Confident | 70.8 | Confident | 129 Ų | 129 | 82.2 Ų | 82.2 | 68% | 0.675 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.8 | -41.5 | 174 | -174 | 63 | 0 | 0 | 0 | 111.6 | V475 G476 A482 A483 | V475-L479 WeakPolarHBondContact O-CB 3.4Å; V475-L479 PolarHBondContact O-N 2.96Å; G476-L479 PolarHBondContact O-N 3.48Å; L479-A482 PolarHBondContact O-N 3.25Å; L479-A483 PolarHBondContact O-N 2.91Å |
| 480 | A | 68 | Low | 71 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | G476 A477 A482 A483 L484 | G476-A480 WeakPolarHBondContact O-CB 3.28Å; G476-A480 PolarHBondContact O-N 2.83Å; A477-A480 PolarHBondContact O-N 3.35Å; A480-A482 VanDerWaalsContact C-N 3.35Å; A480-A482 PolarHBondContact O-N 3.46Å; A480-A483 PolarHBondContact O-N 2.8Å; A480-L484 WeakPolarHBondContact O-CB 3.41Å; A480-L484 VanDerWaalsContact O-CG 3.31Å; A480-L484 WeakPolarHBondContact O-CG 3.49Å; A480-L484 PolarHBondContact O-N 3.28Å |
| 481 | L | 74.6 | Confident | 71.3 | Confident | 99 Ų | 99 | 79.8 Ų | 79.8 | 52% | 0.518 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 174.8 | -74.7 | 168.7 | 0 | 0 | 0 | 112.2 | A477 Y478 L484 S485 | A477-L481 WeakPolarHBondContact O-CB 3.26Å; A477-L481 VanDerWaalsContact O-CG 3.22Å; A477-L481 WeakPolarHBondContact O-CG 3.27Å; A477-L481 PolarHBondContact O-N 3.28Å; Y478-L481 HydrophobicContact CD1-CD1 4.32Å; Y478-L481 PolarHBondContact O-N 2.66Å; L481-L484 PolarHBondContact O-N 2.78Å; L481-S485 VanDerWaalsContact O-CB 3.31Å; L481-S485 WeakPolarHBondContact O-CB 3.16Å; L481-S485 PolarHBondContact O-N 3.02Å; L481-S485 PolarHBondContact O-OG 2.79Å |
| 482 | A | 68.2 | Low | 71.8 | Confident | 49 Ų | 49 | 81.2 Ų | 81.2 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y478 L479 A480 S485 A486 | Y478-A482 VanDerWaalsContact O-CB 3.31Å; Y478-A482 WeakPolarHBondContact O-CB 3.36Å; Y478-A482 PolarHBondContact O-N 3.41Å; L479-A482 PolarHBondContact O-N 3.25Å; A480-A482 VanDerWaalsContact C-N 3.35Å; A480-A482 PolarHBondContact O-N 3.46Å; A482-S485 WeakPolarHBondContact CA-OG 3.19Å; A482-S485 PolarHBondContact O-OG 3.45Å; A482-S485 VanDerWaalsContact O-OG 3.1Å; A482-A486 VanDerWaalsContact O-CB 3.26Å; A482-A486 WeakPolarHBondContact O-CB 3.37Å; A482-A486 PolarHBondContact O-N 3.46Å |
| 483 | A | 67.3 | Low | 72.4 | Confident | 58 Ų | 58 | 84.4 Ų | 84.4 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L479 A480 T487 | L479-A483 PolarHBondContact O-N 2.91Å; A480-A483 PolarHBondContact O-N 2.8Å; A483-T487 WeakPolarHBondContact O-CB 3.46Å; A483-T487 PolarHBondContact O-N 2.83Å; A483-T487 PolarHBondContact O-OG1 3.39Å |
| 484 | L | 74.4 | Confident | 72.3 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 53% | 0.529 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 174.5 | -72.8 | 171.1 | 0 | 0 | 0 | 111.8 | A480 L481 T487 I488 | A480-L484 WeakPolarHBondContact O-CB 3.41Å; A480-L484 VanDerWaalsContact O-CG 3.31Å; A480-L484 WeakPolarHBondContact O-CG 3.49Å; A480-L484 PolarHBondContact O-N 3.28Å; L481-L484 PolarHBondContact O-N 2.78Å; L484-T487 WeakPolarHBondContact O-CB 3.23Å; L484-T487 PolarHBondContact O-N 3.14Å; L484-I488 WeakPolarHBondContact O-CB 3.31Å; L484-I488 VanDerWaalsContact O-CG1 3.28Å; L484-I488 WeakPolarHBondContact O-CG1 3.11Å; L484-I488 PolarHBondContact O-N 3.27Å |
| 485 | S | 77.1 | Confident | 72.1 | Confident | 64 Ų | 64 | 83.8 Ų | 83.8 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 178.7 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | L481 A482 T487 I488 S489 | L481-S485 VanDerWaalsContact O-CB 3.31Å; L481-S485 WeakPolarHBondContact O-CB 3.16Å; L481-S485 PolarHBondContact O-N 3.02Å; L481-S485 PolarHBondContact O-OG 2.79Å; A482-S485 WeakPolarHBondContact CA-OG 3.19Å; A482-S485 PolarHBondContact O-OG 3.45Å; A482-S485 VanDerWaalsContact O-OG 3.1Å; S485-T487 VanDerWaalsContact C-N 3.3Å; S485-T487 PolarHBondContact O-N 3.41Å; S485-I488 PolarHBondContact O-N 3.19Å; S485-S489 VanDerWaalsContact O-CB 3.32Å; S485-S489 WeakPolarHBondContact O-CB 3.33Å; S485-S489 PolarHBondContact O-N 2.97Å; S485-S489 PolarHBondContact O-OG 2.64Å; S485-S489 VanDerWaalsContact O-OG 3.06Å |
| 486 | A | 72.9 | Confident | 72.2 | Confident | 59 Ų | 59 | 85 Ų | 85 | 49% | 0.488 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | A482 F490 | A482-A486 VanDerWaalsContact O-CB 3.26Å; A482-A486 WeakPolarHBondContact O-CB 3.37Å; A482-A486 PolarHBondContact O-N 3.46Å; A486-F490 VanDerWaalsContact O-CB 3.3Å; A486-F490 WeakPolarHBondContact O-CB 3.28Å; A486-F490 PolarHBondContact O-N 3.31Å |
| 487 | T | 73.8 | Confident | 72.2 | Confident | 67 Ų | 67 | 85.7 Ų | 85.7 | 41% | 0.411 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | A483 L484 S485 F490 R491 F509 | A483-T487 WeakPolarHBondContact O-CB 3.46Å; A483-T487 PolarHBondContact O-N 2.83Å; A483-T487 PolarHBondContact O-OG1 3.39Å; L484-T487 WeakPolarHBondContact O-CB 3.23Å; L484-T487 PolarHBondContact O-N 3.14Å; S485-T487 VanDerWaalsContact C-N 3.3Å; S485-T487 PolarHBondContact O-N 3.41Å; T487-F490 PolarHBondContact O-N 2.87Å; T487-R491 PolarHBondContact O-N 2.86Å; T487-F509 HydrophobicContact CG2-CE1 4.15Å; T487-F509 HydrophobicContact CG2-CE2 3.97Å; T487-F509 HydrophobicContact CG2-CZ 3.61Å; T487-F509 VanDerWaalsContact O-CE2 3.28Å; T487-F509 WeakPolarHBondContact O-CE2 3.44Å; T487-F509 VanDerWaalsContact O-CZ 3.29Å; T487-F509 WeakPolarHBondContact O-CZ 3.19Å |
| 488 | I | 76.1 | Confident | 71.8 | Confident | 97 Ų | 97 | 86 Ų | 86 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 177.9 | -67.9 | 162.9 | 0 | 0 | 0 | 110.7 | L484 S485 F490 R491 I492 | L484-I488 WeakPolarHBondContact O-CB 3.31Å; L484-I488 VanDerWaalsContact O-CG1 3.28Å; L484-I488 WeakPolarHBondContact O-CG1 3.11Å; L484-I488 PolarHBondContact O-N 3.27Å; S485-I488 PolarHBondContact O-N 3.19Å; I488-F490 PolarHBondContact O-N 2.87Å; I488-R491 VanDerWaalsContact O-CB 3.27Å; I488-R491 WeakPolarHBondContact O-CB 3.34Å; I488-R491 PolarHBondContact O-N 3.32Å; I488-R491 VanDerWaalsContact O-N 3.16Å; I488-I492 HydrophobicContact CG2-CD1 3.84Å; I488-I492 WeakPolarHBondContact O-CG1 3.41Å; I488-I492 PolarHBondContact O-N 2.82Å |
| 489 | S | 79.3 | Confident | 71.6 | Confident | 74 Ų | 74 | 81.9 Ų | 81.9 | 52% | 0.517 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 177.4 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | S485 I492 Y493 | S485-S489 VanDerWaalsContact O-CB 3.32Å; S485-S489 WeakPolarHBondContact O-CB 3.33Å; S485-S489 PolarHBondContact O-N 2.97Å; S485-S489 PolarHBondContact O-OG 2.64Å; S485-S489 VanDerWaalsContact O-OG 3.06Å; S489-I492 PolarHBondContact O-N 3.31Å; S489-Y493 VanDerWaalsContact O-CB 3.29Å; S489-Y493 WeakPolarHBondContact O-CB 3.33Å; S489-Y493 PolarHBondContact O-N 3.11Å |
| 490 | F | 72.5 | Confident | 71.1 | Confident | 75 Ų | 75 | 81 Ų | 81 | 33% | 0.329 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 174.1 | -174.9 | -86.4 | 0 | 0 | 0 | 111.9 | A486 T487 I488 K494 P508 F509 | A486-F490 VanDerWaalsContact O-CB 3.3Å; A486-F490 WeakPolarHBondContact O-CB 3.28Å; A486-F490 PolarHBondContact O-N 3.31Å; T487-F490 PolarHBondContact O-N 2.87Å; I488-F490 PolarHBondContact O-N 2.87Å; F490-K494 HydrophobicContact CE1-CG 4.11Å; F490-K494 HydrophobicContact CZ-CG 4.23Å; F490-K494 PolarHBondContact O-N 3.39Å; F490-P508 HydrophobicContact CE1-CB 4.46Å; F490-F509 HydrophobicContact CB-CZ 3.94Å; F490-F509 HydrophobicContact CD1-CD1 4.47Å; F490-F509 AromaticContact CD1-CE1 3.76Å; F490-F509 HydrophobicContact CD1-CE1 3.76Å; F490-F509 AromaticContact CD1-CE2 3.81Å; F490-F509 HydrophobicContact CD1-CE2 3.81Å; F490-F509 AromaticContact CD1-CZ 3.39Å; F490-F509 HydrophobicContact CD1-CZ 3.39Å; F490-F509 HydrophobicContact CE1-CE1 4.21Å; F490-F509 HydrophobicContact CE1-CZ 4.24Å; F490-F509 HydrophobicContact CG-CZ 4.04Å |
| 491 | R | 73.6 | Confident | 70.8 | Confident | 140 Ų | 140 | 84.5 Ų | 84.5 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 172.3 | -154.5 | -175.2 | -172.1 | -144.6 | 3.4 | 110.8 | T487 I488 S495 H507 P508 F509 | T487-R491 PolarHBondContact O-N 2.86Å; I488-R491 VanDerWaalsContact O-CB 3.27Å; I488-R491 WeakPolarHBondContact O-CB 3.34Å; I488-R491 PolarHBondContact O-N 3.32Å; I488-R491 VanDerWaalsContact O-N 3.16Å; R491-S495 WeakPolarHBondContact O-CB 3.42Å; R491-S495 PolarHBondContact O-N 3.36Å; R491-H507 PolarHBondContact NE-NE2 3.36Å; R491-H507 PolarHBondContact NH2-NE2 3.34Å; R491-P508 HydrophobicContact CG-CG 4.15Å; R491-F509 HydrophobicContact CB-CD2 4.44Å; R491-F509 HydrophobicContact CB-CE2 3.84Å; R491-F509 HydrophobicContact CG-CD2 4.32Å; R491-F509 HydrophobicContact CG-CE2 4.22Å |
| 492 | I | 78.6 | Confident | 69.8 | Low | 101 Ų | 101 | 89.2 Ų | 89.2 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -50.7 | -179.3 | -65.2 | 164.1 | 0 | 0 | 0 | 110.3 | I488 S489 K494 S495 V496 | I488-I492 HydrophobicContact CG2-CD1 3.84Å; I488-I492 WeakPolarHBondContact O-CG1 3.41Å; I488-I492 PolarHBondContact O-N 2.82Å; S489-I492 PolarHBondContact O-N 3.31Å; I492-K494 VanDerWaalsContact C-N 3.34Å; I492-K494 PolarHBondContact O-N 3.29Å; I492-S495 PolarHBondContact O-N 3.48Å; I492-S495 VanDerWaalsContact O-N 3.08Å; I492-V496 HydrophobicContact CG2-CG2 4.39Å; I492-V496 WeakPolarHBondContact O-CG2 3.4Å; I492-V496 PolarHBondContact O-N 2.72Å |
| 493 | Y | 78.8 | Confident | 69.1 | Low | 141 Ų | 141 | 90.9 Ų | 90.9 | 55% | 0.553 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -52.2 | -50.3 | 178.9 | 170.3 | -105.9 | 0 | 0 | 0 | 112.2 | S489 V496 L497 | S489-Y493 VanDerWaalsContact O-CB 3.29Å; S489-Y493 WeakPolarHBondContact O-CB 3.33Å; S489-Y493 PolarHBondContact O-N 3.11Å; Y493-V496 PolarHBondContact O-N 2.87Å; Y493-L497 HydrophobicContact CD2-CD1 4.42Å; Y493-L497 HydrophobicContact CE1-CD2 4.15Å; Y493-L497 HydrophobicContact CE2-CD1 3.93Å; Y493-L497 PolarHBondContact O-N 2.71Å; Y493-L497 VanDerWaalsContact O-N 3.07Å |
| 494 | K | 66.3 | Low | 68.3 | Low | 87 Ų | 87 | 96 Ų | 96 | 38% | 0.378 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.8 | -32.1 | 177.1 | -80.7 | -119 | -174.4 | 178.7 | 0 | 113.6 | F490 I492 V496 L497 Q498 P508 | F490-K494 HydrophobicContact CE1-CG 4.11Å; F490-K494 HydrophobicContact CZ-CG 4.23Å; F490-K494 PolarHBondContact O-N 3.39Å; I492-K494 VanDerWaalsContact C-N 3.34Å; I492-K494 PolarHBondContact O-N 3.29Å; K494-V496 VanDerWaalsContact C-N 3.31Å; K494-L497 WeakPolarHBondContact O-CB 3.49Å; K494-L497 PolarHBondContact O-N 2.77Å; K494-Q498 WeakPolarHBondContact O-CG 3.38Å; K494-Q498 PolarHBondContact O-N 3.31Å; K494-P508 HydrophobicContact CB-CB 3.21Å; K494-P508 HydrophobicContact CB-CG 3.85Å; K494-P508 HydrophobicContact CD-CB 3.74Å; K494-P508 HydrophobicContact CG-CB 3.74Å |
| 495 | S | 62.3 | Low | 67.2 | Low | 63 Ų | 63 | 98.9 Ų | 98.9 | 44% | 0.441 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | R491 I492 A499 | R491-S495 WeakPolarHBondContact O-CB 3.42Å; R491-S495 PolarHBondContact O-N 3.36Å; I492-S495 PolarHBondContact O-N 3.48Å; I492-S495 VanDerWaalsContact O-N 3.08Å; S495-A499 WeakPolarHBondContact O-CB 3.34Å; S495-A499 PolarHBondContact O-N 3.4Å |
| 496 | V | 71.3 | Confident | 66.3 | Low | 80 Ų | 80 | 98.1 Ų | 98.1 | 49% | 0.485 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 170.2 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | I492 Y493 K494 Q498 A499 V500 | I492-V496 HydrophobicContact CG2-CG2 4.39Å; I492-V496 WeakPolarHBondContact O-CG2 3.4Å; I492-V496 PolarHBondContact O-N 2.72Å; Y493-V496 PolarHBondContact O-N 2.87Å; K494-V496 VanDerWaalsContact C-N 3.31Å; V496-Q498 PolarHBondContact O-N 3.31Å; V496-A499 PolarHBondContact O-N 2.83Å; V496-V500 HydrophobicContact CG1-CG2 4.31Å; V496-V500 WeakPolarHBondContact O-CB 3.22Å; V496-V500 VanDerWaalsContact O-CG2 3.29Å; V496-V500 WeakPolarHBondContact O-CG2 3.28Å; V496-V500 PolarHBondContact O-N 3.41Å |
| 497 | L | 68.2 | Low | 65.4 | Low | 56 Ų | 56 | 98.6 Ų | 98.6 | 29% | 0.293 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 173.9 | -105.3 | 63 | 0 | 0 | 0 | 112.6 | Y493 K494 V500 Q501 | Y493-L497 HydrophobicContact CD2-CD1 4.42Å; Y493-L497 HydrophobicContact CE1-CD2 4.15Å; Y493-L497 HydrophobicContact CE2-CD1 3.93Å; Y493-L497 PolarHBondContact O-N 2.71Å; Y493-L497 VanDerWaalsContact O-N 3.07Å; K494-L497 WeakPolarHBondContact O-CB 3.49Å; K494-L497 PolarHBondContact O-N 2.77Å; L497-V500 PolarHBondContact O-N 2.76Å; L497-Q501 WeakPolarHBondContact O-CB 3.4Å; L497-Q501 WeakPolarHBondContact O-CG 3.32Å; L497-Q501 PolarHBondContact O-N 2.91Å |
| 498 | Q | 64.3 | Low | 64.6 | Low | 52 Ų | 52 | 96.2 Ų | 96.2 | 24% | 0.243 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 174.6 | -75.4 | 165.1 | -33.5 | 0 | 0 | 111.2 | K494 V496 V500 Q501 K502 E505 | K494-Q498 WeakPolarHBondContact O-CG 3.38Å; K494-Q498 PolarHBondContact O-N 3.31Å; V496-Q498 PolarHBondContact O-N 3.31Å; Q498-V500 VanDerWaalsContact C-N 3.31Å; Q498-V500 PolarHBondContact O-N 3.06Å; Q498-Q501 PolarHBondContact O-N 3.34Å; Q498-K502 PolarHBondContact O-N 2.83Å; Q498-K502 VanDerWaalsContact O-N 3.11Å; Q498-E505 PolarHBondContact NE2-O 2.87Å |
| 499 | A | 63.3 | Low | 63.5 | Low | 76 Ų | 76 | 93.3 Ų | 93.3 | 63% | 0.628 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -34.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S495 V496 | S495-A499 WeakPolarHBondContact O-CB 3.34Å; S495-A499 PolarHBondContact O-N 3.4Å; V496-A499 PolarHBondContact O-N 2.83Å |
| 500 | V | 63.2 | Low | 62.4 | Low | 111 Ų | 111 | 94.6 Ų | 94.6 | 67% | 0.673 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -76 | -34.7 | 177.5 | 169 | 0 | 0 | 0 | 0 | 112.3 | V496 L497 Q498 | V496-V500 HydrophobicContact CG1-CG2 4.31Å; V496-V500 WeakPolarHBondContact O-CB 3.22Å; V496-V500 VanDerWaalsContact O-CG2 3.29Å; V496-V500 WeakPolarHBondContact O-CG2 3.28Å; V496-V500 PolarHBondContact O-N 3.41Å; L497-V500 PolarHBondContact O-N 2.76Å; Q498-V500 VanDerWaalsContact C-N 3.31Å; Q498-V500 PolarHBondContact O-N 3.06Å |
| 501 | Q | 60.6 | Low | 61.6 | Low | 125 Ų | 125 | 94.2 Ų | 94.2 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -92.2 | -15.4 | -172.5 | -68.6 | 179.2 | -12.7 | 0 | 0 | 114.5 | L497 Q498 T503 | L497-Q501 WeakPolarHBondContact O-CB 3.4Å; L497-Q501 WeakPolarHBondContact O-CG 3.32Å; L497-Q501 PolarHBondContact O-N 2.91Å; Q498-Q501 PolarHBondContact O-N 3.34Å; Q501-T503 PolarHBondContact O-N 3.48Å; Q501-T503 VanDerWaalsContact O-N 3.12Å |
| 502 | K | 54.7 | Low | 60.6 | Low | 197 Ų | 197 | 92.9 Ų | 92.9 | 86% | 0.857 | 49% | 0.491 | S | S | * | . | trans | 53.8 | 25.5 | -179.6 | -67 | -167.3 | 174.8 | -173.2 | 0 | 114.8 | Q498 | Q498-K502 PolarHBondContact O-N 2.83Å; Q498-K502 VanDerWaalsContact O-N 3.11Å | ||
| 503 | T | 51.9 | Low | 59.6 | Low | 84 Ų | 84 | 93.7 Ų | 93.7 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | trans | -100.8 | 134.7 | 177.2 | 39.8 | 0 | 0 | 0 | 0 | 111 | Q501 E505 | Q501-T503 PolarHBondContact O-N 3.48Å; Q501-T503 VanDerWaalsContact O-N 3.12Å; T503-E505 VanDerWaalsContact C-N 3.3Å; T503-E505 PolarHBondContact O-N 3.05Å | ||
| 504 | D | 50.2 | Low | 58.5 | Low | 167 Ų | 167 | 92.8 Ų | 92.8 | 89% | 0.893 | 50% | 0.497 | S | S | * | . | trans | -86.2 | 62 | -171.3 | -164.9 | 17.7 | 0 | 0 | 0 | 112.9 | ||||
| 505 | E | 52.3 | Low | 57.5 | Low | 161 Ų | 161 | 92.9 Ų | 92.9 | 75% | 0.752 | 50% | 0.5 | S | S | * | . | trans | -110.5 | 90.2 | 168.8 | -73.7 | -163.3 | 131.1 | 0 | 0 | 110 | Q498 T503 | Q498-E505 PolarHBondContact NE2-O 2.87Å; T503-E505 VanDerWaalsContact C-N 3.3Å; T503-E505 PolarHBondContact O-N 3.05Å | ||
| 506 | G | 57.3 | Low | 56.8 | Low | 47 Ų | 47 | 96.8 Ų | 96.8 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | trans | -66.8 | 148 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 507 | H | 56 | Low | 55.8 | Low | 70 Ų | 70 | 100.4 Ų | 100.4 | 32% | 0.324 | 53% | 0.526 | S | S | . | . | trans | 48.6 | 113 | 176 | -158.3 | -113.6 | 0 | 0 | 0 | 117 | R491 F509 K510 | R491-H507 PolarHBondContact NE-NE2 3.36Å; R491-H507 PolarHBondContact NH2-NE2 3.34Å; H507-F509 PolarHBondContact O-N 2.79Å; H507-K510 HydrophobicContact CB-CG 4.41Å; H507-K510 WeakPolarHBondContact O-CB 3.42Å; H507-K510 PolarHBondContact O-N 3.01Å | ||
| 508 | P | 56.6 | Low | 54.8 | Low | 16 Ų | 16 | 101 Ų | 101 | 10% | 0.104 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.1 | -169.9 | 30.8 | -38.7 | 0 | 0 | 0 | 116.1 | F490 R491 K494 | F490-P508 HydrophobicContact CE1-CB 4.46Å; R491-P508 HydrophobicContact CG-CG 4.15Å; K494-P508 HydrophobicContact CB-CB 3.21Å; K494-P508 HydrophobicContact CB-CG 3.85Å; K494-P508 HydrophobicContact CD-CB 3.74Å; K494-P508 HydrophobicContact CG-CB 3.74Å |
| 509 | F | 53.3 | Low | 54.1 | Low | 36 Ų | 36 | 104.7 Ų | 104.7 | 16% | 0.158 | 56% | 0.558 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -102.3 | 7.4 | 171.6 | -70.2 | -79.9 | 0 | 0 | 0 | 113.5 | T487 F490 R491 H507 A511 Y512 L513 | T487-F509 HydrophobicContact CG2-CE1 4.15Å; T487-F509 HydrophobicContact CG2-CE2 3.97Å; T487-F509 HydrophobicContact CG2-CZ 3.61Å; T487-F509 VanDerWaalsContact O-CE2 3.28Å; T487-F509 WeakPolarHBondContact O-CE2 3.44Å; T487-F509 VanDerWaalsContact O-CZ 3.29Å; T487-F509 WeakPolarHBondContact O-CZ 3.19Å; F490-F509 HydrophobicContact CB-CZ 3.94Å; F490-F509 HydrophobicContact CD1-CD1 4.47Å; F490-F509 AromaticContact CD1-CE1 3.76Å; F490-F509 HydrophobicContact CD1-CE1 3.76Å; F490-F509 AromaticContact CD1-CE2 3.81Å; F490-F509 HydrophobicContact CD1-CE2 3.81Å; F490-F509 AromaticContact CD1-CZ 3.39Å; F490-F509 HydrophobicContact CD1-CZ 3.39Å; F490-F509 HydrophobicContact CE1-CE1 4.21Å; F490-F509 HydrophobicContact CE1-CZ 4.24Å; F490-F509 HydrophobicContact CG-CZ 4.04Å; R491-F509 HydrophobicContact CB-CD2 4.44Å; R491-F509 HydrophobicContact CB-CE2 3.84Å; R491-F509 HydrophobicContact CG-CD2 4.32Å; R491-F509 HydrophobicContact CG-CE2 4.22Å; H507-F509 PolarHBondContact O-N 2.79Å; F509-A511 PolarHBondContact O-N 2.73Å; F509-Y512 CarbonylContact O-C 3.57Å; F509-Y512 WeakPolarHBondContact O-CA 3.12Å; F509-Y512 PolarHBondContact O-N 2.76Å; F509-L513 HydrophobicContact CB-CD1 3.81Å; F509-L513 HydrophobicContact CB-CG 4.12Å; F509-L513 WeakPolarHBondContact O-CB 3.27Å; F509-L513 WeakPolarHBondContact O-CG 3.37Å; F509-L513 PolarHBondContact O-N 3.45Å |
| 510 | K | 54.4 | Low | 53.6 | Low | 102 Ų | 102 | 103.3 Ų | 103.3 | 44% | 0.443 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -53 | -57.1 | 178.3 | -121.2 | -177.8 | 160.2 | -90.6 | 0 | 110.6 | H507 Y512 L513 E514 | H507-K510 HydrophobicContact CB-CG 4.41Å; H507-K510 WeakPolarHBondContact O-CB 3.42Å; H507-K510 PolarHBondContact O-N 3.01Å; K510-Y512 PolarHBondContact O-N 3.03Å; K510-L513 PolarHBondContact O-N 2.61Å; K510-E514 WeakPolarHBondContact CB-OE2 3.16Å; K510-E514 HydrophobicContact CG-CG 4.39Å; K510-E514 VanDerWaalsContact CG-OE2 3.26Å; K510-E514 WeakPolarHBondContact CG-OE2 3.09Å; K510-E514 IonicContact NZ-OE1 2.61Å; K510-E514 PolarHBondContact NZ-OE1 3.27Å; K510-E514 IonicContact NZ-OE2 3.42Å; K510-E514 PolarHBondContact NZ-OE2 2.91Å; K510-E514 WeakPolarHBondContact O-CA 3.36Å; K510-E514 WeakPolarHBondContact O-CB 3.48Å; K510-E514 VanDerWaalsContact O-CG 3.32Å; K510-E514 WeakPolarHBondContact O-CG 3.19Å; K510-E514 PolarHBondContact O-N 3.18Å |
| 511 | A | 55.6 | Low | 53.4 | Low | 66 Ų | 66 | 106.1 Ų | 106.1 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | 10.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | K426 F509 | K426-A511 PolarHBondContact NZ-O 2.61Å; K426-A511 VanDerWaalsContact NZ-O 3.12Å; F509-A511 PolarHBondContact O-N 2.73Å |
| 512 | Y | 54.2 | Low | 53.7 | Low | 113 Ų | 113 | 105.3 Ų | 105.3 | 44% | 0.443 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -125.7 | -12 | 172.6 | -83.8 | -78.7 | 0 | 0 | 0 | 113.7 | F509 K510 | F509-Y512 CarbonylContact O-C 3.57Å; F509-Y512 WeakPolarHBondContact O-CA 3.12Å; F509-Y512 PolarHBondContact O-N 2.76Å; K510-Y512 PolarHBondContact O-N 3.03Å |
| 513 | L | 56.9 | Low | 54.3 | Low | 118 Ų | 118 | 99.3 Ų | 99.3 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -101.9 | -37.9 | 170 | -68.9 | 162.6 | 0 | 0 | 0 | 110 | F509 K510 M515 | F509-L513 HydrophobicContact CB-CD1 3.81Å; F509-L513 HydrophobicContact CB-CG 4.12Å; F509-L513 WeakPolarHBondContact O-CB 3.27Å; F509-L513 WeakPolarHBondContact O-CG 3.37Å; F509-L513 PolarHBondContact O-N 3.45Å; K510-L513 PolarHBondContact O-N 2.61Å; L513-M515 VanDerWaalsContact C-N 3.28Å |
| 514 | E | 54.6 | Low | 55.5 | Low | 121 Ų | 121 | 99 Ų | 99 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -9.8 | 164 | -54.6 | 173.4 | 138.5 | 0 | 0 | 111.8 | K510 E516 | K510-E514 WeakPolarHBondContact CB-OE2 3.16Å; K510-E514 HydrophobicContact CG-CG 4.39Å; K510-E514 VanDerWaalsContact CG-OE2 3.26Å; K510-E514 WeakPolarHBondContact CG-OE2 3.09Å; K510-E514 IonicContact NZ-OE1 2.61Å; K510-E514 PolarHBondContact NZ-OE1 3.27Å; K510-E514 IonicContact NZ-OE2 3.42Å; K510-E514 PolarHBondContact NZ-OE2 2.91Å; K510-E514 WeakPolarHBondContact O-CA 3.36Å; K510-E514 WeakPolarHBondContact O-CB 3.48Å; K510-E514 VanDerWaalsContact O-CG 3.32Å; K510-E514 WeakPolarHBondContact O-CG 3.19Å; K510-E514 PolarHBondContact O-N 3.18Å; E514-E516 PolarHBondContact O-N 2.75Å; E514-E516 VanDerWaalsContact O-N 3.14Å |
| 515 | M | 46.4 | Very low | 56.8 | Low | 90 Ų | 90 | 93.3 Ų | 93.3 | 44% | 0.443 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -78.4 | 83.2 | 145.9 | -171.3 | 168.3 | 86.1 | 0 | 0 | 107.1 | K426 L513 | K426-M515 HydrophobicContact CD-CE 4.16Å; K426-M515 HydrophobicContact CD-SD 3.52Å; K426-M515 VanDerWaalsContact CD-SD 3.52Å; K426-M515 WeakPolarHBondContact CE-SD 3.38Å; K426-M515 HydrophobicContact CG-CE 4.43Å; K426-M515 HydrophobicContact CG-SD 4.36Å; K426-M515 PolarHBondContact NZ-SD 2.98Å; L513-M515 VanDerWaalsContact C-N 3.28Å |
| 516 | E | 47.4 | Very low | 58.3 | Low | 145 Ų | 145 | 90.8 Ų | 90.8 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | trans | -51.1 | 159.3 | 164.3 | -65.4 | -172.9 | 121.2 | 0 | 0 | 110.1 | E514 A518 | E514-E516 PolarHBondContact O-N 2.75Å; E514-E516 VanDerWaalsContact O-N 3.14Å; E516-A518 HydrophobicContact CB-CB 4.01Å; E516-A518 PolarHBondContact O-N 2.96Å | ||
| 517 | I | 49.5 | Very low | 59.4 | Low | 156 Ų | 156 | 94.6 Ų | 94.6 | 80% | 0.8 | 48% | 0.479 | S | S | * | . | trans | -77.2 | 45.5 | 170.5 | -60 | 162.8 | 0 | 0 | 0 | 108.7 | M519 I524 | I517-M519 PolarHBondContact O-N 3.09Å; I517-I524 VanDerWaalsContact O-CD1 3.3Å; I517-I524 WeakPolarHBondContact O-CD1 3.46Å | ||
| 518 | A | 49.1 | Very low | 60.9 | Low | 68 Ų | 68 | 93.6 Ų | 93.6 | 56% | 0.562 | 48% | 0.482 | S | S | * | . | trans | -79.3 | 45.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | E516 S520 | E516-A518 HydrophobicContact CB-CB 4.01Å; E516-A518 PolarHBondContact O-N 2.96Å; A518-S520 PolarHBondContact O-N 2.81Å; A518-S520 VanDerWaalsContact O-N 3.14Å | ||
| 519 | M | 48 | Very low | 62.4 | Low | 130 Ų | 130 | 97.5 Ų | 97.5 | 64% | 0.64 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -54.4 | 116.1 | 141.5 | -179.6 | 176.1 | -63.8 | 0 | 0 | 104.6 | I517 Q523 I524 | I517-M519 PolarHBondContact O-N 3.09Å; M519-Q523 HydrophobicContact CG-CB 4.49Å; M519-I524 HydrophobicContact CB-CD1 4.27Å; M519-I524 HydrophobicContact CB-CG1 4.38Å; M519-I524 WeakPolarHBondContact O-CD1 3.23Å; M519-I524 VanDerWaalsContact O-CG1 3.32Å; M519-I524 WeakPolarHBondContact O-CG1 3.37Å |
| 520 | S | 52.6 | Low | 64.1 | Low | 47 Ų | 47 | 100 Ų | 100 | 33% | 0.329 | 51% | 0.513 | S | S | . | . | trans | -48.6 | 143.8 | -146.9 | 95 | 0 | 0 | 0 | 0 | 113 | A518 D522 Q523 I524 | A518-S520 PolarHBondContact O-N 2.81Å; A518-S520 VanDerWaalsContact O-N 3.14Å; S520-D522 PolarHBondContact O-N 2.8Å; S520-D522 PolarHBondContact OG-OD2 3.33Å; S520-Q523 CarbonylContact O-C 3.41Å; S520-Q523 WeakPolarHBondContact O-CA 3.3Å; S520-Q523 PolarHBondContact O-N 3.16Å; S520-Q523 PolarHBondContact OG-N 2.94Å; S520-I524 PolarHBondContact O-N 2.84Å | ||
| 521 | Q | 59.4 | Low | 65.7 | Low | 169 Ų | 169 | 100.7 Ų | 100.7 | 79% | 0.79 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -55.1 | -29 | -177 | -170.7 | 171 | -13.7 | 0 | 0 | 111.4 | S525 | Q521-S525 WeakPolarHBondContact O-CB 3.2Å; Q521-S525 PolarHBondContact O-N 3.18Å; Q521-S525 PolarHBondContact O-OG 3.35Å |
| 522 | D | 67.4 | Low | 67.2 | Low | 109 Ų | 109 | 102.6 Ų | 102.6 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71.4 | -29.9 | 171.2 | -36 | -86.2 | 0 | 0 | 0 | 114.9 | S520 S525 K526 | S520-D522 PolarHBondContact O-N 2.8Å; S520-D522 PolarHBondContact OG-OD2 3.33Å; D522-S525 WeakPolarHBondContact CA-OG 3.36Å; D522-S525 PolarHBondContact O-OG 3.27Å; D522-K526 WeakPolarHBondContact O-CB 3.26Å; D522-K526 PolarHBondContact O-N 2.9Å |
| 523 | Q | 67.9 | Low | 68.9 | Low | 70 Ų | 70 | 102.5 Ų | 102.5 | 33% | 0.327 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -76.7 | -44.9 | 169.5 | -62.6 | -34.8 | -67.5 | 0 | 0 | 110.9 | M519 S520 K526 Y527 | M519-Q523 HydrophobicContact CG-CB 4.49Å; S520-Q523 CarbonylContact O-C 3.41Å; S520-Q523 WeakPolarHBondContact O-CA 3.3Å; S520-Q523 PolarHBondContact O-N 3.16Å; S520-Q523 PolarHBondContact OG-N 2.94Å; Q523-K526 PolarHBondContact O-N 2.84Å; Q523-Y527 HydrophobicContact CB-CD2 4.35Å; Q523-Y527 HydrophobicContact CB-CE2 4.33Å; Q523-Y527 WeakPolarHBondContact O-CB 3.39Å; Q523-Y527 WeakPolarHBondContact O-CD2 3.47Å; Q523-Y527 PolarHBondContact O-N 3.28Å |
| 524 | I | 76 | Confident | 70.6 | Confident | 79 Ų | 79 | 104.8 Ų | 104.8 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 177.4 | -70.3 | 176.9 | 0 | 0 | 0 | 110.2 | I517 M519 S520 Y527 A528 | I517-I524 VanDerWaalsContact O-CD1 3.3Å; I517-I524 WeakPolarHBondContact O-CD1 3.46Å; M519-I524 HydrophobicContact CB-CD1 4.27Å; M519-I524 HydrophobicContact CB-CG1 4.38Å; M519-I524 WeakPolarHBondContact O-CD1 3.23Å; M519-I524 VanDerWaalsContact O-CG1 3.32Å; M519-I524 WeakPolarHBondContact O-CG1 3.37Å; S520-I524 PolarHBondContact O-N 2.84Å; I524-Y527 PolarHBondContact O-N 3.35Å; I524-A528 WeakPolarHBondContact O-CB 3.04Å; I524-A528 PolarHBondContact O-N 2.92Å |
| 525 | S | 77.8 | Confident | 72.2 | Confident | 47 Ų | 47 | 102.1 Ų | 102.1 | 33% | 0.329 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -49.7 | 172.6 | 67.8 | 0 | 0 | 0 | 0 | 111 | Q521 D522 Y527 A528 D529 | Q521-S525 WeakPolarHBondContact O-CB 3.2Å; Q521-S525 PolarHBondContact O-N 3.18Å; Q521-S525 PolarHBondContact O-OG 3.35Å; D522-S525 WeakPolarHBondContact CA-OG 3.36Å; D522-S525 PolarHBondContact O-OG 3.27Å; S525-Y527 VanDerWaalsContact C-N 3.25Å; S525-Y527 PolarHBondContact O-N 2.84Å; S525-Y527 VanDerWaalsContact O-N 3.16Å; S525-A528 CarbonylContact O-C 3.59Å; S525-A528 WeakPolarHBondContact O-CA 3.4Å; S525-A528 PolarHBondContact O-N 3.49Å; S525-D529 VanDerWaalsContact O-CB 3.26Å; S525-D529 WeakPolarHBondContact O-CB 3.43Å; S525-D529 PolarHBondContact O-N 2.82Å |
| 526 | K | 84.5 | Confident | 74.2 | Confident | 107 Ų | 107 | 101.6 Ų | 101.6 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -26.9 | 178.3 | -177.5 | 177.2 | -173.3 | 177.3 | 0 | 114.4 | D522 Q523 K530 | D522-K526 WeakPolarHBondContact O-CB 3.26Å; D522-K526 PolarHBondContact O-N 2.9Å; Q523-K526 PolarHBondContact O-N 2.84Å; K526-K530 WeakPolarHBondContact O-CB 3.38Å; K526-K530 VanDerWaalsContact O-CD 3.27Å; K526-K530 WeakPolarHBondContact O-CD 3.38Å; K526-K530 WeakPolarHBondContact O-CG 3.48Å; K526-K530 PolarHBondContact O-N 2.81Å |
| 527 | Y | 80.4 | Confident | 76.1 | Confident | 128 Ų | 128 | 97.5 Ų | 97.5 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -81.7 | -41.8 | 170.1 | -75.6 | -60.9 | 0 | 0 | 0 | 111.7 | Q523 I524 S525 K530 I531 | Q523-Y527 HydrophobicContact CB-CD2 4.35Å; Q523-Y527 HydrophobicContact CB-CE2 4.33Å; Q523-Y527 WeakPolarHBondContact O-CB 3.39Å; Q523-Y527 WeakPolarHBondContact O-CD2 3.47Å; Q523-Y527 PolarHBondContact O-N 3.28Å; I524-Y527 PolarHBondContact O-N 3.35Å; S525-Y527 VanDerWaalsContact C-N 3.25Å; S525-Y527 PolarHBondContact O-N 2.84Å; S525-Y527 VanDerWaalsContact O-N 3.16Å; Y527-K530 PolarHBondContact O-N 2.82Å; Y527-I531 WeakPolarHBondContact O-CB 3.17Å; Y527-I531 WeakPolarHBondContact O-CD1 3.44Å; Y527-I531 WeakPolarHBondContact O-CG1 3.43Å; Y527-I531 PolarHBondContact O-N 2.76Å |
| 528 | A | 86.9 | Confident | 77.7 | Confident | 48 Ų | 48 | 93.2 Ų | 93.2 | 40% | 0.397 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.8 | -53.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I524 S525 K530 I531 L532 | I524-A528 WeakPolarHBondContact O-CB 3.04Å; I524-A528 PolarHBondContact O-N 2.92Å; S525-A528 CarbonylContact O-C 3.59Å; S525-A528 WeakPolarHBondContact O-CA 3.4Å; S525-A528 PolarHBondContact O-N 3.49Å; A528-K530 VanDerWaalsContact C-N 3.31Å; A528-K530 PolarHBondContact O-N 3.3Å; A528-I531 CarbonylContact O-C 3.49Å; A528-I531 PolarHBondContact O-N 3.09Å; A528-I531 VanDerWaalsContact O-N 3.08Å; A528-L532 WeakPolarHBondContact O-CB 3.44Å; A528-L532 PolarHBondContact O-N 3.22Å |
| 529 | D | 88.4 | Confident | 79.4 | Confident | 98 Ų | 98 | 95.1 Ų | 95.1 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.7 | -39.3 | 175.1 | -67.7 | -28.5 | 0 | 0 | 0 | 112.4 | S525 L533 | S525-D529 VanDerWaalsContact O-CB 3.26Å; S525-D529 WeakPolarHBondContact O-CB 3.43Å; S525-D529 PolarHBondContact O-N 2.82Å; D529-L533 WeakPolarHBondContact O-CB 3.17Å; D529-L533 PolarHBondContact O-N 3.47Å |
| 530 | K | 88.4 | Confident | 81.1 | Confident | 89 Ų | 89 | 95.2 Ų | 95.2 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 171.8 | -82.3 | 172.7 | -176 | -180 | 0 | 111.4 | K526 Y527 A528 L532 L533 Y534 | K526-K530 WeakPolarHBondContact O-CB 3.38Å; K526-K530 VanDerWaalsContact O-CD 3.27Å; K526-K530 WeakPolarHBondContact O-CD 3.38Å; K526-K530 WeakPolarHBondContact O-CG 3.48Å; K526-K530 PolarHBondContact O-N 2.81Å; Y527-K530 PolarHBondContact O-N 2.82Å; A528-K530 VanDerWaalsContact C-N 3.31Å; A528-K530 PolarHBondContact O-N 3.3Å; K530-L532 VanDerWaalsContact C-N 3.27Å; K530-L532 PolarHBondContact O-N 2.89Å; K530-L533 PolarHBondContact O-N 3.32Å; K530-Y534 HydrophobicContact CB-CD2 4.38Å; K530-Y534 HydrophobicContact CB-CE2 4.22Å; K530-Y534 WeakPolarHBondContact O-CB 3.37Å; K530-Y534 WeakPolarHBondContact O-CD2 3.05Å; K530-Y534 PolarHBondContact O-N 3.25Å |
| 531 | I | 87.1 | Confident | 82.5 | Confident | 117 Ų | 117 | 96.6 Ų | 96.6 | 60% | 0.6 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.8 | -38.1 | 178.5 | -69.5 | 163.9 | 0 | 0 | 0 | 110.3 | Y527 A528 S535 | Y527-I531 WeakPolarHBondContact O-CB 3.17Å; Y527-I531 WeakPolarHBondContact O-CD1 3.44Å; Y527-I531 WeakPolarHBondContact O-CG1 3.43Å; Y527-I531 PolarHBondContact O-N 2.76Å; A528-I531 CarbonylContact O-C 3.49Å; A528-I531 PolarHBondContact O-N 3.09Å; A528-I531 VanDerWaalsContact O-N 3.08Å; I531-S535 WeakPolarHBondContact O-CA 3.21Å; I531-S535 WeakPolarHBondContact O-CB 3.39Å; I531-S535 PolarHBondContact O-N 2.91Å |
| 532 | L | 87.8 | Confident | 83.5 | Confident | 106 Ų | 106 | 91.9 Ų | 91.9 | 56% | 0.555 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.3 | -38.2 | 177.4 | -154.5 | 89.5 | 0 | 0 | 0 | 110.9 | A528 K530 N536 | A528-L532 WeakPolarHBondContact O-CB 3.44Å; A528-L532 PolarHBondContact O-N 3.22Å; K530-L532 VanDerWaalsContact C-N 3.27Å; K530-L532 PolarHBondContact O-N 2.89Å; L532-N536 WeakPolarHBondContact O-CB 3.41Å; L532-N536 PolarHBondContact O-N 2.98Å; L532-N536 PolarHBondContact O-ND2 3.48Å |
| 533 | L | 90.4 | Very high | 84.2 | Confident | 111 Ų | 111 | 93.9 Ų | 93.9 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.2 | -48.4 | 174.1 | 178 | 63 | 0 | 0 | 0 | 111.1 | D529 K530 N536 T537 | D529-L533 WeakPolarHBondContact O-CB 3.17Å; D529-L533 PolarHBondContact O-N 3.47Å; K530-L533 PolarHBondContact O-N 3.32Å; L533-N536 PolarHBondContact O-N 3.15Å; L533-T537 VanDerWaalsContact O-CB 3.24Å; L533-T537 WeakPolarHBondContact O-CB 3.24Å; L533-T537 PolarHBondContact O-N 3.42Å; L533-T537 PolarHBondContact O-OG1 2.91Å |
| 534 | Y | 91.6 | Very high | 84.8 | Confident | 166 Ų | 166 | 94.5 Ų | 94.5 | 65% | 0.651 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 174.6 | -69.9 | -54.4 | 0 | 0 | 0 | 111.4 | K530 T537 C538 | K530-Y534 HydrophobicContact CB-CD2 4.38Å; K530-Y534 HydrophobicContact CB-CE2 4.22Å; K530-Y534 WeakPolarHBondContact O-CB 3.37Å; K530-Y534 WeakPolarHBondContact O-CD2 3.05Å; K530-Y534 PolarHBondContact O-N 3.25Å; Y534-T537 PolarHBondContact O-N 2.79Å; Y534-C538 WeakPolarHBondContact O-CB 3.41Å; Y534-C538 PolarHBondContact O-N 3.41Å |
| 535 | S | 88.3 | Confident | 85.1 | Confident | 64 Ų | 64 | 92.3 Ų | 92.3 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66 | -46 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 112 | I531 T537 C538 M539 | I531-S535 WeakPolarHBondContact O-CA 3.21Å; I531-S535 WeakPolarHBondContact O-CB 3.39Å; I531-S535 PolarHBondContact O-N 2.91Å; S535-T537 VanDerWaalsContact C-N 3.3Å; S535-T537 PolarHBondContact O-N 2.91Å; S535-C538 WeakPolarHBondContact O-CB 3.43Å; S535-C538 PolarHBondContact O-N 3.2Å; S535-M539 VanDerWaalsContact O-CB 3.28Å; S535-M539 WeakPolarHBondContact O-CB 3.35Å; S535-M539 WeakPolarHBondContact O-CG 3.44Å; S535-M539 PolarHBondContact O-N 3.44Å |
| 536 | N | 88.6 | Confident | 84.8 | Confident | 79 Ų | 79 | 98 Ų | 98 | 42% | 0.422 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66 | -31.2 | 175 | -85.6 | -79.3 | 0 | 0 | 0 | 112.8 | L532 L533 K540 | L532-N536 WeakPolarHBondContact O-CB 3.41Å; L532-N536 PolarHBondContact O-N 2.98Å; L532-N536 PolarHBondContact O-ND2 3.48Å; L533-N536 PolarHBondContact O-N 3.15Å; N536-K540 WeakPolarHBondContact O-CB 3.45Å; N536-K540 WeakPolarHBondContact O-CD 3.42Å; N536-K540 WeakPolarHBondContact O-CG 3.29Å; N536-K540 PolarHBondContact O-N 3.23Å |
| 537 | T | 87.3 | Confident | 84.2 | Confident | 59 Ų | 59 | 99 Ų | 99 | 36% | 0.362 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.6 | -47 | 175.2 | -55.1 | 0 | 0 | 0 | 0 | 109.9 | L533 Y534 S535 M539 K540 E541 | L533-T537 VanDerWaalsContact O-CB 3.24Å; L533-T537 WeakPolarHBondContact O-CB 3.24Å; L533-T537 PolarHBondContact O-N 3.42Å; L533-T537 PolarHBondContact O-OG1 2.91Å; Y534-T537 PolarHBondContact O-N 2.79Å; S535-T537 VanDerWaalsContact C-N 3.3Å; S535-T537 PolarHBondContact O-N 2.91Å; T537-M539 VanDerWaalsContact C-N 3.34Å; T537-M539 PolarHBondContact O-N 3.38Å; T537-K540 WeakPolarHBondContact O-CB 3.36Å; T537-K540 PolarHBondContact O-N 2.76Å; T537-E541 WeakPolarHBondContact O-CG 3.49Å; T537-E541 PolarHBondContact O-N 3.03Å |
| 538 | C | 84.1 | Confident | 83.7 | Confident | 67 Ų | 67 | 96.2 Ų | 96.2 | 45% | 0.453 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -54 | -48.5 | 170.9 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | Y534 S535 K540 E541 L542 | Y534-C538 WeakPolarHBondContact O-CB 3.41Å; Y534-C538 PolarHBondContact O-N 3.41Å; S535-C538 WeakPolarHBondContact O-CB 3.43Å; S535-C538 PolarHBondContact O-N 3.2Å; C538-K540 VanDerWaalsContact C-N 3.29Å; C538-K540 PolarHBondContact O-N 3.01Å; C538-E541 PolarHBondContact O-N 2.96Å; C538-L542 WeakPolarHBondContact O-CB 3.47Å; C538-L542 WeakPolarHBondContact O-CD1 3.1Å; C538-L542 PolarHBondContact O-N 2.87Å |
| 539 | M | 84.8 | Confident | 83 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -24.5 | 176.1 | -73.6 | -79.2 | -78.9 | 0 | 0 | 114.2 | S535 T537 R543 | S535-M539 VanDerWaalsContact O-CB 3.28Å; S535-M539 WeakPolarHBondContact O-CB 3.35Å; S535-M539 WeakPolarHBondContact O-CG 3.44Å; S535-M539 PolarHBondContact O-N 3.44Å; T537-M539 VanDerWaalsContact C-N 3.34Å; T537-M539 PolarHBondContact O-N 3.38Å; M539-R543 WeakPolarHBondContact O-CB 3.43Å; M539-R543 PolarHBondContact O-N 2.98Å |
| 540 | K | 83.8 | Confident | 82.3 | Confident | 131 Ų | 131 | 99 Ų | 99 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -78.1 | -43.2 | 171.4 | -76.4 | 165.8 | -177 | 178.5 | 0 | 111.1 | N536 T537 C538 R543 R544 | N536-K540 WeakPolarHBondContact O-CB 3.45Å; N536-K540 WeakPolarHBondContact O-CD 3.42Å; N536-K540 WeakPolarHBondContact O-CG 3.29Å; N536-K540 PolarHBondContact O-N 3.23Å; T537-K540 WeakPolarHBondContact O-CB 3.36Å; T537-K540 PolarHBondContact O-N 2.76Å; C538-K540 VanDerWaalsContact C-N 3.29Å; C538-K540 PolarHBondContact O-N 3.01Å; K540-R543 WeakPolarHBondContact O-CB 3.44Å; K540-R543 PolarHBondContact O-N 2.77Å; K540-R544 WeakPolarHBondContact O-CB 3.38Å; K540-R544 PolarHBondContact O-N 3.31Å |
| 541 | E | 80.8 | Confident | 81.7 | Confident | 77 Ų | 77 | 101.2 Ų | 101.2 | 36% | 0.36 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.2 | -45.1 | 176.4 | -63.6 | -57.2 | 156 | 0 | 0 | 111.7 | T537 C538 R543 R544 L545 | T537-E541 WeakPolarHBondContact O-CG 3.49Å; T537-E541 PolarHBondContact O-N 3.03Å; C538-E541 PolarHBondContact O-N 2.96Å; E541-R543 VanDerWaalsContact C-N 3.25Å; E541-R543 PolarHBondContact O-N 3.41Å; E541-R544 WeakPolarHBondContact O-CB 3.43Å; E541-R544 PolarHBondContact O-N 3.18Å; E541-R544 VanDerWaalsContact O-N 3.09Å; E541-R544 IonicContact OE1-NH1 2.66Å; E541-R544 WeakPolarHBondContact OE2-CD 3.39Å; E541-R544 IonicContact OE2-CZ 2.72Å; E541-R544 IonicContact OE2-NE 3.88Å; E541-R544 IonicContact OE2-NH1 3.64Å; E541-R544 PolarHBondContact OE2-NH1 3.21Å; E541-L545 WeakPolarHBondContact O-CB 3.5Å; E541-L545 WeakPolarHBondContact O-CD1 3.45Å; E541-L545 WeakPolarHBondContact O-CG 3.29Å; E541-L545 PolarHBondContact O-N 2.8Å |
| 542 | L | 81.2 | Confident | 81.1 | Confident | 69 Ų | 69 | 100.3 Ų | 100.3 | 36% | 0.361 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.1 | -40 | 171 | -96.7 | 59.2 | 0 | 0 | 0 | 111.5 | C538 F546 F557 | C538-L542 WeakPolarHBondContact O-CB 3.47Å; C538-L542 WeakPolarHBondContact O-CD1 3.1Å; C538-L542 PolarHBondContact O-N 2.87Å; L542-F546 WeakPolarHBondContact O-CB 3.04Å; L542-F546 PolarHBondContact O-N 3.37Å; L542-F557 HydrophobicContact CD1-CE2 4.36Å; L542-F557 HydrophobicContact CG-CZ 4.19Å |
| 543 | R | 81.2 | Confident | 80.5 | Confident | 152 Ų | 152 | 98 Ų | 98 | 57% | 0.574 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 174.8 | -175.3 | -170.9 | -48 | -175 | 2.5 | 112.1 | M539 K540 E541 F546 L547 | M539-R543 WeakPolarHBondContact O-CB 3.43Å; M539-R543 PolarHBondContact O-N 2.98Å; K540-R543 WeakPolarHBondContact O-CB 3.44Å; K540-R543 PolarHBondContact O-N 2.77Å; E541-R543 VanDerWaalsContact C-N 3.25Å; E541-R543 PolarHBondContact O-N 3.41Å; R543-F546 PolarHBondContact O-N 3.39Å; R543-L547 HydrophobicContact CG-CD1 3.98Å; R543-L547 WeakPolarHBondContact O-CB 3.49Å; R543-L547 WeakPolarHBondContact O-CD1 3.31Å; R543-L547 PolarHBondContact O-N 2.86Å |
| 544 | R | 82.1 | Confident | 79.8 | Confident | 83 Ų | 83 | 93.1 Ų | 93.1 | 31% | 0.313 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 176 | 173.9 | -177.2 | 159.9 | -141.3 | -3.5 | 112 | K540 E541 V548 Q549 D550 | K540-R544 WeakPolarHBondContact O-CB 3.38Å; K540-R544 PolarHBondContact O-N 3.31Å; E541-R544 WeakPolarHBondContact O-CB 3.43Å; E541-R544 PolarHBondContact O-N 3.18Å; E541-R544 VanDerWaalsContact O-N 3.09Å; E541-R544 IonicContact OE1-NH1 2.66Å; E541-R544 WeakPolarHBondContact OE2-CD 3.39Å; E541-R544 IonicContact OE2-CZ 2.72Å; E541-R544 IonicContact OE2-NE 3.88Å; E541-R544 IonicContact OE2-NH1 3.64Å; E541-R544 PolarHBondContact OE2-NH1 3.21Å; R544-V548 PolarHBondContact O-N 3.03Å; R544-Q549 HydrophobicContact CG-CB 4.01Å; R544-Q549 PolarHBondContact O-N 2.78Å; R544-Q549 VanDerWaalsContact O-N 3.11Å; R544-D550 IonicContact CZ-OD2 2.77Å; R544-D550 IonicContact NE-OD2 3.94Å; R544-D550 PolarHBondContact NE-OD2 2.86Å; R544-D550 IonicContact NH2-OD2 3.68Å; R544-D550 PolarHBondContact NH2-OD2 3.19Å |
| 545 | L | 81.7 | Confident | 79.3 | Confident | 33 Ų | 33 | 90.7 Ų | 90.7 | 17% | 0.173 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -70.4 | -33.1 | 175.9 | -66.8 | 165.1 | 0 | 0 | 0 | 112.5 | E541 D553 S554 F557 | E541-L545 WeakPolarHBondContact O-CB 3.5Å; E541-L545 WeakPolarHBondContact O-CD1 3.45Å; E541-L545 WeakPolarHBondContact O-CG 3.29Å; E541-L545 PolarHBondContact O-N 2.8Å; L545-D553 HydrophobicContact CD2-CB 3.87Å; L545-D553 WeakPolarHBondContact CD2-O 3.28Å; L545-S554 VanDerWaalsContact O-CB 3.22Å; L545-S554 WeakPolarHBondContact O-CB 3.19Å; L545-S554 PolarHBondContact O-OG 3.35Å; L545-S554 VanDerWaalsContact O-OG 3.14Å; L545-F557 HydrophobicContact CB-CB 4.39Å; L545-F557 HydrophobicContact CB-CD1 4.12Å; L545-F557 HydrophobicContact CB-CG 4.2Å; L545-F557 HydrophobicContact CD1-CB 4.25Å; L545-F557 HydrophobicContact CD1-CD2 3.88Å; L545-F557 HydrophobicContact CD1-CE2 4.38Å; L545-F557 HydrophobicContact CD1-CG 4.02Å; L545-F557 HydrophobicContact CD2-CB 4.09Å; L545-F557 HydrophobicContact CG-CB 4.48Å |
| 546 | F | 70.6 | Confident | 78.9 | Confident | 167 Ų | 167 | 93.5 Ų | 93.5 | 73% | 0.732 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -83.9 | -33.5 | 178.9 | -168 | -91.5 | 0 | 0 | 0 | 113.3 | L542 R543 V548 | L542-F546 WeakPolarHBondContact O-CB 3.04Å; L542-F546 PolarHBondContact O-N 3.37Å; R543-F546 PolarHBondContact O-N 3.39Å; F546-V548 PolarHBondContact O-N 2.66Å |
| 547 | L | 73.5 | Confident | 78.3 | Confident | 126 Ų | 126 | 92 Ų | 92 | 66% | 0.66 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 2.6 | 170.1 | -91.8 | 70.5 | 0 | 0 | 0 | 113 | R543 Q549 | R543-L547 HydrophobicContact CG-CD1 3.98Å; R543-L547 WeakPolarHBondContact O-CB 3.49Å; R543-L547 WeakPolarHBondContact O-CD1 3.31Å; R543-L547 PolarHBondContact O-N 2.86Å; L547-Q549 PolarHBondContact O-N 3.05Å |
| 548 | V | 69.8 | Low | 77.9 | Confident | 71 Ų | 71 | 91.8 Ų | 91.8 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 34.2 | 177.4 | -160.4 | 0 | 0 | 0 | 0 | 112.4 | R544 F546 D550 L551 S554 | R544-V548 PolarHBondContact O-N 3.03Å; F546-V548 PolarHBondContact O-N 2.66Å; V548-D550 PolarHBondContact O-N 3.48Å; V548-L551 HydrophobicContact CG1-CD2 3.55Å; V548-L551 HydrophobicContact CG1-CG 4.06Å; V548-S554 WeakPolarHBondContact CA-OG 3.41Å |
| 549 | Q | 70.9 | Confident | 77.7 | Confident | 144 Ų | 144 | 92.1 Ų | 92.1 | 67% | 0.673 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -64.2 | -32.1 | -178.6 | -173.9 | 171 | 4.3 | 0 | 0 | 111.5 | R544 L547 | R544-Q549 HydrophobicContact CG-CB 4.01Å; R544-Q549 PolarHBondContact O-N 2.78Å; R544-Q549 VanDerWaalsContact O-N 3.11Å; L547-Q549 PolarHBondContact O-N 3.05Å |
| 550 | D | 74.1 | Confident | 77.5 | Confident | 60 Ų | 60 | 91.8 Ų | 91.8 | 32% | 0.321 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -119.1 | 94.4 | 168.4 | -69.4 | -71.9 | 0 | 0 | 0 | 109.2 | R544 V548 V552 D553 S554 | R544-D550 IonicContact CZ-OD2 2.77Å; R544-D550 IonicContact NE-OD2 3.94Å; R544-D550 PolarHBondContact NE-OD2 2.86Å; R544-D550 IonicContact NH2-OD2 3.68Å; R544-D550 PolarHBondContact NH2-OD2 3.19Å; V548-D550 PolarHBondContact O-N 3.48Å; D550-V552 PolarHBondContact O-N 3.1Å; D550-D553 HydrophobicContact CB-CB 4.16Å; D550-D553 PolarHBondContact O-N 3Å; D550-D553 VanDerWaalsContact O-N 3.1Å; D550-S554 VanDerWaalsContact O-CB 3.28Å; D550-S554 WeakPolarHBondContact O-CB 3.17Å; D550-S554 PolarHBondContact O-N 2.97Å; D550-S554 PolarHBondContact O-OG 3.09Å |
| 551 | L | 75.4 | Confident | 77.2 | Confident | 135 Ų | 135 | 89.1 Ų | 89.1 | 71% | 0.707 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -44.6 | -42.7 | -179.6 | -80.6 | 158 | 0 | 0 | 0 | 113.4 | V548 L555 | V548-L551 HydrophobicContact CG1-CD2 3.55Å; V548-L551 HydrophobicContact CG1-CG 4.06Å; L551-L555 VanDerWaalsContact O-CB 3.26Å; L551-L555 WeakPolarHBondContact O-CB 3.49Å; L551-L555 PolarHBondContact O-N 2.91Å |
| 552 | V | 75.7 | Confident | 77.3 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 59% | 0.594 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -70.3 | -44 | -176.8 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | D550 K556 | D550-V552 PolarHBondContact O-N 3.1Å; V552-K556 WeakPolarHBondContact O-CG 3.19Å; V552-K556 PolarHBondContact O-N 2.77Å; V552-K556 VanDerWaalsContact O-N 3.1Å |
| 553 | D | 74.3 | Confident | 77 | Confident | 57 Ų | 57 | 94.6 Ų | 94.6 | 31% | 0.305 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.5 | -31.5 | -179.2 | -68.9 | -26 | 0 | 0 | 0 | 111.8 | L545 D550 K556 F557 | L545-D553 HydrophobicContact CD2-CB 3.87Å; L545-D553 WeakPolarHBondContact CD2-O 3.28Å; D550-D553 HydrophobicContact CB-CB 4.16Å; D550-D553 PolarHBondContact O-N 3Å; D550-D553 VanDerWaalsContact O-N 3.1Å; D553-K556 WeakPolarHBondContact O-CB 3.45Å; D553-K556 PolarHBondContact O-N 2.82Å; D553-K556 WeakPolarHBondContact OD1-CE 3.45Å; D553-K556 IonicContact OD1-NZ 3.87Å; D553-K556 PolarHBondContact OD1-NZ 2.79Å; D553-F557 WeakPolarHBondContact O-CB 3.46Å; D553-F557 PolarHBondContact O-N 3.48Å |
| 554 | S | 76.4 | Confident | 76.6 | Confident | 9 Ų | 9 | 91.5 Ų | 91.5 | 6% | 0.063 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 172.2 | -48.9 | 0 | 0 | 0 | 0 | 111.2 | L545 V548 D550 F557 A558 | L545-S554 VanDerWaalsContact O-CB 3.22Å; L545-S554 WeakPolarHBondContact O-CB 3.19Å; L545-S554 PolarHBondContact O-OG 3.35Å; L545-S554 VanDerWaalsContact O-OG 3.14Å; V548-S554 WeakPolarHBondContact CA-OG 3.41Å; D550-S554 VanDerWaalsContact O-CB 3.28Å; D550-S554 WeakPolarHBondContact O-CB 3.17Å; D550-S554 PolarHBondContact O-N 2.97Å; D550-S554 PolarHBondContact O-OG 3.09Å; S554-F557 PolarHBondContact O-N 2.88Å; S554-A558 WeakPolarHBondContact O-CB 3.48Å; S554-A558 PolarHBondContact O-N 3.43Å |
| 555 | L | 80.7 | Confident | 76.3 | Confident | 115 Ų | 115 | 92.2 Ų | 92.2 | 60% | 0.602 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67 | -41.3 | 172.2 | -178.3 | 62 | 0 | 0 | 0 | 112.1 | L551 F557 A558 V559 | L551-L555 VanDerWaalsContact O-CB 3.26Å; L551-L555 WeakPolarHBondContact O-CB 3.49Å; L551-L555 PolarHBondContact O-N 2.91Å; L555-F557 VanDerWaalsContact C-N 3.3Å; L555-F557 PolarHBondContact O-N 3.07Å; L555-A558 PolarHBondContact O-N 2.68Å; L555-V559 HydrophobicContact CD1-CG2 4.48Å; L555-V559 WeakPolarHBondContact O-CG2 3Å; L555-V559 PolarHBondContact O-N 2.86Å |
| 556 | K | 79.5 | Confident | 76 | Confident | 123 Ų | 123 | 97.5 Ų | 97.5 | 54% | 0.535 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 171.8 | -68.9 | 168.2 | -163 | 161.2 | 0 | 111.2 | V552 D553 V559 L560 | V552-K556 WeakPolarHBondContact O-CG 3.19Å; V552-K556 PolarHBondContact O-N 2.77Å; V552-K556 VanDerWaalsContact O-N 3.1Å; D553-K556 WeakPolarHBondContact O-CB 3.45Å; D553-K556 PolarHBondContact O-N 2.82Å; D553-K556 WeakPolarHBondContact OD1-CE 3.45Å; D553-K556 IonicContact OD1-NZ 3.87Å; D553-K556 PolarHBondContact OD1-NZ 2.79Å; K556-V559 PolarHBondContact O-N 2.82Å; K556-L560 VanDerWaalsContact O-CB 3.27Å; K556-L560 WeakPolarHBondContact O-CB 3.45Å; K556-L560 PolarHBondContact O-N 3.27Å |
| 557 | F | 76.9 | Confident | 76.1 | Confident | 49 Ų | 49 | 92 Ų | 92 | 22% | 0.215 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66 | -40.3 | 177.8 | 179.7 | -102.7 | 0 | 0 | 0 | 112.1 | L542 L545 D553 S554 L555 L560 M561 | L542-F557 HydrophobicContact CD1-CE2 4.36Å; L542-F557 HydrophobicContact CG-CZ 4.19Å; L545-F557 HydrophobicContact CB-CB 4.39Å; L545-F557 HydrophobicContact CB-CD1 4.12Å; L545-F557 HydrophobicContact CB-CG 4.2Å; L545-F557 HydrophobicContact CD1-CB 4.25Å; L545-F557 HydrophobicContact CD1-CD2 3.88Å; L545-F557 HydrophobicContact CD1-CE2 4.38Å; L545-F557 HydrophobicContact CD1-CG 4.02Å; L545-F557 HydrophobicContact CD2-CB 4.09Å; L545-F557 HydrophobicContact CG-CB 4.48Å; D553-F557 WeakPolarHBondContact O-CB 3.46Å; D553-F557 PolarHBondContact O-N 3.48Å; S554-F557 PolarHBondContact O-N 2.88Å; L555-F557 VanDerWaalsContact C-N 3.3Å; L555-F557 PolarHBondContact O-N 3.07Å; F557-L560 PolarHBondContact O-N 2.77Å; F557-M561 HydrophobicContact CD1-CG 4.34Å; F557-M561 HydrophobicContact CD2-CG 4.42Å; F557-M561 HydrophobicContact CE1-CG 3.95Å; F557-M561 HydrophobicContact CE2-CE 3.6Å; F557-M561 HydrophobicContact CE2-CG 4.05Å; F557-M561 HydrophobicContact CZ-CE 3.67Å; F557-M561 HydrophobicContact CZ-CG 3.8Å; F557-M561 HydrophobicContact CZ-SD 4.43Å; F557-M561 WeakPolarHBondContact O-CB 3.38Å; F557-M561 WeakPolarHBondContact O-CG 3.41Å; F557-M561 PolarHBondContact O-N 3.47Å |
| 558 | A | 77.6 | Confident | 76 | Confident | 54 Ų | 54 | 87.9 Ų | 87.9 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S554 L555 M561 W562 | S554-A558 WeakPolarHBondContact O-CB 3.48Å; S554-A558 PolarHBondContact O-N 3.43Å; L555-A558 PolarHBondContact O-N 2.68Å; A558-M561 PolarHBondContact O-N 3.08Å; A558-W562 VanDerWaalsContact O-CB 3.28Å; A558-W562 WeakPolarHBondContact O-CB 3.35Å; A558-W562 PolarHBondContact O-N 3.14Å |
| 559 | V | 80.8 | Confident | 76.2 | Confident | 73 Ų | 73 | 88.5 Ų | 88.5 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 174.6 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | L555 K556 W562 L563 | L555-V559 HydrophobicContact CD1-CG2 4.48Å; L555-V559 WeakPolarHBondContact O-CG2 3Å; L555-V559 PolarHBondContact O-N 2.86Å; K556-V559 PolarHBondContact O-N 2.82Å; V559-W562 PolarHBondContact O-N 3.43Å; V559-L563 HydrophobicContact CG1-CD1 4.23Å; V559-L563 WeakPolarHBondContact O-CB 3.42Å; V559-L563 WeakPolarHBondContact O-CG 3.47Å; V559-L563 PolarHBondContact O-N 3.15Å |
| 560 | L | 79.9 | Confident | 75.9 | Confident | 102 Ų | 102 | 86.5 Ų | 86.5 | 53% | 0.534 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176 | -169.8 | 159.4 | 0 | 0 | 0 | 111 | K556 F557 L563 L564 | K556-L560 VanDerWaalsContact O-CB 3.27Å; K556-L560 WeakPolarHBondContact O-CB 3.45Å; K556-L560 PolarHBondContact O-N 3.27Å; F557-L560 PolarHBondContact O-N 2.77Å; L560-L563 PolarHBondContact O-N 3.48Å; L560-L564 VanDerWaalsContact O-CB 3.28Å; L560-L564 WeakPolarHBondContact O-CB 3.24Å; L560-L564 PolarHBondContact O-N 2.8Å |
| 561 | M | 79.1 | Confident | 75.6 | Confident | 74 Ų | 74 | 87.5 Ų | 87.5 | 37% | 0.365 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 175 | -78 | -68.3 | 161 | 0 | 0 | 112.4 | F557 A558 L564 T565 | F557-M561 HydrophobicContact CD1-CG 4.34Å; F557-M561 HydrophobicContact CD2-CG 4.42Å; F557-M561 HydrophobicContact CE1-CG 3.95Å; F557-M561 HydrophobicContact CE2-CE 3.6Å; F557-M561 HydrophobicContact CE2-CG 4.05Å; F557-M561 HydrophobicContact CZ-CE 3.67Å; F557-M561 HydrophobicContact CZ-CG 3.8Å; F557-M561 HydrophobicContact CZ-SD 4.43Å; F557-M561 WeakPolarHBondContact O-CB 3.38Å; F557-M561 WeakPolarHBondContact O-CG 3.41Å; F557-M561 PolarHBondContact O-N 3.47Å; A558-M561 PolarHBondContact O-N 3.08Å; M561-L564 HydrophobicContact CE-CD2 4.12Å; M561-L564 PolarHBondContact O-N 2.93Å; M561-L564 HydrophobicContact SD-CD2 3.96Å; M561-T565 WeakPolarHBondContact O-CB 3.19Å; M561-T565 PolarHBondContact O-N 3.43Å; M561-T565 PolarHBondContact O-OG1 2.8Å |
| 562 | W | 82.1 | Confident | 75.7 | Confident | 174 Ų | 174 | 86.1 Ų | 86.1 | 66% | 0.659 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.5 | -44.9 | 173.2 | 178.3 | 80.1 | 0 | 0 | 0 | 111.7 | A558 V559 L564 T565 Y566 | A558-W562 VanDerWaalsContact O-CB 3.28Å; A558-W562 WeakPolarHBondContact O-CB 3.35Å; A558-W562 PolarHBondContact O-N 3.14Å; V559-W562 PolarHBondContact O-N 3.43Å; W562-L564 VanDerWaalsContact C-N 3.34Å; W562-L564 PolarHBondContact O-N 2.79Å; W562-T565 PolarHBondContact O-N 3.17Å; W562-Y566 WeakPolarHBondContact O-CB 3.45Å; W562-Y566 PolarHBondContact O-N 3.35Å |
| 563 | L | 75.6 | Confident | 75.8 | Confident | 87 Ų | 87 | 84 Ų | 84 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 171.8 | -71.1 | 171.9 | 0 | 0 | 0 | 111.9 | V559 L560 Y566 V567 | V559-L563 HydrophobicContact CG1-CD1 4.23Å; V559-L563 WeakPolarHBondContact O-CB 3.42Å; V559-L563 WeakPolarHBondContact O-CG 3.47Å; V559-L563 PolarHBondContact O-N 3.15Å; L560-L563 PolarHBondContact O-N 3.48Å; L563-Y566 PolarHBondContact O-N 3.28Å; L563-V567 VanDerWaalsContact O-CB 3.31Å; L563-V567 WeakPolarHBondContact O-CB 3.18Å; L563-V567 VanDerWaalsContact O-CG2 3.24Å; L563-V567 WeakPolarHBondContact O-CG2 3.02Å; L563-V567 PolarHBondContact O-N 2.96Å |
| 564 | L | 71 | Confident | 76 | Confident | 87 Ų | 87 | 82.1 Ų | 82.1 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.2 | -35.1 | 178.1 | -172.4 | 62.2 | 0 | 0 | 0 | 112.3 | L560 M561 W562 G568 | L560-L564 VanDerWaalsContact O-CB 3.28Å; L560-L564 WeakPolarHBondContact O-CB 3.24Å; L560-L564 PolarHBondContact O-N 2.8Å; M561-L564 HydrophobicContact CE-CD2 4.12Å; M561-L564 PolarHBondContact O-N 2.93Å; M561-L564 HydrophobicContact SD-CD2 3.96Å; W562-L564 VanDerWaalsContact C-N 3.34Å; W562-L564 PolarHBondContact O-N 2.79Å; L564-G568 PolarHBondContact O-N 3.43Å |
| 565 | T | 76.3 | Confident | 76.3 | Confident | 99 Ų | 99 | 83.8 Ų | 83.8 | 61% | 0.607 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.5 | -42.1 | 172 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | M561 W562 G568 A569 | M561-T565 WeakPolarHBondContact O-CB 3.19Å; M561-T565 PolarHBondContact O-N 3.43Å; M561-T565 PolarHBondContact O-OG1 2.8Å; W562-T565 PolarHBondContact O-N 3.17Å; T565-G568 PolarHBondContact O-N 2.85Å; T565-A569 WeakPolarHBondContact O-CB 3.22Å; T565-A569 PolarHBondContact O-N 3.44Å |
| 566 | Y | 74.9 | Confident | 76.4 | Confident | 143 Ų | 143 | 80.7 Ų | 80.7 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 173.7 | -177.1 | -108.2 | 0 | 0 | 0 | 111.5 | W562 L563 A569 L570 | W562-Y566 WeakPolarHBondContact O-CB 3.45Å; W562-Y566 PolarHBondContact O-N 3.35Å; L563-Y566 PolarHBondContact O-N 3.28Å; Y566-A569 PolarHBondContact O-N 2.95Å; Y566-L570 HydrophobicContact CD1-CD1 3.92Å; Y566-L570 HydrophobicContact CE1-CD1 3.48Å; Y566-L570 VanDerWaalsContact CE1-CD1 3.48Å; Y566-L570 HydrophobicContact CE2-CD1 4.27Å; Y566-L570 HydrophobicContact CG-CD1 4.48Å; Y566-L570 WeakPolarHBondContact O-CG 3.4Å; Y566-L570 PolarHBondContact O-N 3.35Å; Y566-L570 VanDerWaalsContact O-N 3.09Å |
| 567 | V | 72.9 | Confident | 76.6 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 173.4 | 164.9 | 0 | 0 | 0 | 0 | 111.4 | L563 A569 L570 F571 L576 | L563-V567 VanDerWaalsContact O-CB 3.31Å; L563-V567 WeakPolarHBondContact O-CB 3.18Å; L563-V567 VanDerWaalsContact O-CG2 3.24Å; L563-V567 WeakPolarHBondContact O-CG2 3.02Å; L563-V567 PolarHBondContact O-N 2.96Å; V567-A569 PolarHBondContact O-N 2.95Å; V567-L570 PolarHBondContact O-N 3.36Å; V567-F571 HydrophobicContact CG1-CD2 4.12Å; V567-F571 WeakPolarHBondContact O-CB 3.09Å; V567-F571 VanDerWaalsContact O-CD2 3.3Å; V567-F571 WeakPolarHBondContact O-CD2 3.13Å; V567-F571 PolarHBondContact O-N 3.34Å; V567-L576 HydrophobicContact CG1-CD1 4.25Å; V567-L576 HydrophobicContact CG1-CD2 3.45Å; V567-L576 VanDerWaalsContact CG1-CD2 3.45Å |
| 568 | G | 71.4 | Confident | 77 | Confident | 40 Ų | 40 | 78.1 Ų | 78.1 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.5 | -30.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L564 T565 | L564-G568 PolarHBondContact O-N 3.43Å; T565-G568 PolarHBondContact O-N 2.85Å |
| 569 | A | 75.3 | Confident | 77.4 | Confident | 85 Ų | 85 | 79.3 Ų | 79.3 | 70% | 0.702 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -74.2 | -29.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T565 Y566 V567 | T565-A569 WeakPolarHBondContact O-CB 3.22Å; T565-A569 PolarHBondContact O-N 3.44Å; Y566-A569 PolarHBondContact O-N 2.95Å; V567-A569 PolarHBondContact O-N 2.95Å |
| 570 | L | 63.9 | Low | 77.6 | Confident | 101 Ų | 101 | 78.5 Ų | 78.5 | 53% | 0.529 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -84.8 | -24.1 | 176.4 | -70.7 | 175.5 | 0 | 0 | 0 | 113.8 | Y566 V567 | Y566-L570 HydrophobicContact CD1-CD1 3.92Å; Y566-L570 HydrophobicContact CE1-CD1 3.48Å; Y566-L570 VanDerWaalsContact CE1-CD1 3.48Å; Y566-L570 HydrophobicContact CE2-CD1 4.27Å; Y566-L570 HydrophobicContact CG-CD1 4.48Å; Y566-L570 WeakPolarHBondContact O-CG 3.4Å; Y566-L570 PolarHBondContact O-N 3.35Å; Y566-L570 VanDerWaalsContact O-N 3.09Å; V567-L570 PolarHBondContact O-N 3.36Å |
| 571 | F | 68.6 | Low | 77.8 | Confident | 82 Ų | 82 | 75 Ų | 75 | 36% | 0.36 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -132.6 | 119 | -168.7 | -66.5 | -70.1 | 0 | 0 | 0 | 112.6 | V567 G573 T575 L576 L579 | V567-F571 HydrophobicContact CG1-CD2 4.12Å; V567-F571 WeakPolarHBondContact O-CB 3.09Å; V567-F571 VanDerWaalsContact O-CD2 3.3Å; V567-F571 WeakPolarHBondContact O-CD2 3.13Å; V567-F571 PolarHBondContact O-N 3.34Å; F571-G573 PolarHBondContact O-N 2.67Å; F571-T575 WeakPolarHBondContact CB-OG1 3.02Å; F571-L576 HydrophobicContact CB-CD1 4.48Å; F571-L576 HydrophobicContact CB-CD2 3.46Å; F571-L576 VanDerWaalsContact CB-CD2 3.46Å; F571-L576 HydrophobicContact CB-CG 3.73Å; F571-L576 HydrophobicContact CD2-CD2 4.01Å; F571-L576 HydrophobicContact CG-CD2 3.91Å; F571-L579 HydrophobicContact CD1-CD1 4.4Å; F571-L579 HydrophobicContact CE1-CD1 4.3Å; F571-L579 HydrophobicContact CZ-CD1 4.38Å |
| 572 | N | 76.9 | Confident | 78.2 | Confident | 105 Ų | 105 | 73.4 Ų | 73.4 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | trans | -45.1 | 135.8 | 161.3 | 173.6 | -16.5 | 0 | 0 | 0 | 109.5 | L574 T575 L576 | N572-L574 PolarHBondContact O-N 3.04Å; N572-L574 PolarHBondContact OD1-N 3.23Å; N572-T575 HydrophobicContact CB-CG2 4.42Å; N572-T575 PolarHBondContact N-OG1 2.86Å; N572-T575 WeakPolarHBondContact O-CA 3.27Å; N572-T575 PolarHBondContact O-N 2.78Å; N572-T575 PolarHBondContact O-OG1 3.17Å; N572-L576 PolarHBondContact O-N 3.16Å; N572-L576 VanDerWaalsContact O-N 3.09Å | ||
| 573 | G | 78.3 | Confident | 78.3 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -52.7 | -26.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F571 L576 L577 | F571-G573 PolarHBondContact O-N 2.67Å; G573-L576 PolarHBondContact O-N 2.8Å; G573-L577 PolarHBondContact O-N 3.04Å |
| 574 | L | 78.5 | Confident | 78.7 | Confident | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.089 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -71.2 | -39.1 | 171.5 | -144.8 | -175.4 | 0 | 0 | 0 | 112.9 | L464 L467 T468 V472 N572 L576 L577 I578 | L464-L574 HydrophobicContact CB-CD2 4.27Å; L464-L574 HydrophobicContact CG-CD2 4.38Å; L464-L574 WeakPolarHBondContact O-CD2 3.12Å; L467-L574 HydrophobicContact CB-CD1 3.83Å; L467-L574 WeakPolarHBondContact O-CD1 3.28Å; T468-L574 HydrophobicContact CG2-CD1 3.91Å; T468-L574 HydrophobicContact CG2-CD2 4.03Å; T468-L574 HydrophobicContact CG2-CG 4.39Å; V472-L574 HydrophobicContact CG2-CD1 3.39Å; V472-L574 HydrophobicContact CG2-CG 4.26Å; N572-L574 PolarHBondContact O-N 3.04Å; N572-L574 PolarHBondContact OD1-N 3.23Å; L574-L576 VanDerWaalsContact C-N 3.28Å; L574-L576 PolarHBondContact O-N 3.31Å; L574-L577 WeakPolarHBondContact O-CB 3.22Å; L574-L577 PolarHBondContact O-N 3.34Å; L574-L577 VanDerWaalsContact O-N 3.16Å; L574-I578 HydrophobicContact CD2-CD1 3.98Å; L574-I578 HydrophobicContact CD2-CG1 4.08Å; L574-I578 WeakPolarHBondContact O-CG1 3.2Å; L574-I578 PolarHBondContact O-N 2.96Å |
| 575 | T | 82.1 | Confident | 79.2 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 27% | 0.27 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67 | -30.3 | 172.7 | 55.5 | 0 | 0 | 0 | 0 | 112 | T468 F571 N572 I578 L579 | T468-T575 HydrophobicContact CG2-CG2 4.47Å; F571-T575 WeakPolarHBondContact CB-OG1 3.02Å; N572-T575 HydrophobicContact CB-CG2 4.42Å; N572-T575 PolarHBondContact N-OG1 2.86Å; N572-T575 WeakPolarHBondContact O-CA 3.27Å; N572-T575 PolarHBondContact O-N 2.78Å; N572-T575 PolarHBondContact O-OG1 3.17Å; T575-I578 PolarHBondContact O-N 3.24Å; T575-L579 WeakPolarHBondContact O-CB 3.35Å; T575-L579 WeakPolarHBondContact O-CG 3.31Å; T575-L579 PolarHBondContact O-N 3.48Å |
| 576 | L | 83.1 | Confident | 79.4 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.7 | -39 | 167.9 | -62.7 | -176.2 | 0 | 0 | 0 | 112.5 | V567 F571 N572 G573 L574 I578 L579 A580 | V567-L576 HydrophobicContact CG1-CD1 4.25Å; V567-L576 HydrophobicContact CG1-CD2 3.45Å; V567-L576 VanDerWaalsContact CG1-CD2 3.45Å; F571-L576 HydrophobicContact CB-CD1 4.48Å; F571-L576 HydrophobicContact CB-CD2 3.46Å; F571-L576 VanDerWaalsContact CB-CD2 3.46Å; F571-L576 HydrophobicContact CB-CG 3.73Å; F571-L576 HydrophobicContact CD2-CD2 4.01Å; F571-L576 HydrophobicContact CG-CD2 3.91Å; N572-L576 PolarHBondContact O-N 3.16Å; N572-L576 VanDerWaalsContact O-N 3.09Å; G573-L576 PolarHBondContact O-N 2.8Å; L574-L576 VanDerWaalsContact C-N 3.28Å; L574-L576 PolarHBondContact O-N 3.31Å; L576-I578 VanDerWaalsContact C-N 3.34Å; L576-L579 HydrophobicContact CD2-CD1 4.33Å; L576-L579 PolarHBondContact O-N 3.29Å; L576-A580 WeakPolarHBondContact O-CB 3.48Å; L576-A580 PolarHBondContact O-N 2.93Å |
| 577 | L | 83.8 | Confident | 79.7 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 48% | 0.482 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 172.8 | -176.9 | 66.4 | 0 | 0 | 0 | 111.8 | L464 G573 L574 A580 V581 | L464-L577 HydrophobicContact CD2-CD2 4.14Å; L464-L577 HydrophobicContact CD2-CG 3.94Å; L464-L577 HydrophobicContact CG-CD2 4.37Å; G573-L577 PolarHBondContact O-N 3.04Å; L574-L577 WeakPolarHBondContact O-CB 3.22Å; L574-L577 PolarHBondContact O-N 3.34Å; L574-L577 VanDerWaalsContact O-N 3.16Å; L577-A580 PolarHBondContact O-N 3.1Å; L577-V581 WeakPolarHBondContact O-CG2 3.32Å; L577-V581 PolarHBondContact O-N 3.38Å |
| 578 | I | 85.6 | Confident | 80 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 14% | 0.138 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 171.8 | -74.3 | 167.6 | 0 | 0 | 0 | 110.3 | L461 L464 T468 L574 T575 L576 A580 V581 V582 | L461-I578 HydrophobicContact CD1-CG2 3.92Å; L464-I578 HydrophobicContact CB-CD1 4.31Å; L464-I578 HydrophobicContact CB-CG1 3.78Å; L464-I578 HydrophobicContact CD2-CG1 4.21Å; L464-I578 HydrophobicContact CG-CG1 4.5Å; T468-I578 HydrophobicContact CG2-CD1 3.51Å; L574-I578 HydrophobicContact CD2-CD1 3.98Å; L574-I578 HydrophobicContact CD2-CG1 4.08Å; L574-I578 WeakPolarHBondContact O-CG1 3.2Å; L574-I578 PolarHBondContact O-N 2.96Å; T575-I578 PolarHBondContact O-N 3.24Å; L576-I578 VanDerWaalsContact C-N 3.34Å; I578-A580 VanDerWaalsContact C-N 3.26Å; I578-A580 PolarHBondContact O-N 3.49Å; I578-V581 PolarHBondContact O-N 2.78Å; I578-V582 HydrophobicContact CG2-CG2 4.23Å; I578-V582 WeakPolarHBondContact O-CB 3.39Å; I578-V582 VanDerWaalsContact O-CG2 3.27Å; I578-V582 WeakPolarHBondContact O-CG2 3.2Å; I578-V582 PolarHBondContact O-N 3.37Å |
| 579 | L | 84.9 | Confident | 80.3 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60 | -35.7 | 177.8 | -75.8 | 171 | 0 | 0 | 0 | 112.3 | F571 T575 L576 S583 | F571-L579 HydrophobicContact CD1-CD1 4.4Å; F571-L579 HydrophobicContact CE1-CD1 4.3Å; F571-L579 HydrophobicContact CZ-CD1 4.38Å; T575-L579 WeakPolarHBondContact O-CB 3.35Å; T575-L579 WeakPolarHBondContact O-CG 3.31Å; T575-L579 PolarHBondContact O-N 3.48Å; L576-L579 HydrophobicContact CD2-CD1 4.33Å; L576-L579 PolarHBondContact O-N 3.29Å; L579-S583 WeakPolarHBondContact O-CB 3.39Å; L579-S583 PolarHBondContact O-N 2.99Å; L579-S583 PolarHBondContact O-OG 3.24Å |
| 580 | A | 85.1 | Confident | 80.5 | Confident | 57 Ų | 57 | 60 Ų | 60 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.9 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L576 L577 I578 S583 M584 | L576-A580 WeakPolarHBondContact O-CB 3.48Å; L576-A580 PolarHBondContact O-N 2.93Å; L577-A580 PolarHBondContact O-N 3.1Å; I578-A580 VanDerWaalsContact C-N 3.26Å; I578-A580 PolarHBondContact O-N 3.49Å; A580-S583 PolarHBondContact O-N 3.05Å; A580-M584 WeakPolarHBondContact O-CB 3.17Å; A580-M584 PolarHBondContact O-N 2.97Å |
| 581 | V | 84.9 | Confident | 81.3 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 17% | 0.17 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 177.4 | 171 | 0 | 0 | 0 | 0 | 111.6 | F457 V460 L464 L577 I578 M584 F585 | F457-V581 HydrophobicContact CE2-CG1 4.38Å; V460-V581 HydrophobicContact CG1-CG1 4.15Å; L464-V581 HydrophobicContact CD2-CB 4.38Å; L464-V581 HydrophobicContact CD2-CG2 3.89Å; L577-V581 WeakPolarHBondContact O-CG2 3.32Å; L577-V581 PolarHBondContact O-N 3.38Å; I578-V581 PolarHBondContact O-N 2.78Å; V581-M584 PolarHBondContact O-N 3.14Å; V581-F585 HydrophobicContact CG1-CD2 4.49Å; V581-F585 PolarHBondContact O-N 3.45Å |
| 582 | V | 87.3 | Confident | 81.8 | Confident | 41 Ų | 41 | 61.9 Ų | 61.9 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.1 | -56 | 172 | 171.1 | 0 | 0 | 0 | 0 | 109.4 | F457 L461 I578 M584 F585 T586 | F457-V582 HydrophobicContact CZ-CG2 4.15Å; L461-V582 HydrophobicContact CD1-CG2 3.61Å; I578-V582 HydrophobicContact CG2-CG2 4.23Å; I578-V582 WeakPolarHBondContact O-CB 3.39Å; I578-V582 VanDerWaalsContact O-CG2 3.27Å; I578-V582 WeakPolarHBondContact O-CG2 3.2Å; I578-V582 PolarHBondContact O-N 3.37Å; V582-M584 VanDerWaalsContact C-N 3.29Å; V582-M584 PolarHBondContact O-N 3.26Å; V582-F585 PolarHBondContact O-N 2.86Å; V582-F585 VanDerWaalsContact O-N 3.12Å; V582-T586 HydrophobicContact CG1-CG2 3.97Å; V582-T586 WeakPolarHBondContact O-CB 3.43Å; V582-T586 WeakPolarHBondContact O-CG2 3.24Å; V582-T586 PolarHBondContact O-N 3.42Å; V582-T586 PolarHBondContact O-OG1 2.8Å |
| 583 | S | 84.2 | Confident | 81.8 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.6 | -39.9 | -179.1 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | L579 A580 F585 L587 | L579-S583 WeakPolarHBondContact O-CB 3.39Å; L579-S583 PolarHBondContact O-N 2.99Å; L579-S583 PolarHBondContact O-OG 3.24Å; A580-S583 PolarHBondContact O-N 3.05Å; S583-F585 VanDerWaalsContact C-N 3.28Å; S583-F585 PolarHBondContact O-N 3.21Å; S583-L587 WeakPolarHBondContact O-CB 3.43Å; S583-L587 WeakPolarHBondContact O-CG 3.26Å; S583-L587 PolarHBondContact O-N 3.45Å |
| 584 | M | 83.8 | Confident | 81.9 | Confident | 123 Ų | 123 | 65.9 Ų | 65.9 | 61% | 0.606 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.9 | -35.9 | -179.8 | -154 | -173.6 | -170.5 | 0 | 0 | 112.3 | L445 A580 V581 V582 P588 | L445-M584 HydrophobicContact CD1-CG 4.06Å; L445-M584 VanDerWaalsContact CD1-O 3.3Å; L445-M584 WeakPolarHBondContact CD1-O 3.47Å; L445-M584 WeakPolarHBondContact CG-O 3.49Å; A580-M584 WeakPolarHBondContact O-CB 3.17Å; A580-M584 PolarHBondContact O-N 2.97Å; V581-M584 PolarHBondContact O-N 3.14Å; V582-M584 VanDerWaalsContact C-N 3.29Å; V582-M584 PolarHBondContact O-N 3.26Å; M584-P588 VanDerWaalsContact O-CD 3.23Å; M584-P588 WeakPolarHBondContact O-CD 3.26Å; M584-P588 VanDerWaalsContact O-CG 3.31Å; M584-P588 WeakPolarHBondContact O-CG 2.9Å |
| 585 | F | 81.9 | Confident | 81.8 | Confident | 31 Ų | 31 | 70 Ų | 70 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -93.2 | -27.2 | 179.4 | -83.9 | -96.5 | 0 | 0 | 0 | 114.3 | L444 L445 W447 F457 V581 V582 S583 | L444-F585 HydrophobicContact CB-CE1 4.35Å; L445-F585 HydrophobicContact CD1-CD1 4.06Å; L445-F585 HydrophobicContact CD1-CD2 3.84Å; L445-F585 HydrophobicContact CD1-CE1 4.1Å; L445-F585 HydrophobicContact CD1-CE2 3.88Å; L445-F585 HydrophobicContact CD1-CG 3.94Å; L445-F585 HydrophobicContact CD1-CZ 4.02Å; W447-F585 AromaticContact NE1-CD1 3.95Å; F457-F585 HydrophobicContact CB-CD1 4.3Å; F457-F585 HydrophobicContact CB-CE1 4.49Å; F457-F585 HydrophobicContact CD2-CB 3.61Å; F457-F585 HydrophobicContact CD2-CD1 4.02Å; F457-F585 AromaticContact CD2-CD2 3.78Å; F457-F585 HydrophobicContact CD2-CD2 3.78Å; F457-F585 HydrophobicContact CD2-CE2 4.44Å; F457-F585 AromaticContact CD2-CG 3.53Å; F457-F585 HydrophobicContact CD2-CG 3.53Å; F457-F585 HydrophobicContact CE2-CB 3.64Å; F457-F585 HydrophobicContact CE2-CD2 4.22Å; F457-F585 HydrophobicContact CE2-CG 4.03Å; F457-F585 HydrophobicContact CG-CB 4.45Å; F457-F585 HydrophobicContact CG-CD1 4.45Å; F457-F585 HydrophobicContact CG-CG 4.37Å; V581-F585 HydrophobicContact CG1-CD2 4.49Å; V581-F585 PolarHBondContact O-N 3.45Å; V582-F585 PolarHBondContact O-N 2.86Å; V582-F585 VanDerWaalsContact O-N 3.12Å; S583-F585 VanDerWaalsContact C-N 3.28Å; S583-F585 PolarHBondContact O-N 3.21Å |
| 586 | T | 79.4 | Confident | 81.7 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -90.9 | -42.2 | -178.5 | 61 | 0 | 0 | 0 | 0 | 112.5 | V582 V589 V590 | V582-T586 HydrophobicContact CG1-CG2 3.97Å; V582-T586 WeakPolarHBondContact O-CB 3.43Å; V582-T586 WeakPolarHBondContact O-CG2 3.24Å; V582-T586 PolarHBondContact O-N 3.42Å; V582-T586 PolarHBondContact O-OG1 2.8Å; T586-V589 PolarHBondContact O-N 2.91Å; T586-V590 VanDerWaalsContact O-CB 3.25Å; T586-V590 WeakPolarHBondContact O-CB 3.31Å; T586-V590 VanDerWaalsContact O-CG2 3.26Å; T586-V590 WeakPolarHBondContact O-CG2 3.44Å; T586-V590 PolarHBondContact O-N 2.98Å |
| 587 | L | 81.5 | Confident | 81.4 | Confident | 111 Ų | 111 | 74.6 Ų | 74.6 | 58% | 0.581 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -56.4 | -48.3 | -177.6 | -67 | 175.8 | 0 | 0 | 0 | 114 | S583 V589 Y591 | S583-L587 WeakPolarHBondContact O-CB 3.43Å; S583-L587 WeakPolarHBondContact O-CG 3.26Å; S583-L587 PolarHBondContact O-N 3.45Å; L587-V589 PolarHBondContact O-N 2.73Å; L587-Y591 WeakPolarHBondContact O-CB 3.07Å; L587-Y591 PolarHBondContact O-N 3.06Å |
| 588 | P | 78.5 | Confident | 81.3 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 17% | 0.169 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | -179.8 | 23.6 | -32.3 | 0 | 0 | 0 | 112.5 | L445 Y446 M584 E592 | L445-P588 HydrophobicContact CD2-CG 4.26Å; L445-P588 HydrophobicContact CG-CG 4.11Å; Y446-P588 HydrophobicContact CE1-CB 4.33Å; M584-P588 VanDerWaalsContact O-CD 3.23Å; M584-P588 WeakPolarHBondContact O-CD 3.26Å; M584-P588 VanDerWaalsContact O-CG 3.31Å; M584-P588 WeakPolarHBondContact O-CG 2.9Å; P588-E592 PolarHBondContact O-N 3.3Å |
| 589 | V | 78.3 | Confident | 81.2 | Confident | 29 Ų | 29 | 75.4 Ų | 75.4 | 18% | 0.176 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -71.6 | -45.7 | -179.6 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | L445 W447 T586 L587 Y591 E592 K593 | L445-V589 WeakPolarHBondContact O-CG2 3.48Å; W447-V589 HydrophobicContact CB-CG2 4.05Å; W447-V589 VanDerWaalsContact CD1-CG2 3.47Å; W447-V589 HydrophobicContact CG-CG2 3.88Å; T586-V589 PolarHBondContact O-N 2.91Å; L587-V589 PolarHBondContact O-N 2.73Å; V589-Y591 VanDerWaalsContact C-N 3.29Å; V589-Y591 PolarHBondContact O-N 2.81Å; V589-E592 PolarHBondContact O-N 3.28Å; V589-K593 HydrophobicContact CG1-CG 4.4Å; V589-K593 WeakPolarHBondContact O-CB 3.31Å; V589-K593 VanDerWaalsContact O-CG 3.3Å; V589-K593 WeakPolarHBondContact O-CG 3.4Å; V589-K593 PolarHBondContact O-N 3.27Å |
| 590 | V | 79.1 | Confident | 81.1 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 44% | 0.436 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 176.6 | 170.3 | 0 | 0 | 0 | 0 | 110 | T586 K593 H594 I598 | T586-V590 VanDerWaalsContact O-CB 3.25Å; T586-V590 WeakPolarHBondContact O-CB 3.31Å; T586-V590 VanDerWaalsContact O-CG2 3.26Å; T586-V590 WeakPolarHBondContact O-CG2 3.44Å; T586-V590 PolarHBondContact O-N 2.98Å; V590-K593 PolarHBondContact O-N 3Å; V590-H594 WeakPolarHBondContact O-CB 3.3Å; V590-H594 PolarHBondContact O-N 3.2Å; V590-I598 HydrophobicContact CG1-CD1 3.97Å; V590-I598 WeakPolarHBondContact O-CD1 3.22Å |
| 591 | Y | 80.8 | Confident | 81 | Confident | 119 Ų | 119 | 82.8 Ų | 82.8 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.7 | -56.2 | 171.7 | -170.9 | -100.5 | 0 | 0 | 0 | 111.4 | L587 V589 K593 H594 Q595 I598 | L587-Y591 WeakPolarHBondContact O-CB 3.07Å; L587-Y591 PolarHBondContact O-N 3.06Å; V589-Y591 VanDerWaalsContact C-N 3.29Å; V589-Y591 PolarHBondContact O-N 2.81Å; Y591-K593 VanDerWaalsContact C-N 3.31Å; Y591-K593 PolarHBondContact O-N 3.4Å; Y591-H594 PolarHBondContact O-N 2.85Å; Y591-Q595 HydrophobicContact CD1-CG 4.22Å; Y591-Q595 HydrophobicContact CE1-CG 4.13Å; Y591-Q595 WeakPolarHBondContact O-CA 3.18Å; Y591-Q595 WeakPolarHBondContact O-CG 3.11Å; Y591-Q595 PolarHBondContact O-N 2.9Å; Y591-I598 HydrophobicContact CD2-CG2 4.34Å |
| 592 | E | 79.8 | Confident | 80.9 | Confident | 102 Ų | 102 | 83.9 Ų | 83.9 | 48% | 0.477 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -55.8 | -40.7 | 177.7 | -79.9 | -161.7 | 153.9 | 0 | 0 | 113.8 | Y446 P588 V589 | Y446-E592 VanDerWaalsContact CD1-CD 3.49Å; Y446-E592 HydrophobicContact CD1-CG 4.3Å; Y446-E592 WeakPolarHBondContact CD1-OE1 3.2Å; Y446-E592 HydrophobicContact CE1-CG 4.09Å; Y446-E592 WeakPolarHBondContact CE1-OE1 3.5Å; P588-E592 PolarHBondContact O-N 3.3Å; V589-E592 PolarHBondContact O-N 3.28Å |
| 593 | K | 77.6 | Confident | 80.7 | Confident | 158 Ų | 158 | 83 Ų | 83 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -76.5 | -26.8 | -177.5 | -67 | -60.1 | 179.2 | -168.7 | 0 | 114.1 | V589 V590 Y591 | V589-K593 HydrophobicContact CG1-CG 4.4Å; V589-K593 WeakPolarHBondContact O-CB 3.31Å; V589-K593 VanDerWaalsContact O-CG 3.3Å; V589-K593 WeakPolarHBondContact O-CG 3.4Å; V589-K593 PolarHBondContact O-N 3.27Å; V590-K593 PolarHBondContact O-N 3Å; Y591-K593 VanDerWaalsContact C-N 3.31Å; Y591-K593 PolarHBondContact O-N 3.4Å |
| 594 | H | 79.8 | Confident | 80.8 | Confident | 85 Ų | 85 | 85.3 Ų | 85.3 | 39% | 0.394 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -125.9 | 21.1 | -172.6 | -61.9 | -89.9 | 0 | 0 | 0 | 113.6 | V590 Y591 A596 Q597 I598 | V590-H594 WeakPolarHBondContact O-CB 3.3Å; V590-H594 PolarHBondContact O-N 3.2Å; Y591-H594 PolarHBondContact O-N 2.85Å; H594-A596 VanDerWaalsContact C-N 3.34Å; H594-A596 PolarHBondContact O-N 3.22Å; H594-A596 VanDerWaalsContact O-N 3.12Å; H594-Q597 HydrophobicContact CB-CB 4.4Å; H594-Q597 PolarHBondContact ND1-OE1 2.8Å; H594-Q597 WeakPolarHBondContact O-CA 3.13Å; H594-Q597 PolarHBondContact O-N 2.71Å; H594-I598 HydrophobicContact CB-CD1 3.71Å; H594-I598 HydrophobicContact CB-CG1 3.94Å; H594-I598 WeakPolarHBondContact O-CG1 3.34Å; H594-I598 PolarHBondContact O-N 2.94Å |
| 595 | Q | 76.8 | Confident | 81 | Confident | 104 Ų | 104 | 84.6 Ų | 84.6 | 49% | 0.486 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -41.4 | -54.8 | -174.9 | -68.2 | -169.9 | -14.3 | 0 | 0 | 113.7 | Y591 Q597 I598 D599 | Y591-Q595 HydrophobicContact CD1-CG 4.22Å; Y591-Q595 HydrophobicContact CE1-CG 4.13Å; Y591-Q595 WeakPolarHBondContact O-CA 3.18Å; Y591-Q595 WeakPolarHBondContact O-CG 3.11Å; Y591-Q595 PolarHBondContact O-N 2.9Å; Q595-Q597 PolarHBondContact O-N 2.96Å; Q595-I598 PolarHBondContact O-N 3.02Å; Q595-D599 WeakPolarHBondContact O-CB 3.32Å; Q595-D599 PolarHBondContact O-N 3.04Å |
| 596 | A | 78.9 | Confident | 81.4 | Confident | 82 Ų | 82 | 89.9 Ų | 89.9 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.7 | -36.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H594 Q600 | H594-A596 VanDerWaalsContact C-N 3.34Å; H594-A596 PolarHBondContact O-N 3.22Å; H594-A596 VanDerWaalsContact O-N 3.12Å; A596-Q600 WeakPolarHBondContact O-CB 3.32Å; A596-Q600 PolarHBondContact O-N 3.44Å |
| 597 | Q | 77.5 | Confident | 81.9 | Confident | 108 Ų | 108 | 92 Ų | 92 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.1 | -41.5 | 177.5 | -67.5 | 175.9 | -17.5 | 0 | 0 | 111 | H594 Q595 Q600 Y601 | H594-Q597 HydrophobicContact CB-CB 4.4Å; H594-Q597 PolarHBondContact ND1-OE1 2.8Å; H594-Q597 WeakPolarHBondContact O-CA 3.13Å; H594-Q597 PolarHBondContact O-N 2.71Å; Q595-Q597 PolarHBondContact O-N 2.96Å; Q597-Q600 PolarHBondContact O-N 3.13Å; Q597-Y601 WeakPolarHBondContact O-CD2 3.5Å; Q597-Y601 PolarHBondContact O-N 2.95Å |
| 598 | I | 82.4 | Confident | 82.1 | Confident | 48 Ų | 48 | 92.5 Ų | 92.5 | 25% | 0.246 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67.3 | -45.6 | 178.2 | -67.6 | 165.5 | 0 | 0 | 0 | 110.4 | V590 Y591 H594 Q595 Q600 Y601 V602 | V590-I598 HydrophobicContact CG1-CD1 3.97Å; V590-I598 WeakPolarHBondContact O-CD1 3.22Å; Y591-I598 HydrophobicContact CD2-CG2 4.34Å; H594-I598 HydrophobicContact CB-CD1 3.71Å; H594-I598 HydrophobicContact CB-CG1 3.94Å; H594-I598 WeakPolarHBondContact O-CG1 3.34Å; H594-I598 PolarHBondContact O-N 2.94Å; Q595-I598 PolarHBondContact O-N 3.02Å; I598-Q600 VanDerWaalsContact C-N 3.32Å; I598-Q600 PolarHBondContact O-N 2.81Å; I598-Y601 PolarHBondContact O-N 3.16Å; I598-V602 HydrophobicContact CG2-CG2 4.21Å; I598-V602 WeakPolarHBondContact O-CB 3.43Å; I598-V602 VanDerWaalsContact O-CG2 3.26Å; I598-V602 WeakPolarHBondContact O-CG2 3.38Å; I598-V602 PolarHBondContact O-N 2.95Å |
| 599 | D | 83.5 | Confident | 82.6 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70 | -29.3 | 176.8 | -165 | 54.9 | 0 | 0 | 0 | 112 | Q595 G603 R606 | Q595-D599 WeakPolarHBondContact O-CB 3.32Å; Q595-D599 PolarHBondContact O-N 3.04Å; D599-G603 WeakPolarHBondContact O-CA 3.33Å; D599-G603 PolarHBondContact O-N 3.04Å; D599-R606 IonicContact OD1-NH1 3.4Å; D599-R606 PolarHBondContact OD1-NH1 3.14Å |
| 600 | Q | 82.3 | Confident | 83 | Confident | 130 Ų | 130 | 98.9 Ų | 98.9 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -47.8 | 166.9 | -177.6 | 177.4 | -2.9 | 0 | 0 | 111.7 | A596 Q597 I598 G603 L604 | A596-Q600 WeakPolarHBondContact O-CB 3.32Å; A596-Q600 PolarHBondContact O-N 3.44Å; Q597-Q600 PolarHBondContact O-N 3.13Å; I598-Q600 VanDerWaalsContact C-N 3.32Å; I598-Q600 PolarHBondContact O-N 2.81Å; Q600-G603 PolarHBondContact O-N 3.46Å; Q600-L604 HydrophobicContact CG-CD1 4.09Å; Q600-L604 VanDerWaalsContact O-CD1 3.26Å; Q600-L604 WeakPolarHBondContact O-CD1 3.5Å; Q600-L604 PolarHBondContact O-N 2.84Å |
| 601 | Y | 82.4 | Confident | 83.5 | Confident | 160 Ų | 160 | 97.5 Ų | 97.5 | 63% | 0.627 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -40.4 | 176.8 | -81 | -63.4 | 0 | 0 | 0 | 112.5 | Q597 I598 G603 L604 I605 | Q597-Y601 WeakPolarHBondContact O-CD2 3.5Å; Q597-Y601 PolarHBondContact O-N 2.95Å; I598-Y601 PolarHBondContact O-N 3.16Å; Y601-G603 VanDerWaalsContact C-N 3.31Å; Y601-L604 PolarHBondContact O-N 3.46Å; Y601-I605 WeakPolarHBondContact O-CB 3.35Å; Y601-I605 WeakPolarHBondContact O-CD1 3.28Å; Y601-I605 VanDerWaalsContact O-CG1 3.25Å; Y601-I605 WeakPolarHBondContact O-CG1 3.36Å; Y601-I605 PolarHBondContact O-N 3.37Å |
| 602 | V | 83.6 | Confident | 83.7 | Confident | 51 Ų | 51 | 95.3 Ų | 95.3 | 31% | 0.309 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -34.6 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | I598 I605 R606 | I598-V602 HydrophobicContact CG2-CG2 4.21Å; I598-V602 WeakPolarHBondContact O-CB 3.43Å; I598-V602 VanDerWaalsContact O-CG2 3.26Å; I598-V602 WeakPolarHBondContact O-CG2 3.38Å; I598-V602 PolarHBondContact O-N 2.95Å; V602-I605 PolarHBondContact O-N 2.79Å; V602-R606 HydrophobicContact CG1-CG 4.35Å; V602-R606 VanDerWaalsContact CG1-CZ 3.41Å; V602-R606 VanDerWaalsContact O-CB 3.26Å; V602-R606 WeakPolarHBondContact O-CB 3.44Å; V602-R606 WeakPolarHBondContact O-CG 3.3Å; V602-R606 PolarHBondContact O-N 3.06Å |
| 603 | G | 82.4 | Confident | 83.9 | Confident | 23 Ų | 23 | 94 Ų | 94 | 24% | 0.237 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D599 Q600 Y601 R606 T607 | D599-G603 WeakPolarHBondContact O-CA 3.33Å; D599-G603 PolarHBondContact O-N 3.04Å; Q600-G603 PolarHBondContact O-N 3.46Å; Y601-G603 VanDerWaalsContact C-N 3.31Å; G603-R606 PolarHBondContact O-N 3.44Å; G603-T607 VanDerWaalsContact O-CB 3.28Å; G603-T607 WeakPolarHBondContact O-CB 3.29Å; G603-T607 PolarHBondContact O-N 2.74Å; G603-T607 PolarHBondContact O-OG1 3.08Å |
| 604 | L | 86.4 | Confident | 84.2 | Confident | 94 Ų | 94 | 87.9 Ų | 87.9 | 49% | 0.492 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61 | -46 | 172.1 | -96.7 | 70 | 0 | 0 | 0 | 111.3 | Q600 Y601 T607 Q608 | Q600-L604 HydrophobicContact CG-CD1 4.09Å; Q600-L604 VanDerWaalsContact O-CD1 3.26Å; Q600-L604 WeakPolarHBondContact O-CD1 3.5Å; Q600-L604 PolarHBondContact O-N 2.84Å; Y601-L604 PolarHBondContact O-N 3.46Å; L604-T607 PolarHBondContact O-N 2.86Å; L604-Q608 WeakPolarHBondContact O-CB 3.29Å; L604-Q608 WeakPolarHBondContact O-CG 3.28Å; L604-Q608 PolarHBondContact O-N 2.91Å |
| 605 | I | 88.8 | Confident | 84.5 | Confident | 108 Ų | 108 | 89.6 Ų | 89.6 | 55% | 0.554 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.5 | -46.4 | 177.3 | -69.4 | 161.3 | 0 | 0 | 0 | 110.5 | Y601 V602 T607 Q608 V609 | Y601-I605 WeakPolarHBondContact O-CB 3.35Å; Y601-I605 WeakPolarHBondContact O-CD1 3.28Å; Y601-I605 VanDerWaalsContact O-CG1 3.25Å; Y601-I605 WeakPolarHBondContact O-CG1 3.36Å; Y601-I605 PolarHBondContact O-N 3.37Å; V602-I605 PolarHBondContact O-N 2.79Å; I605-T607 VanDerWaalsContact C-N 3.26Å; I605-T607 PolarHBondContact O-N 2.92Å; I605-Q608 PolarHBondContact O-N 3.33Å; I605-V609 HydrophobicContact CG2-CG2 4.25Å; I605-V609 WeakPolarHBondContact O-CB 3.4Å; I605-V609 VanDerWaalsContact O-CG2 3.26Å; I605-V609 WeakPolarHBondContact O-CG2 3.44Å; I605-V609 PolarHBondContact O-N 3.29Å |
| 606 | R | 88.8 | Confident | 84.7 | Confident | 142 Ų | 142 | 88.7 Ų | 88.7 | 54% | 0.536 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.9 | -38.9 | 172.9 | -76.7 | 168.8 | 178.6 | 150 | 0.6 | 111.5 | D599 V602 G603 N610 | D599-R606 IonicContact OD1-NH1 3.4Å; D599-R606 PolarHBondContact OD1-NH1 3.14Å; V602-R606 HydrophobicContact CG1-CG 4.35Å; V602-R606 VanDerWaalsContact CG1-CZ 3.41Å; V602-R606 VanDerWaalsContact O-CB 3.26Å; V602-R606 WeakPolarHBondContact O-CB 3.44Å; V602-R606 WeakPolarHBondContact O-CG 3.3Å; V602-R606 PolarHBondContact O-N 3.06Å; G603-R606 PolarHBondContact O-N 3.44Å; R606-N610 WeakPolarHBondContact O-CB 3.27Å; R606-N610 PolarHBondContact O-N 2.96Å; R606-N610 PolarHBondContact O-ND2 2.88Å; R606-N610 PolarHBondContact O-OD1 3.12Å |
| 607 | T | 90.5 | Very high | 84.5 | Confident | 93 Ų | 93 | 91.6 Ų | 91.6 | 57% | 0.571 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.7 | -41.3 | 178.9 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | G603 L604 I605 N610 S611 | G603-T607 VanDerWaalsContact O-CB 3.28Å; G603-T607 WeakPolarHBondContact O-CB 3.29Å; G603-T607 PolarHBondContact O-N 2.74Å; G603-T607 PolarHBondContact O-OG1 3.08Å; L604-T607 PolarHBondContact O-N 2.86Å; I605-T607 VanDerWaalsContact C-N 3.26Å; I605-T607 PolarHBondContact O-N 2.92Å; T607-N610 PolarHBondContact O-N 3.36Å; T607-S611 VanDerWaalsContact O-CB 3.27Å; T607-S611 WeakPolarHBondContact O-CB 3.42Å; T607-S611 PolarHBondContact O-N 3.07Å |
| 608 | Q | 86.5 | Confident | 84.4 | Confident | 120 Ų | 120 | 90.3 Ų | 90.3 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68.8 | -42.1 | 174.5 | -69.3 | -66.1 | -2.4 | 0 | 0 | 111.6 | L604 I605 S611 V612 | L604-Q608 WeakPolarHBondContact O-CB 3.29Å; L604-Q608 WeakPolarHBondContact O-CG 3.28Å; L604-Q608 PolarHBondContact O-N 2.91Å; I605-Q608 PolarHBondContact O-N 3.33Å; Q608-S611 PolarHBondContact O-N 2.86Å; Q608-V612 WeakPolarHBondContact O-CB 3.35Å; Q608-V612 VanDerWaalsContact O-CG2 3.29Å; Q608-V612 WeakPolarHBondContact O-CG2 3.42Å; Q608-V612 PolarHBondContact O-N 3.22Å |
| 609 | V | 88.5 | Confident | 83.8 | Confident | 76 Ų | 76 | 96.5 Ų | 96.5 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 172.6 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | I605 S611 V612 V613 | I605-V609 HydrophobicContact CG2-CG2 4.25Å; I605-V609 WeakPolarHBondContact O-CB 3.4Å; I605-V609 VanDerWaalsContact O-CG2 3.26Å; I605-V609 WeakPolarHBondContact O-CG2 3.44Å; I605-V609 PolarHBondContact O-N 3.29Å; V609-S611 VanDerWaalsContact C-N 3.33Å; V609-S611 PolarHBondContact O-N 3.33Å; V609-V612 PolarHBondContact O-N 3Å; V609-V613 HydrophobicContact CG1-CG2 4.19Å; V609-V613 VanDerWaalsContact O-CB 3.28Å; V609-V613 WeakPolarHBondContact O-CB 3.45Å; V609-V613 VanDerWaalsContact O-CG2 3.24Å; V609-V613 WeakPolarHBondContact O-CG2 3.26Å; V609-V613 PolarHBondContact O-N 2.89Å |
| 610 | N | 87.8 | Confident | 82.9 | Confident | 113 Ų | 113 | 97.7 Ų | 97.7 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.1 | -33.4 | 175.8 | -71.6 | -8.5 | 0 | 0 | 0 | 112.4 | R606 T607 G614 | R606-N610 WeakPolarHBondContact O-CB 3.27Å; R606-N610 PolarHBondContact O-N 2.96Å; R606-N610 PolarHBondContact O-ND2 2.88Å; R606-N610 PolarHBondContact O-OD1 3.12Å; T607-N610 PolarHBondContact O-N 3.36Å; N610-G614 PolarHBondContact O-N 3.44Å |
| 611 | S | 87.9 | Confident | 81.5 | Confident | 43 Ų | 43 | 97.5 Ų | 97.5 | 30% | 0.301 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 173.4 | -169 | 0 | 0 | 0 | 0 | 111.7 | T607 Q608 V609 K615 | T607-S611 VanDerWaalsContact O-CB 3.27Å; T607-S611 WeakPolarHBondContact O-CB 3.42Å; T607-S611 PolarHBondContact O-N 3.07Å; Q608-S611 PolarHBondContact O-N 2.86Å; V609-S611 VanDerWaalsContact C-N 3.33Å; V609-S611 PolarHBondContact O-N 3.33Å; S611-K615 VanDerWaalsContact O-CB 3.31Å; S611-K615 WeakPolarHBondContact O-CB 3.13Å; S611-K615 VanDerWaalsContact O-CD 3.3Å; S611-K615 WeakPolarHBondContact O-CD 3.44Å; S611-K615 WeakPolarHBondContact O-CG 3.48Å; S611-K615 PolarHBondContact O-N 2.84Å; S611-K615 WeakPolarHBondContact OG-CE 3.47Å; S611-K615 PolarHBondContact OG-NZ 3.45Å |
| 612 | V | 85.3 | Confident | 80.2 | Confident | 73 Ų | 73 | 93.1 Ų | 93.1 | 44% | 0.442 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70 | -46 | 177.4 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | Q608 V609 G614 K615 I616 | Q608-V612 WeakPolarHBondContact O-CB 3.35Å; Q608-V612 VanDerWaalsContact O-CG2 3.29Å; Q608-V612 WeakPolarHBondContact O-CG2 3.42Å; Q608-V612 PolarHBondContact O-N 3.22Å; V609-V612 PolarHBondContact O-N 3Å; V612-G614 VanDerWaalsContact C-N 3.34Å; V612-G614 PolarHBondContact O-N 3.42Å; V612-K615 PolarHBondContact O-N 3.03Å; V612-I616 HydrophobicContact CG1-CD1 3.66Å; V612-I616 HydrophobicContact CG1-CG1 4.41Å; V612-I616 WeakPolarHBondContact O-CB 3.29Å; V612-I616 WeakPolarHBondContact O-CG1 3.46Å; V612-I616 PolarHBondContact O-N 2.93Å |
| 613 | V | 84.4 | Confident | 78.5 | Confident | 75 Ų | 75 | 95.2 Ų | 95.2 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 172.4 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | V609 I616 Q617 | V609-V613 HydrophobicContact CG1-CG2 4.19Å; V609-V613 VanDerWaalsContact O-CB 3.28Å; V609-V613 WeakPolarHBondContact O-CB 3.45Å; V609-V613 VanDerWaalsContact O-CG2 3.24Å; V609-V613 WeakPolarHBondContact O-CG2 3.26Å; V609-V613 PolarHBondContact O-N 2.89Å; V613-I616 PolarHBondContact O-N 3.3Å; V613-Q617 WeakPolarHBondContact O-CB 3.38Å; V613-Q617 PolarHBondContact O-N 3.32Å |
| 614 | G | 84.3 | Confident | 76.8 | Confident | 30 Ų | 30 | 104.1 Ų | 104.1 | 31% | 0.309 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.5 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N610 V612 Q617 A618 | N610-G614 PolarHBondContact O-N 3.44Å; V612-G614 VanDerWaalsContact C-N 3.34Å; V612-G614 PolarHBondContact O-N 3.42Å; G614-Q617 PolarHBondContact O-N 2.61Å; G614-A618 VanDerWaalsContact O-CB 3.26Å; G614-A618 WeakPolarHBondContact O-CB 3.36Å; G614-A618 PolarHBondContact O-N 3.5Å |
| 615 | K | 84.6 | Confident | 74.8 | Confident | 120 Ų | 120 | 111.1 Ų | 111.1 | 52% | 0.522 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.8 | -35.5 | 173.7 | -75.3 | 160.3 | -178.6 | 153.7 | 0 | 112.4 | S611 V612 K619 | S611-K615 VanDerWaalsContact O-CB 3.31Å; S611-K615 WeakPolarHBondContact O-CB 3.13Å; S611-K615 VanDerWaalsContact O-CD 3.3Å; S611-K615 WeakPolarHBondContact O-CD 3.44Å; S611-K615 WeakPolarHBondContact O-CG 3.48Å; S611-K615 PolarHBondContact O-N 2.84Å; S611-K615 WeakPolarHBondContact OG-CE 3.47Å; S611-K615 PolarHBondContact OG-NZ 3.45Å; V612-K615 PolarHBondContact O-N 3.03Å; K615-K619 WeakPolarHBondContact O-CB 3.32Å; K615-K619 VanDerWaalsContact O-CG 3.28Å; K615-K619 WeakPolarHBondContact O-CG 3.17Å; K615-K619 PolarHBondContact O-N 3.26Å; K615-K619 VanDerWaalsContact O-N 3.13Å |
| 616 | I | 81.9 | Confident | 72.7 | Confident | 86 Ų | 86 | 114.8 Ų | 114.8 | 44% | 0.441 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.5 | -45.4 | 174.8 | -71.4 | 166.4 | 0 | 0 | 0 | 109.9 | V612 V613 A618 K619 I620 | V612-I616 HydrophobicContact CG1-CD1 3.66Å; V612-I616 HydrophobicContact CG1-CG1 4.41Å; V612-I616 WeakPolarHBondContact O-CB 3.29Å; V612-I616 WeakPolarHBondContact O-CG1 3.46Å; V612-I616 PolarHBondContact O-N 2.93Å; V613-I616 PolarHBondContact O-N 3.3Å; I616-A618 VanDerWaalsContact C-N 3.34Å; I616-A618 PolarHBondContact O-N 2.92Å; I616-K619 CarbonylContact O-C 3.53Å; I616-K619 VanDerWaalsContact O-C 3.28Å; I616-K619 WeakPolarHBondContact O-CA 3.34Å; I616-K619 PolarHBondContact O-N 2.74Å; I616-I620 HydrophobicContact CG2-CD1 3.58Å; I616-I620 HydrophobicContact CG2-CG1 4.28Å; I616-I620 WeakPolarHBondContact O-CG1 3.25Å; I616-I620 PolarHBondContact O-N 3.33Å |
| 617 | Q | 74.6 | Confident | 70.6 | Confident | 143 Ų | 143 | 117.5 Ų | 117.5 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.9 | -36.9 | 178.6 | -168 | 173.3 | 23.8 | 0 | 0 | 111.8 | V613 G614 K619 I620 | V613-Q617 WeakPolarHBondContact O-CB 3.38Å; V613-Q617 PolarHBondContact O-N 3.32Å; G614-Q617 PolarHBondContact O-N 2.61Å; Q617-K619 VanDerWaalsContact C-N 3.28Å; Q617-K619 PolarHBondContact O-N 3.11Å; Q617-I620 PolarHBondContact O-N 3.39Å |
| 618 | A | 75.2 | Confident | 68 | Low | 81 Ų | 81 | 125 Ų | 125 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.8 | -24.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G614 I616 | G614-A618 VanDerWaalsContact O-CB 3.26Å; G614-A618 WeakPolarHBondContact O-CB 3.36Å; G614-A618 PolarHBondContact O-N 3.5Å; I616-A618 VanDerWaalsContact C-N 3.34Å; I616-A618 PolarHBondContact O-N 2.92Å |
| 619 | K | 70.4 | Confident | 67 | Low | 178 Ų | 178 | 125.2 Ų | 125.2 | 77% | 0.774 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -93.9 | -2.7 | 174 | -75.6 | -175.4 | 173.2 | -166 | 0 | 114.3 | K615 I616 Q617 P621 | K615-K619 WeakPolarHBondContact O-CB 3.32Å; K615-K619 VanDerWaalsContact O-CG 3.28Å; K615-K619 WeakPolarHBondContact O-CG 3.17Å; K615-K619 PolarHBondContact O-N 3.26Å; K615-K619 VanDerWaalsContact O-N 3.13Å; I616-K619 CarbonylContact O-C 3.53Å; I616-K619 VanDerWaalsContact O-C 3.28Å; I616-K619 WeakPolarHBondContact O-CA 3.34Å; I616-K619 PolarHBondContact O-N 2.74Å; Q617-K619 VanDerWaalsContact C-N 3.28Å; Q617-K619 PolarHBondContact O-N 3.11Å; K619-P621 VanDerWaalsContact O-CD 3.24Å; K619-P621 WeakPolarHBondContact O-CD 3.35Å |
| 620 | I | 63.5 | Low | 65.9 | Low | 113 Ų | 113 | 127.8 Ų | 127.8 | 58% | 0.579 | 67% | 0.673 | S | S | * | * | trans | -116.4 | 71.8 | 171.5 | -57.2 | 172.7 | 0 | 0 | 0 | 108.8 | I616 Q617 G622 | I616-I620 HydrophobicContact CG2-CD1 3.58Å; I616-I620 HydrophobicContact CG2-CG1 4.28Å; I616-I620 WeakPolarHBondContact O-CG1 3.25Å; I616-I620 PolarHBondContact O-N 3.33Å; Q617-I620 PolarHBondContact O-N 3.39Å; I620-G622 VanDerWaalsContact C-N 3.28Å; I620-G622 PolarHBondContact O-N 3.12Å | ||
| 621 | P | 53.9 | Low | 64.7 | Low | 126 Ų | 126 | 128.6 Ų | 128.6 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | -75.3 | 76.1 | 175.9 | 33.4 | -36.6 | 0 | 0 | 0 | 110.7 | K619 | K619-P621 VanDerWaalsContact O-CD 3.24Å; K619-P621 WeakPolarHBondContact O-CD 3.35Å | ||
| 622 | G | 55.3 | Low | 63.3 | Low | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | -154.1 | 7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | I620 | I620-G622 VanDerWaalsContact C-N 3.28Å; I620-G622 PolarHBondContact O-N 3.12Å | ||
| 623 | A | 47.2 | Very low | 62 | Low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 72% | 0.715 | S | S | * | * | trans | -144.8 | 44.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R625 | A623-R625 VanDerWaalsContact C-N 3.33Å; A623-R625 PolarHBondContact O-N 3.03Å | ||
| 624 | K | 47.4 | Very low | 60.5 | Low | 210 Ų | 210 | 141.6 Ų | 141.6 | 91% | 0.913 | 73% | 0.732 | S | S | * | * | trans | -68.8 | 90.6 | 162.7 | -72.4 | -172.3 | 178.5 | -176.1 | 0 | 109.4 | K626 | K624-K626 PolarHBondContact O-N 2.64Š| ||
| 625 | R | 43.7 | Very low | 58.8 | Low | 242 Ų | 242 | 149.6 Ų | 149.6 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65 | 127 | 155.8 | -83.8 | -172.1 | 173 | 165.3 | -0.3 | 107.3 | A623 | A623-R625 VanDerWaalsContact C-N 3.33Å; A623-R625 PolarHBondContact O-N 3.03Å |
| 626 | K | 45.9 | Very low | 56.8 | Low | 184 Ų | 184 | 151.8 Ų | 151.8 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 147 | 174.4 | -64.4 | -179.3 | 175.5 | -174.8 | 0 | 109.5 | K624 | K624-K626 PolarHBondContact O-N 2.64Š|
| 627 | E | 42.9 | Very low | 54.7 | Low | 200 Ų | 200 | 157.3 Ų | 157.3 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 121.9 | 151.4 | -64.4 | 170.4 | 125.9 | 0 | 0 | 107.2 | ||
| 628 | E | 36.2 | Very low | 52.9 | Low | 249 Ų | 249 | 158.6 Ų | 158.6 | 100% | 1.164 | 82% | 0.822 | S | S | * | * | trans | -158.5 | 0 | 158.3 | -162.3 | 165.5 | -171 | 0 | 0 | 108.3 |
Retrieved 628 of 628 residues in 777.2 ms
(Link to these results)