| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.8 | Very low | 36.9 | Very low | 225 Ų | 225 | 158.4 Ų | 158.4 | 100% | 1.108 | 84% | 0.835 | S | S | * | * | 0 | 115.9 | 0 | -68.9 | 162.1 | 176.1 | 0 | 0 | 106.3 | |||||
| 2 | Q | 33.2 | Very low | 36.8 | Very low | 174 Ų | 174 | 159.3 Ų | 159.3 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | 56.6 | 140 | 90.3 | -76.8 | 176.1 | -38.3 | 0 | 0 | 113.3 | |||||
| 3 | R | 34.2 | Very low | 36.3 | Very low | 219 Ų | 219 | 155.1 Ų | 155.1 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | cis | -166.7 | 159.7 | -21.9 | -154.9 | -177.5 | -145.6 | -178 | 6.8 | 105.9 | ||||
| 4 | R | 40.7 | Very low | 35.8 | Very low | 210 Ų | 210 | 152.9 Ų | 152.9 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | trans | -18 | 155.8 | 166.5 | -57.4 | 174.5 | 177.2 | -177 | -3.3 | 117.6 | ||||
| 5 | H | 43.3 | Very low | 35.5 | Very low | 183 Ų | 183 | 152.3 Ų | 152.3 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | -164.5 | 142 | 106.2 | -100.8 | -72.5 | 0 | 0 | 0 | 113.5 | |||||
| 6 | S | 40.1 | Very low | 35.4 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -111 | 157.4 | 172.3 | -35.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | S | 38.2 | Very low | 35 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -150.1 | 126 | 158.7 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 8 | N | 34.6 | Very low | 34.9 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -77.7 | 169.2 | 158 | -85.6 | 3.9 | 0 | 0 | 0 | 110.1 | ||||
| 9 | T | 39.3 | Very low | 34.7 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -129.7 | 129.5 | 145.1 | 47.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | D | 35.1 | Very low | 34.6 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -92.7 | 165.9 | -175.5 | -64.3 | -67.9 | 0 | 0 | 0 | 113.3 | ||||
| 11 | G | 32.1 | Very low | 34.4 | Very low | 79 Ų | 79 | 152.4 Ų | 152.4 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | -170.6 | 68.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 12 | M | 34.9 | Very low | 34.2 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 84% | 0.837 | 79% | 0.793 | S | S | * | * | trans | -56.8 | 173.1 | 165.8 | -89.6 | 119.3 | 63.3 | 0 | 0 | 113.4 | ||||
| 13 | S | 30.3 | Very low | 34 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | 173.3 | 159.9 | -27.7 | 63.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 14 | S | 29.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -136.5 | 137.3 | 160.4 | -167.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 15 | E | 32.1 | Very low | 33.3 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 67% | 0.673 | 78% | 0.784 | S | S | * | * | trans | -66.8 | 173.2 | 177.6 | -77.7 | -171 | 107.1 | 0 | 0 | 114.1 | ||||
| 16 | R | 33.3 | Very low | 32.5 | Very low | 181 Ų | 181 | 134 Ų | 134 | 68% | 0.683 | 78% | 0.78 | S | S | * | * | cis | 172.8 | 155.6 | -18.2 | 177.7 | -175.6 | -145 | 153.2 | 0.2 | 107.7 | ||||
| 17 | T | 29.1 | Very low | 31.9 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | 149.7 | 101 | 153.7 | -71 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 18 | R | 33.4 | Very low | 31.5 | Very low | 193 Ų | 193 | 135 Ų | 135 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | 61.9 | 118.4 | 56.8 | -149 | 176 | -179.2 | 170.8 | 3.9 | 111.2 | |||||
| 19 | S | 30 | Very low | 31.3 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | -158.3 | 163.2 | 62.1 | -62.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 20 | Q | 33.8 | Very low | 31 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | -110.4 | 157.2 | 174.3 | -53.4 | 158.3 | -46.9 | 0 | 0 | 110.3 | ||||
| 21 | T | 29.5 | Very low | 30.7 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -172.2 | 127.3 | 143.3 | 37 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 22 | L | 32.4 | Very low | 30.6 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | cis | 85.3 | 118.7 | 38.9 | -94.2 | 170.7 | 0 | 0 | 0 | 117 | ||||
| 23 | G | 28.4 | Very low | 30.3 | Very low | 67 Ų | 67 | 131.6 Ų | 131.6 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | 82.7 | 158.7 | 165 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 24 | S | 29.3 | Very low | 30.3 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | cis | -170.6 | 148.7 | -22.3 | -98.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 25 | E | 29.8 | Very low | 30.4 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 59.7 | 127.5 | 145.2 | -62.9 | 167.6 | 131.1 | 0 | 0 | 124 | ||||
| 26 | S | 27.9 | Very low | 30.2 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 85 | 130.1 | 136.5 | 69.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 27 | S | 26.9 | Very low | 30 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | 67.1 | 120.1 | 135.2 | 61 | 0 | 0 | 0 | 0 | 125 | ||||
| 28 | L | 30.3 | Very low | 29.9 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 73.4 | 117 | 128.3 | -62.2 | 170.4 | 0 | 0 | 0 | 122.8 | |||||
| 29 | D | 29.3 | Very low | 29.9 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | 83.9 | 143.6 | 125 | -71 | -10 | 0 | 0 | 0 | 126.2 | |||||
| 30 | E | 33.7 | Very low | 29.6 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 90.4 | 122.7 | 148.7 | -73.7 | -99 | 82.9 | 0 | 0 | 123.5 | ||||
| 31 | G | 29.3 | Very low | 29.3 | Very low | 81 Ų | 81 | 130 Ų | 130 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 71.6 | 125.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 32 | G | 29.2 | Very low | 29 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | 148.1 | 169.2 | 23.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 33 | V | 29.6 | Very low | 28.6 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | cis | -157.6 | 166.6 | 9.4 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 34 | F | 28.6 | Very low | 28.6 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | 95.7 | 97.1 | 172.2 | -73.6 | -81.8 | 0 | 0 | 0 | 116.2 | ||||
| 35 | D | 31.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | 69.2 | 135.9 | 62.3 | -73.7 | -59.4 | 0 | 0 | 0 | 114 | |||||
| 36 | C | 28.8 | Very low | 28.3 | Very low | 104 Ų | 104 | 131 Ų | 131 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | cis | -152.2 | -165.9 | -0.6 | -134.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 37 | L | 28.9 | Very low | 28.3 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | cis | -155.4 | 148.7 | 9.7 | -136 | -173.5 | 0 | 0 | 0 | 109.2 | ||||
| 38 | K | 27.3 | Very low | 28.3 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | -148 | 145.5 | 160.8 | 179.1 | -176.4 | 177 | -174 | 0 | 108 | ||||
| 39 | P | 32.6 | Very low | 28.2 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -100.6 | 147.6 | 165.7 | 30.7 | -21.9 | 0 | 0 | 0 | 113.4 | ||||
| 40 | D | 25.2 | Very low | 28.2 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -79.6 | -178.4 | -157.7 | -69 | -63.3 | 0 | 0 | 0 | 119.6 | ||||
| 41 | S | 25.8 | Very low | 27.9 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -77.7 | 166.6 | 172.4 | 57.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 42 | S | 23.4 | Very low | 28 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | 176.1 | 164.6 | 113.9 | 48.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 43 | T | 25.2 | Very low | 28 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -27 | 149.4 | 178.5 | 28.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 44 | S | 26.8 | Very low | 28.1 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -12.4 | 156.4 | 158.8 | 60.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 45 | P | 27.7 | Very low | 28.1 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | -130.9 | 170.6 | 127.1 | 35.5 | -23.5 | 0 | 0 | 0 | 115.3 | |||||
| 46 | Q | 25.3 | Very low | 28.7 | Very low | 199 Ų | 199 | 135.7 Ų | 135.7 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | -83.6 | 177.4 | -173.3 | -67 | 173.3 | -55.3 | 0 | 0 | 114.7 | ||||
| 47 | Q | 29.5 | Very low | 28.6 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -66 | 157.8 | -176.9 | -56.6 | 172.4 | -57.5 | 0 | 0 | 114.8 | ||||
| 48 | M | 26.6 | Very low | 28.6 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 98% | 0.975 | 79% | 0.788 | S | S | * | * | trans | -122.4 | 148.2 | 149.4 | -78.5 | -159.2 | -82.7 | 0 | 0 | 110.8 | ||||
| 49 | F | 28.4 | Very low | 28.6 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 77% | 0.768 | 79% | 0.787 | S | S | * | * | trans | -107.1 | 150.1 | -163.5 | -116.7 | -97.3 | 0 | 0 | 0 | 112.5 | ||||
| 50 | S | 28.7 | Very low | 28.5 | Very low | 123 Ų | 123 | 131 Ų | 131 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | 167.4 | 137.3 | 124.1 | -76.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 51 | G | 27.6 | Very low | 28.6 | Very low | 54 Ų | 54 | 128.7 Ų | 128.7 | 56% | 0.557 | 79% | 0.786 | S | S | * | * | cis | 178.1 | 177 | -5.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 52 | L | 31.6 | Very low | 28.6 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | 59.3 | 141.5 | 161.7 | -74.6 | 91.8 | 0 | 0 | 0 | 119.9 | ||||
| 53 | V | 29.6 | Very low | 28.9 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | cis | -164 | 149.3 | -17.6 | 113.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 54 | G | 30.3 | Very low | 29 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 142.1 | 111.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 55 | I | 29.6 | Very low | 29 | Very low | 165 Ų | 165 | 135 Ų | 135 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -147.1 | 161.4 | -173.5 | -75.4 | 177.8 | 0 | 0 | 0 | 106.7 | ||||
| 56 | P | 43 | Very low | 29 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | cis | -121.4 | -165.2 | -1.8 | 28.7 | -3.7 | 0 | 0 | 0 | 112.2 | ||||
| 57 | S | 28.1 | Very low | 29.2 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | cis | -159.2 | 144 | 18.4 | -26.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 58 | S | 27.9 | Very low | 29.2 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | 36.6 | 139.2 | 141.3 | 57 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 59 | S | 27.9 | Very low | 29.2 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | cis | -177.5 | 172.6 | 4.8 | 42.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 60 | V | 29.7 | Very low | 29.1 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 110.9 | 109 | 153.7 | -172.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 61 | S | 26.9 | Very low | 29.1 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 54.7 | 137.9 | 143.9 | -150.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 62 | S | 26 | Very low | 29.1 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -68.2 | 147.3 | 169.5 | 44.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 63 | A | 29.8 | Very low | 28.8 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -127.5 | 133.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 64 | Q | 28.3 | Very low | 28.6 | Very low | 188 Ų | 188 | 124.7 Ų | 124.7 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -74.6 | 145.8 | 169.6 | -65.6 | 146.3 | -67.8 | 0 | 0 | 109.6 | ||||
| 65 | L | 26.5 | Very low | 29 | Very low | 180 Ų | 180 | 127.2 Ų | 127.2 | 94% | 0.942 | 81% | 0.811 | S | S | * | * | trans | -106.8 | 100.2 | 173.8 | -147.8 | 75.4 | 0 | 0 | 0 | 110.9 | ||||
| 66 | Q | 28.1 | Very low | 29.3 | Very low | 187 Ų | 187 | 125 Ų | 125 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -99.2 | 160.5 | 163.7 | -85.5 | -178.6 | -49.2 | 0 | 0 | 110.5 | ||||
| 67 | A | 28.6 | Very low | 28.4 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | trans | -85.2 | 142 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 68 | A | 30 | Very low | 28.4 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -148.4 | 150.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 69 | G | 27.2 | Very low | 28.2 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | cis | 98.5 | 91.2 | 23.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 70 | L | 26.5 | Very low | 28.2 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | trans | -138 | 130.4 | -177.3 | -107.1 | 168 | 0 | 0 | 0 | 112.5 | ||||
| 71 | V | 27.4 | Very low | 27.9 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | -118.4 | 137.9 | 176.9 | 166.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 72 | L | 28 | Very low | 27.9 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 94% | 0.937 | 82% | 0.816 | S | S | * | * | trans | -100.3 | 142 | 162.6 | -73 | 146.3 | 0 | 0 | 0 | 107.2 | ||||
| 73 | G | 25.7 | Very low | 27.9 | Very low | 64 Ų | 64 | 140.1 Ų | 140.1 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | cis | 159 | 135.2 | -1.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 74 | S | 24.8 | Very low | 27.7 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -152.1 | 139.2 | 172.3 | -71 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 75 | P | 38.2 | Very low | 27.5 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -85.1 | 169.1 | -169.4 | 34.6 | -36 | 0 | 0 | 0 | 114 | ||||
| 76 | P | 36 | Very low | 27.5 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -109.7 | -177.7 | -157.6 | 42.8 | -35.6 | 0 | 0 | 0 | 114.3 | ||||
| 77 | E | 25.1 | Very low | 27.5 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | 155.6 | 148.9 | 137.9 | -84.2 | -170.8 | 166 | 0 | 0 | 108.8 | ||||
| 78 | V | 27.4 | Very low | 27.5 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | cis | -156.2 | 147.5 | -19.4 | 139.5 | 0 | 0 | 0 | 0 | 104.9 | I80 | V78-I80 HydrophobicContact CG1-CG1 4.29Š| ||
| 79 | F | 23.2 | Very low | 27.5 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -122 | 125.7 | 174.7 | -145.7 | -85.4 | 0 | 0 | 0 | 110.1 | ||||
| 80 | I | 28.7 | Very low | 27.5 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -132.7 | 150 | 168.9 | -65.2 | -174.9 | 0 | 0 | 0 | 108.9 | V78 | V78-I80 HydrophobicContact CG1-CG1 4.29Š| ||
| 81 | Q | 23.7 | Very low | 27.6 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | trans | -120.7 | 141.2 | -149.4 | 176.2 | 178.5 | -48.1 | 0 | 0 | 113.4 | ||||
| 82 | M | 25.9 | Very low | 27.7 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | 43.9 | 135.8 | 158.1 | -69.5 | -163.6 | -80.9 | 0 | 0 | 121.9 | ||||
| 83 | T | 26 | Very low | 27.8 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 93% | 0.933 | 77% | 0.77 | S | S | * | * | -165.9 | 169.3 | 118.6 | 15.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 84 | A | 26 | Very low | 27.9 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -127.5 | 161.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 85 | S | 23.8 | Very low | 28 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 132.7 | 147.6 | 148.1 | -168.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 86 | S | 26.8 | Very low | 27.5 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 68.5 | 144.7 | 163.1 | 53.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 87 | R | 27.5 | Very low | 27.2 | Very low | 196 Ų | 196 | 141 Ų | 141 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | cis | -175 | 150 | -11.3 | 167.2 | 179.5 | 111.7 | 155.1 | 25.8 | 110.5 | ||||
| 88 | E | 29.5 | Very low | 27.3 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | trans | 64.6 | 152.5 | 162.9 | -75.3 | 153.8 | -161.8 | 0 | 0 | 118.7 | ||||
| 89 | E | 29.6 | Very low | 28.5 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | cis | -156.6 | 168.8 | 5.8 | -138.2 | 178.4 | 145.5 | 0 | 0 | 114.2 | ||||
| 90 | A | 27.3 | Very low | 28.8 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | 60.8 | 110.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 91 | A | 28.6 | Very low | 29.1 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | 80.4 | 138.6 | 78.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 92 | S | 29.1 | Very low | 29.3 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | cis | -169.1 | 174.7 | 6.9 | 40.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 93 | H | 31.6 | Very low | 29.3 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | 87.2 | 97.3 | 161.3 | -58.9 | -69.2 | 0 | 0 | 0 | 123.1 | ||||
| 94 | R | 26.9 | Very low | 30.6 | Very low | 242 Ų | 242 | 135.9 Ų | 135.9 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | -6.1 | 156.3 | 119.9 | -106 | -171.8 | 159.8 | 118.8 | -7.6 | 117.7 | |||||
| 95 | A | 27.2 | Very low | 32.3 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 58% | 0.579 | 77% | 0.771 | S | S | * | * | cis | -166.7 | 168.3 | 1.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 96 | E | 28.2 | Very low | 33.8 | Very low | 198 Ų | 198 | 135.6 Ų | 135.6 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | trans | 62.3 | 145.3 | 154.5 | -65.9 | 176.2 | 177 | 0 | 0 | 119.6 | ||||
| 97 | G | 28.8 | Very low | 34.1 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | cis | -166.8 | 175.6 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 98 | G | 28.1 | Very low | 34.4 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -109.8 | -150.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 99 | P | 51.3 | Low | 34.5 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -138.8 | -168.6 | -25.5 | 24.3 | 1.1 | 0 | 0 | 0 | 114 | ||||
| 100 | F | 30.4 | Very low | 34.6 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 108.2 | 103.5 | 157.4 | -70.3 | -77.9 | 0 | 0 | 0 | 123.1 | ||||
| 101 | L | 35 | Very low | 34.7 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 31.5 | 129.4 | 130.2 | -77.7 | 167.8 | 0 | 0 | 0 | 124.1 | ||||
| 102 | S | 26.9 | Very low | 34.9 | Very low | 131 Ų | 131 | 148 Ų | 148 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | 178.8 | 175.4 | 114 | 39.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 103 | R | 27.4 | Very low | 35.1 | Very low | 234 Ų | 234 | 152.3 Ų | 152.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -137.1 | -175.8 | -163.5 | -157.1 | -156.8 | 167 | 168.4 | -3 | 111.2 | ||||
| 104 | P | 53.3 | Low | 35.1 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | -100.1 | -140.6 | -102.9 | 45.3 | -27.1 | 0 | 0 | 0 | 112.9 | |||||
| 105 | P | 60.2 | Low | 35.2 | Very low | 112 Ų | 112 | 149 Ų | 149 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -119.1 | -128.3 | -32.4 | 39.8 | -20.4 | 0 | 0 | 0 | 109.8 | ||||
| 106 | P | 56.5 | Low | 35.3 | Very low | 93 Ų | 93 | 153.4 Ų | 153.4 | 60% | 0.604 | 79% | 0.793 | S | S | * | * | cis | -125 | -174.6 | -44.8 | 40.4 | -24.6 | 0 | 0 | 0 | 114.1 | ||||
| 107 | H | 32.9 | Very low | 35.5 | Very low | 188 Ų | 188 | 152.9 Ų | 152.9 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | 173.2 | 153.2 | 124.7 | -91.7 | -63.3 | 0 | 0 | 0 | 114.6 | |||||
| 108 | H | 32.5 | Very low | 35.7 | Very low | 181 Ų | 181 | 157.2 Ų | 157.2 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -111.3 | 162.7 | -177.7 | -86.5 | -72.3 | 0 | 0 | 0 | 112.7 | ||||
| 109 | H | 32.1 | Very low | 36.1 | Very low | 199 Ų | 199 | 159.4 Ų | 159.4 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -155.2 | 161.5 | 143 | -109.7 | 41.4 | 0 | 0 | 0 | 114.1 | ||||
| 110 | H | 31.7 | Very low | 35.1 | Very low | 166 Ų | 166 | 161.2 Ų | 161.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -117.2 | 161.9 | -169.2 | -101.9 | -64.2 | 0 | 0 | 0 | 112.8 | ||||
| 111 | H | 30.4 | Very low | 35.1 | Very low | 183 Ų | 183 | 162 Ų | 162 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | -170.8 | 170.7 | 126.3 | -105.8 | -65.2 | 0 | 0 | 0 | 114.6 | |||||
| 112 | H | 32.2 | Very low | 34.7 | Very low | 142 Ų | 142 | 162.6 Ų | 162.6 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | trans | -109 | 166.1 | -166.8 | -80.4 | -105.9 | 0 | 0 | 0 | 114.3 | ||||
| 113 | H | 33.1 | Very low | 34.7 | Very low | 184 Ų | 184 | 168.1 Ų | 168.1 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | -177.3 | 169.2 | 115 | -98.1 | -69.5 | 0 | 0 | 0 | 114.9 | |||||
| 114 | H | 32.8 | Very low | 34.7 | Very low | 150 Ų | 150 | 162.9 Ų | 162.9 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | trans | -97.5 | 160 | -165.1 | -74.9 | -111.3 | 0 | 0 | 0 | 115.4 | ||||
| 115 | F | 27.4 | Very low | 33.4 | Very low | 197 Ų | 197 | 163.4 Ų | 163.4 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | 179.4 | 165.7 | 103.2 | -112.1 | -87.8 | 0 | 0 | 0 | 115.9 | |||||
| 116 | H | 31.1 | Very low | 31.8 | Very low | 163 Ų | 163 | 162.7 Ų | 162.7 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -75.7 | 155.1 | -176.3 | -90.2 | -99.3 | 0 | 0 | 0 | 115.9 | ||||
| 117 | H | 31.7 | Very low | 30.6 | Very low | 187 Ų | 187 | 165.9 Ų | 165.9 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | -178.3 | 154.7 | 113.7 | -108.3 | -82.8 | 0 | 0 | 0 | 114.6 | |||||
| 118 | Q | 31.9 | Very low | 30.3 | Very low | 168 Ų | 168 | 164 Ų | 164 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -120.4 | 151.9 | 164.1 | -151.1 | -176 | 10.1 | 0 | 0 | 107.2 | ||||
| 119 | P | 38 | Very low | 30.2 | Very low | 119 Ų | 119 | 162 Ų | 162 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | -154.1 | -173.5 | 98.8 | 39.5 | -19.3 | 0 | 0 | 0 | 116 | |||||
| 120 | L | 30.2 | Very low | 30 | Very low | 150 Ų | 150 | 160.5 Ų | 160.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -67.4 | 162.2 | -179 | -60.8 | 82.2 | 0 | 0 | 0 | 115.1 | ||||
| 121 | Q | 29.5 | Very low | 29.8 | Very low | 198 Ų | 198 | 156.1 Ų | 156.1 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | -159.7 | 148.9 | 129.8 | -112.8 | 168.8 | 25.7 | 0 | 0 | 115.4 | |||||
| 122 | H | 27.5 | Very low | 29.7 | Very low | 171 Ų | 171 | 153.3 Ų | 153.3 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -70.9 | 152.6 | 173.8 | -81.8 | -97.7 | 0 | 0 | 0 | 113.1 | ||||
| 123 | R | 27 | Very low | 29.4 | Very low | 247 Ų | 247 | 153.2 Ų | 153.2 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | -163.4 | 135 | 123.3 | -113.9 | 173.5 | -176.8 | -178.1 | 1.1 | 114.6 | |||||
| 124 | T | 26.8 | Very low | 29.1 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -107.8 | 135 | 171 | 47.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 125 | S | 26.8 | Very low | 28.8 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | 161.2 | 140.4 | 158.7 | 51.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 126 | S | 26.8 | Very low | 28.8 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | cis | 162.4 | 172.8 | -4.6 | 48.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 127 | L | 29.7 | Very low | 28.6 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 81.2 | 118.1 | 177.8 | -55.7 | 157.1 | 0 | 0 | 0 | 113.6 | ||||
| 128 | L | 27.7 | Very low | 28.4 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | cis | 80.8 | 95.4 | 27.2 | -142.7 | 130.8 | 0 | 0 | 0 | 114 | ||||
| 129 | Q | 29.9 | Very low | 28.2 | Very low | 138 Ų | 138 | 144 Ų | 144 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | trans | 174.1 | 125.6 | 141.3 | -124.4 | 47.4 | 43.1 | 0 | 0 | 106.3 | ||||
| 130 | Q | 28.8 | Very low | 27.6 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 53.3 | 134.4 | 85.4 | -100.5 | -178.8 | -12.3 | 0 | 0 | 113.7 | |||||
| 131 | A | 26.4 | Very low | 27.3 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | cis | -161.8 | 158.3 | 4.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 132 | T | 27.6 | Very low | 27.1 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 31.8 | 142.7 | 139.8 | 61.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 133 | T | 25.9 | Very low | 27.1 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | 95.3 | 149.6 | 150 | 67.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 134 | A | 27.2 | Very low | 27.2 | Very low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 83.1 | 88 | 157.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 135 | A | 27.1 | Very low | 27.4 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | 17.8 | 133.6 | 125.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 136 | S | 26.9 | Very low | 27.4 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 53.2 | 109.6 | 140.6 | 62.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 137 | S | 27 | Very low | 27.4 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -154.1 | 127.1 | 135.9 | -85.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 138 | E | 28.7 | Very low | 27.3 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -83.2 | 134 | 169.3 | -60.8 | 171 | 116.7 | 0 | 0 | 110.3 | ||||
| 139 | R | 27 | Very low | 27.3 | Very low | 248 Ų | 248 | 144.3 Ų | 144.3 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | -166.2 | 147.9 | 136 | -116.7 | 169.3 | -93.8 | -156.2 | -5 | 113.3 | ||||
| 140 | H | 25 | Very low | 27.4 | Very low | 192 Ų | 192 | 147 Ų | 147 | 89% | 0.889 | 81% | 0.807 | S | S | * | * | trans | -51.8 | 146.3 | -178.1 | -78.6 | -59 | 0 | 0 | 0 | 115.9 | ||||
| 141 | S | 23.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -160.9 | 144 | 121.8 | -166 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 142 | S | 26.1 | Very low | 28.4 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | trans | 39.9 | 100.5 | 150.7 | 53.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 143 | R | 28.5 | Very low | 29.1 | Very low | 216 Ų | 216 | 145 Ų | 145 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | 11.1 | 111.1 | 119.1 | 176.7 | -178.5 | 168.4 | 166.3 | -1.2 | 116.9 | E145 | R143-E145 IonicContact NH2-OE2 2.68Š| |||
| 144 | E | 28.2 | Very low | 30 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | trans | -133.7 | 138.7 | 144.4 | -73.4 | -167.8 | 126.8 | 0 | 0 | 108.9 | ||||
| 145 | E | 31.6 | Very low | 31.3 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -85.4 | 121.1 | 179.1 | -71.7 | 164.2 | 96.6 | 0 | 0 | 109.1 | R143 | R143-E145 IonicContact NH2-OE2 2.68Š| ||
| 146 | G | 26.5 | Very low | 32.7 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -133.7 | 102.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D148 | G146-D148 PolarHBondContact O-N 3.2Š| ||
| 147 | Q | 26.9 | Very low | 34.3 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -21.9 | 113.3 | 170.8 | -152.6 | 91.5 | 10.2 | 0 | 0 | 115.2 | D149 | Q147-D149 VanDerWaalsContact C-N 3.32Å; Q147-D149 PolarHBondContact O-N 2.79Å | ||
| 148 | D | 26.4 | Very low | 35.9 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | trans | -73.7 | 84.6 | 170.5 | -120.7 | -23.5 | 0 | 0 | 0 | 109.5 | G146 Q150 | G146-D148 PolarHBondContact O-N 3.2Å; D148-Q150 PolarHBondContact O-N 3.42Å | ||
| 149 | D | 27.2 | Very low | 37.6 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | -68.7 | 99.1 | 168.4 | -106 | -28.2 | 0 | 0 | 0 | 108.5 | Q147 S151 | Q147-D149 VanDerWaalsContact C-N 3.32Å; Q147-D149 PolarHBondContact O-N 2.79Å; D149-S151 PolarHBondContact O-N 2.97Å | ||
| 150 | Q | 32.2 | Very low | 39.7 | Very low | 194 Ų | 194 | 127.3 Ų | 127.3 | 91% | 0.907 | 71% | 0.709 | S | S | * | * | trans | -70.5 | 69.7 | 177 | -170 | 156.4 | 43.4 | 0 | 0 | 111.1 | D148 T152 | D148-Q150 PolarHBondContact O-N 3.42Å; Q150-T152 PolarHBondContact O-N 2.91Å | ||
| 151 | S | 33.4 | Very low | 41.7 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 128.1 | 173.5 | 55.5 | 0 | 0 | 0 | 0 | 110 | D149 | D149-S151 PolarHBondContact O-N 2.97Š|
| 152 | T | 42.9 | Very low | 43.7 | Very low | 132 Ų | 132 | 122.3 Ų | 122.3 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 131.4 | 173.8 | 31.2 | 0 | 0 | 0 | 0 | 109 | Q150 A154 | Q150-T152 PolarHBondContact O-N 2.91Å; T152-A154 PolarHBondContact O-N 2.84Å |
| 153 | P | 42.3 | Very low | 45.7 | Very low | 91 Ų | 91 | 121.6 Ų | 121.6 | 59% | 0.591 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 127.4 | -175.8 | 24.1 | -33.2 | 0 | 0 | 0 | 110.1 | L157 | P153-L157 HydrophobicContact CB-CD2 4.37Š|
| 154 | A | 45.2 | Very low | 47.8 | Very low | 62 Ų | 62 | 114.9 Ų | 114.9 | 51% | 0.512 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -52 | 139.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T152 A156 L157 S158 | T152-A154 PolarHBondContact O-N 2.84Å; A154-A156 VanDerWaalsContact C-N 3.28Å; A154-A156 PolarHBondContact O-N 3.32Å; A154-A156 VanDerWaalsContact O-N 3.15Å; A154-L157 WeakPolarHBondContact O-CB 3.27Å; A154-L157 PolarHBondContact O-N 2.89Å; A154-S158 PolarHBondContact O-N 3.16Å |
| 155 | P | 55.7 | Low | 49.7 | Very low | 98 Ų | 98 | 108.6 Ų | 108.6 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -55.7 | -39.3 | -170.4 | 17.4 | -30.5 | 0 | 0 | 0 | 113.4 | L157 S158 E159 | P155-L157 VanDerWaalsContact C-N 3.26Å; P155-L157 PolarHBondContact O-N 3.28Å; P155-S158 PolarHBondContact O-N 3.39Å; P155-S158 PolarHBondContact O-OG 3.23Å; P155-E159 PolarHBondContact O-N 2.87Å; P155-E159 VanDerWaalsContact O-N 3.09Å |
| 156 | A | 55.9 | Low | 51.5 | Low | 72 Ų | 72 | 104.1 Ų | 104.1 | 60% | 0.595 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.7 | -31.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | A154 L160 | A154-A156 VanDerWaalsContact C-N 3.28Å; A154-A156 PolarHBondContact O-N 3.32Å; A154-A156 VanDerWaalsContact O-N 3.15Å; A156-L160 WeakPolarHBondContact O-CB 3.49Å; A156-L160 PolarHBondContact O-N 3.05Å |
| 157 | L | 60 | Low | 53.6 | Low | 87 Ų | 87 | 104.4 Ų | 104.4 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.1 | -31.9 | 177 | -163.9 | 91 | 0 | 0 | 0 | 111.5 | P153 A154 P155 K161 | P153-L157 HydrophobicContact CB-CD2 4.37Å; A154-L157 WeakPolarHBondContact O-CB 3.27Å; A154-L157 PolarHBondContact O-N 2.89Å; P155-L157 VanDerWaalsContact C-N 3.26Å; P155-L157 PolarHBondContact O-N 3.28Å; L157-K161 WeakPolarHBondContact O-CB 3.49Å; L157-K161 WeakPolarHBondContact O-CG 3.3Å; L157-K161 PolarHBondContact O-N 3.35Å |
| 158 | S | 59.9 | Low | 55.8 | Low | 63 Ų | 63 | 102.7 Ų | 102.7 | 44% | 0.441 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.5 | -39.2 | 177.7 | 78.8 | 0 | 0 | 0 | 0 | 111.3 | A154 P155 K161 A162 | A154-S158 PolarHBondContact O-N 3.16Å; P155-S158 PolarHBondContact O-N 3.39Å; P155-S158 PolarHBondContact O-OG 3.23Å; S158-K161 PolarHBondContact O-N 3.36Å; S158-A162 PolarHBondContact O-N 3.17Å |
| 159 | E | 64.8 | Low | 58 | Low | 135 Ų | 135 | 102.1 Ų | 102.1 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.7 | -46.6 | 171.5 | -68.8 | -178.6 | -179 | 0 | 0 | 111.7 | P155 K161 A162 V163 | P155-E159 PolarHBondContact O-N 2.87Å; P155-E159 VanDerWaalsContact O-N 3.09Å; E159-K161 PolarHBondContact O-N 2.84Å; E159-A162 WeakPolarHBondContact O-CB 3.44Å; E159-A162 PolarHBondContact O-N 2.97Å; E159-A162 VanDerWaalsContact O-N 3.1Å; E159-V163 WeakPolarHBondContact O-CG2 3.32Å; E159-V163 PolarHBondContact O-N 3.24Å |
| 160 | L | 71.6 | Confident | 60.3 | Low | 105 Ų | 105 | 95.6 Ų | 95.6 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 175.8 | -177.3 | 62.5 | 0 | 0 | 0 | 111.9 | A156 A162 V163 V164 | A156-L160 WeakPolarHBondContact O-CB 3.49Å; A156-L160 PolarHBondContact O-N 3.05Å; L160-A162 VanDerWaalsContact C-N 3.31Å; L160-A162 PolarHBondContact O-N 3.12Å; L160-V163 PolarHBondContact O-N 3.09Å; L160-V164 HydrophobicContact CD1-CG2 4.32Å; L160-V164 HydrophobicContact CG-CG2 4.46Å; L160-V164 WeakPolarHBondContact O-CB 3.45Å; L160-V164 WeakPolarHBondContact O-CG2 3.46Å; L160-V164 PolarHBondContact O-N 3.49Å |
| 161 | K | 67.6 | Low | 62.5 | Low | 131 Ų | 131 | 92 Ų | 92 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.7 | -37.8 | 174 | -80 | 178.5 | 177.4 | 178.9 | 0 | 112.2 | L157 S158 E159 T165 | L157-K161 WeakPolarHBondContact O-CB 3.49Å; L157-K161 WeakPolarHBondContact O-CG 3.3Å; L157-K161 PolarHBondContact O-N 3.35Å; S158-K161 PolarHBondContact O-N 3.36Å; E159-K161 PolarHBondContact O-N 2.84Å; K161-T165 WeakPolarHBondContact O-CB 3.49Å; K161-T165 PolarHBondContact O-N 3.37Å; K161-T165 PolarHBondContact O-OG1 3.38Å |
| 162 | A | 64.5 | Low | 64.6 | Low | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S158 E159 L160 T165 W166 | S158-A162 PolarHBondContact O-N 3.17Å; E159-A162 WeakPolarHBondContact O-CB 3.44Å; E159-A162 PolarHBondContact O-N 2.97Å; E159-A162 VanDerWaalsContact O-N 3.1Å; L160-A162 VanDerWaalsContact C-N 3.31Å; L160-A162 PolarHBondContact O-N 3.12Å; A162-T165 PolarHBondContact O-N 2.9Å; A162-W166 WeakPolarHBondContact O-CB 3.49Å; A162-W166 PolarHBondContact O-N 3.11Å |
| 163 | V | 67.9 | Low | 66.4 | Low | 81 Ų | 81 | 83.4 Ų | 83.4 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | E159 L160 T165 W166 L167 | E159-V163 WeakPolarHBondContact O-CG2 3.32Å; E159-V163 PolarHBondContact O-N 3.24Å; L160-V163 PolarHBondContact O-N 3.09Å; V163-T165 VanDerWaalsContact C-N 3.35Å; V163-T165 PolarHBondContact O-N 3.48Å; V163-W166 WeakPolarHBondContact O-CB 3.32Å; V163-W166 PolarHBondContact O-N 3.17Å; V163-L167 HydrophobicContact CG1-CD1 4.13Å; V163-L167 WeakPolarHBondContact O-CB 3.4Å; V163-L167 WeakPolarHBondContact O-CG 3.39Å; V163-L167 PolarHBondContact O-N 2.95Å |
| 164 | V | 72.3 | Confident | 68.2 | Low | 76 Ų | 76 | 81.9 Ų | 81.9 | 46% | 0.461 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L160 W166 L167 Q168 | L160-V164 HydrophobicContact CD1-CG2 4.32Å; L160-V164 HydrophobicContact CG-CG2 4.46Å; L160-V164 WeakPolarHBondContact O-CB 3.45Å; L160-V164 WeakPolarHBondContact O-CG2 3.46Å; L160-V164 PolarHBondContact O-N 3.49Å; V164-W166 VanDerWaalsContact C-N 3.35Å; V164-W166 PolarHBondContact O-N 3.35Å; V164-L167 PolarHBondContact O-N 2.92Å; V164-Q168 WeakPolarHBondContact O-CB 3.36Å; V164-Q168 PolarHBondContact O-N 3.3Å |
| 165 | T | 69.7 | Low | 69.8 | Low | 62 Ų | 62 | 82.8 Ų | 82.8 | 38% | 0.38 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 175.8 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | K161 A162 V163 R169 | K161-T165 WeakPolarHBondContact O-CB 3.49Å; K161-T165 PolarHBondContact O-N 3.37Å; K161-T165 PolarHBondContact O-OG1 3.38Å; A162-T165 PolarHBondContact O-N 2.9Å; V163-T165 VanDerWaalsContact C-N 3.35Å; V163-T165 PolarHBondContact O-N 3.48Å; T165-R169 WeakPolarHBondContact O-CG 3.06Å; T165-R169 PolarHBondContact O-N 3.2Å; T165-R169 VanDerWaalsContact O-N 3.12Å |
| 166 | W | 69.3 | Low | 70.9 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 30% | 0.295 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -50 | 172.5 | -178.3 | 97.4 | 0 | 0 | 0 | 110.9 | A162 V163 V164 Q168 R169 G170 H480 I483 | A162-W166 WeakPolarHBondContact O-CB 3.49Å; A162-W166 PolarHBondContact O-N 3.11Å; V163-W166 WeakPolarHBondContact O-CB 3.32Å; V163-W166 PolarHBondContact O-N 3.17Å; V164-W166 VanDerWaalsContact C-N 3.35Å; V164-W166 PolarHBondContact O-N 3.35Å; W166-Q168 VanDerWaalsContact C-N 3.35Å; W166-Q168 PolarHBondContact O-N 3.47Å; W166-R169 PolarHBondContact O-N 2.91Å; W166-G170 PolarHBondContact O-N 3.25Å; W166-H480 AromaticContact CD1-CE1 3.34Å; W166-H480 AromaticContact CD1-ND1 3.58Å; W166-H480 AromaticContact NE1-CE1 3.98Å; W166-I483 HydrophobicContact CZ2-CD1 4.24Å |
| 167 | L | 70 | Confident | 71.8 | Confident | 80 Ų | 80 | 77 Ų | 77 | 42% | 0.419 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 177.1 | -76 | 169.9 | 0 | 0 | 0 | 111.7 | V163 V164 R169 G170 F171 I174 | V163-L167 HydrophobicContact CG1-CD1 4.13Å; V163-L167 WeakPolarHBondContact O-CB 3.4Å; V163-L167 WeakPolarHBondContact O-CG 3.39Å; V163-L167 PolarHBondContact O-N 2.95Å; V164-L167 PolarHBondContact O-N 2.92Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.19Å; L167-G170 CarbonylContact O-C 3.48Å; L167-G170 PolarHBondContact O-N 2.61Å; L167-F171 WeakPolarHBondContact O-CA 3.41Å; L167-F171 WeakPolarHBondContact O-CB 3.31Å; L167-F171 PolarHBondContact O-N 2.96Å; L167-I174 HydrophobicContact CD2-CD1 4.38Å |
| 168 | Q | 72.1 | Confident | 72.6 | Confident | 144 Ų | 144 | 77.2 Ų | 77.2 | 67% | 0.673 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65 | -35.8 | 179.8 | -170 | 178.2 | 3.9 | 0 | 0 | 112.6 | V164 W166 | V164-Q168 WeakPolarHBondContact O-CB 3.36Å; V164-Q168 PolarHBondContact O-N 3.3Å; W166-Q168 VanDerWaalsContact C-N 3.35Å; W166-Q168 PolarHBondContact O-N 3.47Å |
| 169 | R | 73.1 | Confident | 73.4 | Confident | 153 Ų | 153 | 76.2 Ų | 76.2 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -77.5 | -32.9 | 174.3 | -69.9 | -179.5 | 177.4 | -175.5 | -0.3 | 112.9 | T165 W166 L167 Y484 | T165-R169 WeakPolarHBondContact O-CG 3.06Å; T165-R169 PolarHBondContact O-N 3.2Å; T165-R169 VanDerWaalsContact O-N 3.12Å; W166-R169 PolarHBondContact O-N 2.91Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 3.19Å; R169-Y484 VanDerWaalsContact C-OH 3.32Å; R169-Y484 WeakPolarHBondContact CB-OH 3.3Å; R169-Y484 PolarHBondContact O-OH 3.48Å |
| 170 | G | 74.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -77.9 | -22.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W166 L167 F173 I174 Y484 | W166-G170 PolarHBondContact O-N 3.25Å; L167-G170 CarbonylContact O-C 3.48Å; L167-G170 PolarHBondContact O-N 2.61Å; G170-F173 CarbonylContact O-C 3.59Å; G170-F173 WeakPolarHBondContact O-CA 3.13Å; G170-F173 WeakPolarHBondContact O-CB 3.29Å; G170-F173 PolarHBondContact O-N 2.95Å; G170-I174 WeakPolarHBondContact O-CG1 3.17Å; G170-I174 PolarHBondContact O-N 3.35Å; G170-Y484 PolarHBondContact N-OH 3.26Å |
| 171 | F | 78.9 | Confident | 73.6 | Confident | 120 Ų | 120 | 68.5 Ų | 68.5 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -47.3 | -49.4 | -174.7 | -174.1 | -108 | 0 | 0 | 0 | 115.1 | L167 F173 I174 L175 | L167-F171 WeakPolarHBondContact O-CA 3.41Å; L167-F171 WeakPolarHBondContact O-CB 3.31Å; L167-F171 PolarHBondContact O-N 2.96Å; F171-F173 VanDerWaalsContact C-N 3.3Å; F171-F173 PolarHBondContact O-N 2.9Å; F171-I174 PolarHBondContact O-N 3.32Å; F171-L175 HydrophobicContact CD1-CD1 3.96Å; F171-L175 HydrophobicContact CD1-CG 4.37Å; F171-L175 HydrophobicContact CE1-CD1 3.39Å; F171-L175 HydrophobicContact CE1-CG 4.03Å; F171-L175 HydrophobicContact CE2-CD1 4.41Å; F171-L175 HydrophobicContact CE2-CD2 4.33Å; F171-L175 HydrophobicContact CE2-CG 4.23Å; F171-L175 HydrophobicContact CZ-CD1 3.65Å; F171-L175 HydrophobicContact CZ-CD2 4.14Å; F171-L175 HydrophobicContact CZ-CG 3.95Å; F171-L175 WeakPolarHBondContact O-CG 3.18Å; F171-L175 PolarHBondContact O-N 3.1Å |
| 172 | P | 78.3 | Confident | 73.7 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 25% | 0.247 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.5 | -35.2 | 176.9 | 22.8 | -33 | 0 | 0 | 0 | 113.1 | L175 I176 C383 | P172-L175 PolarHBondContact O-N 3.38Å; P172-I176 WeakPolarHBondContact O-CD1 3.47Å; P172-I176 VanDerWaalsContact O-CG1 3.29Å; P172-I176 WeakPolarHBondContact O-CG1 3.3Å; P172-I176 PolarHBondContact O-N 3.44Å; P172-C383 HydrophobicContact CB-CB 4.49Å |
| 173 | F | 80.1 | Confident | 73.7 | Confident | 15 Ų | 15 | 69.4 Ų | 69.4 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.4 | -37.4 | 177.6 | -54.2 | -84.7 | 0 | 0 | 0 | 111.7 | G170 F171 I176 L177 Y380 C383 K384 Y484 | G170-F173 CarbonylContact O-C 3.59Å; G170-F173 WeakPolarHBondContact O-CA 3.13Å; G170-F173 WeakPolarHBondContact O-CB 3.29Å; G170-F173 PolarHBondContact O-N 2.95Å; F171-F173 VanDerWaalsContact C-N 3.3Å; F171-F173 PolarHBondContact O-N 2.9Å; F173-I176 PolarHBondContact O-N 2.91Å; F173-L177 PolarHBondContact O-N 3.41Å; F173-Y380 AromaticContact CD1-CD2 3.66Å; F173-Y380 HydrophobicContact CD1-CD2 3.66Å; F173-Y380 AromaticContact CD1-CE2 3.61Å; F173-Y380 HydrophobicContact CD1-CE2 3.61Å; F173-Y380 AromaticContact CE1-CD2 3.69Å; F173-Y380 HydrophobicContact CE1-CD2 3.69Å; F173-Y380 AromaticContact CE1-CE2 3.55Å; F173-Y380 HydrophobicContact CE1-CE2 3.55Å; F173-C383 HydrophobicContact CE1-CB 4.14Å; F173-C383 HydrophobicContact CE2-CB 4.42Å; F173-C383 HydrophobicContact CZ-CB 3.81Å; F173-K384 HydrophobicContact CE1-CD 4.42Å; F173-K384 HydrophobicContact CZ-CD 4.5Å; F173-Y484 HydrophobicContact CB-CD1 4.44Å; F173-Y484 HydrophobicContact CB-CD2 4.44Å; F173-Y484 HydrophobicContact CB-CG 4.02Å; F173-Y484 AromaticContact CD1-CD2 3.91Å; F173-Y484 HydrophobicContact CD1-CD2 3.91Å; F173-Y484 HydrophobicContact CD1-CG 4.09Å; F173-Y484 HydrophobicContact CD2-CD1 4.27Å; F173-Y484 AromaticContact CD2-CD2 3.24Å; F173-Y484 HydrophobicContact CD2-CD2 3.24Å; F173-Y484 HydrophobicContact CD2-CE1 4.48Å; F173-Y484 AromaticContact CD2-CE2 3.5Å; F173-Y484 HydrophobicContact CD2-CE2 3.5Å; F173-Y484 VanDerWaalsContact CD2-CE2 3.5Å; F173-Y484 AromaticContact CD2-CG 3.67Å; F173-Y484 HydrophobicContact CD2-CG 3.67Å; F173-Y484 AromaticContact CE1-CD2 3.91Å; F173-Y484 HydrophobicContact CE1-CD2 3.91Å; F173-Y484 AromaticContact CE2-CD2 3.25Å; F173-Y484 HydrophobicContact CE2-CD2 3.25Å; F173-Y484 AromaticContact CE2-CE2 3.33Å; F173-Y484 HydrophobicContact CE2-CE2 3.33Å; F173-Y484 HydrophobicContact CE2-CG 4.15Å; F173-Y484 HydrophobicContact CG-CD1 4.4Å; F173-Y484 AromaticContact CG-CD2 3.59Å; F173-Y484 HydrophobicContact CG-CD2 3.59Å; F173-Y484 HydrophobicContact CG-CE2 4.3Å; F173-Y484 AromaticContact CG-CG 3.64Å; F173-Y484 HydrophobicContact CG-CG 3.64Å; F173-Y484 AromaticContact CZ-CD2 3.6Å; F173-Y484 HydrophobicContact CZ-CD2 3.6Å; F173-Y484 HydrophobicContact CZ-CE2 4.01Å |
| 174 | I | 80.4 | Confident | 73.4 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 30% | 0.297 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 171.2 | -64.1 | 166 | 0 | 0 | 0 | 110.2 | L167 G170 F171 L177 L178 | L167-I174 HydrophobicContact CD2-CD1 4.38Å; G170-I174 WeakPolarHBondContact O-CG1 3.17Å; G170-I174 PolarHBondContact O-N 3.35Å; F171-I174 PolarHBondContact O-N 3.32Å; I174-L177 WeakPolarHBondContact O-CB 3.26Å; I174-L177 PolarHBondContact O-N 2.93Å; I174-L178 HydrophobicContact CG2-CD1 3.87Å; I174-L178 HydrophobicContact CG2-CG 4.28Å; I174-L178 WeakPolarHBondContact O-CB 3.44Å; I174-L178 VanDerWaalsContact O-CG 3.26Å; I174-L178 WeakPolarHBondContact O-CG 3.46Å; I174-L178 PolarHBondContact O-N 2.97Å |
| 175 | L | 78.3 | Confident | 72.6 | Confident | 82 Ų | 82 | 71.5 Ų | 71.5 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 173.9 | -75.2 | -175.6 | 0 | 0 | 0 | 112.8 | F171 P172 L177 L178 A179 | F171-L175 HydrophobicContact CD1-CD1 3.96Å; F171-L175 HydrophobicContact CD1-CG 4.37Å; F171-L175 HydrophobicContact CE1-CD1 3.39Å; F171-L175 HydrophobicContact CE1-CG 4.03Å; F171-L175 HydrophobicContact CE2-CD1 4.41Å; F171-L175 HydrophobicContact CE2-CD2 4.33Å; F171-L175 HydrophobicContact CE2-CG 4.23Å; F171-L175 HydrophobicContact CZ-CD1 3.65Å; F171-L175 HydrophobicContact CZ-CD2 4.14Å; F171-L175 HydrophobicContact CZ-CG 3.95Å; F171-L175 WeakPolarHBondContact O-CG 3.18Å; F171-L175 PolarHBondContact O-N 3.1Å; P172-L175 PolarHBondContact O-N 3.38Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L178 PolarHBondContact O-N 3.41Å; L175-A179 WeakPolarHBondContact O-CB 3.42Å; L175-A179 PolarHBondContact O-N 2.92Å |
| 176 | I | 78.4 | Confident | 71.8 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 172.7 | -73.8 | 159.8 | 0 | 0 | 0 | 110.5 | P172 F173 K180 I361 L376 I379 Y380 | P172-I176 WeakPolarHBondContact O-CD1 3.47Å; P172-I176 VanDerWaalsContact O-CG1 3.29Å; P172-I176 WeakPolarHBondContact O-CG1 3.3Å; P172-I176 PolarHBondContact O-N 3.44Å; F173-I176 PolarHBondContact O-N 2.91Å; I176-K180 WeakPolarHBondContact O-CB 3.45Å; I176-K180 PolarHBondContact O-N 2.85Å; I176-I361 HydrophobicContact CG2-CD1 4.23Å; I176-L376 HydrophobicContact CB-CD2 4.49Å; I176-L376 HydrophobicContact CG1-CD2 4.39Å; I176-L376 HydrophobicContact CG2-CB 4.37Å; I176-L376 HydrophobicContact CG2-CD2 4.23Å; I176-I379 HydrophobicContact CD1-CB 4.42Å; I176-I379 HydrophobicContact CD1-CG2 3.98Å; I176-I379 HydrophobicContact CG1-CG2 4.19Å; I176-Y380 HydrophobicContact CD1-CD2 4.46Å |
| 177 | L | 75.9 | Confident | 71 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 175.5 | -82.5 | 169.7 | 0 | 0 | 0 | 112.2 | F173 I174 L175 A179 K180 V181 F296 W357 Y360 | F173-L177 PolarHBondContact O-N 3.41Å; I174-L177 WeakPolarHBondContact O-CB 3.26Å; I174-L177 PolarHBondContact O-N 2.93Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L177-A179 PolarHBondContact O-N 2.65Å; L177-K180 PolarHBondContact O-N 3.16Å; L177-V181 WeakPolarHBondContact O-CB 3.34Å; L177-V181 VanDerWaalsContact O-CG2 3.32Å; L177-V181 WeakPolarHBondContact O-CG2 3.3Å; L177-V181 PolarHBondContact O-N 3.03Å; L177-F296 HydrophobicContact CD1-CE2 4.21Å; L177-F296 HydrophobicContact CD2-CD2 4.11Å; L177-F296 HydrophobicContact CD2-CE2 3.72Å; L177-W357 HydrophobicContact CD1-CH2 3.89Å; L177-W357 HydrophobicContact CD1-CZ3 4.38Å; L177-W357 HydrophobicContact CD2-CH2 3.81Å; L177-W357 HydrophobicContact CD2-CZ3 3.67Å; L177-W357 HydrophobicContact CG-CH2 4.07Å; L177-W357 HydrophobicContact CG-CZ3 4.06Å; L177-Y360 HydrophobicContact CD2-CE1 4.02Å |
| 178 | L | 76.4 | Confident | 70.2 | Confident | 92 Ų | 92 | 74.6 Ų | 74.6 | 48% | 0.482 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 178.6 | -71.4 | 172 | 0 | 0 | 0 | 111.3 | I174 L175 K180 V181 C182 | I174-L178 HydrophobicContact CG2-CD1 3.87Å; I174-L178 HydrophobicContact CG2-CG 4.28Å; I174-L178 WeakPolarHBondContact O-CB 3.44Å; I174-L178 VanDerWaalsContact O-CG 3.26Å; I174-L178 WeakPolarHBondContact O-CG 3.46Å; I174-L178 PolarHBondContact O-N 2.97Å; L175-L178 PolarHBondContact O-N 3.41Å; L178-K180 PolarHBondContact O-N 3.45Å; L178-V181 PolarHBondContact O-N 3.48Å; L178-C182 WeakPolarHBondContact O-CB 3.46Å; L178-C182 PolarHBondContact O-N 3.46Å; L178-C182 PolarHBondContact O-SG 2.65Å |
| 179 | A | 75.9 | Confident | 69.4 | Low | 42 Ų | 42 | 73.3 Ų | 73.3 | 35% | 0.347 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L175 L177 F183 L376 | L175-A179 WeakPolarHBondContact O-CB 3.42Å; L175-A179 PolarHBondContact O-N 2.92Å; L177-A179 PolarHBondContact O-N 2.65Å; A179-F183 VanDerWaalsContact O-CB 3.25Å; A179-F183 WeakPolarHBondContact O-CB 3.5Å; A179-F183 PolarHBondContact O-N 3.27Å; A179-L376 HydrophobicContact CB-CD2 4.13Å |
| 180 | K | 73.6 | Confident | 68.2 | Low | 27 Ų | 27 | 67.8 Ų | 67.8 | 12% | 0.117 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 174.9 | -174.9 | 161.6 | 177.7 | 148.3 | 0 | 111.8 | I176 L177 L178 Q184 Y360 I361 L376 | I176-K180 WeakPolarHBondContact O-CB 3.45Å; I176-K180 PolarHBondContact O-N 2.85Å; L177-K180 PolarHBondContact O-N 3.16Å; L178-K180 PolarHBondContact O-N 3.45Å; K180-Q184 HydrophobicContact CG-CG 4.44Å; K180-Q184 WeakPolarHBondContact O-CB 3.34Å; K180-Q184 WeakPolarHBondContact O-CG 3.46Å; K180-Q184 PolarHBondContact O-N 2.95Å; K180-Y360 HydrophobicContact CD-CE1 4.22Å; K180-Y360 PolarHBondContact NZ-O 3.47Å; K180-I361 PolarHBondContact NZ-O 3.29Å; K180-L376 HydrophobicContact CB-CD1 3.84Å; K180-L376 HydrophobicContact CG-CD1 4.42Å |
| 181 | V | 68.5 | Low | 67.3 | Low | 51 Ų | 51 | 70.2 Ų | 70.2 | 31% | 0.309 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.6 | -41.7 | -179.7 | 170.8 | 0 | 0 | 0 | 0 | 112 | L177 L178 Q184 | L177-V181 WeakPolarHBondContact O-CB 3.34Å; L177-V181 VanDerWaalsContact O-CG2 3.32Å; L177-V181 WeakPolarHBondContact O-CG2 3.3Å; L177-V181 PolarHBondContact O-N 3.03Å; L178-V181 PolarHBondContact O-N 3.48Å; V181-Q184 CarbonylContact O-C 3.14Å |
| 182 | C | 68.4 | Low | 66.1 | Low | 76 Ų | 76 | 70.6 Ų | 70.6 | 51% | 0.514 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.3 | -40.9 | 178.1 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | L178 H185 | L178-C182 WeakPolarHBondContact O-CB 3.46Å; L178-C182 PolarHBondContact O-N 3.46Å; L178-C182 PolarHBondContact O-SG 2.65Å; C182-H185 VanDerWaalsContact O-CB 3.27Å; C182-H185 WeakPolarHBondContact O-CB 3Å; C182-H185 PolarHBondContact O-CD2 3.13Å; C182-H185 PolarHBondContact O-N 3.5Å |
| 183 | F | 65.4 | Low | 64.8 | Low | 135 Ų | 135 | 73.3 Ų | 73.3 | 59% | 0.592 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -71.9 | -35.9 | 177.2 | -155.3 | -82 | 0 | 0 | 0 | 111.2 | A179 H185 L372 | A179-F183 VanDerWaalsContact O-CB 3.25Å; A179-F183 WeakPolarHBondContact O-CB 3.5Å; A179-F183 PolarHBondContact O-N 3.27Å; F183-H185 PolarHBondContact O-N 3.07Å; F183-L372 HydrophobicContact CB-CD1 4.39Å; F183-L372 HydrophobicContact CB-CD2 3.6Å; F183-L372 HydrophobicContact CD1-CD2 3.65Å; F183-L372 HydrophobicContact CD2-CD1 4.17Å; F183-L372 HydrophobicContact CD2-CD2 4.45Å; F183-L372 HydrophobicContact CE1-CD2 4.43Å; F183-L372 HydrophobicContact CG-CD1 4.17Å; F183-L372 HydrophobicContact CG-CD2 3.64Å; F183-L372 HydrophobicContact CG-CG 4.46Å |
| 184 | Q | 62.4 | Low | 63.6 | Low | 53 Ų | 53 | 74.4 Ų | 74.4 | 25% | 0.248 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -76.3 | 54.6 | 162.8 | -60.9 | -70.4 | 2.3 | 0 | 0 | 110.6 | K180 V181 K186 L187 G188 | K180-Q184 HydrophobicContact CG-CG 4.44Å; K180-Q184 WeakPolarHBondContact O-CB 3.34Å; K180-Q184 WeakPolarHBondContact O-CG 3.46Å; K180-Q184 PolarHBondContact O-N 2.95Å; V181-Q184 CarbonylContact O-C 3.14Å; Q184-K186 CarbonylContact O-C 3.54Å; Q184-K186 PolarHBondContact O-N 3.39Å; Q184-L187 HydrophobicContact CB-CB 3.89Å; Q184-L187 HydrophobicContact CB-CD1 3.77Å; Q184-L187 HydrophobicContact CB-CG 4.47Å; Q184-L187 HydrophobicContact CG-CD1 3.9Å; Q184-L187 WeakPolarHBondContact O-CA 3.45Å; Q184-L187 PolarHBondContact O-N 3.26Å; Q184-L187 VanDerWaalsContact OE1-CD1 3.29Å; Q184-G188 PolarHBondContact O-N 3Å; Q184-G188 VanDerWaalsContact O-N 3.17Å |
| 185 | H | 54.4 | Low | 62.5 | Low | 148 Ų | 148 | 77.2 Ų | 77.2 | 69% | 0.685 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -6.3 | -177.3 | -139.7 | -69.7 | 0 | 0 | 0 | 113.5 | C182 F183 | C182-H185 VanDerWaalsContact O-CB 3.27Å; C182-H185 WeakPolarHBondContact O-CB 3Å; C182-H185 PolarHBondContact O-CD2 3.13Å; C182-H185 PolarHBondContact O-N 3.5Å; F183-H185 PolarHBondContact O-N 3.07Å |
| 186 | K | 53 | Low | 61.2 | Low | 182 Ų | 182 | 78.8 Ų | 78.8 | 79% | 0.791 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -28.3 | 164.4 | -66 | -151.3 | 177.4 | -171.4 | 0 | 114.6 | Q184 I189 S190 | Q184-K186 CarbonylContact O-C 3.54Å; Q184-K186 PolarHBondContact O-N 3.39Å; K186-I189 CarbonylContact O-C 3.56Å; K186-I189 PolarHBondContact O-N 3.44Å; K186-S190 VanDerWaalsContact O-CB 3.31Å; K186-S190 WeakPolarHBondContact O-CB 3.46Å; K186-S190 PolarHBondContact O-N 2.95Å |
| 187 | L | 52.1 | Low | 60 | Low | 71 Ų | 71 | 80.8 Ų | 80.8 | 37% | 0.372 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -80.4 | -19.4 | 171.8 | -77.1 | 114.7 | 0 | 0 | 0 | 115.2 | Q184 I189 S190 I191 | Q184-L187 HydrophobicContact CB-CB 3.89Å; Q184-L187 HydrophobicContact CB-CD1 3.77Å; Q184-L187 HydrophobicContact CB-CG 4.47Å; Q184-L187 HydrophobicContact CG-CD1 3.9Å; Q184-L187 WeakPolarHBondContact O-CA 3.45Å; Q184-L187 PolarHBondContact O-N 3.26Å; Q184-L187 VanDerWaalsContact OE1-CD1 3.29Å; L187-I189 PolarHBondContact O-N 3.43Å; L187-S190 CarbonylContact O-C 3.3Å; L187-S190 VanDerWaalsContact O-C 3.3Å; L187-S190 PolarHBondContact O-N 2.99Å; L187-S190 VanDerWaalsContact O-N 3.16Å; L187-I191 WeakPolarHBondContact O-CB 3.44Å; L187-I191 WeakPolarHBondContact O-CG1 3.48Å; L187-I191 PolarHBondContact O-N 2.92Å |
| 188 | G | 53.7 | Low | 58.9 | Low | 32 Ų | 32 | 84 Ų | 84 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q184 | Q184-G188 PolarHBondContact O-N 3Å; Q184-G188 VanDerWaalsContact O-N 3.17Å |
| 189 | I | 54.8 | Low | 57.8 | Low | 116 Ų | 116 | 81.9 Ų | 81.9 | 60% | 0.595 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -74 | -39.7 | 171 | -64 | 169.5 | 0 | 0 | 0 | 110.7 | K186 L187 I191 L192 K193 | K186-I189 CarbonylContact O-C 3.56Å; K186-I189 PolarHBondContact O-N 3.44Å; L187-I189 PolarHBondContact O-N 3.43Å; I189-I191 VanDerWaalsContact C-N 3.32Å; I189-I191 PolarHBondContact O-N 3.19Å; I189-L192 CarbonylContact O-C 3.36Å; I189-L192 PolarHBondContact O-N 3.05Å; I189-K193 WeakPolarHBondContact O-CA 3.33Å; I189-K193 WeakPolarHBondContact O-CB 3.46Å; I189-K193 PolarHBondContact O-N 2.89Å |
| 190 | S | 49.2 | Very low | 56.6 | Low | 37 Ų | 37 | 84.8 Ų | 84.8 | 26% | 0.259 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -78.2 | 3.2 | 177.8 | -145.8 | 0 | 0 | 0 | 0 | 115.7 | K186 L187 S194 | K186-S190 VanDerWaalsContact O-CB 3.31Å; K186-S190 WeakPolarHBondContact O-CB 3.46Å; K186-S190 PolarHBondContact O-N 2.95Å; L187-S190 CarbonylContact O-C 3.3Å; L187-S190 VanDerWaalsContact O-C 3.3Å; L187-S190 PolarHBondContact O-N 2.99Å; L187-S190 VanDerWaalsContact O-N 3.16Å; S190-S194 WeakPolarHBondContact O-CA 3.43Å; S190-S194 WeakPolarHBondContact O-CB 3.14Å; S190-S194 PolarHBondContact O-N 3.13Å; S190-S194 PolarHBondContact O-OG 3.18Å |
| 191 | I | 55.4 | Low | 55.6 | Low | 52 Ų | 52 | 90.9 Ų | 90.9 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -93.9 | -44.1 | 166.3 | -73.4 | 162.2 | 0 | 0 | 0 | 108.2 | L187 I189 K193 S194 F195 F297 | L187-I191 WeakPolarHBondContact O-CB 3.44Å; L187-I191 WeakPolarHBondContact O-CG1 3.48Å; L187-I191 PolarHBondContact O-N 2.92Å; I189-I191 VanDerWaalsContact C-N 3.32Å; I189-I191 PolarHBondContact O-N 3.19Å; I191-K193 PolarHBondContact O-N 3.29Å; I191-S194 PolarHBondContact O-N 2.99Å; I191-F195 VanDerWaalsContact O-CB 3.26Å; I191-F195 WeakPolarHBondContact O-CB 3.21Å; I191-F195 PolarHBondContact O-N 2.78Å; I191-F297 HydrophobicContact CG2-CE2 3.84Å |
| 192 | L | 53.6 | Low | 54.8 | Low | 127 Ų | 127 | 92.3 Ų | 92.3 | 67% | 0.665 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.6 | -39.3 | 163.5 | -112.7 | 111.8 | 0 | 0 | 0 | 110.9 | I189 F196 | I189-L192 CarbonylContact O-C 3.36Å; I189-L192 PolarHBondContact O-N 3.05Å; L192-F196 VanDerWaalsContact O-CB 3.3Å; L192-F196 WeakPolarHBondContact O-CB 3.19Å; L192-F196 PolarHBondContact O-N 3.21Å |
| 193 | K | 51.6 | Low | 53.8 | Low | 95 Ų | 95 | 91.2 Ų | 91.2 | 41% | 0.413 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -86.8 | -19.5 | 179.2 | 175.9 | 168.2 | 171.8 | 52.8 | 0 | 114.3 | I189 I191 F196 D197 | I189-K193 WeakPolarHBondContact O-CA 3.33Å; I189-K193 WeakPolarHBondContact O-CB 3.46Å; I189-K193 PolarHBondContact O-N 2.89Å; I191-K193 PolarHBondContact O-N 3.29Å; K193-F196 CarbonylContact O-C 3.59Å; K193-D197 VanDerWaalsContact CE-OD2 3.27Å; K193-D197 WeakPolarHBondContact CE-OD2 3.24Å; K193-D197 WeakPolarHBondContact CG-OD2 3.36Å; K193-D197 IonicContact NZ-OD1 2.67Å; K193-D197 PolarHBondContact NZ-OD1 3.32Å; K193-D197 IonicContact NZ-OD2 2.72Å; K193-D197 PolarHBondContact NZ-OD2 3.04Å; K193-D197 VanDerWaalsContact O-CA 3.29Å; K193-D197 WeakPolarHBondContact O-CA 3.28Å; K193-D197 WeakPolarHBondContact O-CB 3.14Å; K193-D197 PolarHBondContact O-N 3.44Å |
| 194 | S | 53.3 | Low | 53.1 | Low | 38 Ų | 38 | 92.2 Ų | 92.2 | 27% | 0.266 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -77.7 | -33 | 161.9 | -76.5 | 0 | 0 | 0 | 0 | 111 | S190 I191 D197 L198 | S190-S194 WeakPolarHBondContact O-CA 3.43Å; S190-S194 WeakPolarHBondContact O-CB 3.14Å; S190-S194 PolarHBondContact O-N 3.13Å; S190-S194 PolarHBondContact O-OG 3.18Å; I191-S194 PolarHBondContact O-N 2.99Å; S194-D197 PolarHBondContact O-N 2.99Å; S194-L198 WeakPolarHBondContact O-CB 3.45Å; S194-L198 PolarHBondContact O-N 3.45Å |
| 195 | F | 57.4 | Low | 52.7 | Low | 118 Ų | 118 | 93.7 Ų | 93.7 | 52% | 0.518 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 167.9 | -162.6 | -90.7 | 0 | 0 | 0 | 110.3 | I191 Q199 | I191-F195 VanDerWaalsContact O-CB 3.26Å; I191-F195 WeakPolarHBondContact O-CB 3.21Å; I191-F195 PolarHBondContact O-N 2.78Å; F195-Q199 WeakPolarHBondContact O-CB 3.4Å; F195-Q199 PolarHBondContact O-N 3.23Å |
| 196 | F | 52.3 | Low | 52.9 | Low | 115 Ų | 115 | 91.1 Ų | 91.1 | 50% | 0.504 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.9 | -30.7 | 173.2 | -105.5 | -95.8 | 0 | 0 | 0 | 114.1 | L192 K193 Q199 Q200 | L192-F196 VanDerWaalsContact O-CB 3.3Å; L192-F196 WeakPolarHBondContact O-CB 3.19Å; L192-F196 PolarHBondContact O-N 3.21Å; K193-F196 CarbonylContact O-C 3.59Å; F196-Q199 CarbonylContact O-C 3.59Å; F196-Q199 WeakPolarHBondContact O-CB 3.41Å; F196-Q200 WeakPolarHBondContact O-CA 3.28Å; F196-Q200 WeakPolarHBondContact O-CB 3.34Å; F196-Q200 PolarHBondContact O-N 3.24Å |
| 197 | D | 51.8 | Low | 52.9 | Low | 51 Ų | 51 | 83.8 Ų | 83.8 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -89.3 | -25.5 | -177.9 | -72.8 | -15.4 | 0 | 0 | 0 | 111.8 | K193 S194 Q200 Y201 | K193-D197 VanDerWaalsContact CE-OD2 3.27Å; K193-D197 WeakPolarHBondContact CE-OD2 3.24Å; K193-D197 WeakPolarHBondContact CG-OD2 3.36Å; K193-D197 IonicContact NZ-OD1 2.67Å; K193-D197 PolarHBondContact NZ-OD1 3.32Å; K193-D197 IonicContact NZ-OD2 2.72Å; K193-D197 PolarHBondContact NZ-OD2 3.04Å; K193-D197 VanDerWaalsContact O-CA 3.29Å; K193-D197 WeakPolarHBondContact O-CA 3.28Å; K193-D197 WeakPolarHBondContact O-CB 3.14Å; K193-D197 PolarHBondContact O-N 3.44Å; S194-D197 PolarHBondContact O-N 2.99Å; D197-Q200 PolarHBondContact O-N 2.91Å; D197-Y201 WeakPolarHBondContact O-CA 3.46Å; D197-Y201 WeakPolarHBondContact O-CB 3.22Å; D197-Y201 PolarHBondContact O-N 3.48Å |
| 198 | L | 54.5 | Low | 53.3 | Low | 106 Ų | 106 | 86.4 Ų | 86.4 | 56% | 0.555 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.1 | -43.6 | 162.3 | -165.8 | 78.9 | 0 | 0 | 0 | 108.9 | S194 Q200 Y201 Y202 | S194-L198 WeakPolarHBondContact O-CB 3.45Å; S194-L198 PolarHBondContact O-N 3.45Å; L198-Q200 VanDerWaalsContact C-N 3.27Å; L198-Q200 PolarHBondContact O-N 3.18Å; L198-Y201 PolarHBondContact O-N 2.83Å; L198-Y202 WeakPolarHBondContact O-CB 3.39Å; L198-Y202 PolarHBondContact O-N 2.92Å |
| 199 | Q | 53.4 | Low | 54.3 | Low | 48 Ų | 48 | 89.3 Ų | 89.3 | 22% | 0.224 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.4 | -32.8 | 169.9 | 176.9 | -177 | -32.5 | 0 | 0 | 112.3 | F195 F196 Q203 | F195-Q199 WeakPolarHBondContact O-CB 3.4Å; F195-Q199 PolarHBondContact O-N 3.23Å; F196-Q199 CarbonylContact O-C 3.59Å; F196-Q199 WeakPolarHBondContact O-CB 3.41Å; Q199-Q203 VanDerWaalsContact O-CB 3.23Å; Q199-Q203 WeakPolarHBondContact O-CB 3.26Å; Q199-Q203 VanDerWaalsContact O-CG 3.24Å; Q199-Q203 WeakPolarHBondContact O-CG 3.19Å; Q199-Q203 PolarHBondContact O-N 3.44Å |
| 200 | Q | 49.1 | Very low | 55.1 | Low | 102 Ų | 102 | 92.2 Ų | 92.2 | 48% | 0.477 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -83 | -39.3 | 177 | -166.9 | 168.2 | -40.5 | 0 | 0 | 112.1 | F196 D197 L198 Q203 Q204 | F196-Q200 WeakPolarHBondContact O-CA 3.28Å; F196-Q200 WeakPolarHBondContact O-CB 3.34Å; F196-Q200 PolarHBondContact O-N 3.24Å; D197-Q200 PolarHBondContact O-N 2.91Å; L198-Q200 VanDerWaalsContact C-N 3.27Å; L198-Q200 PolarHBondContact O-N 3.18Å; Q200-Q203 CarbonylContact O-C 3.56Å; Q200-Q203 WeakPolarHBondContact O-CB 3.25Å; Q200-Q203 PolarHBondContact O-N 3.05Å; Q200-Q204 VanDerWaalsContact O-CB 3.25Å; Q200-Q204 WeakPolarHBondContact O-CB 3.38Å; Q200-Q204 PolarHBondContact O-N 2.82Å |
| 201 | Y | 54.2 | Low | 56.3 | Low | 155 Ų | 155 | 100.4 Ų | 100.4 | 61% | 0.608 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.2 | -41.2 | 177.1 | 179.7 | -100.5 | 0 | 0 | 0 | 111.4 | D197 L198 Q204 T205 | D197-Y201 WeakPolarHBondContact O-CA 3.46Å; D197-Y201 WeakPolarHBondContact O-CB 3.22Å; D197-Y201 PolarHBondContact O-N 3.48Å; L198-Y201 PolarHBondContact O-N 2.83Å; Y201-Q204 PolarHBondContact O-N 3.23Å; Y201-T205 WeakPolarHBondContact O-CB 3.48Å; Y201-T205 PolarHBondContact O-N 3.45Å; Y201-T205 PolarHBondContact O-OG1 2.71Å |
| 202 | Y | 51.2 | Low | 57.2 | Low | 81 Ų | 81 | 103.2 Ų | 103.2 | 32% | 0.318 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 171.9 | -153.8 | -102.8 | 0 | 0 | 0 | 111 | L198 Q204 V206 C213 A216 M217 | L198-Y202 WeakPolarHBondContact O-CB 3.39Å; L198-Y202 PolarHBondContact O-N 2.92Å; Y202-Q204 VanDerWaalsContact C-N 3.33Å; Y202-Q204 PolarHBondContact O-N 3.2Å; Y202-V206 HydrophobicContact CD2-CG2 4.35Å; Y202-V206 HydrophobicContact CE2-CG2 4.3Å; Y202-V206 PolarHBondContact O-N 3.01Å; Y202-C213 HydrophobicContact CD1-CB 4.23Å; Y202-C213 WeakPolarHBondContact CD1-SG 3.49Å; Y202-C213 PolarHBondContact O-SG 3.49Å; Y202-C213 VanDerWaalsContact O-SG 3.42Å; Y202-A216 HydrophobicContact CE1-CB 4.46Å; Y202-M217 HydrophobicContact CD1-SD 4.49Å |
| 203 | Q | 46.6 | Very low | 57.9 | Low | 53 Ų | 53 | 97.4 Ų | 97.4 | 25% | 0.248 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.3 | -32.1 | 168.8 | -90.4 | 174.8 | -154 | 0 | 0 | 114.1 | Q199 Q200 R210 C213 | Q199-Q203 VanDerWaalsContact O-CB 3.23Å; Q199-Q203 WeakPolarHBondContact O-CB 3.26Å; Q199-Q203 VanDerWaalsContact O-CG 3.24Å; Q199-Q203 WeakPolarHBondContact O-CG 3.19Å; Q199-Q203 PolarHBondContact O-N 3.44Å; Q200-Q203 CarbonylContact O-C 3.56Å; Q200-Q203 WeakPolarHBondContact O-CB 3.25Å; Q200-Q203 PolarHBondContact O-N 3.05Å; Q203-R210 HydrophobicContact CG-CG 3.89Å; Q203-C213 HydrophobicContact CG-CB 4.44Å |
| 204 | Q | 52.1 | Low | 58.9 | Low | 157 Ų | 157 | 96.3 Ų | 96.3 | 73% | 0.734 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -85.9 | -29.6 | -175.6 | -157.3 | 78.1 | 22.3 | 0 | 0 | 112.3 | Q200 Y201 Y202 | Q200-Q204 VanDerWaalsContact O-CB 3.25Å; Q200-Q204 WeakPolarHBondContact O-CB 3.38Å; Q200-Q204 PolarHBondContact O-N 2.82Å; Y201-Q204 PolarHBondContact O-N 3.23Å; Y202-Q204 VanDerWaalsContact C-N 3.33Å; Y202-Q204 PolarHBondContact O-N 3.2Å |
| 205 | T | 54.1 | Low | 59.9 | Low | 84 Ų | 84 | 98.1 Ų | 98.1 | 52% | 0.515 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -107.2 | -27.7 | -165.2 | -45.3 | 0 | 0 | 0 | 0 | 113.8 | Y201 | Y201-T205 WeakPolarHBondContact O-CB 3.48Å; Y201-T205 PolarHBondContact O-N 3.45Å; Y201-T205 PolarHBondContact O-OG1 2.71Å |
| 206 | V | 57.5 | Low | 60.6 | Low | 93 Ų | 93 | 93.9 Ų | 93.9 | 56% | 0.564 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | -36.9 | -168.1 | -172.3 | 0 | 0 | 0 | 0 | 114.5 | Y202 | Y202-V206 HydrophobicContact CD2-CG2 4.35Å; Y202-V206 HydrophobicContact CE2-CG2 4.3Å; Y202-V206 PolarHBondContact O-N 3.01Å |
| 207 | C | 53.3 | Low | 61.3 | Low | 29 Ų | 29 | 90.9 Ų | 90.9 | 20% | 0.196 | 45% | 0.452 | C | S | . | . | trans | -109.7 | 114.2 | -178.7 | -49.7 | 0 | 0 | 0 | 0 | 113.7 | N209 C213 | C207-N209 WeakPolarHBondContact CB-O 3.37Å; C207-N209 PolarHBondContact O-N 3.34Å; C207-C213 HydrophobicContact CB-CB 3.79Å; C207-C213 WeakPolarHBondContact CB-SG 3.38Å; C207-C213 WeakPolarHBondContact SG-CA 3.35Å; C207-C213 WeakPolarHBondContact SG-CB 3.27Å; C207-C213 PolarHBondContact SG-N 2.94Å; C207-C213 VanDerWaalsContact SG-N 3.41Å; C207-C213 CovalentContact SG-SG 2.03Å; C207-C213 PolarHBondContact SG-SG 2.9Å | ||
| 208 | S | 59.7 | Low | 62.3 | Low | 125 Ų | 125 | 93.1 Ų | 93.1 | 87% | 0.874 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -60 | -12 | 158.6 | -176.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 209 | N | 74.3 | Confident | 63.3 | Low | 94 Ų | 94 | 93.1 Ų | 93.1 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -123.5 | 108.2 | -177.2 | -76.5 | -58.1 | 0 | 0 | 0 | 111.3 | C207 W211 L212 C213 | C207-N209 WeakPolarHBondContact CB-O 3.37Å; C207-N209 PolarHBondContact O-N 3.34Å; N209-W211 PolarHBondContact O-N 2.82Å; N209-W211 VanDerWaalsContact O-N 3.16Å; N209-L212 HydrophobicContact CB-CB 4.09Å; N209-L212 HydrophobicContact CB-CD1 3.74Å; N209-L212 HydrophobicContact CB-CG 4.33Å; N209-L212 PolarHBondContact O-N 3.43Å; N209-C213 PolarHBondContact O-N 3.41Å |
| 210 | R | 72.5 | Confident | 64.2 | Low | 176 Ų | 176 | 95.9 Ų | 95.9 | 66% | 0.664 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56 | -34.3 | -178.5 | -138.6 | 171 | 90.3 | -178.4 | 6.7 | 113.5 | Q203 L214 | Q203-R210 HydrophobicContact CG-CG 3.89Å; R210-L214 WeakPolarHBondContact O-CG 3.42Å; R210-L214 PolarHBondContact O-N 3.14Å; R210-L214 VanDerWaalsContact O-N 3.15Å |
| 211 | W | 74.9 | Confident | 65.4 | Low | 210 Ų | 210 | 97.3 Ų | 97.3 | 80% | 0.795 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 176.1 | -72 | 109.1 | 0 | 0 | 0 | 113.6 | N209 C213 L214 V215 | N209-W211 PolarHBondContact O-N 2.82Å; N209-W211 VanDerWaalsContact O-N 3.16Å; W211-C213 VanDerWaalsContact C-N 3.34Å; W211-C213 PolarHBondContact O-N 3.2Å; W211-L214 PolarHBondContact O-N 3.1Å; W211-V215 WeakPolarHBondContact O-CG2 3.39Å; W211-V215 PolarHBondContact O-N 3.46Å |
| 212 | L | 74.4 | Confident | 66.7 | Low | 111 Ų | 111 | 95.4 Ų | 95.4 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 179.1 | -90.1 | 156.3 | 0 | 0 | 0 | 111.3 | N209 V215 A216 | N209-L212 HydrophobicContact CB-CB 4.09Å; N209-L212 HydrophobicContact CB-CD1 3.74Å; N209-L212 HydrophobicContact CB-CG 4.33Å; N209-L212 PolarHBondContact O-N 3.43Å; L212-V215 PolarHBondContact O-N 2.9Å; L212-A216 WeakPolarHBondContact O-CB 3.15Å; L212-A216 PolarHBondContact O-N 3.35Å |
| 213 | C | 68.1 | Low | 67.9 | Low | 5 Ų | 5 | 94 Ų | 94 | 3% | 0.034 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | 174 | -95.3 | 0 | 0 | 0 | 0 | 112.8 | Y202 Q203 C207 N209 W211 V215 A216 M217 | Y202-C213 HydrophobicContact CD1-CB 4.23Å; Y202-C213 WeakPolarHBondContact CD1-SG 3.49Å; Y202-C213 PolarHBondContact O-SG 3.49Å; Y202-C213 VanDerWaalsContact O-SG 3.42Å; Q203-C213 HydrophobicContact CG-CB 4.44Å; C207-C213 HydrophobicContact CB-CB 3.79Å; C207-C213 WeakPolarHBondContact CB-SG 3.38Å; C207-C213 WeakPolarHBondContact SG-CA 3.35Å; C207-C213 WeakPolarHBondContact SG-CB 3.27Å; C207-C213 PolarHBondContact SG-N 2.94Å; C207-C213 VanDerWaalsContact SG-N 3.41Å; C207-C213 CovalentContact SG-SG 2.03Å; C207-C213 PolarHBondContact SG-SG 2.9Å; N209-C213 PolarHBondContact O-N 3.41Å; W211-C213 VanDerWaalsContact C-N 3.34Å; W211-C213 PolarHBondContact O-N 3.2Å; C213-V215 PolarHBondContact O-N 3.3Å; C213-A216 PolarHBondContact O-N 3.18Å; C213-M217 VanDerWaalsContact O-CG 3.3Å; C213-M217 WeakPolarHBondContact O-CG 3.28Å; C213-M217 PolarHBondContact O-N 2.91Å |
| 214 | L | 72.6 | Confident | 69.6 | Low | 71 Ų | 71 | 92.3 Ų | 92.3 | 37% | 0.372 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -42 | 174.3 | -74.8 | 171.4 | 0 | 0 | 0 | 112.3 | R210 W211 L218 | R210-L214 WeakPolarHBondContact O-CG 3.42Å; R210-L214 PolarHBondContact O-N 3.14Å; R210-L214 VanDerWaalsContact O-N 3.15Å; W211-L214 PolarHBondContact O-N 3.1Å; L214-L218 VanDerWaalsContact O-CB 3.3Å; L214-L218 WeakPolarHBondContact O-CB 3.22Å; L214-L218 PolarHBondContact O-N 2.82Å |
| 215 | V | 75.1 | Confident | 71.1 | Confident | 77 Ų | 77 | 88.4 Ų | 88.4 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 111 | W211 L212 C213 M217 L218 L219 | W211-V215 WeakPolarHBondContact O-CG2 3.39Å; W211-V215 PolarHBondContact O-N 3.46Å; L212-V215 PolarHBondContact O-N 2.9Å; C213-V215 PolarHBondContact O-N 3.3Å; V215-M217 PolarHBondContact O-N 3.1Å; V215-L218 PolarHBondContact O-N 2.99Å; V215-L219 HydrophobicContact CG1-CD1 3.87Å; V215-L219 HydrophobicContact CG1-CG 4.34Å; V215-L219 WeakPolarHBondContact O-CB 3.33Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.36Å; V215-L219 PolarHBondContact O-N 2.75Å |
| 216 | A | 71.1 | Confident | 72.6 | Confident | 29 Ų | 29 | 87.2 Ų | 87.2 | 24% | 0.24 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y202 L212 C213 L218 L219 L220 | Y202-A216 HydrophobicContact CE1-CB 4.46Å; L212-A216 WeakPolarHBondContact O-CB 3.15Å; L212-A216 PolarHBondContact O-N 3.35Å; C213-A216 PolarHBondContact O-N 3.18Å; A216-L218 PolarHBondContact O-N 2.96Å; A216-L219 PolarHBondContact O-N 3.48Å; A216-L220 WeakPolarHBondContact O-CG 3.28Å; A216-L220 PolarHBondContact O-N 3.41Å |
| 217 | M | 66.7 | Low | 74.1 | Confident | 51 Ų | 51 | 84.6 Ų | 84.6 | 25% | 0.251 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 177.3 | -70.1 | -65.1 | -71.5 | 0 | 0 | 112.3 | Y202 C213 V215 L220 F221 | Y202-M217 HydrophobicContact CD1-SD 4.49Å; C213-M217 VanDerWaalsContact O-CG 3.3Å; C213-M217 WeakPolarHBondContact O-CG 3.28Å; C213-M217 PolarHBondContact O-N 2.91Å; V215-M217 PolarHBondContact O-N 3.1Å; M217-L220 PolarHBondContact O-N 2.87Å; M217-L220 HydrophobicContact SD-CD1 4.49Å; M217-F221 WeakPolarHBondContact O-CB 3.43Å; M217-F221 PolarHBondContact O-N 3.31Å |
| 218 | L | 72.8 | Confident | 75.8 | Confident | 98 Ų | 98 | 85.4 Ų | 85.4 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 177 | -173.6 | 126.8 | 0 | 0 | 0 | 111.5 | L214 V215 A216 F221 F222 | L214-L218 VanDerWaalsContact O-CB 3.3Å; L214-L218 WeakPolarHBondContact O-CB 3.22Å; L214-L218 PolarHBondContact O-N 2.82Å; V215-L218 PolarHBondContact O-N 2.99Å; A216-L218 PolarHBondContact O-N 2.96Å; L218-F221 PolarHBondContact O-N 3.28Å; L218-F222 HydrophobicContact CD1-CE2 4.28Å; L218-F222 HydrophobicContact CD2-CD2 3.85Å; L218-F222 HydrophobicContact CD2-CE2 3.67Å; L218-F222 HydrophobicContact CG-CD2 3.94Å; L218-F222 HydrophobicContact CG-CE2 3.7Å; L218-F222 WeakPolarHBondContact O-CD2 3.44Å; L218-F222 PolarHBondContact O-N 2.96Å |
| 219 | L | 74.9 | Confident | 77.3 | Confident | 107 Ų | 107 | 83.3 Ų | 83.3 | 56% | 0.56 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 173.5 | -71.4 | 170.4 | 0 | 0 | 0 | 112.3 | V215 A216 F222 A223 | V215-L219 HydrophobicContact CG1-CD1 3.87Å; V215-L219 HydrophobicContact CG1-CG 4.34Å; V215-L219 WeakPolarHBondContact O-CB 3.33Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.36Å; V215-L219 PolarHBondContact O-N 2.75Å; A216-L219 PolarHBondContact O-N 3.48Å; L219-F222 PolarHBondContact O-N 3.03Å; L219-A223 WeakPolarHBondContact O-CB 3.41Å; L219-A223 PolarHBondContact O-N 2.86Å |
| 220 | L | 73.1 | Confident | 78.2 | Confident | 106 Ų | 106 | 80.4 Ų | 80.4 | 56% | 0.555 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 175.9 | -73.3 | 169.8 | 0 | 0 | 0 | 111.9 | A216 M217 A223 G224 | A216-L220 WeakPolarHBondContact O-CG 3.28Å; A216-L220 PolarHBondContact O-N 3.41Å; M217-L220 PolarHBondContact O-N 2.87Å; M217-L220 HydrophobicContact SD-CD1 4.49Å; L220-A223 PolarHBondContact O-N 2.96Å; L220-G224 PolarHBondContact O-N 3.27Å |
| 221 | F | 75.4 | Confident | 79.3 | Confident | 131 Ų | 131 | 72.5 Ų | 72.5 | 58% | 0.575 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.3 | -47 | 175.5 | 177.7 | -103.9 | 0 | 0 | 0 | 112.1 | M217 L218 A223 G224 I225 | M217-F221 WeakPolarHBondContact O-CB 3.43Å; M217-F221 PolarHBondContact O-N 3.31Å; L218-F221 PolarHBondContact O-N 3.28Å; F221-A223 VanDerWaalsContact C-N 3.35Å; F221-A223 PolarHBondContact O-N 3.44Å; F221-G224 PolarHBondContact O-N 2.9Å; F221-I225 HydrophobicContact CD1-CD1 3.97Å; F221-I225 HydrophobicContact CE1-CD1 3.42Å; F221-I225 VanDerWaalsContact CE1-CD1 3.42Å; F221-I225 HydrophobicContact CE2-CD1 4.24Å; F221-I225 HydrophobicContact CZ-CD1 3.59Å; F221-I225 PolarHBondContact O-N 3.33Å |
| 222 | F | 79.7 | Confident | 80.2 | Confident | 115 Ų | 115 | 66.8 Ų | 66.8 | 50% | 0.504 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.5 | -34.3 | 176.1 | -77.6 | -59.8 | 0 | 0 | 0 | 112.9 | L218 L219 I225 A226 | L218-F222 HydrophobicContact CD1-CE2 4.28Å; L218-F222 HydrophobicContact CD2-CD2 3.85Å; L218-F222 HydrophobicContact CD2-CE2 3.67Å; L218-F222 HydrophobicContact CG-CD2 3.94Å; L218-F222 HydrophobicContact CG-CE2 3.7Å; L218-F222 WeakPolarHBondContact O-CD2 3.44Å; L218-F222 PolarHBondContact O-N 2.96Å; L219-F222 PolarHBondContact O-N 3.03Å; F222-I225 PolarHBondContact O-N 3.34Å; F222-A226 WeakPolarHBondContact O-CB 3.23Å; F222-A226 PolarHBondContact O-N 2.91Å |
| 223 | A | 78.1 | Confident | 81.2 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L219 L220 F221 I225 A226 V227 | L219-A223 WeakPolarHBondContact O-CB 3.41Å; L219-A223 PolarHBondContact O-N 2.86Å; L220-A223 PolarHBondContact O-N 2.96Å; F221-A223 VanDerWaalsContact C-N 3.35Å; F221-A223 PolarHBondContact O-N 3.44Å; A223-I225 PolarHBondContact O-N 2.9Å; A223-A226 PolarHBondContact O-N 3.22Å; A223-V227 WeakPolarHBondContact O-CG2 3.33Å; A223-V227 PolarHBondContact O-N 3.46Å |
| 224 | G | 80.7 | Confident | 82.5 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 19% | 0.186 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L220 F221 V227 C228 | L220-G224 PolarHBondContact O-N 3.27Å; F221-G224 PolarHBondContact O-N 2.9Å; G224-V227 PolarHBondContact O-N 2.99Å; G224-C228 PolarHBondContact O-N 3.34Å |
| 225 | I | 83.7 | Confident | 83.6 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 38% | 0.379 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 173.9 | -68.2 | 173.4 | 0 | 0 | 0 | 111.2 | F221 F222 A223 V227 C228 V229 | F221-I225 HydrophobicContact CD1-CD1 3.97Å; F221-I225 HydrophobicContact CE1-CD1 3.42Å; F221-I225 VanDerWaalsContact CE1-CD1 3.42Å; F221-I225 HydrophobicContact CE2-CD1 4.24Å; F221-I225 HydrophobicContact CZ-CD1 3.59Å; F221-I225 PolarHBondContact O-N 3.33Å; F222-I225 PolarHBondContact O-N 3.34Å; A223-I225 PolarHBondContact O-N 2.9Å; I225-V227 VanDerWaalsContact C-N 3.31Å; I225-V227 PolarHBondContact O-N 2.96Å; I225-C228 PolarHBondContact O-N 3.18Å; I225-V229 HydrophobicContact CG2-CG2 4.17Å; I225-V229 WeakPolarHBondContact O-CG2 3.36Å; I225-V229 PolarHBondContact O-N 3.17Å |
| 226 | A | 86.8 | Confident | 84.5 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F222 A223 V229 G230 | F222-A226 WeakPolarHBondContact O-CB 3.23Å; F222-A226 PolarHBondContact O-N 2.91Å; A223-A226 PolarHBondContact O-N 3.22Å; A226-V229 PolarHBondContact O-N 2.85Å; A226-G230 PolarHBondContact O-N 2.89Å |
| 227 | V | 88.4 | Confident | 85.7 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63 | -47.7 | 172.8 | 168.6 | 0 | 0 | 0 | 0 | 111 | A223 G224 I225 V229 G230 M231 F275 W301 | A223-V227 WeakPolarHBondContact O-CG2 3.33Å; A223-V227 PolarHBondContact O-N 3.46Å; G224-V227 PolarHBondContact O-N 2.99Å; I225-V227 VanDerWaalsContact C-N 3.31Å; I225-V227 PolarHBondContact O-N 2.96Å; V227-V229 PolarHBondContact O-N 3.02Å; V227-G230 PolarHBondContact O-N 2.96Å; V227-M231 HydrophobicContact CG1-SD 3.54Å; V227-M231 VanDerWaalsContact CG1-SD 3.54Å; V227-M231 WeakPolarHBondContact O-CB 3.38Å; V227-M231 VanDerWaalsContact O-CG 3.3Å; V227-M231 WeakPolarHBondContact O-CG 3.39Å; V227-M231 PolarHBondContact O-N 2.6Å; V227-F275 HydrophobicContact CG1-CE2 4.43Å; V227-W301 HydrophobicContact CB-CH2 4.27Å; V227-W301 HydrophobicContact CG1-CH2 4.12Å; V227-W301 HydrophobicContact CG1-CZ2 4.34Å |
| 228 | C | 89.4 | Confident | 87.1 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 31% | 0.311 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 175.6 | -73.5 | 0 | 0 | 0 | 0 | 113 | G224 I225 M231 I232 W301 | G224-C228 PolarHBondContact O-N 3.34Å; I225-C228 PolarHBondContact O-N 3.18Å; C228-M231 PolarHBondContact O-N 2.67Å; C228-I232 WeakPolarHBondContact O-CD1 3.37Å; C228-I232 VanDerWaalsContact O-CG1 3.25Å; C228-I232 WeakPolarHBondContact O-CG1 3.49Å; C228-I232 PolarHBondContact O-N 2.97Å; C228-W301 WeakPolarHBondContact SG-CZ3 3.36Å |
| 229 | V | 91.8 | Very high | 88.1 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | I225 A226 V227 M231 I232 S233 | I225-V229 HydrophobicContact CG2-CG2 4.17Å; I225-V229 WeakPolarHBondContact O-CG2 3.36Å; I225-V229 PolarHBondContact O-N 3.17Å; A226-V229 PolarHBondContact O-N 2.85Å; V227-V229 PolarHBondContact O-N 3.02Å; V229-M231 VanDerWaalsContact C-N 3.27Å; V229-M231 PolarHBondContact O-N 2.64Å; V229-I232 PolarHBondContact O-N 2.66Å; V229-S233 WeakPolarHBondContact O-CB 3.26Å; V229-S233 PolarHBondContact O-N 3.15Å; V229-S233 PolarHBondContact O-OG 3.03Å |
| 230 | G | 93.3 | Very high | 88.8 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.3 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A226 V227 S233 T234 | A226-G230 PolarHBondContact O-N 2.89Å; V227-G230 PolarHBondContact O-N 2.96Å; G230-S233 PolarHBondContact O-N 2.68Å; G230-T234 VanDerWaalsContact O-CB 3.26Å; G230-T234 WeakPolarHBondContact O-CB 3.35Å; G230-T234 PolarHBondContact O-N 3.27Å; G230-T234 PolarHBondContact O-OG1 3.31Å |
| 231 | M | 94.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 178.2 | -75.6 | 158.6 | 50.7 | 0 | 0 | 113.3 | V227 C228 V229 F235 I271 I305 F308 Y312 | V227-M231 HydrophobicContact CG1-SD 3.54Å; V227-M231 VanDerWaalsContact CG1-SD 3.54Å; V227-M231 WeakPolarHBondContact O-CB 3.38Å; V227-M231 VanDerWaalsContact O-CG 3.3Å; V227-M231 WeakPolarHBondContact O-CG 3.39Å; V227-M231 PolarHBondContact O-N 2.6Å; C228-M231 PolarHBondContact O-N 2.67Å; V229-M231 VanDerWaalsContact C-N 3.27Å; V229-M231 PolarHBondContact O-N 2.64Å; M231-F235 WeakPolarHBondContact O-CB 3.43Å; M231-F235 PolarHBondContact O-N 3Å; M231-I271 HydrophobicContact CG-CD1 4.11Å; M231-I271 HydrophobicContact SD-CD1 4.35Å; M231-I305 HydrophobicContact CE-CB 4.45Å; M231-I305 HydrophobicContact CE-CG1 4.05Å; M231-I305 HydrophobicContact SD-CG1 4.38Å; M231-F308 HydrophobicContact CB-CD1 4.27Å; M231-F308 HydrophobicContact CB-CG 4.21Å; M231-F308 HydrophobicContact CE-CB 3.63Å; M231-F308 HydrophobicContact CE-CD2 3.45Å; M231-F308 VanDerWaalsContact CE-CD2 3.45Å; M231-F308 HydrophobicContact CE-CE2 4.32Å; M231-F308 HydrophobicContact CE-CG 3.71Å; M231-Y312 VanDerWaalsContact C-OH 3.28Å; M231-Y312 WeakPolarHBondContact CA-OH 3.29Å; M231-Y312 WeakPolarHBondContact CB-OH 3.3Å; M231-Y312 PolarHBondContact O-OH 2.92Å |
| 232 | I | 94.1 | Very high | 90.6 | Very high | 90 Ų | 90 | 46.8 Ų | 46.8 | 46% | 0.462 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.8 | -47 | 176 | -69.6 | 161.1 | 0 | 0 | 0 | 110.4 | C228 V229 F235 A236 F308 | C228-I232 WeakPolarHBondContact O-CD1 3.37Å; C228-I232 VanDerWaalsContact O-CG1 3.25Å; C228-I232 WeakPolarHBondContact O-CG1 3.49Å; C228-I232 PolarHBondContact O-N 2.97Å; V229-I232 PolarHBondContact O-N 2.66Å; I232-F235 PolarHBondContact O-N 3.06Å; I232-A236 WeakPolarHBondContact O-CB 3.33Å; I232-A236 PolarHBondContact O-N 3.28Å; I232-F308 HydrophobicContact CG1-CE1 4.1Å; I232-F308 HydrophobicContact CG1-CE2 4.39Å; I232-F308 HydrophobicContact CG1-CZ 3.57Å |
| 233 | S | 95 | Very high | 91 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 47% | 0.469 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 177.6 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | V229 G230 F235 A236 Y237 | V229-S233 WeakPolarHBondContact O-CB 3.26Å; V229-S233 PolarHBondContact O-N 3.15Å; V229-S233 PolarHBondContact O-OG 3.03Å; G230-S233 PolarHBondContact O-N 2.68Å; S233-F235 VanDerWaalsContact C-N 3.32Å; S233-F235 PolarHBondContact O-N 2.82Å; S233-A236 PolarHBondContact O-N 2.91Å; S233-Y237 WeakPolarHBondContact O-CB 3.14Å; S233-Y237 PolarHBondContact O-N 3.06Å |
| 234 | T | 96.4 | Very high | 91.4 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 174.7 | -70.8 | 0 | 0 | 0 | 0 | 111.6 | G230 A238 F263 L264 N267 Y312 | G230-T234 VanDerWaalsContact O-CB 3.26Å; G230-T234 WeakPolarHBondContact O-CB 3.35Å; G230-T234 PolarHBondContact O-N 3.27Å; G230-T234 PolarHBondContact O-OG1 3.31Å; T234-A238 VanDerWaalsContact O-CB 3.25Å; T234-A238 WeakPolarHBondContact O-CB 3.35Å; T234-A238 PolarHBondContact O-N 3.45Å; T234-F263 HydrophobicContact CG2-CE1 3.85Å; T234-F263 HydrophobicContact CG2-CZ 4.32Å; T234-L264 HydrophobicContact CG2-CD2 4Å; T234-N267 HydrophobicContact CG2-CB 4.38Å; T234-Y312 HydrophobicContact CG2-CD1 4.45Å; T234-Y312 HydrophobicContact CG2-CE1 3.76Å; T234-Y312 HydrophobicContact CG2-CE2 4.42Å |
| 235 | F | 96 | Very high | 91.8 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -52 | 175 | 168.6 | -104.9 | 0 | 0 | 0 | 112.2 | M231 I232 S233 Y237 A238 N239 F308 K311 Y312 I315 T477 A479 | M231-F235 WeakPolarHBondContact O-CB 3.43Å; M231-F235 PolarHBondContact O-N 3Å; I232-F235 PolarHBondContact O-N 3.06Å; S233-F235 VanDerWaalsContact C-N 3.32Å; S233-F235 PolarHBondContact O-N 2.82Å; F235-Y237 VanDerWaalsContact C-N 3.34Å; F235-Y237 PolarHBondContact O-N 3.23Å; F235-A238 PolarHBondContact O-N 3.36Å; F235-N239 HydrophobicContact CE2-CB 4.3Å; F235-N239 HydrophobicContact CZ-CB 4.42Å; F235-N239 WeakPolarHBondContact O-CB 3.46Å; F235-N239 PolarHBondContact O-N 2.85Å; F235-F308 HydrophobicContact CB-CD1 4.16Å; F235-F308 HydrophobicContact CB-CE1 4.03Å; F235-F308 HydrophobicContact CG-CE1 4.4Å; F235-K311 HydrophobicContact CD2-CB 3.85Å; F235-K311 HydrophobicContact CD2-CD 4.01Å; F235-K311 HydrophobicContact CD2-CG 4.16Å; F235-K311 HydrophobicContact CE2-CB 4.04Å; F235-K311 HydrophobicContact CE2-CD 3.98Å; F235-K311 HydrophobicContact CE2-CG 3.96Å; F235-K311 HydrophobicContact CZ-CD 4.47Å; F235-Y312 HydrophobicContact CB-CE1 3.99Å; F235-I315 HydrophobicContact CD2-CD1 3.89Å; F235-I315 HydrophobicContact CE2-CD1 4Å; F235-T477 HydrophobicContact CE2-CG2 4.02Å; F235-A479 HydrophobicContact CE1-CB 3.88Å; F235-A479 HydrophobicContact CZ-CB 4.25Å |
| 236 | A | 93.9 | Very high | 91.9 | Very high | 52 Ų | 52 | 45.6 Ų | 45.6 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I232 S233 S240 | I232-A236 WeakPolarHBondContact O-CB 3.33Å; I232-A236 PolarHBondContact O-N 3.28Å; S233-A236 PolarHBondContact O-N 2.91Å; A236-S240 VanDerWaalsContact O-CB 3.26Å; A236-S240 WeakPolarHBondContact O-CB 3.4Å; A236-S240 PolarHBondContact O-N 3.47Å; A236-S240 PolarHBondContact O-OG 3.44Å |
| 237 | Y | 95.6 | Very high | 91.8 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 40% | 0.4 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.1 | -56.2 | 175.6 | 174.5 | -100.9 | 0 | 0 | 0 | 111.6 | S233 F235 N239 S240 T241 W259 F263 | S233-Y237 WeakPolarHBondContact O-CB 3.14Å; S233-Y237 PolarHBondContact O-N 3.06Å; F235-Y237 VanDerWaalsContact C-N 3.34Å; F235-Y237 PolarHBondContact O-N 3.23Å; Y237-N239 PolarHBondContact O-N 3.18Å; Y237-S240 PolarHBondContact O-N 2.9Å; Y237-S240 PolarHBondContact O-OG 3.15Å; Y237-T241 PolarHBondContact O-N 2.84Å; Y237-T241 PolarHBondContact O-OG1 2.93Å; Y237-W259 AromaticContact CE1-CH2 3.45Å; Y237-W259 HydrophobicContact CE1-CH2 3.45Å; Y237-W259 VanDerWaalsContact CE1-CH2 3.45Å; Y237-W259 AromaticContact CE1-CZ3 3.45Å; Y237-W259 HydrophobicContact CE1-CZ3 3.45Å; Y237-W259 VanDerWaalsContact CE1-CZ3 3.45Å; Y237-W259 AromaticContact CZ-CH2 3.71Å; Y237-W259 AromaticContact CZ-CZ3 3.7Å; Y237-W259 WeakPolarHBondContact OH-CH2 3.44Å; Y237-W259 WeakPolarHBondContact OH-CZ3 3.27Å; Y237-F263 AromaticContact CD1-CE1 3.99Å; Y237-F263 HydrophobicContact CD1-CE1 3.99Å; Y237-F263 HydrophobicContact CE1-CD1 4.5Å; Y237-F263 HydrophobicContact CE1-CE1 4.29Å |
| 238 | A | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T234 F235 F242 I260 L264 I315 | T234-A238 VanDerWaalsContact O-CB 3.25Å; T234-A238 WeakPolarHBondContact O-CB 3.35Å; T234-A238 PolarHBondContact O-N 3.45Å; F235-A238 PolarHBondContact O-N 3.36Å; A238-F242 WeakPolarHBondContact O-CB 3.43Å; A238-F242 PolarHBondContact O-N 3.25Å; A238-I260 HydrophobicContact CB-CG2 4.38Å; A238-L264 HydrophobicContact CB-CD1 4.13Å; A238-L264 HydrophobicContact CB-CD2 3.72Å; A238-L264 HydrophobicContact CB-CG 4.16Å; A238-I315 HydrophobicContact CB-CD1 4.43Å; A238-I315 HydrophobicContact CB-CG2 4.43Å |
| 239 | N | 94.3 | Very high | 91 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 177.9 | -167.9 | 28.7 | 0 | 0 | 0 | 111.5 | F235 Y237 K243 I315 T477 | F235-N239 HydrophobicContact CE2-CB 4.3Å; F235-N239 HydrophobicContact CZ-CB 4.42Å; F235-N239 WeakPolarHBondContact O-CB 3.46Å; F235-N239 PolarHBondContact O-N 2.85Å; Y237-N239 PolarHBondContact O-N 3.18Å; N239-K243 VanDerWaalsContact O-CB 3.28Å; N239-K243 WeakPolarHBondContact O-CB 3.04Å; N239-K243 PolarHBondContact O-N 3.27Å; N239-I315 HydrophobicContact CB-CD1 3.99Å; N239-T477 PolarHBondContact ND2-O 3.01Å; N239-T477 VanDerWaalsContact ND2-O 3.09Å; N239-T477 PolarHBondContact OD1-N 2.98Å |
| 240 | S | 90.7 | Very high | 90.2 | Very high | 67 Ų | 67 | 51.5 Ų | 51.5 | 47% | 0.469 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 177.6 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | A236 Y237 K243 H244 | A236-S240 VanDerWaalsContact O-CB 3.26Å; A236-S240 WeakPolarHBondContact O-CB 3.4Å; A236-S240 PolarHBondContact O-N 3.47Å; A236-S240 PolarHBondContact O-OG 3.44Å; Y237-S240 PolarHBondContact O-N 2.9Å; Y237-S240 PolarHBondContact O-OG 3.15Å; S240-K243 PolarHBondContact O-N 3.47Å; S240-H244 WeakPolarHBondContact O-CB 3.42Å; S240-H244 PolarHBondContact O-N 2.86Å |
| 241 | T | 92.3 | Very high | 89.6 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.9 | -47.6 | 0 | 0 | 0 | 0 | 111.4 | Y237 H244 Q245 V256 I260 | Y237-T241 PolarHBondContact O-N 2.84Å; Y237-T241 PolarHBondContact O-OG1 2.93Å; T241-H244 PolarHBondContact O-N 3.49Å; T241-Q245 WeakPolarHBondContact O-CG 3.3Å; T241-Q245 PolarHBondContact O-N 3.46Å; T241-V256 HydrophobicContact CG2-CG1 3.82Å; T241-I260 HydrophobicContact CG2-CD1 3.85Å; T241-I260 HydrophobicContact CG2-CG1 4.46Å |
| 242 | F | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -48.4 | 174.7 | 175.7 | -106.6 | 0 | 0 | 0 | 111.8 | A238 H244 Q245 V246 I315 K318 C319 L322 Y338 G475 | A238-F242 WeakPolarHBondContact O-CB 3.43Å; A238-F242 PolarHBondContact O-N 3.25Å; F242-H244 VanDerWaalsContact C-N 3.27Å; F242-H244 PolarHBondContact O-N 3.47Å; F242-Q245 PolarHBondContact O-N 3.31Å; F242-Q245 VanDerWaalsContact O-N 3.1Å; F242-V246 HydrophobicContact CD1-CG2 4.28Å; F242-V246 HydrophobicContact CD2-CG2 4.39Å; F242-V246 HydrophobicContact CE1-CG2 3.7Å; F242-V246 HydrophobicContact CE2-CG2 3.84Å; F242-V246 HydrophobicContact CZ-CG2 3.42Å; F242-V246 VanDerWaalsContact CZ-CG2 3.42Å; F242-V246 WeakPolarHBondContact O-CG2 3.39Å; F242-V246 PolarHBondContact O-N 2.87Å; F242-I315 HydrophobicContact CB-CG2 4.18Å; F242-I315 HydrophobicContact CG-CG2 4.42Å; F242-K318 HydrophobicContact CE1-CB 3.72Å; F242-K318 HydrophobicContact CE1-CD 3.94Å; F242-K318 HydrophobicContact CE1-CG 4.45Å; F242-K318 HydrophobicContact CE2-CB 4.08Å; F242-K318 HydrophobicContact CZ-CB 3.47Å; F242-K318 VanDerWaalsContact CZ-CB 3.47Å; F242-K318 HydrophobicContact CZ-CD 4.48Å; F242-C319 WeakPolarHBondContact CD2-SG 3.09Å; F242-L322 HydrophobicContact CD2-CD1 4.05Å; F242-L322 HydrophobicContact CE2-CD1 3.68Å; F242-L322 HydrophobicContact CE2-CD2 4.38Å; F242-L322 HydrophobicContact CE2-CG 4.01Å; F242-Y338 HydrophobicContact CZ-CD1 4.42Å; F242-Y338 HydrophobicContact CZ-CE1 4.03Å; F242-G475 WeakPolarHBondContact CE1-O 3.34Å |
| 243 | K | 88.6 | Confident | 88.9 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 39% | 0.391 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.8 | -41.6 | 175.7 | -177.2 | 173.3 | -170.5 | 151.9 | 0 | 111.9 | N239 S240 V246 S247 D474 T476 | N239-K243 VanDerWaalsContact O-CB 3.28Å; N239-K243 WeakPolarHBondContact O-CB 3.04Å; N239-K243 PolarHBondContact O-N 3.27Å; S240-K243 PolarHBondContact O-N 3.47Å; K243-V246 PolarHBondContact O-N 3.27Å; K243-S247 PolarHBondContact O-N 2.86Å; K243-D474 VanDerWaalsContact CE-OD2 3.22Å; K243-D474 WeakPolarHBondContact CE-OD2 3.3Å; K243-D474 IonicContact NZ-OD2 3.59Å; K243-D474 PolarHBondContact NZ-OD2 3.24Å; K243-T476 PolarHBondContact NZ-OG1 2.84Å |
| 244 | H | 87.3 | Confident | 88.5 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 47% | 0.468 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 174.7 | -177.2 | 51.3 | 0 | 0 | 0 | 111.9 | S240 T241 F242 V246 S247 L248 | S240-H244 WeakPolarHBondContact O-CB 3.42Å; S240-H244 PolarHBondContact O-N 2.86Å; T241-H244 PolarHBondContact O-N 3.49Å; F242-H244 VanDerWaalsContact C-N 3.27Å; F242-H244 PolarHBondContact O-N 3.47Å; H244-V246 VanDerWaalsContact C-N 3.3Å; H244-V246 PolarHBondContact O-N 2.9Å; H244-S247 WeakPolarHBondContact O-CB 3.44Å; H244-S247 PolarHBondContact O-N 2.81Å; H244-S247 PolarHBondContact O-OG 3.49Å; H244-L248 WeakPolarHBondContact O-CG 3.4Å; H244-L248 PolarHBondContact O-N 2.97Å; H244-L248 VanDerWaalsContact O-N 3.16Å |
| 245 | Q | 88.6 | Confident | 88.3 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 7% | 0.065 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -33.4 | 175.1 | -67.5 | -56.8 | -45.7 | 0 | 0 | 113.4 | T241 F242 R252 V256 | T241-Q245 WeakPolarHBondContact O-CG 3.3Å; T241-Q245 PolarHBondContact O-N 3.46Å; F242-Q245 PolarHBondContact O-N 3.31Å; F242-Q245 VanDerWaalsContact O-N 3.1Å; Q245-R252 WeakPolarHBondContact O-CB 3.43Å; Q245-V256 HydrophobicContact CG-CB 4.3Å; Q245-V256 HydrophobicContact CG-CG1 3.79Å |
| 246 | V | 86.4 | Confident | 88.1 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -39 | 171.2 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | F242 K243 H244 L248 R249 L322 Y338 | F242-V246 HydrophobicContact CD1-CG2 4.28Å; F242-V246 HydrophobicContact CD2-CG2 4.39Å; F242-V246 HydrophobicContact CE1-CG2 3.7Å; F242-V246 HydrophobicContact CE2-CG2 3.84Å; F242-V246 HydrophobicContact CZ-CG2 3.42Å; F242-V246 VanDerWaalsContact CZ-CG2 3.42Å; F242-V246 WeakPolarHBondContact O-CG2 3.39Å; F242-V246 PolarHBondContact O-N 2.87Å; K243-V246 PolarHBondContact O-N 3.27Å; H244-V246 VanDerWaalsContact C-N 3.3Å; H244-V246 PolarHBondContact O-N 2.9Å; V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 PolarHBondContact O-N 3.3Å; V246-R249 PolarHBondContact O-N 2.83Å; V246-L322 HydrophobicContact CG2-CD2 4.47Å; V246-Y338 HydrophobicContact CG1-CE2 3.9Å; V246-Y338 HydrophobicContact CG2-CE2 3.9Å |
| 247 | S | 83.7 | Confident | 87.9 | Confident | 75 Ų | 75 | 62.8 Ų | 62.8 | 52% | 0.524 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.5 | -28.8 | 179.3 | 76.9 | 0 | 0 | 0 | 0 | 114.3 | K243 H244 R249 | K243-S247 PolarHBondContact O-N 2.86Å; H244-S247 WeakPolarHBondContact O-CB 3.44Å; H244-S247 PolarHBondContact O-N 2.81Å; H244-S247 PolarHBondContact O-OG 3.49Å; S247-R249 VanDerWaalsContact C-N 3.31Å; S247-R249 PolarHBondContact O-N 3.46Å |
| 248 | L | 81.8 | Confident | 87.8 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -10.8 | 179.2 | -67.4 | 172.6 | 0 | 0 | 0 | 114.5 | H244 V246 E250 E251 | H244-L248 WeakPolarHBondContact O-CG 3.4Å; H244-L248 PolarHBondContact O-N 2.97Å; H244-L248 VanDerWaalsContact O-N 3.16Å; V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 PolarHBondContact O-N 3.3Å; L248-E250 PolarHBondContact O-N 3.2Å; L248-E251 PolarHBondContact O-N 3.38Å |
| 249 | R | 80 | Confident | 87.8 | Confident | 89 Ų | 89 | 67.8 Ų | 67.8 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -93.2 | 174.4 | -60.9 | -177 | -178.1 | -121.1 | -11.6 | 115.6 | V246 S247 R252 D453 | V246-R249 PolarHBondContact O-N 2.83Å; S247-R249 VanDerWaalsContact C-N 3.31Å; S247-R249 PolarHBondContact O-N 3.46Å; R249-R252 WeakPolarHBondContact O-CD 3.39Å; R249-R252 VanDerWaalsContact O-CG 3.29Å; R249-R252 WeakPolarHBondContact O-CG 3.25Å; R249-D453 IonicContact CZ-OD2 3.78Å; R249-D453 IonicContact NH2-OD2 2.65Å; R249-D453 PolarHBondContact NH2-OD2 3.22Å |
| 250 | E | 75.5 | Confident | 87.8 | Confident | 130 Ų | 130 | 66.8 Ų | 66.8 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -28.8 | -177.3 | -59.8 | -136.6 | 118.9 | 0 | 0 | 112 | L248 R252 K326 F331 | L248-E250 PolarHBondContact O-N 3.2Å; E250-R252 PolarHBondContact O-N 3.33Å; E250-K326 IonicContact OE1-NZ 2.61Å; E250-K326 PolarHBondContact OE1-NZ 3.24Å; E250-F331 HydrophobicContact CG-CE1 4.2Å; E250-F331 HydrophobicContact CG-CZ 4.34Å |
| 251 | E | 80.4 | Confident | 88 | Confident | 167 Ų | 167 | 66.4 Ų | 66.4 | 78% | 0.78 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -82.2 | 5.8 | 178.1 | -59.5 | -177.2 | 171.8 | 0 | 0 | 113.4 | L248 | L248-E251 PolarHBondContact O-N 3.38Š|
| 252 | R | 82.9 | Confident | 88.2 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 17% | 0.17 | 35% | 0.354 | C | S | . | . | trans | -60.1 | 138.3 | -179.8 | 66.4 | -175.9 | 178.5 | 151.6 | 18.2 | 111.9 | Q245 R249 E250 L322 | Q245-R252 WeakPolarHBondContact O-CB 3.43Å; R249-R252 WeakPolarHBondContact O-CD 3.39Å; R249-R252 VanDerWaalsContact O-CG 3.29Å; R249-R252 WeakPolarHBondContact O-CG 3.25Å; E250-R252 PolarHBondContact O-N 3.33Å; R252-L322 VanDerWaalsContact NH1-CA 3.32Å; R252-L322 PolarHBondContact NH1-O 2.92Å; R252-L322 PolarHBondContact NH2-O 2.96Å | ||
| 253 | S | 89.1 | Confident | 88.4 | Confident | 45 Ų | 45 | 74.5 Ų | 74.5 | 32% | 0.315 | 37% | 0.367 | S | S | . | . | trans | -89.9 | 113.4 | 177.1 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | L255 V256 A257 | S253-L255 PolarHBondContact O-N 2.85Å; S253-L255 PolarHBondContact OG-N 3.39Å; S253-V256 PolarHBondContact O-N 3.04Å; S253-V256 PolarHBondContact OG-N 3.31Å; S253-A257 PolarHBondContact O-N 3.44Å | ||
| 254 | I | 87.8 | Confident | 88.8 | Confident | 88 Ų | 88 | 70.4 Ų | 70.4 | 45% | 0.451 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -33.3 | 173.2 | -61.3 | 178 | 0 | 0 | 0 | 110.7 | A257 L258 F323 | I254-A257 PolarHBondContact O-N 3.49Å; I254-L258 PolarHBondContact O-N 2.91Å; I254-F323 HydrophobicContact CG2-CD1 3.8Å; I254-F323 HydrophobicContact CG2-CE1 3.41Å; I254-F323 VanDerWaalsContact CG2-CE1 3.41Å; I254-F323 HydrophobicContact CG2-CZ 4.28Å |
| 255 | L | 91 | Very high | 89.2 | Confident | 131 Ų | 131 | 67 Ų | 67 | 69% | 0.686 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | 176.5 | -62.1 | 177.6 | 0 | 0 | 0 | 112 | S253 L258 W259 | S253-L255 PolarHBondContact O-N 2.85Å; S253-L255 PolarHBondContact OG-N 3.39Å; L255-L258 HydrophobicContact CD2-CD1 4.34Å; L255-L258 PolarHBondContact O-N 3.3Å; L255-W259 WeakPolarHBondContact O-CB 3.5Å; L255-W259 PolarHBondContact O-N 3.45Å |
| 256 | V | 92.3 | Very high | 89.5 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 26% | 0.261 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | T241 Q245 S253 W259 I260 | T241-V256 HydrophobicContact CG2-CG1 3.82Å; Q245-V256 HydrophobicContact CG-CB 4.3Å; Q245-V256 HydrophobicContact CG-CG1 3.79Å; S253-V256 PolarHBondContact O-N 3.04Å; S253-V256 PolarHBondContact OG-N 3.31Å; V256-W259 PolarHBondContact O-N 3.2Å; V256-I260 HydrophobicContact CG1-CD1 4.07Å; V256-I260 HydrophobicContact CG1-CG1 4.5Å; V256-I260 VanDerWaalsContact O-CG1 3.3Å; V256-I260 WeakPolarHBondContact O-CG1 3.42Å; V256-I260 PolarHBondContact O-N 3.48Å |
| 257 | A | 91.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S253 I254 I260 I261 L322 F323 | S253-A257 PolarHBondContact O-N 3.44Å; I254-A257 PolarHBondContact O-N 3.49Å; A257-I260 PolarHBondContact O-N 3.37Å; A257-I261 WeakPolarHBondContact O-CG1 3.47Å; A257-I261 PolarHBondContact O-N 3.49Å; A257-I261 VanDerWaalsContact O-N 3.1Å; A257-L322 HydrophobicContact CB-CB 4.4Å; A257-L322 HydrophobicContact CB-CD1 3.75Å; A257-F323 HydrophobicContact CB-CE2 3.97Å; A257-F323 HydrophobicContact CB-CZ 3.88Å |
| 258 | L | 92.8 | Very high | 90.4 | Very high | 89 Ų | 89 | 66.3 Ų | 66.3 | 47% | 0.466 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 174 | -77.1 | 172.2 | 0 | 0 | 0 | 111 | I254 L255 I260 I261 L262 F323 | I254-L258 PolarHBondContact O-N 2.91Å; L255-L258 HydrophobicContact CD2-CD1 4.34Å; L255-L258 PolarHBondContact O-N 3.3Å; L258-I260 PolarHBondContact O-N 2.89Å; L258-I261 PolarHBondContact O-N 3.02Å; L258-L262 PolarHBondContact O-N 2.87Å; L258-F323 HydrophobicContact CB-CZ 4.32Å; L258-F323 HydrophobicContact CD1-CE1 4.33Å; L258-F323 HydrophobicContact CD2-CD1 4.46Å; L258-F323 HydrophobicContact CD2-CE1 3.36Å; L258-F323 HydrophobicContact CD2-CZ 3.44Å; L258-F323 VanDerWaalsContact CD2-CZ 3.44Å; L258-F323 HydrophobicContact CG-CE1 3.49Å; L258-F323 VanDerWaalsContact CG-CE1 3.49Å; L258-F323 HydrophobicContact CG-CZ 3.56Å |
| 259 | W | 95.2 | Very high | 90.9 | Very high | 119 Ų | 119 | 68.6 Ų | 68.6 | 45% | 0.451 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | -178.9 | -179.5 | 89.9 | 0 | 0 | 0 | 111.7 | Y237 L255 V256 L262 F263 | Y237-W259 AromaticContact CE1-CH2 3.45Å; Y237-W259 HydrophobicContact CE1-CH2 3.45Å; Y237-W259 VanDerWaalsContact CE1-CH2 3.45Å; Y237-W259 AromaticContact CE1-CZ3 3.45Å; Y237-W259 HydrophobicContact CE1-CZ3 3.45Å; Y237-W259 VanDerWaalsContact CE1-CZ3 3.45Å; Y237-W259 AromaticContact CZ-CH2 3.71Å; Y237-W259 AromaticContact CZ-CZ3 3.7Å; Y237-W259 WeakPolarHBondContact OH-CH2 3.44Å; Y237-W259 WeakPolarHBondContact OH-CZ3 3.27Å; L255-W259 WeakPolarHBondContact O-CB 3.5Å; L255-W259 PolarHBondContact O-N 3.45Å; V256-W259 PolarHBondContact O-N 3.2Å; W259-L262 PolarHBondContact O-N 2.93Å; W259-F263 HydrophobicContact CH2-CB 4.5Å; W259-F263 HydrophobicContact CH2-CD1 4.41Å; W259-F263 HydrophobicContact CH2-CG 4.25Å; W259-F263 HydrophobicContact CZ2-CB 4.45Å; W259-F263 HydrophobicContact CZ2-CD2 4.38Å; W259-F263 HydrophobicContact CZ2-CG 4.37Å; W259-F263 WeakPolarHBondContact O-CB 3.2Å; W259-F263 PolarHBondContact O-N 3.23Å |
| 260 | I | 95.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 171.1 | -67.6 | 164.7 | 0 | 0 | 0 | 111.1 | A238 T241 V256 A257 L258 F263 L264 I315 | A238-I260 HydrophobicContact CB-CG2 4.38Å; T241-I260 HydrophobicContact CG2-CD1 3.85Å; T241-I260 HydrophobicContact CG2-CG1 4.46Å; V256-I260 HydrophobicContact CG1-CD1 4.07Å; V256-I260 HydrophobicContact CG1-CG1 4.5Å; V256-I260 VanDerWaalsContact O-CG1 3.3Å; V256-I260 WeakPolarHBondContact O-CG1 3.42Å; V256-I260 PolarHBondContact O-N 3.48Å; A257-I260 PolarHBondContact O-N 3.37Å; L258-I260 PolarHBondContact O-N 2.89Å; I260-F263 PolarHBondContact O-N 3.49Å; I260-L264 HydrophobicContact CG2-CD1 3.76Å; I260-L264 HydrophobicContact CG2-CG 4.22Å; I260-L264 WeakPolarHBondContact O-CB 3.12Å; I260-L264 VanDerWaalsContact O-CG 3.28Å; I260-L264 WeakPolarHBondContact O-CG 3.46Å; I260-L264 PolarHBondContact O-N 3.4Å; I260-I315 HydrophobicContact CG2-CG2 4.3Å |
| 261 | I | 94.8 | Very high | 92.1 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 178.2 | -70.7 | 175.5 | 0 | 0 | 0 | 110.9 | A257 L258 G265 C319 F323 | A257-I261 WeakPolarHBondContact O-CG1 3.47Å; A257-I261 PolarHBondContact O-N 3.49Å; A257-I261 VanDerWaalsContact O-N 3.1Å; L258-I261 PolarHBondContact O-N 3.02Å; I261-G265 PolarHBondContact O-N 3.29Å; I261-C319 HydrophobicContact CD1-CB 3.72Å; I261-C319 HydrophobicContact CG1-CB 3.56Å; I261-F323 HydrophobicContact CD1-CD2 4.4Å; I261-F323 HydrophobicContact CD1-CE2 3.6Å; I261-F323 HydrophobicContact CD1-CZ 4.28Å |
| 262 | L | 95.7 | Very high | 92.4 | Very high | 130 Ų | 130 | 59.5 Ų | 59.5 | 68% | 0.681 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 179 | -178.9 | 62.8 | 0 | 0 | 0 | 111.7 | L258 W259 G265 G266 | L258-L262 PolarHBondContact O-N 2.87Å; W259-L262 PolarHBondContact O-N 2.93Å; L262-G265 PolarHBondContact O-N 3.32Å; L262-G266 PolarHBondContact O-N 2.75Å |
| 263 | F | 96.3 | Very high | 92.6 | Very high | 65 Ų | 65 | 65.9 Ų | 65.9 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 178.3 | 178.1 | -113.3 | 0 | 0 | 0 | 111.6 | T234 Y237 W259 I260 G266 N267 | T234-F263 HydrophobicContact CG2-CE1 3.85Å; T234-F263 HydrophobicContact CG2-CZ 4.32Å; Y237-F263 AromaticContact CD1-CE1 3.99Å; Y237-F263 HydrophobicContact CD1-CE1 3.99Å; Y237-F263 HydrophobicContact CE1-CD1 4.5Å; Y237-F263 HydrophobicContact CE1-CE1 4.29Å; W259-F263 HydrophobicContact CH2-CB 4.5Å; W259-F263 HydrophobicContact CH2-CD1 4.41Å; W259-F263 HydrophobicContact CH2-CG 4.25Å; W259-F263 HydrophobicContact CZ2-CB 4.45Å; W259-F263 HydrophobicContact CZ2-CD2 4.38Å; W259-F263 HydrophobicContact CZ2-CG 4.37Å; W259-F263 WeakPolarHBondContact O-CB 3.2Å; W259-F263 PolarHBondContact O-N 3.23Å; I260-F263 PolarHBondContact O-N 3.49Å; F263-G266 PolarHBondContact O-N 2.98Å; F263-N267 WeakPolarHBondContact CE2-ND2 3.42Å; F263-N267 PolarHBondContact O-N 3.01Å; F263-N267 PolarHBondContact O-ND2 2.96Å |
| 264 | L | 96.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 175.9 | -70.9 | 178.4 | 0 | 0 | 0 | 111.9 | T234 A238 I260 G266 N267 I268 Y312 I315 | T234-L264 HydrophobicContact CG2-CD2 4Å; A238-L264 HydrophobicContact CB-CD1 4.13Å; A238-L264 HydrophobicContact CB-CD2 3.72Å; A238-L264 HydrophobicContact CB-CG 4.16Å; I260-L264 HydrophobicContact CG2-CD1 3.76Å; I260-L264 HydrophobicContact CG2-CG 4.22Å; I260-L264 WeakPolarHBondContact O-CB 3.12Å; I260-L264 VanDerWaalsContact O-CG 3.28Å; I260-L264 WeakPolarHBondContact O-CG 3.46Å; I260-L264 PolarHBondContact O-N 3.4Å; L264-G266 PolarHBondContact O-N 3.31Å; L264-N267 PolarHBondContact O-N 3.17Å; L264-I268 VanDerWaalsContact O-CG1 3.3Å; L264-I268 WeakPolarHBondContact O-CG1 3.33Å; L264-I268 PolarHBondContact O-N 2.87Å; L264-Y312 HydrophobicContact CD2-CD1 3.64Å; L264-Y312 HydrophobicContact CD2-CE1 4.32Å; L264-Y312 HydrophobicContact CD2-CG 3.9Å; L264-I315 HydrophobicContact CD1-CB 3.81Å; L264-I315 HydrophobicContact CD1-CG2 3.66Å |
| 265 | G | 95.9 | Very high | 91.8 | Very high | 30 Ų | 30 | 64.3 Ų | 64.3 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I261 L262 N267 I268 V269 | I261-G265 PolarHBondContact O-N 3.29Å; L262-G265 PolarHBondContact O-N 3.32Å; G265-N267 PolarHBondContact O-N 2.97Å; G265-I268 PolarHBondContact O-N 3.34Å; G265-V269 WeakPolarHBondContact O-CG2 3.49Å; G265-V269 PolarHBondContact O-N 3.46Å |
| 266 | G | 95.4 | Very high | 91 | Very high | 40 Ų | 40 | 61 Ų | 61 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | L262 F263 L264 V269 Y270 | L262-G266 PolarHBondContact O-N 2.75Å; F263-G266 PolarHBondContact O-N 2.98Å; L264-G266 PolarHBondContact O-N 3.31Å; G266-V269 PolarHBondContact O-N 3.29Å; G266-Y270 VanDerWaalsContact O-CB 3.29Å; G266-Y270 WeakPolarHBondContact O-CB 3.43Å; G266-Y270 PolarHBondContact O-N 2.98Å |
| 267 | N | 94.4 | Very high | 89.6 | Confident | 34 Ų | 34 | 67 Ų | 67 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 174.2 | -83.6 | -94.9 | 0 | 0 | 0 | 112.2 | T234 F263 L264 G265 Y270 I271 | T234-N267 HydrophobicContact CG2-CB 4.38Å; F263-N267 WeakPolarHBondContact CE2-ND2 3.42Å; F263-N267 PolarHBondContact O-N 3.01Å; F263-N267 PolarHBondContact O-ND2 2.96Å; L264-N267 PolarHBondContact O-N 3.17Å; G265-N267 PolarHBondContact O-N 2.97Å; N267-Y270 PolarHBondContact O-N 3.08Å; N267-I271 VanDerWaalsContact O-CG1 3.28Å; N267-I271 WeakPolarHBondContact O-CG1 3.33Å; N267-I271 PolarHBondContact O-N 3.06Å |
| 268 | I | 94.1 | Very high | 88.5 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 15% | 0.154 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 175.8 | -65.7 | 164.6 | 0 | 0 | 0 | 110.6 | L264 G265 I271 Y272 V309 Y312 V313 | L264-I268 VanDerWaalsContact O-CG1 3.3Å; L264-I268 WeakPolarHBondContact O-CG1 3.33Å; L264-I268 PolarHBondContact O-N 2.87Å; G265-I268 PolarHBondContact O-N 3.34Å; I268-I271 PolarHBondContact O-N 2.85Å; I268-Y272 HydrophobicContact CG2-CD2 3.71Å; I268-Y272 HydrophobicContact CG2-CE2 3.67Å; I268-Y272 WeakPolarHBondContact O-CD2 3.36Å; I268-Y272 PolarHBondContact O-N 2.85Å; I268-V309 HydrophobicContact CG1-CG1 4.28Å; I268-V309 HydrophobicContact CG2-CG1 4.1Å; I268-Y312 HydrophobicContact CG1-CD2 3.88Å; I268-Y312 HydrophobicContact CG1-CG 4.45Å; I268-V313 HydrophobicContact CD1-CG2 3.93Å |
| 269 | V | 92.9 | Very high | 87.4 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 62% | 0.618 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | G265 G266 I271 Y272 Y273 | G265-V269 WeakPolarHBondContact O-CG2 3.49Å; G265-V269 PolarHBondContact O-N 3.46Å; G266-V269 PolarHBondContact O-N 3.29Å; V269-I271 PolarHBondContact O-N 2.94Å; V269-Y272 PolarHBondContact O-N 2.93Å; V269-Y273 VanDerWaalsContact O-CB 3.25Å; V269-Y273 WeakPolarHBondContact O-CB 3.37Å; V269-Y273 PolarHBondContact O-N 3.41Å |
| 270 | Y | 90.6 | Very high | 86.1 | Confident | 142 Ų | 142 | 64.8 Ų | 64.8 | 56% | 0.557 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.6 | -44 | 176.8 | 175.1 | -99 | 0 | 0 | 0 | 112.4 | G266 N267 Y273 T274 | G266-Y270 VanDerWaalsContact O-CB 3.29Å; G266-Y270 WeakPolarHBondContact O-CB 3.43Å; G266-Y270 PolarHBondContact O-N 2.98Å; N267-Y270 PolarHBondContact O-N 3.08Å; Y270-Y273 PolarHBondContact O-N 3.09Å; Y270-T274 WeakPolarHBondContact O-CB 3.4Å; Y270-T274 PolarHBondContact O-N 3.09Å; Y270-T274 PolarHBondContact O-OG1 2.68Å |
| 271 | I | 89.4 | Confident | 85 | Confident | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.2 | -52.2 | 175.5 | -71.6 | 166.9 | 0 | 0 | 0 | 110.2 | M231 N267 I268 V269 Y273 T274 F275 I305 V309 Y312 | M231-I271 HydrophobicContact CG-CD1 4.11Å; M231-I271 HydrophobicContact SD-CD1 4.35Å; N267-I271 VanDerWaalsContact O-CG1 3.28Å; N267-I271 WeakPolarHBondContact O-CG1 3.33Å; N267-I271 PolarHBondContact O-N 3.06Å; I268-I271 PolarHBondContact O-N 2.85Å; V269-I271 PolarHBondContact O-N 2.94Å; I271-Y273 VanDerWaalsContact C-N 3.32Å; I271-Y273 PolarHBondContact O-N 2.9Å; I271-T274 PolarHBondContact O-N 3.15Å; I271-F275 HydrophobicContact CG2-CD2 4.16Å; I271-F275 VanDerWaalsContact O-CD2 3.3Å; I271-F275 WeakPolarHBondContact O-CD2 3.25Å; I271-F275 PolarHBondContact O-N 3.43Å; I271-I305 HydrophobicContact CG2-CG2 3.58Å; I271-V309 HydrophobicContact CD1-CG2 4.48Å; I271-V309 HydrophobicContact CG2-CG2 4.47Å; I271-Y312 HydrophobicContact CD1-CE2 4.09Å |
| 272 | Y | 87.8 | Confident | 84.1 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 18% | 0.176 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.7 | -26.3 | -178.6 | -74.1 | -51.8 | 0 | 0 | 0 | 114.4 | I268 V269 S276 L280 H281 L284 V309 | I268-Y272 HydrophobicContact CG2-CD2 3.71Å; I268-Y272 HydrophobicContact CG2-CE2 3.67Å; I268-Y272 WeakPolarHBondContact O-CD2 3.36Å; I268-Y272 PolarHBondContact O-N 2.85Å; V269-Y272 PolarHBondContact O-N 2.93Å; Y272-S276 WeakPolarHBondContact O-CA 3.35Å; Y272-S276 WeakPolarHBondContact O-CB 3.28Å; Y272-S276 PolarHBondContact O-N 3.21Å; Y272-S276 VanDerWaalsContact O-N 3.09Å; Y272-L280 HydrophobicContact CD1-CB 4.19Å; Y272-L280 HydrophobicContact CE1-CB 3.83Å; Y272-H281 HydrophobicContact CD1-CB 4.31Å; Y272-H281 HydrophobicContact CE1-CB 4.2Å; Y272-L284 HydrophobicContact CE2-CD1 4.28Å; Y272-L284 WeakPolarHBondContact OH-CD1 3.3Å; Y272-V309 HydrophobicContact CE2-CG1 4.02Å; Y272-V309 HydrophobicContact CE2-CG2 4.37Å |
| 273 | Y | 86.4 | Confident | 82.9 | Confident | 179 Ų | 179 | 62.2 Ų | 62.2 | 70% | 0.702 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.8 | -48.6 | 170.5 | 179.5 | -102.1 | 0 | 0 | 0 | 111.2 | V269 Y270 I271 F275 S276 | V269-Y273 VanDerWaalsContact O-CB 3.25Å; V269-Y273 WeakPolarHBondContact O-CB 3.37Å; V269-Y273 PolarHBondContact O-N 3.41Å; Y270-Y273 PolarHBondContact O-N 3.09Å; I271-Y273 VanDerWaalsContact C-N 3.32Å; I271-Y273 PolarHBondContact O-N 2.9Å; Y273-F275 PolarHBondContact O-N 3.02Å; Y273-S276 VanDerWaalsContact O-CB 3.29Å; Y273-S276 WeakPolarHBondContact O-CB 3.34Å; Y273-S276 PolarHBondContact O-N 2.91Å; Y273-S276 PolarHBondContact O-OG 3.32Å |
| 274 | T | 81.8 | Confident | 81.6 | Confident | 61 Ų | 61 | 61 Ų | 61 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | -179.6 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | Y270 I271 | Y270-T274 WeakPolarHBondContact O-CB 3.4Å; Y270-T274 PolarHBondContact O-N 3.09Å; Y270-T274 PolarHBondContact O-OG1 2.68Å; I271-T274 PolarHBondContact O-N 3.15Å |
| 275 | F | 77.8 | Confident | 80.6 | Confident | 40 Ų | 40 | 66.7 Ų | 66.7 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 29.9 | 178.7 | -58.2 | -72.8 | 0 | 0 | 0 | 112.8 | V227 I271 Y273 H277 E278 L280 W301 I305 | V227-F275 HydrophobicContact CG1-CE2 4.43Å; I271-F275 HydrophobicContact CG2-CD2 4.16Å; I271-F275 VanDerWaalsContact O-CD2 3.3Å; I271-F275 WeakPolarHBondContact O-CD2 3.25Å; I271-F275 PolarHBondContact O-N 3.43Å; Y273-F275 PolarHBondContact O-N 3.02Å; F275-H277 VanDerWaalsContact C-N 3.27Å; F275-H277 PolarHBondContact O-N 3.21Å; F275-E278 HydrophobicContact CB-CG 4.5Å; F275-E278 PolarHBondContact O-N 3.02Å; F275-E278 VanDerWaalsContact O-N 3.13Å; F275-L280 HydrophobicContact CB-CD1 3.5Å; F275-L280 VanDerWaalsContact CB-CD1 3.5Å; F275-L280 HydrophobicContact CB-CG 4.08Å; F275-L280 HydrophobicContact CD2-CD1 4.31Å; F275-L280 HydrophobicContact CG-CD1 3.97Å; F275-W301 HydrophobicContact CE1-CZ2 4.22Å; F275-W301 AromaticContact CZ-CZ2 3.79Å; F275-W301 HydrophobicContact CZ-CZ2 3.79Å; F275-I305 HydrophobicContact CD2-CD1 4.01Å; F275-I305 HydrophobicContact CE2-CD1 3.88Å; F275-I305 HydrophobicContact CZ-CD1 4.3Å |
| 276 | S | 74.1 | Confident | 79.5 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 43% | 0.427 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -60.8 | -35.6 | -178.1 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | Y272 Y273 E278 E279 | Y272-S276 WeakPolarHBondContact O-CA 3.35Å; Y272-S276 WeakPolarHBondContact O-CB 3.28Å; Y272-S276 PolarHBondContact O-N 3.21Å; Y272-S276 VanDerWaalsContact O-N 3.09Å; Y273-S276 VanDerWaalsContact O-CB 3.29Å; Y273-S276 WeakPolarHBondContact O-CB 3.34Å; Y273-S276 PolarHBondContact O-N 2.91Å; Y273-S276 PolarHBondContact O-OG 3.32Å; S276-E278 VanDerWaalsContact C-N 3.27Å; S276-E278 PolarHBondContact O-N 3.29Å; S276-E279 PolarHBondContact O-N 3.39Å |
| 277 | H | 64.7 | Low | 77.9 | Confident | 170 Ų | 170 | 70 Ų | 70 | 79% | 0.787 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -64.6 | -23.1 | 175.8 | -69 | -72.5 | 0 | 0 | 0 | 114.7 | F275 | F275-H277 VanDerWaalsContact C-N 3.27Å; F275-H277 PolarHBondContact O-N 3.21Å |
| 278 | E | 66.4 | Low | 76.2 | Confident | 88 Ų | 88 | 76.1 Ų | 76.1 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -92.2 | 0.3 | -177.5 | -55.3 | -61.8 | 158.7 | 0 | 0 | 112.8 | F275 S276 L280 L291 | F275-E278 HydrophobicContact CB-CG 4.5Å; F275-E278 PolarHBondContact O-N 3.02Å; F275-E278 VanDerWaalsContact O-N 3.13Å; S276-E278 VanDerWaalsContact C-N 3.27Å; S276-E278 PolarHBondContact O-N 3.29Å; E278-L280 HydrophobicContact CB-CD2 3.74Å; E278-L280 HydrophobicContact CB-CG 3.93Å; E278-L280 PolarHBondContact O-N 2.84Å; E278-L291 HydrophobicContact CB-CD2 4.23Å; E278-L291 WeakPolarHBondContact OE2-CD2 3.47Å |
| 279 | E | 71.1 | Confident | 74.6 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 33% | 0.327 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 34 | -179.1 | -63.4 | -173.4 | 149.7 | 0 | 0 | 115 | S276 H281 H282 S290 | S276-E279 PolarHBondContact O-N 3.39Å; E279-H281 PolarHBondContact O-N 2.89Å; E279-H282 WeakPolarHBondContact O-CB 3.41Å; E279-H282 PolarHBondContact O-N 2.96Å; E279-H282 IonicContact OE2-CD2 3.66Å; E279-H282 IonicContact OE2-NE2 3.92Å; E279-S290 WeakPolarHBondContact CG-OG 3.49Å; E279-S290 WeakPolarHBondContact OE2-CB 3.3Å; E279-S290 PolarHBondContact OE2-OG 3.02Å |
| 280 | L | 67.5 | Low | 72.8 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -53.3 | -25.3 | -174.3 | -59.5 | -173.3 | 0 | 0 | 0 | 114.2 | Y272 F275 E278 H282 S283 V302 I305 | Y272-L280 HydrophobicContact CD1-CB 4.19Å; Y272-L280 HydrophobicContact CE1-CB 3.83Å; F275-L280 HydrophobicContact CB-CD1 3.5Å; F275-L280 VanDerWaalsContact CB-CD1 3.5Å; F275-L280 HydrophobicContact CB-CG 4.08Å; F275-L280 HydrophobicContact CD2-CD1 4.31Å; F275-L280 HydrophobicContact CG-CD1 3.97Å; E278-L280 HydrophobicContact CB-CD2 3.74Å; E278-L280 HydrophobicContact CB-CG 3.93Å; E278-L280 PolarHBondContact O-N 2.84Å; L280-H282 VanDerWaalsContact C-N 3.26Å; L280-H282 PolarHBondContact O-N 2.93Å; L280-S283 VanDerWaalsContact O-CB 3.3Å; L280-S283 WeakPolarHBondContact O-CB 3.3Å; L280-S283 PolarHBondContact O-N 2.83Å; L280-S283 VanDerWaalsContact O-N 3.1Å; L280-V302 HydrophobicContact CD2-CB 4.46Å; L280-V302 HydrophobicContact CD2-CG1 4.14Å; L280-V302 HydrophobicContact CD2-CG2 3.75Å; L280-I305 HydrophobicContact CD1-CD1 4.03Å; L280-I305 HydrophobicContact CD1-CG2 4.17Å |
| 281 | H | 72.3 | Confident | 71.3 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -62.2 | -28.7 | 177.2 | 70.3 | -83.6 | 0 | 0 | 0 | 113.2 | Y272 E279 S283 L284 | Y272-H281 HydrophobicContact CD1-CB 4.31Å; Y272-H281 HydrophobicContact CE1-CB 4.2Å; E279-H281 PolarHBondContact O-N 2.89Å; H281-S283 PolarHBondContact O-N 3.48Å; H281-L284 WeakPolarHBondContact O-CB 3.49Å; H281-L284 PolarHBondContact O-N 3.43Å; H281-L284 VanDerWaalsContact O-N 3.12Å |
| 282 | H | 75.1 | Confident | 69.5 | Low | 56 Ų | 56 | 74.3 Ų | 74.3 | 26% | 0.259 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -62.3 | -30.9 | 173.1 | -73.5 | -32.2 | 0 | 0 | 0 | 112.3 | E279 L280 L284 I285 A287 | E279-H282 WeakPolarHBondContact O-CB 3.41Å; E279-H282 PolarHBondContact O-N 2.96Å; E279-H282 IonicContact OE2-CD2 3.66Å; E279-H282 IonicContact OE2-NE2 3.92Å; L280-H282 VanDerWaalsContact C-N 3.26Å; L280-H282 PolarHBondContact O-N 2.93Å; H282-L284 PolarHBondContact O-N 3.09Å; H282-I285 PolarHBondContact O-N 3.42Å; H282-A287 CarbonylContact C-O 3.58Å; H282-A287 HydrophobicContact CB-CB 3.93Å; H282-A287 PolarHBondContact O-N 3.1Å; H282-A287 VanDerWaalsContact O-O 3.08Å |
| 283 | S | 71.7 | Confident | 68.1 | Low | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -63.4 | -26.1 | 175.7 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | L280 H281 V352 Q355 | L280-S283 VanDerWaalsContact O-CB 3.3Å; L280-S283 WeakPolarHBondContact O-CB 3.3Å; L280-S283 PolarHBondContact O-N 2.83Å; L280-S283 VanDerWaalsContact O-N 3.1Å; H281-S283 PolarHBondContact O-N 3.48Å; S283-V352 WeakPolarHBondContact O-CG1 3.48Å; S283-Q355 PolarHBondContact O-NE2 2.96Å |
| 284 | L | 68.8 | Low | 67.1 | Low | 39 Ų | 39 | 67.7 Ų | 67.7 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -74.7 | -26.6 | 173.9 | -73.7 | -179.9 | 0 | 0 | 0 | 113.7 | Y272 H281 H282 T306 V309 L310 | Y272-L284 HydrophobicContact CE2-CD1 4.28Å; Y272-L284 WeakPolarHBondContact OH-CD1 3.3Å; H281-L284 WeakPolarHBondContact O-CB 3.49Å; H281-L284 PolarHBondContact O-N 3.43Å; H281-L284 VanDerWaalsContact O-N 3.12Å; H282-L284 PolarHBondContact O-N 3.09Å; L284-T306 HydrophobicContact CD2-CG2 3.57Å; L284-T306 HydrophobicContact CG-CG2 4.28Å; L284-V309 HydrophobicContact CD1-CG1 4.39Å; L284-L310 HydrophobicContact CD2-CD2 3.52Å; L284-L310 HydrophobicContact CD2-CG 4.08Å |
| 285 | I | 75.4 | Confident | 66.5 | Low | 122 Ų | 122 | 68.1 Ų | 68.1 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -99.5 | 13.4 | -170.6 | -52.5 | 171 | 0 | 0 | 0 | 110.7 | H282 A287 | H282-I285 PolarHBondContact O-N 3.42Å; I285-A287 PolarHBondContact O-N 2.86Å |
| 286 | F | 72.6 | Confident | 66.3 | Low | 108 Ų | 108 | 69 Ų | 69 | 47% | 0.474 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 33.1 | -169.8 | -55 | -78.5 | 0 | 0 | 0 | 113.2 | F348 L351 V352 Q355 | F286-F348 AromaticContact CE2-CE2 3.75Å; F286-F348 HydrophobicContact CE2-CE2 3.75Å; F286-F348 HydrophobicContact CZ-CD2 4.22Å; F286-F348 AromaticContact CZ-CE2 3.79Å; F286-F348 HydrophobicContact CZ-CE2 3.79Å; F286-L351 HydrophobicContact CE1-CB 3.96Å; F286-L351 HydrophobicContact CZ-CB 3.95Å; F286-V352 HydrophobicContact CE1-CG2 4.16Å; F286-V352 HydrophobicContact CZ-CG2 4.14Å; F286-Q355 PolarHBondContact O-OE1 3.39Å |
| 287 | A | 61.1 | Low | 66.3 | Low | 32 Ų | 32 | 71.8 Ų | 71.8 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | trans | -107.9 | 153.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | H282 I285 P289 | H282-A287 CarbonylContact C-O 3.58Å; H282-A287 HydrophobicContact CB-CB 3.93Å; H282-A287 PolarHBondContact O-N 3.1Å; H282-A287 VanDerWaalsContact O-O 3.08Å; I285-A287 PolarHBondContact O-N 2.86Å; A287-P289 VanDerWaalsContact O-CD 3.3Å; A287-P289 WeakPolarHBondContact O-CD 3.3Å | ||
| 288 | K | 59 | Low | 66.8 | Low | 163 Ų | 163 | 66.7 Ų | 66.7 | 71% | 0.709 | 34% | 0.338 | S | S | * | . | trans | -68.8 | 118.7 | -179.2 | 178.3 | -178.9 | 176.1 | -177 | 0 | 110.5 | ||||
| 289 | P | 61.2 | Low | 67.4 | Low | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.019 | 32% | 0.318 | C | S | . | . | trans | -71.7 | 146.7 | 166.7 | 31.3 | -34.7 | 0 | 0 | 0 | 110.6 | A287 L291 F294 L356 | A287-P289 VanDerWaalsContact O-CD 3.3Å; A287-P289 WeakPolarHBondContact O-CD 3.3Å; P289-L291 HydrophobicContact CB-CG 4.4Å; P289-L291 PolarHBondContact O-N 2.72Å; P289-F294 HydrophobicContact CG-CE2 4.23Å; P289-F294 HydrophobicContact CG-CZ 4.44Å; P289-L356 HydrophobicContact CG-CD2 4.14Å | ||
| 290 | S | 54.3 | Low | 67.9 | Low | 54 Ų | 54 | 61.3 Ų | 61.3 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | trans | -78.6 | 34.4 | -173.4 | 49.7 | 0 | 0 | 0 | 0 | 114.9 | E279 N292 | E279-S290 WeakPolarHBondContact CG-OG 3.49Å; E279-S290 WeakPolarHBondContact OE2-CB 3.3Å; E279-S290 PolarHBondContact OE2-OG 3.02Å; S290-N292 PolarHBondContact O-N 3.4Å | ||
| 291 | L | 58.2 | Low | 68.6 | Low | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | trans | -74.7 | 119.4 | 178 | -54.9 | -164.3 | 0 | 0 | 0 | 111.1 | E278 P289 S293 F294 V302 K359 | E278-L291 HydrophobicContact CB-CD2 4.23Å; E278-L291 WeakPolarHBondContact OE2-CD2 3.47Å; P289-L291 HydrophobicContact CB-CG 4.4Å; P289-L291 PolarHBondContact O-N 2.72Å; L291-S293 VanDerWaalsContact C-N 3.29Å; L291-S293 PolarHBondContact O-N 3.28Å; L291-F294 HydrophobicContact CB-CD2 3.71Å; L291-F294 HydrophobicContact CB-CE2 3.77Å; L291-F294 HydrophobicContact CD1-CD2 4.01Å; L291-F294 HydrophobicContact CD1-CE2 3.53Å; L291-F294 HydrophobicContact CD1-CZ 4.25Å; L291-F294 HydrophobicContact CG-CD2 4.31Å; L291-F294 HydrophobicContact CG-CE2 3.89Å; L291-V302 HydrophobicContact CD1-CG2 4.05Å; L291-K359 PolarHBondContact O-NZ 2.94Å | ||
| 292 | N | 53.1 | Low | 69.2 | Low | 167 Ų | 167 | 61.2 Ų | 61.2 | 89% | 0.893 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -70.3 | -19.1 | -176.3 | -71.5 | -45.8 | 0 | 0 | 0 | 114.5 | S290 | S290-N292 PolarHBondContact O-N 3.4Š|
| 293 | S | 57.4 | Low | 69.8 | Low | 66 Ų | 66 | 58.8 Ų | 58.8 | 46% | 0.462 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -143.9 | 151.6 | 168.7 | 49.3 | 0 | 0 | 0 | 0 | 107.7 | L291 | L291-S293 VanDerWaalsContact C-N 3.29Å; L291-S293 PolarHBondContact O-N 3.28Å |
| 294 | F | 65.4 | Low | 70.7 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | trans | -124.7 | 71 | -176.6 | -131.9 | -100.6 | 0 | 0 | 0 | 111.6 | P289 L291 L299 L356 K359 | P289-F294 HydrophobicContact CG-CE2 4.23Å; P289-F294 HydrophobicContact CG-CZ 4.44Å; L291-F294 HydrophobicContact CB-CD2 3.71Å; L291-F294 HydrophobicContact CB-CE2 3.77Å; L291-F294 HydrophobicContact CD1-CD2 4.01Å; L291-F294 HydrophobicContact CD1-CE2 3.53Å; L291-F294 HydrophobicContact CD1-CZ 4.25Å; L291-F294 HydrophobicContact CG-CD2 4.31Å; L291-F294 HydrophobicContact CG-CE2 3.89Å; F294-L299 HydrophobicContact CD1-CB 4.41Å; F294-L299 HydrophobicContact CE1-CB 4.23Å; F294-L299 HydrophobicContact CE1-CD1 4.04Å; F294-L356 HydrophobicContact CE1-CB 4.29Å; F294-L356 HydrophobicContact CZ-CD2 4.05Å; F294-K359 HydrophobicContact CB-CD 4.42Å; F294-K359 HydrophobicContact CD1-CD 4.22Å; F294-K359 HydrophobicContact CD2-CD 3.78Å; F294-K359 HydrophobicContact CE1-CD 4.43Å; F294-K359 HydrophobicContact CE2-CD 3.93Å; F294-K359 HydrophobicContact CG-CD 3.88Å; F294-K359 HydrophobicContact CZ-CD 4.28Å | ||
| 295 | D | 69.9 | Low | 71.6 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | trans | -71.5 | 159.8 | 177.6 | -88.4 | -0.4 | 0 | 0 | 0 | 111.6 | F297 D298 L299 | D295-F297 VanDerWaalsContact C-N 3.28Å; D295-F297 PolarHBondContact O-N 3.46Å; D295-D298 PolarHBondContact O-N 3.36Å; D295-L299 PolarHBondContact O-N 2.96Å | ||
| 296 | F | 73.6 | Confident | 72.3 | Confident | 58 Ų | 58 | 51.6 Ų | 51.6 | 25% | 0.254 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.1 | -39.6 | -178.6 | 174.3 | -105 | 0 | 0 | 0 | 112.7 | L177 L299 I300 W357 Y360 | L177-F296 HydrophobicContact CD1-CE2 4.21Å; L177-F296 HydrophobicContact CD2-CD2 4.11Å; L177-F296 HydrophobicContact CD2-CE2 3.72Å; F296-L299 PolarHBondContact O-N 2.97Å; F296-I300 HydrophobicContact CD1-CG1 4.46Å; F296-I300 HydrophobicContact CD2-CG1 4.29Å; F296-I300 HydrophobicContact CE1-CG1 4.01Å; F296-I300 HydrophobicContact CE2-CD1 3.94Å; F296-I300 HydrophobicContact CE2-CG1 3.81Å; F296-I300 HydrophobicContact CZ-CD1 3.95Å; F296-I300 HydrophobicContact CZ-CG1 3.66Å; F296-I300 VanDerWaalsContact O-CG1 3.3Å; F296-I300 WeakPolarHBondContact O-CG1 3.5Å; F296-I300 PolarHBondContact O-N 3.48Å; F296-I300 VanDerWaalsContact O-N 3.1Å; F296-W357 HydrophobicContact CE2-CH2 4.47Å; F296-Y360 HydrophobicContact CB-CE2 4.13Å; F296-Y360 HydrophobicContact CD2-CE1 4.36Å |
| 297 | F | 73.4 | Confident | 73.3 | Confident | 120 Ų | 120 | 46.8 Ų | 46.8 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.8 | -38.5 | -179.7 | -67.7 | -71 | 0 | 0 | 0 | 111.9 | I191 D295 I300 W301 | I191-F297 HydrophobicContact CG2-CE2 3.84Å; D295-F297 VanDerWaalsContact C-N 3.28Å; D295-F297 PolarHBondContact O-N 3.46Å; F297-I300 PolarHBondContact O-N 2.84Å; F297-W301 VanDerWaalsContact O-CB 3.26Å; F297-W301 WeakPolarHBondContact O-CB 3.48Å; F297-W301 PolarHBondContact O-N 3.39Å |
| 298 | D | 75.8 | Confident | 74.8 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 34% | 0.337 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 176 | -54.5 | -33.5 | 0 | 0 | 0 | 110.9 | D295 I300 W301 V302 | D295-D298 PolarHBondContact O-N 3.36Å; D298-I300 PolarHBondContact O-N 3.04Å; D298-W301 PolarHBondContact O-N 3.39Å; D298-V302 WeakPolarHBondContact O-CB 3.3Å; D298-V302 WeakPolarHBondContact O-CG2 3.36Å; D298-V302 PolarHBondContact O-N 3.05Å |
| 299 | L | 79.5 | Confident | 76.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.4 | -52.2 | 172.5 | 169.6 | 67.2 | 0 | 0 | 0 | 111.5 | F294 D295 F296 W301 V303 L356 W357 Y360 | F294-L299 HydrophobicContact CD1-CB 4.41Å; F294-L299 HydrophobicContact CE1-CB 4.23Å; F294-L299 HydrophobicContact CE1-CD1 4.04Å; D295-L299 PolarHBondContact O-N 2.96Å; F296-L299 PolarHBondContact O-N 2.97Å; L299-W301 VanDerWaalsContact C-N 3.32Å; L299-W301 PolarHBondContact O-N 3.16Å; L299-V303 HydrophobicContact CD1-CG2 3.9Å; L299-V303 VanDerWaalsContact O-CB 3.28Å; L299-V303 WeakPolarHBondContact O-CB 3.45Å; L299-V303 WeakPolarHBondContact O-CG2 3.41Å; L299-V303 PolarHBondContact O-N 3.35Å; L299-L356 HydrophobicContact CD1-CB 3.46Å; L299-L356 VanDerWaalsContact CD1-CB 3.46Å; L299-W357 HydrophobicContact CD2-CD2 4.03Å; L299-W357 HydrophobicContact CD2-CE3 3.89Å; L299-W357 HydrophobicContact CD2-CH2 3.66Å; L299-W357 HydrophobicContact CD2-CZ2 3.82Å; L299-W357 HydrophobicContact CD2-CZ3 3.71Å; L299-W357 HydrophobicContact CG-CZ2 4.45Å; L299-Y360 HydrophobicContact CD2-CD1 3.66Å; L299-Y360 HydrophobicContact CD2-CD2 4.18Å; L299-Y360 HydrophobicContact CD2-CE1 4.31Å; L299-Y360 HydrophobicContact CD2-CG 3.59Å |
| 300 | I | 81.5 | Confident | 78 | Confident | 46 Ų | 46 | 38.8 Ų | 38.8 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -37.4 | -178.3 | -63.5 | -65.9 | 0 | 0 | 0 | 111.2 | F296 F297 D298 G304 W357 I483 | F296-I300 HydrophobicContact CD1-CG1 4.46Å; F296-I300 HydrophobicContact CD2-CG1 4.29Å; F296-I300 HydrophobicContact CE1-CG1 4.01Å; F296-I300 HydrophobicContact CE2-CD1 3.94Å; F296-I300 HydrophobicContact CE2-CG1 3.81Å; F296-I300 HydrophobicContact CZ-CD1 3.95Å; F296-I300 HydrophobicContact CZ-CG1 3.66Å; F296-I300 VanDerWaalsContact O-CG1 3.3Å; F296-I300 WeakPolarHBondContact O-CG1 3.5Å; F296-I300 PolarHBondContact O-N 3.48Å; F296-I300 VanDerWaalsContact O-N 3.1Å; F297-I300 PolarHBondContact O-N 2.84Å; D298-I300 PolarHBondContact O-N 3.04Å; I300-G304 WeakPolarHBondContact O-CA 3.43Å; I300-G304 PolarHBondContact O-N 3.29Å; I300-W357 HydrophobicContact CD1-CZ2 4.29Å; I300-I483 HydrophobicContact CD1-CG2 3.41Å; I300-I483 VanDerWaalsContact CD1-CG2 3.41Å |
| 301 | W | 82.3 | Confident | 79.9 | Confident | 78 Ų | 78 | 36.3 Ų | 36.3 | 30% | 0.295 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.9 | -51.4 | 176.6 | -177.9 | -105.2 | 0 | 0 | 0 | 112.2 | V227 C228 F275 F297 D298 L299 G304 I305 | V227-W301 HydrophobicContact CB-CH2 4.27Å; V227-W301 HydrophobicContact CG1-CH2 4.12Å; V227-W301 HydrophobicContact CG1-CZ2 4.34Å; C228-W301 WeakPolarHBondContact SG-CZ3 3.36Å; F275-W301 HydrophobicContact CE1-CZ2 4.22Å; F275-W301 AromaticContact CZ-CZ2 3.79Å; F275-W301 HydrophobicContact CZ-CZ2 3.79Å; F297-W301 VanDerWaalsContact O-CB 3.26Å; F297-W301 WeakPolarHBondContact O-CB 3.48Å; F297-W301 PolarHBondContact O-N 3.39Å; D298-W301 PolarHBondContact O-N 3.39Å; L299-W301 VanDerWaalsContact C-N 3.32Å; L299-W301 PolarHBondContact O-N 3.16Å; W301-G304 PolarHBondContact O-N 3.39Å; W301-G304 VanDerWaalsContact O-N 3.16Å; W301-I305 HydrophobicContact CD2-CD1 4.32Å; W301-I305 HydrophobicContact CZ2-CD1 3.84Å; W301-I305 VanDerWaalsContact NE1-CD1 3.34Å; W301-I305 PolarHBondContact O-N 3.39Å |
| 302 | V | 83.4 | Confident | 81.7 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 179.3 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | L280 L291 D298 G304 T306 L356 | L280-V302 HydrophobicContact CD2-CB 4.46Å; L280-V302 HydrophobicContact CD2-CG1 4.14Å; L280-V302 HydrophobicContact CD2-CG2 3.75Å; L291-V302 HydrophobicContact CD1-CG2 4.05Å; D298-V302 WeakPolarHBondContact O-CB 3.3Å; D298-V302 WeakPolarHBondContact O-CG2 3.36Å; D298-V302 PolarHBondContact O-N 3.05Å; V302-G304 VanDerWaalsContact C-N 3.27Å; V302-G304 PolarHBondContact O-N 3.42Å; V302-T306 WeakPolarHBondContact O-CB 3.47Å; V302-T306 PolarHBondContact O-N 2.91Å; V302-T306 PolarHBondContact O-OG1 2.87Å; V302-L356 HydrophobicContact CG1-CD1 3.78Å |
| 303 | V | 88.3 | Confident | 83.7 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.1 | -43.5 | 173.3 | 167.8 | 0 | 0 | 0 | 0 | 110.3 | L299 T306 D307 P353 L356 | L299-V303 HydrophobicContact CD1-CG2 3.9Å; L299-V303 VanDerWaalsContact O-CB 3.28Å; L299-V303 WeakPolarHBondContact O-CB 3.45Å; L299-V303 WeakPolarHBondContact O-CG2 3.41Å; L299-V303 PolarHBondContact O-N 3.35Å; V303-T306 PolarHBondContact O-N 3.29Å; V303-D307 WeakPolarHBondContact O-CB 3.39Å; V303-D307 PolarHBondContact O-N 3.47Å; V303-P353 HydrophobicContact CG1-CB 4.23Å; V303-P353 HydrophobicContact CG1-CG 4.04Å; V303-P353 HydrophobicContact CG2-CB 4.07Å; V303-L356 HydrophobicContact CG2-CB 4.43Å; V303-L356 HydrophobicContact CG2-CD1 3.68Å |
| 304 | G | 90 | Very high | 85.5 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 7% | 0.072 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.6 | -49.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | I300 W301 V302 T306 D307 F308 F481 | I300-G304 WeakPolarHBondContact O-CA 3.43Å; I300-G304 PolarHBondContact O-N 3.29Å; W301-G304 PolarHBondContact O-N 3.39Å; W301-G304 VanDerWaalsContact O-N 3.16Å; V302-G304 VanDerWaalsContact C-N 3.27Å; V302-G304 PolarHBondContact O-N 3.42Å; G304-T306 VanDerWaalsContact C-N 3.26Å; G304-T306 PolarHBondContact O-N 3.15Å; G304-D307 WeakPolarHBondContact O-CB 3.25Å; G304-D307 PolarHBondContact O-N 2.97Å; G304-F308 WeakPolarHBondContact O-CD2 3.41Å; G304-F308 PolarHBondContact O-N 2.92Å; G304-F481 VanDerWaalsContact CA-CZ 3.43Å |
| 305 | I | 89.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.6 | -45.7 | 173.9 | -71.2 | 178.8 | 0 | 0 | 0 | 110 | M231 I271 F275 L280 W301 D307 F308 V309 | M231-I305 HydrophobicContact CE-CB 4.45Å; M231-I305 HydrophobicContact CE-CG1 4.05Å; M231-I305 HydrophobicContact SD-CG1 4.38Å; I271-I305 HydrophobicContact CG2-CG2 3.58Å; F275-I305 HydrophobicContact CD2-CD1 4.01Å; F275-I305 HydrophobicContact CE2-CD1 3.88Å; F275-I305 HydrophobicContact CZ-CD1 4.3Å; L280-I305 HydrophobicContact CD1-CD1 4.03Å; L280-I305 HydrophobicContact CD1-CG2 4.17Å; W301-I305 HydrophobicContact CD2-CD1 4.32Å; W301-I305 HydrophobicContact CZ2-CD1 3.84Å; W301-I305 VanDerWaalsContact NE1-CD1 3.34Å; W301-I305 PolarHBondContact O-N 3.39Å; I305-D307 PolarHBondContact O-N 2.96Å; I305-F308 PolarHBondContact O-N 3.49Å; I305-V309 HydrophobicContact CG2-CG2 4.3Å; I305-V309 WeakPolarHBondContact O-CG2 3.38Å; I305-V309 PolarHBondContact O-N 3.5Å |
| 306 | T | 89.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66 | -41.1 | -177.2 | -49.5 | 0 | 0 | 0 | 0 | 111.7 | L284 V302 V303 G304 F308 V309 L310 V352 | L284-T306 HydrophobicContact CD2-CG2 3.57Å; L284-T306 HydrophobicContact CG-CG2 4.28Å; V302-T306 WeakPolarHBondContact O-CB 3.47Å; V302-T306 PolarHBondContact O-N 2.91Å; V302-T306 PolarHBondContact O-OG1 2.87Å; V303-T306 PolarHBondContact O-N 3.29Å; G304-T306 VanDerWaalsContact C-N 3.26Å; G304-T306 PolarHBondContact O-N 3.15Å; T306-F308 VanDerWaalsContact C-N 3.3Å; T306-F308 PolarHBondContact O-N 3.48Å; T306-V309 PolarHBondContact O-N 3.16Å; T306-L310 VanDerWaalsContact O-CG 3.26Å; T306-L310 WeakPolarHBondContact O-CG 3.33Å; T306-L310 PolarHBondContact O-N 3.04Å; T306-V352 HydrophobicContact CG2-CG1 3.49Å; T306-V352 VanDerWaalsContact CG2-CG1 3.49Å |
| 307 | D | 92 | Very high | 89.1 | Confident | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.032 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.2 | -44.9 | 172.6 | 179.9 | 109.4 | 0 | 0 | 0 | 111.9 | V303 G304 I305 K311 R349 F481 Q482 | V303-D307 WeakPolarHBondContact O-CB 3.39Å; V303-D307 PolarHBondContact O-N 3.47Å; G304-D307 WeakPolarHBondContact O-CB 3.25Å; G304-D307 PolarHBondContact O-N 2.97Å; I305-D307 PolarHBondContact O-N 2.96Å; D307-K311 PolarHBondContact O-N 2.95Å; D307-K311 VanDerWaalsContact O-N 3.08Å; D307-K311 WeakPolarHBondContact OD2-CD 3.47Å; D307-K311 VanDerWaalsContact OD2-CE 3.25Å; D307-K311 WeakPolarHBondContact OD2-CE 3.24Å; D307-K311 IonicContact OD2-NZ 2.75Å; D307-K311 PolarHBondContact OD2-NZ 2.93Å; D307-R349 PolarHBondContact O-NH1 3.35Å; D307-R349 IonicContact OD1-CZ 3.1Å; D307-R349 VanDerWaalsContact OD1-CZ 3.25Å; D307-R349 IonicContact OD1-NH1 2.81Å; D307-R349 PolarHBondContact OD1-NH1 2.97Å; D307-R349 IonicContact OD1-NH2 3.25Å; D307-R349 PolarHBondContact OD1-NH2 3.36Å; D307-R349 IonicContact OD2-CZ 3.05Å; D307-R349 IonicContact OD2-NH1 3.29Å; D307-R349 PolarHBondContact OD2-NH1 3.3Å; D307-R349 IonicContact OD2-NH2 3.47Å; D307-R349 PolarHBondContact OD2-NH2 3.28Å; D307-F481 HydrophobicContact CB-CD2 4.04Å; D307-F481 HydrophobicContact CB-CE2 3.84Å; D307-F481 VanDerWaalsContact CG-CD2 3.41Å; D307-F481 WeakPolarHBondContact OD2-CD2 3.38Å; D307-Q482 PolarHBondContact OD1-N 2.92Å |
| 308 | F | 93.6 | Very high | 90 | Very high | 21 Ų | 21 | 20.3 Ų | 20.3 | 9% | 0.092 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -71.9 | -42.2 | 177.8 | -84.3 | -76.5 | 0 | 0 | 0 | 113.6 | M231 I232 F235 G304 I305 T306 L310 K311 Y312 F481 | M231-F308 HydrophobicContact CB-CD1 4.27Å; M231-F308 HydrophobicContact CB-CG 4.21Å; M231-F308 HydrophobicContact CE-CB 3.63Å; M231-F308 HydrophobicContact CE-CD2 3.45Å; M231-F308 VanDerWaalsContact CE-CD2 3.45Å; M231-F308 HydrophobicContact CE-CE2 4.32Å; M231-F308 HydrophobicContact CE-CG 3.71Å; I232-F308 HydrophobicContact CG1-CE1 4.1Å; I232-F308 HydrophobicContact CG1-CE2 4.39Å; I232-F308 HydrophobicContact CG1-CZ 3.57Å; F235-F308 HydrophobicContact CB-CD1 4.16Å; F235-F308 HydrophobicContact CB-CE1 4.03Å; F235-F308 HydrophobicContact CG-CE1 4.4Å; G304-F308 WeakPolarHBondContact O-CD2 3.41Å; G304-F308 PolarHBondContact O-N 2.92Å; I305-F308 PolarHBondContact O-N 3.49Å; T306-F308 VanDerWaalsContact C-N 3.3Å; T306-F308 PolarHBondContact O-N 3.48Å; F308-L310 VanDerWaalsContact C-N 3.26Å; F308-L310 PolarHBondContact O-N 2.91Å; F308-K311 HydrophobicContact CD1-CD 4.21Å; F308-K311 HydrophobicContact CE1-CD 4.48Å; F308-K311 WeakPolarHBondContact O-CB 3.4Å; F308-K311 PolarHBondContact O-N 3.45Å; F308-K311 VanDerWaalsContact O-N 3.08Å; F308-Y312 VanDerWaalsContact O-CG 3.31Å; F308-Y312 PolarHBondContact O-N 3.36Å; F308-F481 HydrophobicContact CD2-CE2 4.08Å; F308-F481 HydrophobicContact CE2-CD2 4.17Å; F308-F481 AromaticContact CE2-CE2 3.78Å; F308-F481 HydrophobicContact CE2-CE2 3.78Å |
| 309 | V | 93.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.1 | -42.5 | 173.8 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | I268 I271 Y272 L284 I305 T306 K311 Y312 V313 | I268-V309 HydrophobicContact CG1-CG1 4.28Å; I268-V309 HydrophobicContact CG2-CG1 4.1Å; I271-V309 HydrophobicContact CD1-CG2 4.48Å; I271-V309 HydrophobicContact CG2-CG2 4.47Å; Y272-V309 HydrophobicContact CE2-CG1 4.02Å; Y272-V309 HydrophobicContact CE2-CG2 4.37Å; L284-V309 HydrophobicContact CD1-CG1 4.39Å; I305-V309 HydrophobicContact CG2-CG2 4.3Å; I305-V309 WeakPolarHBondContact O-CG2 3.38Å; I305-V309 PolarHBondContact O-N 3.5Å; T306-V309 PolarHBondContact O-N 3.16Å; V309-K311 PolarHBondContact O-N 3.08Å; V309-Y312 WeakPolarHBondContact O-CB 3.29Å; V309-Y312 PolarHBondContact O-N 2.64Å; V309-Y312 VanDerWaalsContact O-N 3.16Å; V309-V313 HydrophobicContact CG1-CG2 4.43Å; V309-V313 WeakPolarHBondContact O-CG2 3.43Å; V309-V313 PolarHBondContact O-N 3.21Å |
| 310 | L | 93.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.047 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.9 | -37.4 | 175.3 | -66.4 | -178.3 | 0 | 0 | 0 | 112.7 | L284 T306 F308 V313 T314 F348 R349 V352 | L284-L310 HydrophobicContact CD2-CD2 3.52Å; L284-L310 HydrophobicContact CD2-CG 4.08Å; T306-L310 VanDerWaalsContact O-CG 3.26Å; T306-L310 WeakPolarHBondContact O-CG 3.33Å; T306-L310 PolarHBondContact O-N 3.04Å; F308-L310 VanDerWaalsContact C-N 3.26Å; F308-L310 PolarHBondContact O-N 2.91Å; L310-V313 PolarHBondContact O-N 2.81Å; L310-T314 WeakPolarHBondContact O-CB 3.39Å; L310-T314 PolarHBondContact O-N 2.73Å; L310-T314 PolarHBondContact O-OG1 2.84Å; L310-F348 HydrophobicContact CD1-CD1 4.07Å; L310-F348 HydrophobicContact CD1-CE1 4.37Å; L310-F348 HydrophobicContact CD2-CD1 3.57Å; L310-F348 HydrophobicContact CD2-CE1 3.39Å; L310-F348 HydrophobicContact CG-CD1 4.44Å; L310-R349 HydrophobicContact CB-CG 3.68Å; L310-R349 HydrophobicContact CD1-CB 4.23Å; L310-R349 HydrophobicContact CD1-CG 3.67Å; L310-R349 HydrophobicContact CG-CG 4.34Å; L310-V352 HydrophobicContact CD1-CB 4.28Å; L310-V352 HydrophobicContact CD1-CG2 4.15Å |
| 311 | K | 94.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 171 | -80.3 | 157.8 | 169.4 | 160.9 | 0 | 111.7 | F235 D307 F308 V309 T314 I315 T477 S478 A479 | F235-K311 HydrophobicContact CD2-CB 3.85Å; F235-K311 HydrophobicContact CD2-CD 4.01Å; F235-K311 HydrophobicContact CD2-CG 4.16Å; F235-K311 HydrophobicContact CE2-CB 4.04Å; F235-K311 HydrophobicContact CE2-CD 3.98Å; F235-K311 HydrophobicContact CE2-CG 3.96Å; F235-K311 HydrophobicContact CZ-CD 4.47Å; D307-K311 PolarHBondContact O-N 2.95Å; D307-K311 VanDerWaalsContact O-N 3.08Å; D307-K311 WeakPolarHBondContact OD2-CD 3.47Å; D307-K311 VanDerWaalsContact OD2-CE 3.25Å; D307-K311 WeakPolarHBondContact OD2-CE 3.24Å; D307-K311 IonicContact OD2-NZ 2.75Å; D307-K311 PolarHBondContact OD2-NZ 2.93Å; F308-K311 HydrophobicContact CD1-CD 4.21Å; F308-K311 HydrophobicContact CE1-CD 4.48Å; F308-K311 WeakPolarHBondContact O-CB 3.4Å; F308-K311 PolarHBondContact O-N 3.45Å; F308-K311 VanDerWaalsContact O-N 3.08Å; V309-K311 PolarHBondContact O-N 3.08Å; K311-T314 WeakPolarHBondContact O-CB 3.41Å; K311-T314 PolarHBondContact O-N 3.06Å; K311-I315 WeakPolarHBondContact O-CG1 3.33Å; K311-I315 PolarHBondContact O-N 3.28Å; K311-T477 HydrophobicContact CG-CG2 4.29Å; K311-S478 VanDerWaalsContact CE-O 3.24Å; K311-S478 WeakPolarHBondContact CE-O 3.38Å; K311-A479 PolarHBondContact NZ-O 3.08Å |
| 312 | Y | 95.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 177.5 | -58.5 | -22.8 | 0 | 0 | 0 | 112.2 | M231 T234 F235 L264 I268 I271 F308 V309 T314 I315 G316 | M231-Y312 VanDerWaalsContact C-OH 3.28Å; M231-Y312 WeakPolarHBondContact CA-OH 3.29Å; M231-Y312 WeakPolarHBondContact CB-OH 3.3Å; M231-Y312 PolarHBondContact O-OH 2.92Å; T234-Y312 HydrophobicContact CG2-CD1 4.45Å; T234-Y312 HydrophobicContact CG2-CE1 3.76Å; T234-Y312 HydrophobicContact CG2-CE2 4.42Å; F235-Y312 HydrophobicContact CB-CE1 3.99Å; L264-Y312 HydrophobicContact CD2-CD1 3.64Å; L264-Y312 HydrophobicContact CD2-CE1 4.32Å; L264-Y312 HydrophobicContact CD2-CG 3.9Å; I268-Y312 HydrophobicContact CG1-CD2 3.88Å; I268-Y312 HydrophobicContact CG1-CG 4.45Å; I271-Y312 HydrophobicContact CD1-CE2 4.09Å; F308-Y312 VanDerWaalsContact O-CG 3.31Å; F308-Y312 PolarHBondContact O-N 3.36Å; V309-Y312 WeakPolarHBondContact O-CB 3.29Å; V309-Y312 PolarHBondContact O-N 2.64Å; V309-Y312 VanDerWaalsContact O-N 3.16Å; Y312-T314 VanDerWaalsContact C-N 3.26Å; Y312-T314 PolarHBondContact O-N 2.62Å; Y312-I315 PolarHBondContact O-N 3.31Å; Y312-G316 PolarHBondContact O-N 3.46Å |
| 313 | V | 94.9 | Very high | 91.8 | Very high | 64 Ų | 64 | 20.7 Ų | 20.7 | 39% | 0.388 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -57.6 | -41.7 | 173.8 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | I268 V309 L310 G316 L317 | I268-V313 HydrophobicContact CD1-CG2 3.93Å; V309-V313 HydrophobicContact CG1-CG2 4.43Å; V309-V313 WeakPolarHBondContact O-CG2 3.43Å; V309-V313 PolarHBondContact O-N 3.21Å; L310-V313 PolarHBondContact O-N 2.81Å; V313-G316 PolarHBondContact O-N 2.88Å; V313-L317 HydrophobicContact CG1-CD1 3.95Å; V313-L317 HydrophobicContact CG1-CG 4.36Å; V313-L317 WeakPolarHBondContact O-CB 3.11Å; V313-L317 VanDerWaalsContact O-CG 3.3Å; V313-L317 WeakPolarHBondContact O-CG 3.32Å; V313-L317 PolarHBondContact O-N 3.4Å |
| 314 | T | 95.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 178.3 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | L310 K311 Y312 G316 L317 K318 I341 S345 T477 | L310-T314 WeakPolarHBondContact O-CB 3.39Å; L310-T314 PolarHBondContact O-N 2.73Å; L310-T314 PolarHBondContact O-OG1 2.84Å; K311-T314 WeakPolarHBondContact O-CB 3.41Å; K311-T314 PolarHBondContact O-N 3.06Å; Y312-T314 VanDerWaalsContact C-N 3.26Å; Y312-T314 PolarHBondContact O-N 2.62Å; T314-G316 VanDerWaalsContact C-N 3.33Å; T314-L317 PolarHBondContact O-N 3.29Å; T314-K318 WeakPolarHBondContact O-CG 3.37Å; T314-K318 PolarHBondContact O-N 3.01Å; T314-I341 HydrophobicContact CG2-CG2 4.02Å; T314-S345 VanDerWaalsContact OG1-CB 3.3Å; T314-S345 WeakPolarHBondContact OG1-CB 3.49Å; T314-S345 PolarHBondContact OG1-OG 3.49Å; T314-T477 HydrophobicContact CG2-CG2 4.24Å |
| 315 | I | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 176.9 | -64 | 164.5 | 0 | 0 | 0 | 110.1 | F235 A238 N239 F242 I260 L264 K311 Y312 K318 C319 T477 | F235-I315 HydrophobicContact CD2-CD1 3.89Å; F235-I315 HydrophobicContact CE2-CD1 4Å; A238-I315 HydrophobicContact CB-CD1 4.43Å; A238-I315 HydrophobicContact CB-CG2 4.43Å; N239-I315 HydrophobicContact CB-CD1 3.99Å; F242-I315 HydrophobicContact CB-CG2 4.18Å; F242-I315 HydrophobicContact CG-CG2 4.42Å; I260-I315 HydrophobicContact CG2-CG2 4.3Å; L264-I315 HydrophobicContact CD1-CB 3.81Å; L264-I315 HydrophobicContact CD1-CG2 3.66Å; K311-I315 WeakPolarHBondContact O-CG1 3.33Å; K311-I315 PolarHBondContact O-N 3.28Å; Y312-I315 PolarHBondContact O-N 3.31Å; I315-K318 PolarHBondContact O-N 3.01Å; I315-C319 WeakPolarHBondContact O-CB 2.94Å; I315-C319 PolarHBondContact O-N 3.45Å; I315-C319 PolarHBondContact O-SG 3.33Å; I315-T477 HydrophobicContact CG1-CG2 4.38Å; I315-T477 WeakPolarHBondContact CG1-OG1 3.29Å |
| 316 | G | 94.9 | Very high | 89.7 | Confident | 17 Ų | 17 | 30.5 Ų | 30.5 | 18% | 0.175 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y312 V313 T314 C319 F320 | Y312-G316 PolarHBondContact O-N 3.46Å; V313-G316 PolarHBondContact O-N 2.88Å; T314-G316 VanDerWaalsContact C-N 3.33Å; G316-C319 WeakPolarHBondContact O-CB 3.32Å; G316-C319 PolarHBondContact O-N 3.11Å; G316-F320 PolarHBondContact O-N 2.95Å |
| 317 | L | 93.8 | Very high | 88.5 | Confident | 94 Ų | 94 | 38.2 Ų | 38.2 | 49% | 0.492 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.8 | -39 | 175.1 | -71.4 | 169.3 | 0 | 0 | 0 | 112.3 | V313 T314 F320 I321 I341 | V313-L317 HydrophobicContact CG1-CD1 3.95Å; V313-L317 HydrophobicContact CG1-CG 4.36Å; V313-L317 WeakPolarHBondContact O-CB 3.11Å; V313-L317 VanDerWaalsContact O-CG 3.3Å; V313-L317 WeakPolarHBondContact O-CG 3.32Å; V313-L317 PolarHBondContact O-N 3.4Å; T314-L317 PolarHBondContact O-N 3.29Å; L317-F320 WeakPolarHBondContact O-CB 3.41Å; L317-F320 PolarHBondContact O-N 2.64Å; L317-I321 PolarHBondContact O-N 2.98Å; L317-I341 HydrophobicContact CB-CD1 4.3Å; L317-I341 HydrophobicContact CB-CG2 4.37Å |
| 318 | K | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.7 | -37.2 | 172.6 | -68.1 | -180 | -176.3 | 169.6 | 0 | 112 | F242 T314 I315 F320 I321 Y338 I341 E342 G475 T476 T477 | F242-K318 HydrophobicContact CE1-CB 3.72Å; F242-K318 HydrophobicContact CE1-CD 3.94Å; F242-K318 HydrophobicContact CE1-CG 4.45Å; F242-K318 HydrophobicContact CE2-CB 4.08Å; F242-K318 HydrophobicContact CZ-CB 3.47Å; F242-K318 VanDerWaalsContact CZ-CB 3.47Å; F242-K318 HydrophobicContact CZ-CD 4.48Å; T314-K318 WeakPolarHBondContact O-CG 3.37Å; T314-K318 PolarHBondContact O-N 3.01Å; I315-K318 PolarHBondContact O-N 3.01Å; K318-F320 VanDerWaalsContact C-N 3.32Å; K318-F320 PolarHBondContact O-N 2.83Å; K318-I321 PolarHBondContact O-N 3.31Å; K318-Y338 HydrophobicContact CB-CD1 4.28Å; K318-Y338 HydrophobicContact CG-CD1 4.27Å; K318-I341 HydrophobicContact CG-CB 4.43Å; K318-I341 HydrophobicContact CG-CG2 3.85Å; K318-E342 WeakPolarHBondContact CE-OE2 3.21Å; K318-E342 IonicContact NZ-OE2 3.71Å; K318-E342 PolarHBondContact NZ-OE2 3.48Å; K318-G475 WeakPolarHBondContact CD-O 3.38Å; K318-G475 PolarHBondContact NZ-O 3.44Å; K318-G475 VanDerWaalsContact NZ-O 3.15Å; K318-T476 PolarHBondContact NZ-O 3.38Å; K318-T477 PolarHBondContact NZ-OG1 2.87Å |
| 319 | C | 92.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -37.7 | 171.7 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | F242 I261 I315 G316 I321 L322 F323 | F242-C319 WeakPolarHBondContact CD2-SG 3.09Å; I261-C319 HydrophobicContact CD1-CB 3.72Å; I261-C319 HydrophobicContact CG1-CB 3.56Å; I315-C319 WeakPolarHBondContact O-CB 2.94Å; I315-C319 PolarHBondContact O-N 3.45Å; I315-C319 PolarHBondContact O-SG 3.33Å; G316-C319 WeakPolarHBondContact O-CB 3.32Å; G316-C319 PolarHBondContact O-N 3.11Å; C319-I321 VanDerWaalsContact C-N 3.28Å; C319-I321 PolarHBondContact O-N 2.88Å; C319-L322 VanDerWaalsContact O-CB 3.22Å; C319-L322 WeakPolarHBondContact O-CB 3.11Å; C319-L322 PolarHBondContact O-N 3.47Å; C319-F323 VanDerWaalsContact O-CD2 3.24Å; C319-F323 WeakPolarHBondContact O-CD2 3.26Å; C319-F323 WeakPolarHBondContact O-CE2 3.26Å |
| 320 | F | 89.6 | Confident | 84.9 | Confident | 120 Ų | 120 | 46.4 Ų | 46.4 | 53% | 0.526 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -37 | 177.8 | -173.3 | -102.1 | 0 | 0 | 0 | 112.9 | G316 L317 K318 L322 F323 L324 | G316-F320 PolarHBondContact O-N 2.95Å; L317-F320 WeakPolarHBondContact O-CB 3.41Å; L317-F320 PolarHBondContact O-N 2.64Å; K318-F320 VanDerWaalsContact C-N 3.32Å; K318-F320 PolarHBondContact O-N 2.83Å; F320-L322 PolarHBondContact O-N 3.49Å; F320-F323 WeakPolarHBondContact O-CB 3.24Å; F320-F323 PolarHBondContact O-N 3.19Å; F320-F323 VanDerWaalsContact O-N 3.1Å; F320-L324 HydrophobicContact CE1-CD2 4.27Å |
| 321 | I | 89 | Confident | 83.4 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -27.1 | 173.6 | -69.2 | 164 | 0 | 0 | 0 | 112.2 | L317 K318 C319 F323 L324 M329 R334 F337 Y338 I341 | L317-I321 PolarHBondContact O-N 2.98Å; K318-I321 PolarHBondContact O-N 3.31Å; C319-I321 VanDerWaalsContact C-N 3.28Å; C319-I321 PolarHBondContact O-N 2.88Å; I321-F323 PolarHBondContact O-N 3.13Å; I321-L324 HydrophobicContact CG1-CD1 4.41Å; I321-L324 PolarHBondContact O-N 2.81Å; I321-M329 HydrophobicContact CG2-SD 4.18Å; I321-R334 HydrophobicContact CG2-CB 4.3Å; I321-R334 HydrophobicContact CG2-CG 4.09Å; I321-F337 HydrophobicContact CD1-CB 3.64Å; I321-Y338 HydrophobicContact CB-CE1 3.9Å; I321-Y338 HydrophobicContact CD1-CD1 3.86Å; I321-Y338 HydrophobicContact CD1-CE1 3.96Å; I321-Y338 HydrophobicContact CG2-CE1 3.69Å; I321-I341 HydrophobicContact CD1-CD1 3.4Å; I321-I341 VanDerWaalsContact CD1-CD1 3.4Å; I321-I341 HydrophobicContact CG1-CD1 4.36Å |
| 322 | L | 85.3 | Confident | 82 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -31.3 | 178.3 | -60.5 | 177 | 0 | 0 | 0 | 111.9 | F242 V246 R252 A257 C319 F320 L324 Y338 | F242-L322 HydrophobicContact CD2-CD1 4.05Å; F242-L322 HydrophobicContact CE2-CD1 3.68Å; F242-L322 HydrophobicContact CE2-CD2 4.38Å; F242-L322 HydrophobicContact CE2-CG 4.01Å; V246-L322 HydrophobicContact CG2-CD2 4.47Å; R252-L322 VanDerWaalsContact NH1-CA 3.32Å; R252-L322 PolarHBondContact NH1-O 2.92Å; R252-L322 PolarHBondContact NH2-O 2.96Å; A257-L322 HydrophobicContact CB-CB 4.4Å; A257-L322 HydrophobicContact CB-CD1 3.75Å; C319-L322 VanDerWaalsContact O-CB 3.22Å; C319-L322 WeakPolarHBondContact O-CB 3.11Å; C319-L322 PolarHBondContact O-N 3.47Å; F320-L322 PolarHBondContact O-N 3.49Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L322-Y338 VanDerWaalsContact CD2-OH 3.27Å; L322-Y338 WeakPolarHBondContact CD2-OH 3.23Å |
| 323 | F | 83.4 | Confident | 80.9 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.1 | -22.7 | 179 | -62.8 | -88.8 | 0 | 0 | 0 | 113.7 | I254 A257 L258 I261 C319 F320 I321 P325 | I254-F323 HydrophobicContact CG2-CD1 3.8Å; I254-F323 HydrophobicContact CG2-CE1 3.41Å; I254-F323 VanDerWaalsContact CG2-CE1 3.41Å; I254-F323 HydrophobicContact CG2-CZ 4.28Å; A257-F323 HydrophobicContact CB-CE2 3.97Å; A257-F323 HydrophobicContact CB-CZ 3.88Å; L258-F323 HydrophobicContact CB-CZ 4.32Å; L258-F323 HydrophobicContact CD1-CE1 4.33Å; L258-F323 HydrophobicContact CD2-CD1 4.46Å; L258-F323 HydrophobicContact CD2-CE1 3.36Å; L258-F323 HydrophobicContact CD2-CZ 3.44Å; L258-F323 VanDerWaalsContact CD2-CZ 3.44Å; L258-F323 HydrophobicContact CG-CE1 3.49Å; L258-F323 VanDerWaalsContact CG-CE1 3.49Å; L258-F323 HydrophobicContact CG-CZ 3.56Å; I261-F323 HydrophobicContact CD1-CD2 4.4Å; I261-F323 HydrophobicContact CD1-CE2 3.6Å; I261-F323 HydrophobicContact CD1-CZ 4.28Å; C319-F323 VanDerWaalsContact O-CD2 3.24Å; C319-F323 WeakPolarHBondContact O-CD2 3.26Å; C319-F323 WeakPolarHBondContact O-CE2 3.26Å; F320-F323 WeakPolarHBondContact O-CB 3.24Å; F320-F323 PolarHBondContact O-N 3.19Å; F320-F323 VanDerWaalsContact O-N 3.1Å; I321-F323 PolarHBondContact O-N 3.13Å; F323-P325 WeakPolarHBondContact O-CD 3.33Å |
| 324 | L | 81.9 | Confident | 80.2 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -64.8 | 119.4 | -174.7 | -65.2 | 176.4 | 0 | 0 | 0 | 110.5 | F320 I321 L322 I328 M329 R334 | F320-L324 HydrophobicContact CE1-CD2 4.27Å; I321-L324 HydrophobicContact CG1-CD1 4.41Å; I321-L324 PolarHBondContact O-N 2.81Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L324-I328 HydrophobicContact CD2-CD1 4.45Å; L324-I328 HydrophobicContact CD2-CG2 4.45Å; L324-M329 HydrophobicContact CD1-CE 3.57Å; L324-M329 HydrophobicContact CD1-CG 4.22Å; L324-M329 HydrophobicContact CD1-SD 3.65Å; L324-R334 PolarHBondContact O-NH2 3.09Å |
| 325 | P | 75.3 | Confident | 79.5 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | trans | -64.3 | 160.2 | -177.3 | 26.6 | -35.1 | 0 | 0 | 0 | 111.3 | F323 I327 I328 M329 | F323-P325 WeakPolarHBondContact O-CD 3.33Å; P325-I327 PolarHBondContact O-N 3.47Å; P325-I328 HydrophobicContact CG-CD1 4.04Å; P325-I328 HydrophobicContact CG-CG1 4.08Å; P325-I328 PolarHBondContact O-N 3.45Å; P325-M329 PolarHBondContact O-N 2.84Å | ||
| 326 | K | 67.2 | Low | 78.9 | Confident | 130 Ų | 130 | 55.1 Ų | 55.1 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25.8 | -178 | -47.7 | -153.1 | -171.3 | -167.3 | 0 | 112.7 | E250 M329 F331 | E250-K326 IonicContact OE1-NZ 2.61Å; E250-K326 PolarHBondContact OE1-NZ 3.24Å; K326-M329 CarbonylContact O-C 3.47Å; K326-F331 HydrophobicContact CD-CD2 4.12Å; K326-F331 HydrophobicContact CD-CE2 3.62Å; K326-F331 HydrophobicContact CG-CD2 4.36Å; K326-F331 HydrophobicContact CG-CE2 3.82Å |
| 327 | I | 65.6 | Low | 78.6 | Confident | 162 Ų | 162 | 57 Ų | 57 | 83% | 0.831 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -37.1 | 177.9 | -60.5 | 153.7 | 0 | 0 | 0 | 112.7 | P325 | P325-I327 PolarHBondContact O-N 3.47Š|
| 328 | I | 70.9 | Confident | 78.4 | Confident | 113 Ų | 113 | 52.9 Ų | 52.9 | 58% | 0.579 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -35.6 | -178.1 | -59.7 | 179.5 | 0 | 0 | 0 | 110.9 | L324 P325 | L324-I328 HydrophobicContact CD2-CD1 4.45Å; L324-I328 HydrophobicContact CD2-CG2 4.45Å; P325-I328 HydrophobicContact CG-CD1 4.04Å; P325-I328 HydrophobicContact CG-CG1 4.08Å; P325-I328 PolarHBondContact O-N 3.45Å |
| 329 | M | 65.3 | Low | 78.2 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -139.2 | 116 | 176.8 | -69.6 | -169.5 | -179.8 | 0 | 0 | 111.9 | I321 L324 P325 K326 R334 F337 | I321-M329 HydrophobicContact CG2-SD 4.18Å; L324-M329 HydrophobicContact CD1-CE 3.57Å; L324-M329 HydrophobicContact CD1-CG 4.22Å; L324-M329 HydrophobicContact CD1-SD 3.65Å; P325-M329 PolarHBondContact O-N 2.84Å; K326-M329 CarbonylContact O-C 3.47Å; M329-R334 HydrophobicContact CB-CG 4.35Å; M329-F337 HydrophobicContact CE-CD1 3.78Å; M329-F337 HydrophobicContact CE-CD2 3.62Å; M329-F337 HydrophobicContact CE-CE1 3.61Å; M329-F337 HydrophobicContact CE-CE2 3.43Å; M329-F337 VanDerWaalsContact CE-CE2 3.43Å; M329-F337 HydrophobicContact CE-CG 3.79Å; M329-F337 HydrophobicContact CE-CZ 3.43Å; M329-F337 VanDerWaalsContact CE-CZ 3.43Å; M329-F337 HydrophobicContact CG-CE2 4.24Å; M329-F337 HydrophobicContact SD-CD2 3.54Å; M329-F337 VanDerWaalsContact SD-CD2 3.54Å; M329-F337 HydrophobicContact SD-CE2 3.65Å; M329-F337 HydrophobicContact SD-CG 4.09Å; M329-F337 HydrophobicContact SD-CZ 4.29Å |
| 330 | A | 66.8 | Low | 78.1 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | trans | -56.8 | 137.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | K332 S333 | A330-K332 PolarHBondContact O-N 3.27Å; A330-K332 VanDerWaalsContact O-N 3.08Å; A330-S333 PolarHBondContact O-N 2.9Å; A330-S333 PolarHBondContact O-OG 2.68Å | ||
| 331 | F | 62.4 | Low | 78.3 | Confident | 70 Ų | 70 | 50.6 Ų | 50.6 | 31% | 0.307 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -52 | -39.5 | -176.3 | -91.6 | -110.2 | 0 | 0 | 0 | 113 | E250 K326 S333 R334 | E250-F331 HydrophobicContact CG-CE1 4.2Å; E250-F331 HydrophobicContact CG-CZ 4.34Å; K326-F331 HydrophobicContact CD-CD2 4.12Å; K326-F331 HydrophobicContact CD-CE2 3.62Å; K326-F331 HydrophobicContact CG-CD2 4.36Å; K326-F331 HydrophobicContact CG-CE2 3.82Å; F331-S333 PolarHBondContact O-N 3.44Å; F331-R334 VanDerWaalsContact CD1-NH1 3.3Å; F331-R334 PolarHBondContact O-N 2.92Å |
| 332 | K | 64.4 | Low | 78.4 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.7 | -22.9 | 178.4 | -169.3 | 179.3 | 175.5 | -169.5 | 0 | 114.7 | A330 E445 | A330-K332 PolarHBondContact O-N 3.27Å; A330-K332 VanDerWaalsContact O-N 3.08Å; K332-E445 WeakPolarHBondContact CE-OE1 3.5Å; K332-E445 WeakPolarHBondContact CE-OE2 3.48Å; K332-E445 IonicContact NZ-OE1 3.4Å; K332-E445 PolarHBondContact NZ-OE1 2.83Å; K332-E445 IonicContact NZ-OE2 2.81Å; K332-E445 PolarHBondContact NZ-OE2 3.36Å |
| 333 | S | 72.9 | Confident | 78.7 | Confident | 28 Ų | 28 | 51 Ų | 51 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -92.7 | -18.6 | 178 | 68.5 | 0 | 0 | 0 | 0 | 114.1 | A330 F331 G335 K336 F337 | A330-S333 PolarHBondContact O-N 2.9Å; A330-S333 PolarHBondContact O-OG 2.68Å; F331-S333 PolarHBondContact O-N 3.44Å; S333-G335 PolarHBondContact O-N 3.44Å; S333-K336 WeakPolarHBondContact O-CA 3.37Å; S333-K336 WeakPolarHBondContact O-CB 3.33Å; S333-K336 PolarHBondContact O-N 3.34Å; S333-F337 WeakPolarHBondContact O-CD2 3.47Å; S333-F337 PolarHBondContact O-N 2.82Å |
| 334 | R | 80.8 | Confident | 79.1 | Confident | 11 Ų | 11 | 52 Ų | 52 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -42.6 | -173.3 | -68 | -178.8 | 175.9 | 156.4 | -5.5 | 113.6 | I321 L324 M329 F331 K336 F337 Y338 | I321-R334 HydrophobicContact CG2-CB 4.3Å; I321-R334 HydrophobicContact CG2-CG 4.09Å; L324-R334 PolarHBondContact O-NH2 3.09Å; M329-R334 HydrophobicContact CB-CG 4.35Å; F331-R334 VanDerWaalsContact CD1-NH1 3.3Å; F331-R334 PolarHBondContact O-N 2.92Å; R334-K336 PolarHBondContact O-N 2.78Å; R334-F337 PolarHBondContact O-N 3.28Å; R334-Y338 PolarHBondContact O-N 3.42Å |
| 335 | G | 80.3 | Confident | 79.7 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -26.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S333 L339 K473 | S333-G335 PolarHBondContact O-N 3.44Å; G335-L339 PolarHBondContact O-N 3.13Å; G335-K473 WeakPolarHBondContact O-CA 3.39Å |
| 336 | K | 83.4 | Confident | 80.5 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.9 | -36.5 | 173.4 | -48.5 | -174.6 | 177.2 | -165.1 | 0 | 112.2 | S333 R334 L339 L340 M401 L402 S404 | S333-K336 WeakPolarHBondContact O-CA 3.37Å; S333-K336 WeakPolarHBondContact O-CB 3.33Å; S333-K336 PolarHBondContact O-N 3.34Å; R334-K336 PolarHBondContact O-N 2.78Å; K336-L339 PolarHBondContact O-N 3.41Å; K336-L340 PolarHBondContact O-N 2.68Å; K336-M401 WeakPolarHBondContact CD-O 3.21Å; K336-M401 WeakPolarHBondContact CE-O 3.29Å; K336-M401 PolarHBondContact NZ-O 3.06Å; K336-L402 HydrophobicContact CB-CD1 3.59Å; K336-L402 HydrophobicContact CD-CD1 4.12Å; K336-L402 PolarHBondContact NZ-O 2.97Å; K336-S404 PolarHBondContact NZ-O 2.03Å |
| 337 | F | 87.4 | Confident | 81.7 | Confident | 55 Ų | 55 | 44.6 Ų | 44.6 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.5 | -36.6 | 174.1 | -75.2 | -80.6 | 0 | 0 | 0 | 112 | I321 M329 S333 R334 L339 L340 I341 L402 | I321-F337 HydrophobicContact CD1-CB 3.64Å; M329-F337 HydrophobicContact CE-CD1 3.78Å; M329-F337 HydrophobicContact CE-CD2 3.62Å; M329-F337 HydrophobicContact CE-CE1 3.61Å; M329-F337 HydrophobicContact CE-CE2 3.43Å; M329-F337 VanDerWaalsContact CE-CE2 3.43Å; M329-F337 HydrophobicContact CE-CG 3.79Å; M329-F337 HydrophobicContact CE-CZ 3.43Å; M329-F337 VanDerWaalsContact CE-CZ 3.43Å; M329-F337 HydrophobicContact CG-CE2 4.24Å; M329-F337 HydrophobicContact SD-CD2 3.54Å; M329-F337 VanDerWaalsContact SD-CD2 3.54Å; M329-F337 HydrophobicContact SD-CE2 3.65Å; M329-F337 HydrophobicContact SD-CG 4.09Å; M329-F337 HydrophobicContact SD-CZ 4.29Å; S333-F337 WeakPolarHBondContact O-CD2 3.47Å; S333-F337 PolarHBondContact O-N 2.82Å; R334-F337 PolarHBondContact O-N 3.28Å; F337-L339 VanDerWaalsContact C-N 3.33Å; F337-L339 PolarHBondContact O-N 2.87Å; F337-L340 PolarHBondContact O-N 3.06Å; F337-I341 WeakPolarHBondContact O-CB 3.33Å; F337-I341 WeakPolarHBondContact O-CG1 3.47Å; F337-I341 PolarHBondContact O-N 3.16Å; F337-L402 HydrophobicContact CD1-CD1 4.22Å; F337-L402 HydrophobicContact CD1-CD2 4.25Å; F337-L402 HydrophobicContact CD2-CD1 3.94Å; F337-L402 HydrophobicContact CE1-CD1 4.06Å; F337-L402 HydrophobicContact CE1-CD2 3.79Å; F337-L402 HydrophobicContact CE2-CD1 3.78Å; F337-L402 HydrophobicContact CG-CD1 4.16Å; F337-L402 HydrophobicContact CZ-CD1 3.84Å; F337-L402 HydrophobicContact CZ-CD2 4.11Å; F337-L402 HydrophobicContact CZ-CG 4.43Å |
| 338 | Y | 89.8 | Confident | 83 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 172.1 | -56.9 | -29.1 | 0 | 0 | 0 | 112.2 | F242 V246 K318 I321 L322 R334 E342 | F242-Y338 HydrophobicContact CZ-CD1 4.42Å; F242-Y338 HydrophobicContact CZ-CE1 4.03Å; V246-Y338 HydrophobicContact CG1-CE2 3.9Å; V246-Y338 HydrophobicContact CG2-CE2 3.9Å; K318-Y338 HydrophobicContact CB-CD1 4.28Å; K318-Y338 HydrophobicContact CG-CD1 4.27Å; I321-Y338 HydrophobicContact CB-CE1 3.9Å; I321-Y338 HydrophobicContact CD1-CD1 3.86Å; I321-Y338 HydrophobicContact CD1-CE1 3.96Å; I321-Y338 HydrophobicContact CG2-CE1 3.69Å; L322-Y338 VanDerWaalsContact CD2-OH 3.27Å; L322-Y338 WeakPolarHBondContact CD2-OH 3.23Å; R334-Y338 PolarHBondContact O-N 3.42Å; Y338-E342 WeakPolarHBondContact O-CB 3.23Å; Y338-E342 PolarHBondContact O-N 2.94Å |
| 339 | L | 88.6 | Confident | 84 | Confident | 13 Ų | 13 | 35.6 Ų | 35.6 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -50.8 | 172.1 | 167 | 62.5 | 0 | 0 | 0 | 111.7 | G335 K336 F337 I341 E342 E343 A398 W472 K473 | G335-L339 PolarHBondContact O-N 3.13Å; K336-L339 PolarHBondContact O-N 3.41Å; F337-L339 VanDerWaalsContact C-N 3.33Å; F337-L339 PolarHBondContact O-N 2.87Å; L339-I341 PolarHBondContact O-N 3.33Å; L339-E342 PolarHBondContact O-N 3.38Å; L339-E343 HydrophobicContact CD1-CG 3.84Å; L339-E343 WeakPolarHBondContact O-CG 3.35Å; L339-E343 PolarHBondContact O-N 3.41Å; L339-A398 HydrophobicContact CD1-CB 4.41Å; L339-A398 HydrophobicContact CD2-CB 4.25Å; L339-A398 HydrophobicContact CG-CB 3.94Å; L339-W472 HydrophobicContact CD1-CB 4.39Å; L339-K473 HydrophobicContact CB-CG 4.24Å; L339-K473 HydrophobicContact CD2-CG 4.43Å |
| 340 | L | 90.3 | Very high | 85.2 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 12% | 0.12 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | -179.6 | -178.9 | 61.6 | 0 | 0 | 0 | 112.3 | K336 F337 E342 E343 L344 I395 A398 L399 L402 | K336-L340 PolarHBondContact O-N 2.68Å; F337-L340 PolarHBondContact O-N 3.06Å; L340-E342 VanDerWaalsContact C-N 3.34Å; L340-E342 PolarHBondContact O-N 3.34Å; L340-E343 PolarHBondContact O-N 3.49Å; L340-L344 HydrophobicContact CD1-CD1 4.06Å; L340-L344 HydrophobicContact CD1-CG 4.13Å; L340-L344 HydrophobicContact CG-CD1 3.86Å; L340-L344 HydrophobicContact CG-CG 4.39Å; L340-L344 WeakPolarHBondContact O-CB 3.45Å; L340-L344 VanDerWaalsContact O-CG 3.23Å; L340-L344 WeakPolarHBondContact O-CG 3.18Å; L340-L344 PolarHBondContact O-N 3.29Å; L340-I395 HydrophobicContact CD1-CG2 4.28Å; L340-A398 HydrophobicContact CD1-CB 4.25Å; L340-L399 HydrophobicContact CD1-CB 4.41Å; L340-L402 HydrophobicContact CD2-CD2 3.68Å |
| 341 | I | 92.6 | Very high | 86.3 | Confident | 36 Ų | 36 | 34.1 Ų | 34.1 | 19% | 0.185 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 176.6 | -74.2 | 177.6 | 0 | 0 | 0 | 111.5 | T314 L317 K318 I321 F337 L339 S345 | T314-I341 HydrophobicContact CG2-CG2 4.02Å; L317-I341 HydrophobicContact CB-CD1 4.3Å; L317-I341 HydrophobicContact CB-CG2 4.37Å; K318-I341 HydrophobicContact CG-CB 4.43Å; K318-I341 HydrophobicContact CG-CG2 3.85Å; I321-I341 HydrophobicContact CD1-CD1 3.4Å; I321-I341 VanDerWaalsContact CD1-CD1 3.4Å; I321-I341 HydrophobicContact CG1-CD1 4.36Å; F337-I341 WeakPolarHBondContact O-CB 3.33Å; F337-I341 WeakPolarHBondContact O-CG1 3.47Å; F337-I341 PolarHBondContact O-N 3.16Å; L339-I341 PolarHBondContact O-N 3.33Å; I341-S345 VanDerWaalsContact O-CB 3.23Å; I341-S345 WeakPolarHBondContact O-CB 3.5Å; I341-S345 PolarHBondContact O-N 2.89Å |
| 342 | E | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 179.3 | -174.6 | 61.9 | -161.1 | 0 | 0 | 112 | K318 Y338 L339 L340 S345 Q346 W472 T477 S478 | K318-E342 WeakPolarHBondContact CE-OE2 3.21Å; K318-E342 IonicContact NZ-OE2 3.71Å; K318-E342 PolarHBondContact NZ-OE2 3.48Å; Y338-E342 WeakPolarHBondContact O-CB 3.23Å; Y338-E342 PolarHBondContact O-N 2.94Å; L339-E342 PolarHBondContact O-N 3.38Å; L340-E342 VanDerWaalsContact C-N 3.34Å; L340-E342 PolarHBondContact O-N 3.34Å; E342-S345 WeakPolarHBondContact O-CB 3.43Å; E342-S345 PolarHBondContact O-N 2.8Å; E342-Q346 WeakPolarHBondContact O-CB 3.31Å; E342-Q346 WeakPolarHBondContact O-CG 3.38Å; E342-Q346 PolarHBondContact O-N 2.85Å; E342-Q346 PolarHBondContact OE1-NE2 2.85Å; E342-W472 HydrophobicContact CB-CB 3.8Å; E342-W472 HydrophobicContact CB-CD2 4.46Å; E342-W472 HydrophobicContact CB-CG 3.89Å; E342-W472 HydrophobicContact CG-CB 3.81Å; E342-W472 HydrophobicContact CG-CD2 3.49Å; E342-W472 VanDerWaalsContact CG-CD2 3.49Å; E342-W472 HydrophobicContact CG-CE3 3.93Å; E342-W472 HydrophobicContact CG-CG 3.42Å; E342-W472 VanDerWaalsContact CG-CG 3.42Å; E342-T477 WeakPolarHBondContact OE2-CA 3.31Å; E342-T477 PolarHBondContact OE2-OG1 2.86Å; E342-S478 VanDerWaalsContact OE1-CB 3.29Å; E342-S478 WeakPolarHBondContact OE1-CB 3.47Å; E342-S478 PolarHBondContact OE1-N 3.36Å |
| 343 | E | 91.4 | Very high | 88.8 | Confident | 25 Ų | 25 | 25.9 Ų | 25.9 | 12% | 0.117 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 177.6 | -65.4 | -64.9 | 149.7 | 0 | 0 | 111.8 | L339 L340 Q346 L347 A394 I395 A398 W472 | L339-E343 HydrophobicContact CD1-CG 3.84Å; L339-E343 WeakPolarHBondContact O-CG 3.35Å; L339-E343 PolarHBondContact O-N 3.41Å; L340-E343 PolarHBondContact O-N 3.49Å; E343-Q346 PolarHBondContact O-N 3.37Å; E343-L347 PolarHBondContact O-N 3.23Å; E343-L347 VanDerWaalsContact O-N 3.09Å; E343-A394 WeakPolarHBondContact OE2-CB 3.47Å; E343-I395 HydrophobicContact CB-CG1 3.77Å; E343-A398 HydrophobicContact CG-CB 4.25Å; E343-W472 PolarHBondContact OE1-NE1 3.36Å |
| 344 | L | 92.6 | Very high | 89.5 | Confident | 83 Ų | 83 | 25.8 Ų | 25.8 | 44% | 0.435 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 172.3 | -73.7 | 170.2 | 0 | 0 | 0 | 111.9 | L340 L347 F348 I395 | L340-L344 HydrophobicContact CD1-CD1 4.06Å; L340-L344 HydrophobicContact CD1-CG 4.13Å; L340-L344 HydrophobicContact CG-CD1 3.86Å; L340-L344 HydrophobicContact CG-CG 4.39Å; L340-L344 WeakPolarHBondContact O-CB 3.45Å; L340-L344 VanDerWaalsContact O-CG 3.23Å; L340-L344 WeakPolarHBondContact O-CG 3.18Å; L340-L344 PolarHBondContact O-N 3.29Å; L344-L347 PolarHBondContact O-N 2.87Å; L344-F348 PolarHBondContact O-N 3.47Å; L344-I395 HydrophobicContact CD2-CD1 4.11Å; L344-I395 HydrophobicContact CD2-CG1 4.42Å; L344-I395 HydrophobicContact CD2-CG2 3.98Å |
| 345 | S | 93.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 27.2 Ų | 27.2 | 8% | 0.077 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | T314 I341 E342 L347 F348 R349 | T314-S345 VanDerWaalsContact OG1-CB 3.3Å; T314-S345 WeakPolarHBondContact OG1-CB 3.49Å; T314-S345 PolarHBondContact OG1-OG 3.49Å; I341-S345 VanDerWaalsContact O-CB 3.23Å; I341-S345 WeakPolarHBondContact O-CB 3.5Å; I341-S345 PolarHBondContact O-N 2.89Å; E342-S345 WeakPolarHBondContact O-CB 3.43Å; E342-S345 PolarHBondContact O-N 2.8Å; S345-L347 VanDerWaalsContact C-N 3.28Å; S345-L347 PolarHBondContact O-N 2.69Å; S345-F348 PolarHBondContact O-N 3.05Å; S345-F348 VanDerWaalsContact O-N 3.16Å; S345-R349 VanDerWaalsContact O-CB 3.29Å; S345-R349 WeakPolarHBondContact O-CB 3.05Å; S345-R349 WeakPolarHBondContact O-CD 3.46Å; S345-R349 WeakPolarHBondContact O-CG 3.5Å; S345-R349 PolarHBondContact O-N 3.34Å; S345-R349 WeakPolarHBondContact OG-CD 3.3Å |
| 346 | Q | 92.2 | Very high | 90 | Very high | 25 Ų | 25 | 26.5 Ų | 26.5 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67 | -26.2 | 178.6 | -73.7 | -176.5 | 32.2 | 0 | 0 | 113.4 | E342 E343 A350 R391 Q482 | E342-Q346 WeakPolarHBondContact O-CB 3.31Å; E342-Q346 WeakPolarHBondContact O-CG 3.38Å; E342-Q346 PolarHBondContact O-N 2.85Å; E342-Q346 PolarHBondContact OE1-NE2 2.85Å; E343-Q346 PolarHBondContact O-N 3.37Å; Q346-A350 WeakPolarHBondContact O-CB 3.36Å; Q346-A350 PolarHBondContact O-N 3.16Å; Q346-R391 WeakPolarHBondContact O-CD 3.43Å; Q346-R391 PolarHBondContact O-NH1 2.64Å; Q346-Q482 PolarHBondContact O-OE1 3.38Å |
| 347 | L | 92.7 | Very high | 90.1 | Very high | 29 Ų | 29 | 25.7 Ų | 25.7 | 15% | 0.152 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.7 | -49.1 | 166.8 | 174.6 | 62.6 | 0 | 0 | 0 | 111.2 | E343 L344 S345 R349 A350 L351 V388 R391 I395 | E343-L347 PolarHBondContact O-N 3.23Å; E343-L347 VanDerWaalsContact O-N 3.09Å; L344-L347 PolarHBondContact O-N 2.87Å; S345-L347 VanDerWaalsContact C-N 3.28Å; S345-L347 PolarHBondContact O-N 2.69Å; L347-R349 PolarHBondContact O-N 2.84Å; L347-A350 WeakPolarHBondContact O-CA 3.32Å; L347-A350 WeakPolarHBondContact O-CB 3.42Å; L347-A350 PolarHBondContact O-N 3.36Å; L347-L351 HydrophobicContact CD1-CD1 3.98Å; L347-L351 HydrophobicContact CD1-CD2 4.49Å; L347-L351 HydrophobicContact CD1-CG 4.06Å; L347-L351 HydrophobicContact CG-CD1 3.96Å; L347-L351 HydrophobicContact CG-CG 4.43Å; L347-L351 WeakPolarHBondContact O-CG 3.37Å; L347-L351 PolarHBondContact O-N 2.87Å; L347-V388 HydrophobicContact CD1-CG1 3.98Å; L347-R391 HydrophobicContact CB-CB 4.44Å; L347-R391 HydrophobicContact CD1-CB 4.32Å; L347-I395 HydrophobicContact CB-CD1 3.57Å; L347-I395 HydrophobicContact CD2-CD1 3.47Å; L347-I395 VanDerWaalsContact CD2-CD1 3.47Å; L347-I395 HydrophobicContact CG-CD1 4.13Å |
| 348 | F | 92 | Very high | 90 | Very high | 81 Ų | 81 | 27 Ų | 27 | 36% | 0.355 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -61.9 | -44.1 | -176.8 | -170.2 | -125.8 | 0 | 0 | 0 | 112.4 | F286 L310 L344 S345 A350 L351 V352 | F286-F348 AromaticContact CE2-CE2 3.75Å; F286-F348 HydrophobicContact CE2-CE2 3.75Å; F286-F348 HydrophobicContact CZ-CD2 4.22Å; F286-F348 AromaticContact CZ-CE2 3.79Å; F286-F348 HydrophobicContact CZ-CE2 3.79Å; L310-F348 HydrophobicContact CD1-CD1 4.07Å; L310-F348 HydrophobicContact CD1-CE1 4.37Å; L310-F348 HydrophobicContact CD2-CD1 3.57Å; L310-F348 HydrophobicContact CD2-CE1 3.39Å; L310-F348 HydrophobicContact CG-CD1 4.44Å; L344-F348 PolarHBondContact O-N 3.47Å; S345-F348 PolarHBondContact O-N 3.05Å; S345-F348 VanDerWaalsContact O-N 3.16Å; F348-A350 PolarHBondContact O-N 3.29Å; F348-L351 PolarHBondContact O-N 2.97Å; F348-L351 VanDerWaalsContact O-N 3.08Å; F348-V352 HydrophobicContact CD1-CG2 4.5Å; F348-V352 HydrophobicContact CD2-CG2 4.27Å; F348-V352 HydrophobicContact CE1-CG2 4.22Å; F348-V352 HydrophobicContact CE2-CG2 3.94Å; F348-V352 HydrophobicContact CZ-CG2 3.91Å; F348-V352 WeakPolarHBondContact O-CG2 3.23Å; F348-V352 PolarHBondContact O-N 3.28Å |
| 349 | R | 92.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.8 | -30.6 | 171.7 | -71.3 | 162.7 | 46.6 | 66.5 | 14 | 113.5 | D307 L310 S345 L347 P353 H480 Q482 | D307-R349 PolarHBondContact O-NH1 3.35Å; D307-R349 IonicContact OD1-CZ 3.1Å; D307-R349 VanDerWaalsContact OD1-CZ 3.25Å; D307-R349 IonicContact OD1-NH1 2.81Å; D307-R349 PolarHBondContact OD1-NH1 2.97Å; D307-R349 IonicContact OD1-NH2 3.25Å; D307-R349 PolarHBondContact OD1-NH2 3.36Å; D307-R349 IonicContact OD2-CZ 3.05Å; D307-R349 IonicContact OD2-NH1 3.29Å; D307-R349 PolarHBondContact OD2-NH1 3.3Å; D307-R349 IonicContact OD2-NH2 3.47Å; D307-R349 PolarHBondContact OD2-NH2 3.28Å; L310-R349 HydrophobicContact CB-CG 3.68Å; L310-R349 HydrophobicContact CD1-CB 4.23Å; L310-R349 HydrophobicContact CD1-CG 3.67Å; L310-R349 HydrophobicContact CG-CG 4.34Å; S345-R349 VanDerWaalsContact O-CB 3.29Å; S345-R349 WeakPolarHBondContact O-CB 3.05Å; S345-R349 WeakPolarHBondContact O-CD 3.46Å; S345-R349 WeakPolarHBondContact O-CG 3.5Å; S345-R349 PolarHBondContact O-N 3.34Å; S345-R349 WeakPolarHBondContact OG-CD 3.3Å; L347-R349 PolarHBondContact O-N 2.84Å; R349-P353 WeakPolarHBondContact O-CD 3.25Å; R349-H480 PolarHBondContact NH2-O 3.28Å; R349-Q482 VanDerWaalsContact C-OE1 3.25Å |
| 350 | A | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -78.7 | -30.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q346 L347 F348 K384 Q482 | Q346-A350 WeakPolarHBondContact O-CB 3.36Å; Q346-A350 PolarHBondContact O-N 3.16Å; L347-A350 WeakPolarHBondContact O-CA 3.32Å; L347-A350 WeakPolarHBondContact O-CB 3.42Å; L347-A350 PolarHBondContact O-N 3.36Å; F348-A350 PolarHBondContact O-N 3.29Å; A350-K384 WeakPolarHBondContact O-CE 3.39Å; A350-K384 PolarHBondContact O-NZ 2.75Å; A350-Q482 VanDerWaalsContact N-OE1 3.12Å |
| 351 | L | 90.2 | Very high | 89 | Confident | 57 Ų | 57 | 29 Ų | 29 | 30% | 0.298 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -79.6 | -39.3 | -179.1 | -67.4 | 172.6 | 0 | 0 | 0 | 112.8 | F286 L347 F348 V354 V388 | F286-L351 HydrophobicContact CE1-CB 3.96Å; F286-L351 HydrophobicContact CZ-CB 3.95Å; L347-L351 HydrophobicContact CD1-CD1 3.98Å; L347-L351 HydrophobicContact CD1-CD2 4.49Å; L347-L351 HydrophobicContact CD1-CG 4.06Å; L347-L351 HydrophobicContact CG-CD1 3.96Å; L347-L351 HydrophobicContact CG-CG 4.43Å; L347-L351 WeakPolarHBondContact O-CG 3.37Å; L347-L351 PolarHBondContact O-N 2.87Å; F348-L351 PolarHBondContact O-N 2.97Å; F348-L351 VanDerWaalsContact O-N 3.08Å; L351-V354 WeakPolarHBondContact O-CB 3.15Å; L351-V354 VanDerWaalsContact O-CG2 3.23Å; L351-V354 WeakPolarHBondContact O-CG2 3.22Å; L351-V354 PolarHBondContact O-N 2.97Å; L351-V388 HydrophobicContact CD2-CG1 4.46Å; L351-V388 HydrophobicContact CD2-CG2 3.86Å |
| 352 | V | 89.6 | Confident | 88.3 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -39.9 | -173.5 | 165.6 | 0 | 0 | 0 | 0 | 114.7 | S283 F286 T306 L310 F348 V354 | S283-V352 WeakPolarHBondContact O-CG1 3.48Å; F286-V352 HydrophobicContact CE1-CG2 4.16Å; F286-V352 HydrophobicContact CZ-CG2 4.14Å; T306-V352 HydrophobicContact CG2-CG1 3.49Å; T306-V352 VanDerWaalsContact CG2-CG1 3.49Å; L310-V352 HydrophobicContact CD1-CB 4.28Å; L310-V352 HydrophobicContact CD1-CG2 4.15Å; F348-V352 HydrophobicContact CD1-CG2 4.5Å; F348-V352 HydrophobicContact CD2-CG2 4.27Å; F348-V352 HydrophobicContact CE1-CG2 4.22Å; F348-V352 HydrophobicContact CE2-CG2 3.94Å; F348-V352 HydrophobicContact CZ-CG2 3.91Å; F348-V352 WeakPolarHBondContact O-CG2 3.23Å; F348-V352 PolarHBondContact O-N 3.28Å; V352-V354 PolarHBondContact O-N 3.09Å |
| 353 | P | 89.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.7 | 175.1 | -24.8 | 35.7 | 0 | 0 | 0 | 114.6 | V303 R349 Q355 L356 W357 | V303-P353 HydrophobicContact CG1-CB 4.23Å; V303-P353 HydrophobicContact CG1-CG 4.04Å; V303-P353 HydrophobicContact CG2-CB 4.07Å; R349-P353 WeakPolarHBondContact O-CD 3.25Å; P353-Q355 VanDerWaalsContact C-N 3.34Å; P353-Q355 PolarHBondContact O-N 3.48Å; P353-L356 WeakPolarHBondContact O-CB 3.39Å; P353-L356 PolarHBondContact O-N 3.42Å; P353-W357 VanDerWaalsContact O-CD1 3.27Å; P353-W357 PolarHBondContact O-N 3.36Å |
| 354 | V | 88.8 | Confident | 85.9 | Confident | 25 Ų | 25 | 40 Ų | 40 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.9 | -44.9 | -168.5 | 172.1 | 0 | 0 | 0 | 0 | 112.8 | L351 V352 L356 W357 Y358 Y380 K384 | L351-V354 WeakPolarHBondContact O-CB 3.15Å; L351-V354 VanDerWaalsContact O-CG2 3.23Å; L351-V354 WeakPolarHBondContact O-CG2 3.22Å; L351-V354 PolarHBondContact O-N 2.97Å; V352-V354 PolarHBondContact O-N 3.09Å; V354-L356 VanDerWaalsContact C-N 3.32Å; V354-L356 PolarHBondContact O-N 3.41Å; V354-W357 PolarHBondContact O-N 2.83Å; V354-Y358 HydrophobicContact CG1-CD2 3.6Å; V354-Y358 HydrophobicContact CG1-CE2 3.23Å; V354-Y358 VanDerWaalsContact O-CD2 3.24Å; V354-Y358 WeakPolarHBondContact O-CD2 3.46Å; V354-Y358 PolarHBondContact O-N 3.35Å; V354-Y380 HydrophobicContact CG1-CE1 4.34Å; V354-K384 HydrophobicContact CG2-CD 4.24Å; V354-K384 HydrophobicContact CG2-CG 3.92Å |
| 355 | Q | 85.6 | Confident | 84.4 | Confident | 41 Ų | 41 | 42.2 Ų | 42.2 | 19% | 0.192 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -35.2 | 178.6 | 58.5 | 175.4 | -7.9 | 0 | 0 | 113 | S283 F286 P353 Y358 K359 | S283-Q355 PolarHBondContact O-NE2 2.96Å; F286-Q355 PolarHBondContact O-OE1 3.39Å; P353-Q355 VanDerWaalsContact C-N 3.34Å; P353-Q355 PolarHBondContact O-N 3.48Å; Q355-Y358 PolarHBondContact O-N 2.84Å; Q355-K359 PolarHBondContact O-N 2.88Å |
| 356 | L | 84.7 | Confident | 82.8 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.6 | -39.9 | -178.7 | -49.6 | 177.6 | 0 | 0 | 0 | 109.3 | P289 F294 L299 V302 V303 P353 V354 K359 Y360 | P289-L356 HydrophobicContact CG-CD2 4.14Å; F294-L356 HydrophobicContact CE1-CB 4.29Å; F294-L356 HydrophobicContact CZ-CD2 4.05Å; L299-L356 HydrophobicContact CD1-CB 3.46Å; L299-L356 VanDerWaalsContact CD1-CB 3.46Å; V302-L356 HydrophobicContact CG1-CD1 3.78Å; V303-L356 HydrophobicContact CG2-CB 4.43Å; V303-L356 HydrophobicContact CG2-CD1 3.68Å; P353-L356 WeakPolarHBondContact O-CB 3.39Å; P353-L356 PolarHBondContact O-N 3.42Å; V354-L356 VanDerWaalsContact C-N 3.32Å; V354-L356 PolarHBondContact O-N 3.41Å; L356-K359 PolarHBondContact O-N 3.12Å; L356-Y360 WeakPolarHBondContact O-CB 3.5Å; L356-Y360 PolarHBondContact O-N 3.19Å |
| 357 | W | 87 | Confident | 81.3 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 3% | 0.034 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 170.5 | -79.3 | 105.1 | 0 | 0 | 0 | 113.2 | L177 F296 L299 I300 P353 V354 Y360 I361 Y380 I483 | L177-W357 HydrophobicContact CD1-CH2 3.89Å; L177-W357 HydrophobicContact CD1-CZ3 4.38Å; L177-W357 HydrophobicContact CD2-CH2 3.81Å; L177-W357 HydrophobicContact CD2-CZ3 3.67Å; L177-W357 HydrophobicContact CG-CH2 4.07Å; L177-W357 HydrophobicContact CG-CZ3 4.06Å; F296-W357 HydrophobicContact CE2-CH2 4.47Å; L299-W357 HydrophobicContact CD2-CD2 4.03Å; L299-W357 HydrophobicContact CD2-CE3 3.89Å; L299-W357 HydrophobicContact CD2-CH2 3.66Å; L299-W357 HydrophobicContact CD2-CZ2 3.82Å; L299-W357 HydrophobicContact CD2-CZ3 3.71Å; L299-W357 HydrophobicContact CG-CZ2 4.45Å; I300-W357 HydrophobicContact CD1-CZ2 4.29Å; P353-W357 VanDerWaalsContact O-CD1 3.27Å; P353-W357 PolarHBondContact O-N 3.36Å; V354-W357 PolarHBondContact O-N 2.83Å; W357-Y360 HydrophobicContact CE3-CD1 4.1Å; W357-Y360 AromaticContact CZ3-CD1 3.88Å; W357-Y360 HydrophobicContact CZ3-CD1 3.88Å; W357-Y360 HydrophobicContact CZ3-CE1 4.17Å; W357-Y360 PolarHBondContact O-N 3Å; W357-I361 HydrophobicContact CB-CD1 4.43Å; W357-I361 HydrophobicContact CE3-CD1 4.27Å; W357-I361 HydrophobicContact CE3-CG1 4.3Å; W357-I361 WeakPolarHBondContact O-CB 3.46Å; W357-I361 WeakPolarHBondContact O-CG1 3.03Å; W357-I361 PolarHBondContact O-N 3.38Å; W357-Y380 HydrophobicContact CB-CE1 3.92Å; W357-Y380 HydrophobicContact CB-CE2 4.01Å; W357-Y380 HydrophobicContact CG-CE2 4.08Å; W357-Y380 AromaticContact CG-CZ 3.96Å; W357-I483 HydrophobicContact CZ2-CG2 4.21Å; W357-I483 PolarHBondContact NE1-O 3.39Å |
| 358 | Y | 85.1 | Confident | 79.4 | Confident | 82 Ų | 82 | 56.9 Ų | 56.9 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.8 | -76.6 | -51.2 | 0 | 0 | 0 | 111.9 | V354 Q355 Y360 I361 M362 I377 Y380 S381 | V354-Y358 HydrophobicContact CG1-CD2 3.6Å; V354-Y358 HydrophobicContact CG1-CE2 3.23Å; V354-Y358 VanDerWaalsContact O-CD2 3.24Å; V354-Y358 WeakPolarHBondContact O-CD2 3.46Å; V354-Y358 PolarHBondContact O-N 3.35Å; Q355-Y358 PolarHBondContact O-N 2.84Å; Y358-Y360 PolarHBondContact O-N 3.48Å; Y358-I361 PolarHBondContact O-N 3.13Å; Y358-M362 VanDerWaalsContact O-CB 3.27Å; Y358-M362 WeakPolarHBondContact O-CB 3.42Å; Y358-M362 PolarHBondContact O-N 3.39Å; Y358-I377 HydrophobicContact CD1-CG1 4.35Å; Y358-I377 HydrophobicContact CD1-CG2 4.21Å; Y358-I377 HydrophobicContact CE1-CG2 4.01Å; Y358-Y380 HydrophobicContact CD1-CD1 4.19Å; Y358-Y380 AromaticContact CE1-CD1 3.77Å; Y358-Y380 HydrophobicContact CE1-CD1 3.77Å; Y358-Y380 HydrophobicContact CE1-CE1 4.28Å; Y358-S381 WeakPolarHBondContact CE1-OG 3.16Å; Y358-S381 PolarHBondContact OH-OG 3.1Å |
| 359 | K | 80.9 | Confident | 78.2 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.8 | -51.8 | 174.7 | -175.3 | -175.8 | 176 | -171.4 | 0 | 110.5 | L291 F294 Q355 L356 G363 | L291-K359 PolarHBondContact O-NZ 2.94Å; F294-K359 HydrophobicContact CB-CD 4.42Å; F294-K359 HydrophobicContact CD1-CD 4.22Å; F294-K359 HydrophobicContact CD2-CD 3.78Å; F294-K359 HydrophobicContact CE1-CD 4.43Å; F294-K359 HydrophobicContact CE2-CD 3.93Å; F294-K359 HydrophobicContact CG-CD 3.88Å; F294-K359 HydrophobicContact CZ-CD 4.28Å; Q355-K359 PolarHBondContact O-N 2.88Å; L356-K359 PolarHBondContact O-N 3.12Å; K359-G363 PolarHBondContact O-N 3.49Å |
| 360 | Y | 81.9 | Confident | 77.5 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 11% | 0.106 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | -178.9 | 177.3 | -105.6 | 0 | 0 | 0 | 113 | L177 K180 F296 L299 L356 W357 Y358 | L177-Y360 HydrophobicContact CD2-CE1 4.02Å; K180-Y360 HydrophobicContact CD-CE1 4.22Å; K180-Y360 PolarHBondContact NZ-O 3.47Å; F296-Y360 HydrophobicContact CB-CE2 4.13Å; F296-Y360 HydrophobicContact CD2-CE1 4.36Å; L299-Y360 HydrophobicContact CD2-CD1 3.66Å; L299-Y360 HydrophobicContact CD2-CD2 4.18Å; L299-Y360 HydrophobicContact CD2-CE1 4.31Å; L299-Y360 HydrophobicContact CD2-CG 3.59Å; L356-Y360 WeakPolarHBondContact O-CB 3.5Å; L356-Y360 PolarHBondContact O-N 3.19Å; W357-Y360 HydrophobicContact CE3-CD1 4.1Å; W357-Y360 AromaticContact CZ3-CD1 3.88Å; W357-Y360 HydrophobicContact CZ3-CD1 3.88Å; W357-Y360 HydrophobicContact CZ3-CE1 4.17Å; W357-Y360 PolarHBondContact O-N 3Å; Y358-Y360 PolarHBondContact O-N 3.48Å |
| 361 | I | 83.1 | Confident | 76.9 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.015 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.1 | -42.5 | -178.2 | -65.2 | 165.9 | 0 | 0 | 0 | 110.6 | I176 K180 W357 Y358 G363 L376 I377 Y380 | I176-I361 HydrophobicContact CG2-CD1 4.23Å; K180-I361 PolarHBondContact NZ-O 3.29Å; W357-I361 HydrophobicContact CB-CD1 4.43Å; W357-I361 HydrophobicContact CE3-CD1 4.27Å; W357-I361 HydrophobicContact CE3-CG1 4.3Å; W357-I361 WeakPolarHBondContact O-CB 3.46Å; W357-I361 WeakPolarHBondContact O-CG1 3.03Å; W357-I361 PolarHBondContact O-N 3.38Å; Y358-I361 PolarHBondContact O-N 3.13Å; I361-G363 VanDerWaalsContact C-N 3.34Å; I361-G363 PolarHBondContact O-N 2.93Å; I361-L376 HydrophobicContact CG2-CB 3.64Å; I361-I377 HydrophobicContact CB-CG1 4.28Å; I361-I377 HydrophobicContact CG2-CG1 3.74Å; I361-Y380 HydrophobicContact CD1-CD1 4.28Å; I361-Y380 HydrophobicContact CD1-CD2 4.04Å; I361-Y380 HydrophobicContact CD1-CG 3.8Å |
| 362 | M | 78.1 | Confident | 76.5 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 61% | 0.606 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.4 | -39.5 | -179.5 | -160.9 | 161.5 | -172.6 | 0 | 0 | 112.3 | Y358 I377 | Y358-M362 VanDerWaalsContact O-CB 3.27Å; Y358-M362 WeakPolarHBondContact O-CB 3.42Å; Y358-M362 PolarHBondContact O-N 3.39Å; M362-I377 HydrophobicContact CB-CD1 3.94Å; M362-I377 HydrophobicContact CG-CD1 4.07Å; M362-I377 HydrophobicContact SD-CD1 4.4Å |
| 363 | G | 70.1 | Confident | 76.1 | Confident | 40 Ų | 40 | 70 Ų | 70 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | trans | 72.1 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K359 I361 | K359-G363 PolarHBondContact O-N 3.49Å; I361-G363 VanDerWaalsContact C-N 3.34Å; I361-G363 PolarHBondContact O-N 2.93Å | ||
| 364 | E | 63.5 | Low | 75.9 | Confident | 130 Ų | 130 | 71.2 Ų | 71.2 | 61% | 0.607 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -103.3 | -18.7 | -173.8 | -62.5 | -177.4 | 174.7 | 0 | 0 | 113.2 | P366 | E364-P366 WeakPolarHBondContact O-CD 3.09Š|
| 365 | D | 60.6 | Low | 75.8 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 69% | 0.69 | 38% | 0.383 | S | S | * | . | trans | -94.3 | 113.8 | -178 | -75.2 | -48.2 | 0 | 0 | 0 | 113.6 | S367 | D365-S367 PolarHBondContact O-N 3.17Š| ||
| 366 | P | 59.7 | Low | 75.8 | Confident | 110 Ų | 110 | 71 Ų | 71 | 71% | 0.714 | 38% | 0.377 | S | S | * | . | trans | -76 | -16.5 | -175.9 | -19 | 33.7 | 0 | 0 | 0 | 115.6 | E364 | E364-P366 WeakPolarHBondContact O-CD 3.09Š| ||
| 367 | S | 61.5 | Low | 76 | Confident | 107 Ų | 107 | 72.5 Ų | 72.5 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -92.1 | -19.6 | -149.3 | 56.7 | 0 | 0 | 0 | 0 | 117.1 | D365 | D365-S367 PolarHBondContact O-N 3.17Š|
| 368 | N | 53.5 | Low | 76.2 | Confident | 156 Ų | 156 | 76.9 Ų | 76.9 | 83% | 0.834 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -139.3 | -1.7 | -172.8 | -128.8 | 4.5 | 0 | 0 | 0 | 116.1 | ||
| 369 | S | 66.4 | Low | 76.4 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 20% | 0.203 | 41% | 0.41 | C | S | . | . | trans | -138.4 | 14 | -175.7 | 55.8 | 0 | 0 | 0 | 0 | 115.7 | F371 L372 G373 | S369-F371 VanDerWaalsContact C-N 3.3Å; S369-F371 PolarHBondContact O-N 2.87Å; S369-L372 PolarHBondContact O-N 3.29Å; S369-L372 VanDerWaalsContact O-N 3.1Å; S369-G373 PolarHBondContact O-N 3.34Å | ||
| 370 | Y | 76.2 | Confident | 76.8 | Confident | 175 Ų | 175 | 73.8 Ų | 73.8 | 69% | 0.686 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -54.4 | -43 | -179.4 | -176.2 | -96.1 | 0 | 0 | 0 | 113 | L372 G373 A374 | Y370-L372 PolarHBondContact O-N 3.43Å; Y370-G373 PolarHBondContact O-N 2.82Å; Y370-A374 VanDerWaalsContact O-CB 3.3Å; Y370-A374 WeakPolarHBondContact O-CB 3.28Å; Y370-A374 PolarHBondContact O-N 3.25Å |
| 371 | F | 79.9 | Confident | 77.3 | Confident | 175 Ų | 175 | 74 Ų | 74 | 77% | 0.768 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 178 | -174.8 | -95.4 | 0 | 0 | 0 | 112.7 | S369 T375 | S369-F371 VanDerWaalsContact C-N 3.3Å; S369-F371 PolarHBondContact O-N 2.87Å; F371-T375 WeakPolarHBondContact O-CB 3.21Å; F371-T375 PolarHBondContact O-N 3.12Å; F371-T375 PolarHBondContact O-OG1 2.75Å |
| 372 | L | 80.4 | Confident | 77.6 | Confident | 32 Ų | 32 | 78.5 Ų | 78.5 | 17% | 0.168 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.5 | -48.3 | 174.8 | -178 | 79.7 | 0 | 0 | 0 | 110.6 | F183 S369 Y370 A374 T375 L376 | F183-L372 HydrophobicContact CB-CD1 4.39Å; F183-L372 HydrophobicContact CB-CD2 3.6Å; F183-L372 HydrophobicContact CD1-CD2 3.65Å; F183-L372 HydrophobicContact CD2-CD1 4.17Å; F183-L372 HydrophobicContact CD2-CD2 4.45Å; F183-L372 HydrophobicContact CE1-CD2 4.43Å; F183-L372 HydrophobicContact CG-CD1 4.17Å; F183-L372 HydrophobicContact CG-CD2 3.64Å; F183-L372 HydrophobicContact CG-CG 4.46Å; S369-L372 PolarHBondContact O-N 3.29Å; S369-L372 VanDerWaalsContact O-N 3.1Å; Y370-L372 PolarHBondContact O-N 3.43Å; L372-A374 PolarHBondContact O-N 3.49Å; L372-T375 PolarHBondContact O-N 2.86Å; L372-L376 HydrophobicContact CD1-CD1 4.33Å; L372-L376 HydrophobicContact CD1-CG 4.35Å; L372-L376 HydrophobicContact CD2-CD1 4.23Å; L372-L376 HydrophobicContact CG-CD1 3.92Å; L372-L376 HydrophobicContact CG-CG 4.22Å; L372-L376 WeakPolarHBondContact O-CB 3.42Å; L372-L376 WeakPolarHBondContact O-CG 3.5Å; L372-L376 PolarHBondContact O-N 3.36Å |
| 373 | G | 82.2 | Confident | 78.1 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 10% | 0.103 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.3 | -49.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S369 Y370 T375 L376 I377 | S369-G373 PolarHBondContact O-N 3.34Å; Y370-G373 PolarHBondContact O-N 2.82Å; G373-T375 PolarHBondContact O-N 3.34Å; G373-L376 PolarHBondContact O-N 3.27Å; G373-I377 WeakPolarHBondContact O-CB 3.3Å; G373-I377 VanDerWaalsContact O-CG1 3.22Å; G373-I377 WeakPolarHBondContact O-CG1 3.3Å; G373-I377 PolarHBondContact O-N 3.42Å |
| 374 | A | 84.6 | Confident | 79 | Confident | 32 Ų | 32 | 72.7 Ų | 72.7 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y370 L372 I377 I378 | Y370-A374 VanDerWaalsContact O-CB 3.3Å; Y370-A374 WeakPolarHBondContact O-CB 3.28Å; Y370-A374 PolarHBondContact O-N 3.25Å; L372-A374 PolarHBondContact O-N 3.49Å; A374-I377 PolarHBondContact O-N 3.46Å; A374-I378 WeakPolarHBondContact O-CD1 3.05Å; A374-I378 VanDerWaalsContact O-CG1 3.3Å; A374-I378 WeakPolarHBondContact O-CG1 3.42Å; A374-I378 PolarHBondContact O-N 2.98Å |
| 375 | T | 86.1 | Confident | 80.3 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 31% | 0.307 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | F371 L372 G373 I378 I379 | F371-T375 WeakPolarHBondContact O-CB 3.21Å; F371-T375 PolarHBondContact O-N 3.12Å; F371-T375 PolarHBondContact O-OG1 2.75Å; L372-T375 PolarHBondContact O-N 2.86Å; G373-T375 PolarHBondContact O-N 3.34Å; T375-I378 PolarHBondContact O-N 2.93Å; T375-I379 HydrophobicContact CG2-CD1 3.96Å; T375-I379 VanDerWaalsContact O-CG1 3.31Å; T375-I379 WeakPolarHBondContact O-CG1 3.42Å; T375-I379 PolarHBondContact O-N 2.89Å |
| 376 | L | 86.8 | Confident | 81.6 | Confident | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.2 | -37 | 177.8 | -66.5 | 179.5 | 0 | 0 | 0 | 112.1 | I176 A179 K180 I361 L372 G373 I379 Y380 | I176-L376 HydrophobicContact CB-CD2 4.49Å; I176-L376 HydrophobicContact CG1-CD2 4.39Å; I176-L376 HydrophobicContact CG2-CB 4.37Å; I176-L376 HydrophobicContact CG2-CD2 4.23Å; A179-L376 HydrophobicContact CB-CD2 4.13Å; K180-L376 HydrophobicContact CB-CD1 3.84Å; K180-L376 HydrophobicContact CG-CD1 4.42Å; I361-L376 HydrophobicContact CG2-CB 3.64Å; L372-L376 HydrophobicContact CD1-CD1 4.33Å; L372-L376 HydrophobicContact CD1-CG 4.35Å; L372-L376 HydrophobicContact CD2-CD1 4.23Å; L372-L376 HydrophobicContact CG-CD1 3.92Å; L372-L376 HydrophobicContact CG-CG 4.22Å; L372-L376 WeakPolarHBondContact O-CB 3.42Å; L372-L376 WeakPolarHBondContact O-CG 3.5Å; L372-L376 PolarHBondContact O-N 3.36Å; G373-L376 PolarHBondContact O-N 3.27Å; L376-I379 PolarHBondContact O-N 2.91Å; L376-Y380 VanDerWaalsContact O-CB 3.24Å; L376-Y380 WeakPolarHBondContact O-CB 3.47Å; L376-Y380 PolarHBondContact O-N 3.36Å |
| 377 | I | 89.2 | Confident | 82.9 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 171.7 | -77.2 | 169.1 | 0 | 0 | 0 | 110.2 | Y358 I361 M362 G373 A374 I379 Y380 S381 | Y358-I377 HydrophobicContact CD1-CG1 4.35Å; Y358-I377 HydrophobicContact CD1-CG2 4.21Å; Y358-I377 HydrophobicContact CE1-CG2 4.01Å; I361-I377 HydrophobicContact CB-CG1 4.28Å; I361-I377 HydrophobicContact CG2-CG1 3.74Å; M362-I377 HydrophobicContact CB-CD1 3.94Å; M362-I377 HydrophobicContact CG-CD1 4.07Å; M362-I377 HydrophobicContact SD-CD1 4.4Å; G373-I377 WeakPolarHBondContact O-CB 3.3Å; G373-I377 VanDerWaalsContact O-CG1 3.22Å; G373-I377 WeakPolarHBondContact O-CG1 3.3Å; G373-I377 PolarHBondContact O-N 3.42Å; A374-I377 PolarHBondContact O-N 3.46Å; I377-I379 PolarHBondContact O-N 3.12Å; I377-Y380 PolarHBondContact O-N 3.32Å; I377-S381 WeakPolarHBondContact O-CB 3.26Å; I377-S381 PolarHBondContact O-N 3.1Å; I377-S381 PolarHBondContact O-OG 3.2Å |
| 378 | I | 90.4 | Very high | 84.3 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 179.3 | -70.1 | 160.5 | 0 | 0 | 0 | 111.1 | A374 T375 S381 L382 | A374-I378 WeakPolarHBondContact O-CD1 3.05Å; A374-I378 VanDerWaalsContact O-CG1 3.3Å; A374-I378 WeakPolarHBondContact O-CG1 3.42Å; A374-I378 PolarHBondContact O-N 2.98Å; T375-I378 PolarHBondContact O-N 2.93Å; I378-S381 PolarHBondContact O-N 3.2Å; I378-L382 HydrophobicContact CG2-CD1 4.01Å; I378-L382 VanDerWaalsContact O-CG 3.31Å; I378-L382 WeakPolarHBondContact O-CG 2.93Å; I378-L382 PolarHBondContact O-N 2.69Å |
| 379 | I | 88.7 | Confident | 86.1 | Confident | 73 Ų | 73 | 60 Ų | 60 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 178.7 | -60.4 | 166.1 | 0 | 0 | 0 | 110.4 | I176 T375 L376 I377 L382 C383 | I176-I379 HydrophobicContact CD1-CB 4.42Å; I176-I379 HydrophobicContact CD1-CG2 3.98Å; I176-I379 HydrophobicContact CG1-CG2 4.19Å; T375-I379 HydrophobicContact CG2-CD1 3.96Å; T375-I379 VanDerWaalsContact O-CG1 3.31Å; T375-I379 WeakPolarHBondContact O-CG1 3.42Å; T375-I379 PolarHBondContact O-N 2.89Å; L376-I379 PolarHBondContact O-N 2.91Å; I377-I379 PolarHBondContact O-N 3.12Å; I379-L382 PolarHBondContact O-N 3.42Å; I379-C383 WeakPolarHBondContact O-CB 3.39Å; I379-C383 PolarHBondContact O-N 3.37Å; I379-C383 PolarHBondContact O-SG 3.24Å; I379-C383 VanDerWaalsContact O-SG 3.36Å |
| 380 | Y | 90.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.3 | -50.7 | 174.7 | -179.8 | -101.5 | 0 | 0 | 0 | 111.2 | F173 I176 V354 W357 Y358 I361 L376 I377 L382 C383 K384 Y484 | F173-Y380 AromaticContact CD1-CD2 3.66Å; F173-Y380 HydrophobicContact CD1-CD2 3.66Å; F173-Y380 AromaticContact CD1-CE2 3.61Å; F173-Y380 HydrophobicContact CD1-CE2 3.61Å; F173-Y380 AromaticContact CE1-CD2 3.69Å; F173-Y380 HydrophobicContact CE1-CD2 3.69Å; F173-Y380 AromaticContact CE1-CE2 3.55Å; F173-Y380 HydrophobicContact CE1-CE2 3.55Å; I176-Y380 HydrophobicContact CD1-CD2 4.46Å; V354-Y380 HydrophobicContact CG1-CE1 4.34Å; W357-Y380 HydrophobicContact CB-CE1 3.92Å; W357-Y380 HydrophobicContact CB-CE2 4.01Å; W357-Y380 HydrophobicContact CG-CE2 4.08Å; W357-Y380 AromaticContact CG-CZ 3.96Å; Y358-Y380 HydrophobicContact CD1-CD1 4.19Å; Y358-Y380 AromaticContact CE1-CD1 3.77Å; Y358-Y380 HydrophobicContact CE1-CD1 3.77Å; Y358-Y380 HydrophobicContact CE1-CE1 4.28Å; I361-Y380 HydrophobicContact CD1-CD1 4.28Å; I361-Y380 HydrophobicContact CD1-CD2 4.04Å; I361-Y380 HydrophobicContact CD1-CG 3.8Å; L376-Y380 VanDerWaalsContact O-CB 3.24Å; L376-Y380 WeakPolarHBondContact O-CB 3.47Å; L376-Y380 PolarHBondContact O-N 3.36Å; I377-Y380 PolarHBondContact O-N 3.32Å; Y380-L382 VanDerWaalsContact C-N 3.32Å; Y380-L382 PolarHBondContact O-N 2.85Å; Y380-C383 PolarHBondContact O-N 2.84Å; Y380-K384 HydrophobicContact CE1-CB 4.42Å; Y380-K384 HydrophobicContact CE1-CG 4.39Å; Y380-K384 WeakPolarHBondContact O-CB 3.33Å; Y380-K384 PolarHBondContact O-N 2.73Å; Y380-Y484 PolarHBondContact OH-OXT 2.71Å |
| 381 | S | 91.4 | Very high | 87.8 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.5 | -44.7 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | Y358 I377 I378 S385 | Y358-S381 WeakPolarHBondContact CE1-OG 3.16Å; Y358-S381 PolarHBondContact OH-OG 3.1Å; I377-S381 WeakPolarHBondContact O-CB 3.26Å; I377-S381 PolarHBondContact O-N 3.1Å; I377-S381 PolarHBondContact O-OG 3.2Å; I378-S381 PolarHBondContact O-N 3.2Å; S381-S385 VanDerWaalsContact O-CB 3.25Å; S381-S385 WeakPolarHBondContact O-CB 3.49Å; S381-S385 PolarHBondContact O-N 2.77Å; S381-S385 PolarHBondContact O-OG 3.3Å |
| 382 | L | 90 | Very high | 88.3 | Confident | 98 Ų | 98 | 50 Ų | 50 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.6 | -54.3 | 178.7 | -71.3 | 170.1 | 0 | 0 | 0 | 111.2 | I378 I379 Y380 K384 S385 F386 | I378-L382 HydrophobicContact CG2-CD1 4.01Å; I378-L382 VanDerWaalsContact O-CG 3.31Å; I378-L382 WeakPolarHBondContact O-CG 2.93Å; I378-L382 PolarHBondContact O-N 2.69Å; I379-L382 PolarHBondContact O-N 3.42Å; Y380-L382 VanDerWaalsContact C-N 3.32Å; Y380-L382 PolarHBondContact O-N 2.85Å; L382-K384 VanDerWaalsContact C-N 3.26Å; L382-K384 PolarHBondContact O-N 2.95Å; L382-S385 PolarHBondContact O-N 3.41Å; L382-F386 WeakPolarHBondContact O-CD2 3.32Å; L382-F386 PolarHBondContact O-N 3.44Å; L382-F386 VanDerWaalsContact O-N 3.11Å |
| 383 | C | 88.1 | Confident | 88.7 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 24% | 0.236 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.6 | -41.7 | 178.3 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | P172 F173 I379 Y380 F386 D387 | P172-C383 HydrophobicContact CB-CB 4.49Å; F173-C383 HydrophobicContact CE1-CB 4.14Å; F173-C383 HydrophobicContact CE2-CB 4.42Å; F173-C383 HydrophobicContact CZ-CB 3.81Å; I379-C383 WeakPolarHBondContact O-CB 3.39Å; I379-C383 PolarHBondContact O-N 3.37Å; I379-C383 PolarHBondContact O-SG 3.24Å; I379-C383 VanDerWaalsContact O-SG 3.36Å; Y380-C383 PolarHBondContact O-N 2.84Å; C383-F386 PolarHBondContact O-N 2.92Å; C383-D387 PolarHBondContact O-N 3.41Å |
| 384 | K | 90.3 | Very high | 88.9 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.7 | -37.6 | 179.7 | -163.6 | 62.9 | 171.5 | 172.7 | 0 | 112.5 | F173 A350 V354 Y380 L382 F386 D387 V388 Y484 | F173-K384 HydrophobicContact CE1-CD 4.42Å; F173-K384 HydrophobicContact CZ-CD 4.5Å; A350-K384 WeakPolarHBondContact O-CE 3.39Å; A350-K384 PolarHBondContact O-NZ 2.75Å; V354-K384 HydrophobicContact CG2-CD 4.24Å; V354-K384 HydrophobicContact CG2-CG 3.92Å; Y380-K384 HydrophobicContact CE1-CB 4.42Å; Y380-K384 HydrophobicContact CE1-CG 4.39Å; Y380-K384 WeakPolarHBondContact O-CB 3.33Å; Y380-K384 PolarHBondContact O-N 2.73Å; L382-K384 VanDerWaalsContact C-N 3.26Å; L382-K384 PolarHBondContact O-N 2.95Å; K384-F386 VanDerWaalsContact C-N 3.35Å; K384-F386 PolarHBondContact O-N 3.23Å; K384-D387 PolarHBondContact O-N 2.95Å; K384-V388 WeakPolarHBondContact O-CB 3.39Å; K384-V388 WeakPolarHBondContact O-CG2 3.42Å; K384-V388 PolarHBondContact O-N 3.08Å; K384-Y484 VanDerWaalsContact CE-OXT 3.24Å; K384-Y484 WeakPolarHBondContact CE-OXT 3.32Å; K384-Y484 PolarHBondContact NZ-O 3.1Å; K384-Y484 PolarHBondContact NZ-OXT 2.65Å |
| 385 | S | 89.4 | Confident | 89.2 | Confident | 67 Ų | 67 | 51.1 Ų | 51.1 | 47% | 0.469 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 174.5 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | S381 L382 V388 C389 | S381-S385 VanDerWaalsContact O-CB 3.25Å; S381-S385 WeakPolarHBondContact O-CB 3.49Å; S381-S385 PolarHBondContact O-N 2.77Å; S381-S385 PolarHBondContact O-OG 3.3Å; L382-S385 PolarHBondContact O-N 3.41Å; S385-V388 PolarHBondContact O-N 3.01Å; S385-C389 WeakPolarHBondContact O-CB 3.42Å; S385-C389 PolarHBondContact O-N 3.04Å; S385-C389 PolarHBondContact O-SG 3.46Å |
| 386 | F | 89 | Confident | 89.3 | Confident | 158 Ų | 158 | 57.1 Ų | 57.1 | 69% | 0.693 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.9 | -43 | 175.5 | -72.1 | -64.6 | 0 | 0 | 0 | 112.7 | L382 C383 K384 C389 G390 | L382-F386 WeakPolarHBondContact O-CD2 3.32Å; L382-F386 PolarHBondContact O-N 3.44Å; L382-F386 VanDerWaalsContact O-N 3.11Å; C383-F386 PolarHBondContact O-N 2.92Å; K384-F386 VanDerWaalsContact C-N 3.35Å; K384-F386 PolarHBondContact O-N 3.23Å; F386-C389 PolarHBondContact O-N 3.32Å; F386-G390 PolarHBondContact O-N 3.31Å |
| 387 | D | 87.6 | Confident | 89.2 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.1 | 177 | 75.6 | 0 | 0 | 0 | 111.9 | C383 K384 G390 R391 | C383-D387 PolarHBondContact O-N 3.41Å; K384-D387 PolarHBondContact O-N 2.95Å; D387-G390 PolarHBondContact O-N 3.1Å; D387-R391 VanDerWaalsContact CG-NE 3.29Å; D387-R391 WeakPolarHBondContact O-CG 3.3Å; D387-R391 PolarHBondContact O-N 3.03Å; D387-R391 VanDerWaalsContact O-N 3.09Å; D387-R391 IonicContact OD1-CZ 2.6Å; D387-R391 IonicContact OD1-NE 3.57Å; D387-R391 PolarHBondContact OD1-NE 3.41Å; D387-R391 IonicContact OD1-NH2 3.84Å; D387-R391 PolarHBondContact OD1-NH2 2.75Å; D387-R391 IonicContact OD2-CZ 2.68Å; D387-R391 VanDerWaalsContact OD2-CZ 3.29Å; D387-R391 IonicContact OD2-NE 2.67Å; D387-R391 PolarHBondContact OD2-NE 2.73Å; D387-R391 IonicContact OD2-NH2 2.64Å; D387-R391 PolarHBondContact OD2-NH2 2.82Å; D387-R391 VanDerWaalsContact OD2-NH2 3.1Å |
| 388 | V | 90.8 | Very high | 89 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 19% | 0.194 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.9 | 167.6 | 0 | 0 | 0 | 0 | 112 | L347 L351 K384 S385 G390 R391 L392 | L347-V388 HydrophobicContact CD1-CG1 3.98Å; L351-V388 HydrophobicContact CD2-CG1 4.46Å; L351-V388 HydrophobicContact CD2-CG2 3.86Å; K384-V388 WeakPolarHBondContact O-CB 3.39Å; K384-V388 WeakPolarHBondContact O-CG2 3.42Å; K384-V388 PolarHBondContact O-N 3.08Å; S385-V388 PolarHBondContact O-N 3.01Å; V388-G390 VanDerWaalsContact C-N 3.29Å; V388-G390 PolarHBondContact O-N 3.47Å; V388-R391 PolarHBondContact O-N 3.29Å; V388-L392 WeakPolarHBondContact O-CB 3Å; V388-L392 PolarHBondContact O-N 2.75Å |
| 389 | C | 91.1 | Very high | 88.9 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 51% | 0.507 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 176.1 | -76.1 | 0 | 0 | 0 | 0 | 112.7 | S385 F386 S393 | S385-C389 WeakPolarHBondContact O-CB 3.42Å; S385-C389 PolarHBondContact O-N 3.04Å; S385-C389 PolarHBondContact O-SG 3.46Å; F386-C389 PolarHBondContact O-N 3.32Å; C389-S393 WeakPolarHBondContact O-CB 3.22Å; C389-S393 PolarHBondContact O-N 2.87Å; C389-S393 PolarHBondContact O-OG 3.02Å |
| 390 | G | 88 | Confident | 88.7 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 46% | 0.464 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F386 D387 V388 S393 A394 | F386-G390 PolarHBondContact O-N 3.31Å; D387-G390 PolarHBondContact O-N 3.1Å; V388-G390 VanDerWaalsContact C-N 3.29Å; V388-G390 PolarHBondContact O-N 3.47Å; G390-S393 WeakPolarHBondContact O-CB 3.5Å; G390-S393 PolarHBondContact O-N 3.43Å; G390-A394 PolarHBondContact O-N 2.83Å; G390-A394 VanDerWaalsContact O-N 3.12Å |
| 391 | R | 89.8 | Confident | 88.1 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 177.9 | -65 | 169.4 | -163.6 | -100.9 | -8.4 | 112.4 | Q346 L347 D387 V388 S393 A394 I395 Q482 | Q346-R391 WeakPolarHBondContact O-CD 3.43Å; Q346-R391 PolarHBondContact O-NH1 2.64Å; L347-R391 HydrophobicContact CB-CB 4.44Å; L347-R391 HydrophobicContact CD1-CB 4.32Å; D387-R391 VanDerWaalsContact CG-NE 3.29Å; D387-R391 WeakPolarHBondContact O-CG 3.3Å; D387-R391 PolarHBondContact O-N 3.03Å; D387-R391 VanDerWaalsContact O-N 3.09Å; D387-R391 IonicContact OD1-CZ 2.6Å; D387-R391 IonicContact OD1-NE 3.57Å; D387-R391 PolarHBondContact OD1-NE 3.41Å; D387-R391 IonicContact OD1-NH2 3.84Å; D387-R391 PolarHBondContact OD1-NH2 2.75Å; D387-R391 IonicContact OD2-CZ 2.68Å; D387-R391 VanDerWaalsContact OD2-CZ 3.29Å; D387-R391 IonicContact OD2-NE 2.67Å; D387-R391 PolarHBondContact OD2-NE 2.73Å; D387-R391 IonicContact OD2-NH2 2.64Å; D387-R391 PolarHBondContact OD2-NH2 2.82Å; D387-R391 VanDerWaalsContact OD2-NH2 3.1Å; V388-R391 PolarHBondContact O-N 3.29Å; R391-S393 VanDerWaalsContact C-N 3.25Å; R391-S393 PolarHBondContact O-N 2.86Å; R391-A394 WeakPolarHBondContact O-CA 3.13Å; R391-A394 WeakPolarHBondContact O-CB 3.22Å; R391-A394 PolarHBondContact O-N 3.44Å; R391-I395 PolarHBondContact O-N 3.46Å; R391-Q482 VanDerWaalsContact NH1-CD 3.31Å |
| 392 | L | 90.8 | Very high | 87.7 | Confident | 98 Ų | 98 | 62.1 Ų | 62.1 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -36.6 | 175.8 | -173.6 | 62.1 | 0 | 0 | 0 | 111.7 | V388 A394 I395 R396 | V388-L392 WeakPolarHBondContact O-CB 3Å; V388-L392 PolarHBondContact O-N 2.75Å; L392-A394 VanDerWaalsContact C-N 3.32Å; L392-A394 PolarHBondContact O-N 3.25Å; L392-I395 PolarHBondContact O-N 2.92Å; L392-R396 WeakPolarHBondContact O-CB 3.43Å; L392-R396 PolarHBondContact O-N 3.46Å |
| 393 | S | 88.4 | Confident | 87.2 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.9 | -32.6 | 172.9 | -63.3 | 0 | 0 | 0 | 0 | 113.1 | C389 G390 R391 K397 | C389-S393 WeakPolarHBondContact O-CB 3.22Å; C389-S393 PolarHBondContact O-N 2.87Å; C389-S393 PolarHBondContact O-OG 3.02Å; G390-S393 WeakPolarHBondContact O-CB 3.5Å; G390-S393 PolarHBondContact O-N 3.43Å; R391-S393 VanDerWaalsContact C-N 3.25Å; R391-S393 PolarHBondContact O-N 2.86Å; S393-K397 WeakPolarHBondContact O-CG 3.29Å; S393-K397 PolarHBondContact O-N 3.41Å |
| 394 | A | 87.3 | Confident | 86.4 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 24% | 0.24 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.6 | -44 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | E343 G390 R391 L392 R396 K397 A398 | E343-A394 WeakPolarHBondContact OE2-CB 3.47Å; G390-A394 PolarHBondContact O-N 2.83Å; G390-A394 VanDerWaalsContact O-N 3.12Å; R391-A394 WeakPolarHBondContact O-CA 3.13Å; R391-A394 WeakPolarHBondContact O-CB 3.22Å; R391-A394 PolarHBondContact O-N 3.44Å; L392-A394 VanDerWaalsContact C-N 3.32Å; L392-A394 PolarHBondContact O-N 3.25Å; A394-R396 VanDerWaalsContact C-N 3.32Å; A394-R396 PolarHBondContact O-N 3.01Å; A394-K397 WeakPolarHBondContact O-CB 3.27Å; A394-K397 PolarHBondContact O-N 3.34Å; A394-K397 VanDerWaalsContact O-N 3.1Å; A394-A398 PolarHBondContact O-N 2.9Å |
| 395 | I | 90 | Very high | 85 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 7% | 0.067 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 171.4 | -67.6 | 161.4 | 0 | 0 | 0 | 110.7 | L340 E343 L344 L347 R391 L392 K397 A398 L399 | L340-I395 HydrophobicContact CD1-CG2 4.28Å; E343-I395 HydrophobicContact CB-CG1 3.77Å; L344-I395 HydrophobicContact CD2-CD1 4.11Å; L344-I395 HydrophobicContact CD2-CG1 4.42Å; L344-I395 HydrophobicContact CD2-CG2 3.98Å; L347-I395 HydrophobicContact CB-CD1 3.57Å; L347-I395 HydrophobicContact CD2-CD1 3.47Å; L347-I395 VanDerWaalsContact CD2-CD1 3.47Å; L347-I395 HydrophobicContact CG-CD1 4.13Å; R391-I395 PolarHBondContact O-N 3.46Å; L392-I395 PolarHBondContact O-N 2.92Å; I395-K397 VanDerWaalsContact C-N 3.3Å; I395-K397 PolarHBondContact O-N 3.44Å; I395-A398 WeakPolarHBondContact O-CB 3.01Å; I395-A398 PolarHBondContact O-N 3.48Å; I395-A398 VanDerWaalsContact O-N 3.13Å; I395-L399 WeakPolarHBondContact O-CB 3.37Å; I395-L399 PolarHBondContact O-N 3.22Å |
| 396 | R | 88.5 | Confident | 83.6 | Confident | 176 Ų | 176 | 67.2 Ų | 67.2 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -57.6 | -42.9 | 176.4 | -171.3 | 179.2 | 68.9 | 133.3 | -1.7 | 111.7 | L392 A394 L399 V400 | L392-R396 WeakPolarHBondContact O-CB 3.43Å; L392-R396 PolarHBondContact O-N 3.46Å; A394-R396 VanDerWaalsContact C-N 3.32Å; A394-R396 PolarHBondContact O-N 3.01Å; R396-L399 PolarHBondContact O-N 3.26Å; R396-V400 VanDerWaalsContact O-CG2 3.32Å; R396-V400 WeakPolarHBondContact O-CG2 2.93Å; R396-V400 PolarHBondContact O-N 3.29Å |
| 397 | K | 84.8 | Confident | 82.1 | Confident | 120 Ų | 120 | 63 Ų | 63 | 52% | 0.522 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 174.8 | -69.9 | 170.4 | -176.9 | -178.7 | 0 | 111.7 | S393 A394 I395 L399 V400 M401 | S393-K397 WeakPolarHBondContact O-CG 3.29Å; S393-K397 PolarHBondContact O-N 3.41Å; A394-K397 WeakPolarHBondContact O-CB 3.27Å; A394-K397 PolarHBondContact O-N 3.34Å; A394-K397 VanDerWaalsContact O-N 3.1Å; I395-K397 VanDerWaalsContact C-N 3.3Å; I395-K397 PolarHBondContact O-N 3.44Å; K397-L399 VanDerWaalsContact C-N 3.34Å; K397-L399 PolarHBondContact O-N 3.09Å; K397-V400 PolarHBondContact O-N 2.87Å; K397-M401 VanDerWaalsContact O-CB 3.32Å; K397-M401 WeakPolarHBondContact O-CB 3.35Å; K397-M401 WeakPolarHBondContact O-CG 3.46Å; K397-M401 PolarHBondContact O-N 3.1Å |
| 398 | A | 85.5 | Confident | 80.9 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L339 L340 E343 A394 I395 M401 L402 | L339-A398 HydrophobicContact CD1-CB 4.41Å; L339-A398 HydrophobicContact CD2-CB 4.25Å; L339-A398 HydrophobicContact CG-CB 3.94Å; L340-A398 HydrophobicContact CD1-CB 4.25Å; E343-A398 HydrophobicContact CG-CB 4.25Å; A394-A398 PolarHBondContact O-N 2.9Å; I395-A398 WeakPolarHBondContact O-CB 3.01Å; I395-A398 PolarHBondContact O-N 3.48Å; I395-A398 VanDerWaalsContact O-N 3.13Å; A398-M401 CarbonylContact O-C 3.47Å; A398-M401 PolarHBondContact O-N 2.81Å; A398-L402 PolarHBondContact O-N 2.54Å |
| 399 | L | 87.1 | Confident | 79.8 | Confident | 89 Ų | 89 | 62 Ų | 62 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71.5 | -43.1 | 179.1 | -161.6 | 154.9 | 0 | 0 | 0 | 111.6 | L340 I395 R396 K397 M401 L402 C403 | L340-L399 HydrophobicContact CD1-CB 4.41Å; I395-L399 WeakPolarHBondContact O-CB 3.37Å; I395-L399 PolarHBondContact O-N 3.22Å; R396-L399 PolarHBondContact O-N 3.26Å; K397-L399 VanDerWaalsContact C-N 3.34Å; K397-L399 PolarHBondContact O-N 3.09Å; L399-M401 VanDerWaalsContact C-N 3.31Å; L399-M401 PolarHBondContact O-N 3.12Å; L399-L402 VanDerWaalsContact O-CB 3.31Å; L399-L402 WeakPolarHBondContact O-CB 3.23Å; L399-L402 PolarHBondContact O-N 2.74Å; L399-L402 VanDerWaalsContact O-N 3.11Å; L399-C403 PolarHBondContact O-N 3.33Å; L399-C403 VanDerWaalsContact O-N 3.12Å; L399-C403 PolarHBondContact O-SG 3.05Å; L399-C403 VanDerWaalsContact O-SG 3.41Å |
| 400 | V | 84.6 | Confident | 79.2 | Confident | 82 Ų | 82 | 63.7 Ų | 63.7 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 169.7 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | R396 K397 L402 C403 S404 | R396-V400 VanDerWaalsContact O-CG2 3.32Å; R396-V400 WeakPolarHBondContact O-CG2 2.93Å; R396-V400 PolarHBondContact O-N 3.29Å; K397-V400 PolarHBondContact O-N 2.87Å; V400-L402 VanDerWaalsContact C-N 3.27Å; V400-L402 PolarHBondContact O-N 3.33Å; V400-C403 PolarHBondContact O-N 2.98Å; V400-S404 PolarHBondContact O-N 3.05Å; V400-S404 PolarHBondContact O-OG 2.67Å |
| 401 | M | 78.2 | Confident | 78.9 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.2 | -26.7 | 176.9 | -71.9 | -91.7 | -78 | 0 | 0 | 113.5 | K336 K397 A398 L399 Q406 L469 | K336-M401 WeakPolarHBondContact CD-O 3.21Å; K336-M401 WeakPolarHBondContact CE-O 3.29Å; K336-M401 PolarHBondContact NZ-O 3.06Å; K397-M401 VanDerWaalsContact O-CB 3.32Å; K397-M401 WeakPolarHBondContact O-CB 3.35Å; K397-M401 WeakPolarHBondContact O-CG 3.46Å; K397-M401 PolarHBondContact O-N 3.1Å; A398-M401 CarbonylContact O-C 3.47Å; A398-M401 PolarHBondContact O-N 2.81Å; L399-M401 VanDerWaalsContact C-N 3.31Å; L399-M401 PolarHBondContact O-N 3.12Å; M401-Q406 PolarHBondContact SD-NE2 2.92Å; M401-Q406 VanDerWaalsContact SD-NE2 3.45Å; M401-L469 HydrophobicContact CE-CD2 3.63Å; M401-L469 HydrophobicContact CE-CG 4.07Å; M401-L469 HydrophobicContact CG-CD2 4.43Å; M401-L469 HydrophobicContact SD-CD2 3.75Å |
| 402 | L | 82 | Confident | 78.6 | Confident | 37 Ų | 37 | 69 Ų | 69 | 19% | 0.194 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.4 | -50.9 | 171.3 | -171.7 | 63.5 | 0 | 0 | 0 | 110.2 | K336 F337 L340 A398 L399 V400 | K336-L402 HydrophobicContact CB-CD1 3.59Å; K336-L402 HydrophobicContact CD-CD1 4.12Å; K336-L402 PolarHBondContact NZ-O 2.97Å; F337-L402 HydrophobicContact CD1-CD1 4.22Å; F337-L402 HydrophobicContact CD1-CD2 4.25Å; F337-L402 HydrophobicContact CD2-CD1 3.94Å; F337-L402 HydrophobicContact CE1-CD1 4.06Å; F337-L402 HydrophobicContact CE1-CD2 3.79Å; F337-L402 HydrophobicContact CE2-CD1 3.78Å; F337-L402 HydrophobicContact CG-CD1 4.16Å; F337-L402 HydrophobicContact CZ-CD1 3.84Å; F337-L402 HydrophobicContact CZ-CD2 4.11Å; F337-L402 HydrophobicContact CZ-CG 4.43Å; L340-L402 HydrophobicContact CD2-CD2 3.68Å; A398-L402 PolarHBondContact O-N 2.54Å; L399-L402 VanDerWaalsContact O-CB 3.31Å; L399-L402 WeakPolarHBondContact O-CB 3.23Å; L399-L402 PolarHBondContact O-N 2.74Å; L399-L402 VanDerWaalsContact O-N 3.11Å; V400-L402 VanDerWaalsContact C-N 3.27Å; V400-L402 PolarHBondContact O-N 3.33Å |
| 403 | C | 79.6 | Confident | 78.3 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 70% | 0.696 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69.4 | -38.1 | -178.8 | -61.6 | 0 | 0 | 0 | 0 | 114.1 | L399 V400 | L399-C403 PolarHBondContact O-N 3.33Å; L399-C403 VanDerWaalsContact O-N 3.12Å; L399-C403 PolarHBondContact O-SG 3.05Å; L399-C403 VanDerWaalsContact O-SG 3.41Å; V400-C403 PolarHBondContact O-N 2.98Å |
| 404 | S | 72.2 | Confident | 78 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 43% | 0.434 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -76.1 | 136.3 | 179.9 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | K336 V400 Q406 | K336-S404 PolarHBondContact NZ-O 2.03Å; V400-S404 PolarHBondContact O-N 3.05Å; V400-S404 PolarHBondContact O-OG 2.67Å; S404-Q406 PolarHBondContact O-N 3.28Å |
| 405 | S | 60.9 | Low | 77.9 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 78% | 0.783 | 41% | 0.411 | S | S | * | . | trans | -62.5 | 117.3 | 162.3 | 41.8 | 0 | 0 | 0 | 0 | 108.9 | S407 | S405-S407 PolarHBondContact O-N 2.72Å; S405-S407 VanDerWaalsContact O-N 3.13Å | ||
| 406 | Q | 60.4 | Low | 77.5 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 17% | 0.168 | 42% | 0.42 | C | S | . | . | trans | -82.5 | 94.4 | 179.8 | -178.5 | 116 | 75.3 | 0 | 0 | 108.7 | M401 S404 Y408 | M401-Q406 PolarHBondContact SD-NE2 2.92Å; M401-Q406 VanDerWaalsContact SD-NE2 3.45Å; S404-Q406 PolarHBondContact O-N 3.28Å; Q406-Y408 HydrophobicContact CB-CE2 4.46Å; Q406-Y408 HydrophobicContact CG-CD2 4.24Å; Q406-Y408 HydrophobicContact CG-CE2 3.96Å; Q406-Y408 VanDerWaalsContact O-CD2 3.27Å; Q406-Y408 WeakPolarHBondContact O-CD2 3.16Å; Q406-Y408 WeakPolarHBondContact O-CE2 3.12Å | ||
| 407 | S | 57.1 | Low | 77.2 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 49% | 0.49 | 39% | 0.391 | S | S | . | . | trans | -75.9 | 141 | 160.8 | 70.8 | 0 | 0 | 0 | 0 | 109.1 | S405 G409 | S405-S407 PolarHBondContact O-N 2.72Å; S405-S407 VanDerWaalsContact O-N 3.13Å; S407-G409 WeakPolarHBondContact CB-O 3.43Å; S407-G409 PolarHBondContact O-N 2.87Å; S407-G409 PolarHBondContact OG-O 2.93Å | ||
| 408 | Y | 61.7 | Low | 77.2 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 10% | 0.102 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -93.8 | 15.4 | -176.5 | -69.9 | -122.1 | 0 | 0 | 0 | 111.3 | Q406 L437 C449 F452 | Q406-Y408 HydrophobicContact CB-CE2 4.46Å; Q406-Y408 HydrophobicContact CG-CD2 4.24Å; Q406-Y408 HydrophobicContact CG-CE2 3.96Å; Q406-Y408 VanDerWaalsContact O-CD2 3.27Å; Q406-Y408 WeakPolarHBondContact O-CD2 3.16Å; Q406-Y408 WeakPolarHBondContact O-CE2 3.12Å; Y408-L437 VanDerWaalsContact O-CD2 3.28Å; Y408-L437 WeakPolarHBondContact O-CD2 3.44Å; Y408-C449 VanDerWaalsContact CE2-SG 3.57Å; Y408-C449 PolarHBondContact OH-SG 3.42Å; Y408-F452 AromaticContact CD1-CD2 3.31Å; Y408-F452 HydrophobicContact CD1-CD2 3.31Å; Y408-F452 AromaticContact CD1-CE2 3.68Å; Y408-F452 HydrophobicContact CD1-CE2 3.68Å; Y408-F452 HydrophobicContact CD1-CG 4.31Å; Y408-F452 HydrophobicContact CE1-CB 4.33Å; Y408-F452 AromaticContact CE1-CD2 3.74Å; Y408-F452 HydrophobicContact CE1-CD2 3.74Å; Y408-F452 HydrophobicContact CE1-CG 4.47Å; Y408-F452 HydrophobicContact CG-CD2 4.44Å; Y408-F452 HydrophobicContact CG-CE2 4.47Å |
| 409 | G | 68.1 | Low | 77.1 | Confident | 19 Ų | 19 | 74 Ų | 74 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | S | Bend | trans | 154.2 | -161.5 | -154.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | S407 A436 | S407-G409 WeakPolarHBondContact CB-O 3.43Å; S407-G409 PolarHBondContact O-N 2.87Å; S407-G409 PolarHBondContact OG-O 2.93Å; G409-A436 CarbonylContact C-O 3.48Å; G409-A436 VanDerWaalsContact CA-O 3.23Å; G409-A436 WeakPolarHBondContact CA-O 3.18Å |
| 410 | V | 77.9 | Confident | 76.7 | Confident | 110 Ų | 110 | 72 Ų | 72 | 67% | 0.667 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 151.3 | 174.5 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | A412 I435 A436 | V410-A412 PolarHBondContact O-N 2.96Å; V410-I435 CarbonylContact O-C 3.48Å; V410-I435 WeakPolarHBondContact O-CA 3.2Å; V410-A436 PolarHBondContact N-O 3.06Å; V410-A436 PolarHBondContact O-N 3.49Å |
| 411 | R | 82.2 | Confident | 76.7 | Confident | 167 Ų | 167 | 70.6 Ų | 70.6 | 63% | 0.63 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 127.5 | 168.8 | -101.9 | -170.7 | 169.8 | 160.4 | -3.6 | 108.6 | D433 P434 I435 | R411-D433 IonicContact CZ-OD1 2.73Å; R411-D433 IonicContact NE-OD1 3.25Å; R411-D433 IonicContact NH2-OD1 2.69Å; R411-D433 PolarHBondContact NH2-OD1 2.93Å; R411-P434 WeakPolarHBondContact CA-O 3.26Å; R411-I435 HydrophobicContact CG-CD1 3.92Å |
| 412 | A | 83.1 | Confident | 77.1 | Confident | 15 Ų | 15 | 73 Ų | 73 | 12% | 0.124 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 144.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V410 L416 P434 A436 V442 | V410-A412 PolarHBondContact O-N 2.96Å; A412-L416 HydrophobicContact CB-CB 4.21Å; A412-P434 HydrophobicContact CB-CB 4Å; A412-P434 HydrophobicContact CB-CG 4.44Å; A412-P434 PolarHBondContact N-O 3.32Å; A412-A436 HydrophobicContact CB-CB 4.05Å; A412-V442 HydrophobicContact CB-CG1 3.64Å; A412-V442 HydrophobicContact CB-CG2 3.97Å |
| 413 | S | 85 | Confident | 77.5 | Confident | 47 Ų | 47 | 74.5 Ų | 74.5 | 33% | 0.329 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 159.1 | 166.2 | 63.7 | 0 | 0 | 0 | 0 | 109.9 | Q415 L416 C417 | S413-Q415 PolarHBondContact O-N 3.43Å; S413-L416 PolarHBondContact O-N 2.99Å; S413-L416 PolarHBondContact OG-N 3.45Å; S413-C417 PolarHBondContact O-N 3.25Å; S413-C417 PolarHBondContact O-SG 2.7Å |
| 414 | T | 82.4 | Confident | 78.2 | Confident | 124 Ų | 124 | 69.6 Ų | 69.6 | 76% | 0.761 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.8 | -27.8 | 171 | 24.1 | 0 | 0 | 0 | 0 | 112.6 | C417 S418 | T414-C417 PolarHBondContact O-N 3.28Å; T414-S418 PolarHBondContact O-N 2.73Å; T414-S418 VanDerWaalsContact O-N 3.09Å |
| 415 | Q | 83.9 | Confident | 79.1 | Confident | 147 Ų | 147 | 69.1 Ų | 69.1 | 69% | 0.687 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.3 | -49.8 | 173.1 | -69.6 | 171 | -37.4 | 0 | 0 | 111.7 | S413 C417 S418 E419 | S413-Q415 PolarHBondContact O-N 3.43Å; Q415-C417 VanDerWaalsContact C-N 3.25Å; Q415-C417 PolarHBondContact O-N 3.06Å; Q415-S418 PolarHBondContact O-N 2.69Å; Q415-S418 VanDerWaalsContact O-N 3.11Å; Q415-E419 WeakPolarHBondContact O-CG 3.37Å; Q415-E419 PolarHBondContact O-N 3.38Å |
| 416 | L | 82.4 | Confident | 80.5 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.7 | -30.5 | 175.4 | -85.2 | 160.7 | 0 | 0 | 0 | 112.9 | A412 S413 A420 V442 | A412-L416 HydrophobicContact CB-CB 4.21Å; S413-L416 PolarHBondContact O-N 2.99Å; S413-L416 PolarHBondContact OG-N 3.45Å; L416-A420 WeakPolarHBondContact O-CB 3.24Å; L416-A420 PolarHBondContact O-N 2.81Å; L416-A420 VanDerWaalsContact O-N 3.12Å; L416-V442 HydrophobicContact CB-CG2 4.2Å |
| 417 | C | 83.1 | Confident | 82 | Confident | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.054 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 173.1 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | S413 T414 Q415 A420 G421 D422 F431 | S413-C417 PolarHBondContact O-N 3.25Å; S413-C417 PolarHBondContact O-SG 2.7Å; T414-C417 PolarHBondContact O-N 3.28Å; Q415-C417 VanDerWaalsContact C-N 3.25Å; Q415-C417 PolarHBondContact O-N 3.06Å; C417-A420 CarbonylContact O-C 3.59Å; C417-A420 WeakPolarHBondContact O-CA 3.21Å; C417-A420 WeakPolarHBondContact O-CB 3.33Å; C417-A420 PolarHBondContact O-N 3.38Å; C417-A420 VanDerWaalsContact O-N 3.17Å; C417-G421 PolarHBondContact O-N 3.16Å; C417-D422 VanDerWaalsContact C-OD1 3.27Å; C417-D422 WeakPolarHBondContact O-CA 3.45Å; C417-D422 PolarHBondContact O-N 3.47Å; C417-F431 HydrophobicContact CB-CD2 3.81Å; C417-F431 HydrophobicContact CB-CE2 4.03Å |
| 418 | S | 83.3 | Confident | 83.6 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 49% | 0.49 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.3 | -36.9 | -179.8 | -150.1 | 0 | 0 | 0 | 0 | 113 | T414 Q415 A420 G421 D422 | T414-S418 PolarHBondContact O-N 2.73Å; T414-S418 VanDerWaalsContact O-N 3.09Å; Q415-S418 PolarHBondContact O-N 2.69Å; Q415-S418 VanDerWaalsContact O-N 3.11Å; S418-A420 PolarHBondContact O-N 3.2Å; S418-G421 PolarHBondContact O-N 2.74Å; S418-D422 WeakPolarHBondContact CA-OD1 3.45Å; S418-D422 VanDerWaalsContact CA-OD2 3.32Å; S418-D422 WeakPolarHBondContact CA-OD2 3.32Å; S418-D422 WeakPolarHBondContact CB-OD2 3.46Å; S418-D422 PolarHBondContact N-OD1 3.17Å; S418-D422 PolarHBondContact OG-OD2 2.83Å |
| 419 | E | 84.6 | Confident | 85 | Confident | 157 Ų | 157 | 72.5 Ų | 72.5 | 73% | 0.734 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.2 | -31.7 | 169.2 | -72.1 | 171.1 | -173.6 | 0 | 0 | 112.6 | Q415 G421 | Q415-E419 WeakPolarHBondContact O-CG 3.37Å; Q415-E419 PolarHBondContact O-N 3.38Å; E419-G421 VanDerWaalsContact C-N 3.27Å; E419-G421 PolarHBondContact O-N 3.36Å |
| 420 | A | 79.1 | Confident | 86.1 | Confident | 48 Ų | 48 | 77.8 Ų | 77.8 | 40% | 0.397 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | L416 C417 S418 F431 V442 | L416-A420 WeakPolarHBondContact O-CB 3.24Å; L416-A420 PolarHBondContact O-N 2.81Å; L416-A420 VanDerWaalsContact O-N 3.12Å; C417-A420 CarbonylContact O-C 3.59Å; C417-A420 WeakPolarHBondContact O-CA 3.21Å; C417-A420 WeakPolarHBondContact O-CB 3.33Å; C417-A420 PolarHBondContact O-N 3.38Å; C417-A420 VanDerWaalsContact O-N 3.17Å; S418-A420 PolarHBondContact O-N 3.2Å; A420-F431 HydrophobicContact CB-CE2 4.4Å; A420-F431 HydrophobicContact CB-CZ 4.17Å; A420-V442 HydrophobicContact CB-CB 4.17Å; A420-V442 HydrophobicContact CB-CG2 4.35Å |
| 421 | G | 83.7 | Confident | 86.6 | Confident | 51 Ų | 51 | 74.2 Ų | 74.2 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 20.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C417 S418 E419 V423 | C417-G421 PolarHBondContact O-N 3.16Å; S418-G421 PolarHBondContact O-N 2.74Å; E419-G421 VanDerWaalsContact C-N 3.27Å; E419-G421 PolarHBondContact O-N 3.36Å; G421-V423 PolarHBondContact O-N 3.22Å |
| 422 | D | 86.7 | Confident | 86.8 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 40% | 0.401 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 56.9 | 0 | 176.6 | -72.3 | -53.3 | 0 | 0 | 0 | 117.1 | C417 S418 F431 | C417-D422 VanDerWaalsContact C-OD1 3.27Å; C417-D422 WeakPolarHBondContact O-CA 3.45Å; C417-D422 PolarHBondContact O-N 3.47Å; S418-D422 WeakPolarHBondContact CA-OD1 3.45Å; S418-D422 VanDerWaalsContact CA-OD2 3.32Å; S418-D422 WeakPolarHBondContact CA-OD2 3.32Å; S418-D422 WeakPolarHBondContact CB-OD2 3.46Å; S418-D422 PolarHBondContact N-OD1 3.17Å; S418-D422 PolarHBondContact OG-OD2 2.83Å; D422-F431 VanDerWaalsContact O-CD2 3.3Å; D422-F431 WeakPolarHBondContact O-CD2 3.4Å |
| 423 | V | 90.6 | Very high | 86.9 | Confident | 69 Ų | 69 | 77.1 Ų | 77.1 | 42% | 0.418 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -117.8 | 133.1 | -178.4 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | G421 A425 Q428 F431 | G421-V423 PolarHBondContact O-N 3.22Å; V423-A425 PolarHBondContact O-N 3.34Å; V423-Q428 VanDerWaalsContact CG1-C 3.46Å; V423-F431 WeakPolarHBondContact O-CZ 3.13Å |
| 424 | C | 93.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 43% | 0.433 | C | S | . | . | trans | -75 | 122 | 177.1 | 179 | 0 | 0 | 0 | 0 | 112 | I426 C427 Q428 G429 F431 C444 | C424-I426 PolarHBondContact O-N 3.49Å; C424-C427 PolarHBondContact O-N 3.35Å; C424-Q428 VanDerWaalsContact O-CA 3.27Å; C424-Q428 WeakPolarHBondContact O-CA 3.48Å; C424-Q428 PolarHBondContact O-N 2.83Å; C424-G429 PolarHBondContact N-O 3.25Å; C424-F431 HydrophobicContact CB-CD1 3.79Å; C424-F431 HydrophobicContact CB-CE1 3.66Å; C424-C444 WeakPolarHBondContact CB-SG 3.16Å; C424-C444 PolarHBondContact SG-N 2.95Å; C424-C444 VanDerWaalsContact SG-N 3.36Å | ||
| 425 | A | 91.1 | Very high | 87.3 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 44% | 0.438 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -10 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116 | V423 F443 L460 | V423-A425 PolarHBondContact O-N 3.34Å; A425-F443 HydrophobicContact CB-CE1 4.13Å; A425-L460 HydrophobicContact CB-CD1 4.12Å; A425-L460 HydrophobicContact CB-CD2 4.12Å; A425-L460 HydrophobicContact CB-CG 4.39Å |
| 426 | I | 90.8 | Very high | 87.4 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 29% | 0.292 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -55.3 | 176.1 | -62.4 | 165 | 0 | 0 | 0 | 111.5 | C424 F443 C447 W451 P459 | C424-I426 PolarHBondContact O-N 3.49Å; I426-F443 HydrophobicContact CD1-CB 4.34Å; I426-F443 HydrophobicContact CD1-CD1 3.56Å; I426-F443 HydrophobicContact CD1-CE1 4.1Å; I426-F443 HydrophobicContact CD1-CG 4.14Å; I426-F443 HydrophobicContact CG1-CD1 3.73Å; I426-F443 HydrophobicContact CG1-CE1 4.03Å; I426-C447 HydrophobicContact CB-CB 3.78Å; I426-C447 HydrophobicContact CD1-CB 3.63Å; I426-C447 HydrophobicContact CG1-CB 4.32Å; I426-C447 HydrophobicContact CG2-CB 3.76Å; I426-W451 HydrophobicContact CD1-CB 4.46Å; I426-P459 HydrophobicContact CD1-CB 4.48Å; I426-P459 HydrophobicContact CD1-CG 3.84Å; I426-P459 HydrophobicContact CG1-CB 4.39Å; I426-P459 HydrophobicContact CG1-CG 4.28Å |
| 427 | C | 91.4 | Very high | 87.5 | Confident | 68 Ų | 68 | 62 Ų | 62 | 46% | 0.459 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6.3 | -178 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | C424 G429 | C424-C427 PolarHBondContact O-N 3.35Å; C427-G429 PolarHBondContact O-N 3.29Å |
| 428 | Q | 91.6 | Very high | 87.4 | Confident | 163 Ų | 163 | 67.8 Ų | 67.8 | 76% | 0.762 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 55.8 | 30.7 | 179.1 | -55.8 | -177.2 | 3.2 | 0 | 0 | 114.2 | V423 C424 | V423-Q428 VanDerWaalsContact CG1-C 3.46Å; C424-Q428 VanDerWaalsContact O-CA 3.27Å; C424-Q428 WeakPolarHBondContact O-CA 3.48Å; C424-Q428 PolarHBondContact O-N 2.83Å |
| 429 | G | 91.8 | Very high | 87.5 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -139 | -180 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | C424 C427 | C424-G429 PolarHBondContact N-O 3.25Å; C427-G429 PolarHBondContact O-N 3.29Å |
| 430 | D | 91.1 | Very high | 87.6 | Confident | 129 Ų | 129 | 65.3 Ų | 65.3 | 69% | 0.69 | 37% | 0.372 | S | S | * | . | B | Isolated β-bridge | trans | -52.1 | 144.8 | -175.3 | -48.3 | -25 | 0 | 0 | 0 | 113.1 | K432 | D430-K432 PolarHBondContact O-N 3.47Å; D430-K432 VanDerWaalsContact O-N 3.16Å |
| 431 | F | 88.3 | Confident | 88.1 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 15% | 0.154 | 37% | 0.368 | C | S | . | . | trans | -62.9 | 115 | 179.7 | -73.4 | -63.2 | 0 | 0 | 0 | 113.4 | C417 A420 D422 V423 C424 P434 V442 | C417-F431 HydrophobicContact CB-CD2 3.81Å; C417-F431 HydrophobicContact CB-CE2 4.03Å; A420-F431 HydrophobicContact CB-CE2 4.4Å; A420-F431 HydrophobicContact CB-CZ 4.17Å; D422-F431 VanDerWaalsContact O-CD2 3.3Å; D422-F431 WeakPolarHBondContact O-CD2 3.4Å; V423-F431 WeakPolarHBondContact O-CZ 3.13Å; C424-F431 HydrophobicContact CB-CD1 3.79Å; C424-F431 HydrophobicContact CB-CE1 3.66Å; F431-P434 HydrophobicContact CB-CB 3.9Å; F431-P434 HydrophobicContact CB-CG 4.13Å; F431-P434 HydrophobicContact CD1-CB 4.1Å; F431-P434 HydrophobicContact CG-CB 4.05Å; F431-V442 HydrophobicContact CD1-CG1 4.14Å; F431-V442 HydrophobicContact CE1-CB 4.22Å; F431-V442 HydrophobicContact CE1-CG1 3.74Å; F431-V442 WeakPolarHBondContact CE1-O 3.43Å; F431-V442 HydrophobicContact CE2-CG1 4.41Å; F431-V442 HydrophobicContact CZ-CB 4.09Å; F431-V442 HydrophobicContact CZ-CG1 3.89Å | ||
| 432 | K | 85.8 | Confident | 88.4 | Confident | 165 Ų | 165 | 64 Ų | 64 | 72% | 0.717 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -102.2 | 115 | 167.4 | -64.2 | 179.5 | -175.4 | 176.1 | 0 | 109.1 | D430 C444 E445 | D430-K432 PolarHBondContact O-N 3.47Å; D430-K432 VanDerWaalsContact O-N 3.16Å; K432-C444 PolarHBondContact N-SG 2.79Å; K432-C444 VanDerWaalsContact O-CA 3.3Å; K432-C444 WeakPolarHBondContact O-CA 3.24Å; K432-C444 WeakPolarHBondContact O-CB 3.31Å; K432-E445 PolarHBondContact O-N 3.43Å |
| 433 | D | 85.1 | Confident | 88.6 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 48.9 | 67.7 | -173.5 | -72.2 | -55.5 | 0 | 0 | 0 | 112.7 | R411 I435 E445 | R411-D433 IonicContact CZ-OD1 2.73Å; R411-D433 IonicContact NE-OD1 3.25Å; R411-D433 IonicContact NH2-OD1 2.69Å; R411-D433 PolarHBondContact NH2-OD1 2.93Å; D433-I435 PolarHBondContact O-N 3.45Å; D433-E445 HydrophobicContact CB-CB 4.06Å; D433-E445 WeakPolarHBondContact O-CB 3.32Å; D433-E445 PolarHBondContact O-N 2.82Å |
| 434 | P | 89.3 | Confident | 88.6 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 131.8 | -175.1 | 24.8 | -32.3 | 0 | 0 | 0 | 112.6 | R411 A412 F431 V442 F443 | R411-P434 WeakPolarHBondContact CA-O 3.26Å; A412-P434 HydrophobicContact CB-CB 4Å; A412-P434 HydrophobicContact CB-CG 4.44Å; A412-P434 PolarHBondContact N-O 3.32Å; F431-P434 HydrophobicContact CB-CB 3.9Å; F431-P434 HydrophobicContact CB-CG 4.13Å; F431-P434 HydrophobicContact CD1-CB 4.1Å; F431-P434 HydrophobicContact CG-CB 4.05Å; P434-V442 HydrophobicContact CB-CG1 3.69Å; P434-F443 WeakPolarHBondContact CA-O 3.27Å |
| 435 | I | 86.4 | Confident | 88.1 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.5 | 173.7 | -55.3 | -64.2 | 0 | 0 | 0 | 108.5 | V410 R411 D433 V442 F443 E445 L448 | V410-I435 CarbonylContact O-C 3.48Å; V410-I435 WeakPolarHBondContact O-CA 3.2Å; R411-I435 HydrophobicContact CG-CD1 3.92Å; D433-I435 PolarHBondContact O-N 3.45Å; I435-V442 WeakPolarHBondContact O-CA 3.39Å; I435-F443 PolarHBondContact N-O 3.48Å; I435-F443 PolarHBondContact O-N 2.79Å; I435-F443 VanDerWaalsContact O-N 3.13Å; I435-E445 HydrophobicContact CD1-CB 4.48Å; I435-E445 HydrophobicContact CD1-CG 4.41Å; I435-E445 HydrophobicContact CG1-CB 3.78Å; I435-E445 HydrophobicContact CG1-CG 3.91Å; I435-L448 HydrophobicContact CB-CD1 3.88Å; I435-L448 HydrophobicContact CG2-CD1 4.16Å |
| 436 | A | 86.9 | Confident | 87.6 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 124 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | G409 V410 A412 V442 | G409-A436 CarbonylContact C-O 3.48Å; G409-A436 VanDerWaalsContact CA-O 3.23Å; G409-A436 WeakPolarHBondContact CA-O 3.18Å; V410-A436 PolarHBondContact N-O 3.06Å; V410-A436 PolarHBondContact O-N 3.49Å; A412-A436 HydrophobicContact CB-CB 4.05Å; A436-V442 HydrophobicContact CB-CG2 4.14Å |
| 437 | L | 84.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | trans | -74.3 | 168.9 | 173.5 | -61.5 | -176.3 | 0 | 0 | 0 | 111.4 | Y408 C439 Q440 H441 F443 L448 F452 C458 V465 | Y408-L437 VanDerWaalsContact O-CD2 3.28Å; Y408-L437 WeakPolarHBondContact O-CD2 3.44Å; L437-C439 VanDerWaalsContact CB-SG 3.59Å; L437-C439 PolarHBondContact O-N 3.49Å; L437-Q440 WeakPolarHBondContact O-CA 3.29Å; L437-Q440 PolarHBondContact O-N 3.48Å; L437-H441 PolarHBondContact N-O 2.9Å; L437-F443 HydrophobicContact CD1-CD2 4.17Å; L437-F443 HydrophobicContact CD1-CE2 3.83Å; L437-F443 HydrophobicContact CG-CD2 4.37Å; L437-F443 HydrophobicContact CG-CE2 4.42Å; L437-L448 HydrophobicContact CD1-CD2 3.99Å; L437-L448 HydrophobicContact CD2-CD1 3.81Å; L437-L448 HydrophobicContact CD2-CD2 4.1Å; L437-L448 HydrophobicContact CG-CD1 4.35Å; L437-L448 HydrophobicContact CG-CD2 4.32Å; L437-F452 HydrophobicContact CD1-CZ 4.09Å; L437-F452 HydrophobicContact CD2-CE2 4.06Å; L437-F452 HydrophobicContact CD2-CZ 3.94Å; L437-C458 HydrophobicContact CD1-CB 4.05Å; L437-V465 HydrophobicContact CD1-CG2 4.18Å; L437-V465 HydrophobicContact CD2-CG1 4.04Å | ||
| 438 | I | 79.9 | Confident | 86.9 | Confident | 130 Ų | 130 | 57.6 Ų | 57.6 | 67% | 0.667 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.4 | 173.3 | 59.5 | 173.4 | 0 | 0 | 0 | 113.2 | Q440 | I438-Q440 PolarHBondContact O-N 3.11Š|
| 439 | C | 85.3 | Confident | 86.2 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 19% | 0.189 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 20.4 | 172.3 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | L437 H441 C461 | L437-C439 VanDerWaalsContact CB-SG 3.59Å; L437-C439 PolarHBondContact O-N 3.49Å; C439-H441 PolarHBondContact O-N 3.27Å; C439-H441 PolarHBondContact O-ND1 2.84Å; C439-C461 VanDerWaalsContact CB-SG 3.59Å; C439-C461 VanDerWaalsContact SG-SG 3.61Å |
| 440 | Q | 86.3 | Confident | 85.4 | Confident | 147 Ų | 147 | 52.8 Ų | 52.8 | 69% | 0.687 | 27% | 0.266 | S | S | * | . | trans | 61.3 | -14.8 | 177.2 | -59.4 | -178 | 71.6 | 0 | 0 | 117.5 | L437 I438 V442 | L437-Q440 WeakPolarHBondContact O-CA 3.29Å; L437-Q440 PolarHBondContact O-N 3.48Å; I438-Q440 PolarHBondContact O-N 3.11Å; Q440-V442 PolarHBondContact O-N 3.21Å | ||
| 441 | H | 89.9 | Confident | 85 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 31% | 0.306 | 25% | 0.248 | S | C | . | . | trans | -57.5 | 132.3 | 172.6 | -66.7 | 101.4 | 0 | 0 | 0 | 112.9 | L437 C439 F443 L460 C461 | L437-H441 PolarHBondContact N-O 2.9Å; C439-H441 PolarHBondContact O-N 3.27Å; C439-H441 PolarHBondContact O-ND1 2.84Å; H441-F443 HydrophobicContact CB-CD2 4.42Å; H441-F443 HydrophobicContact CB-CE2 3.54Å; H441-F443 HydrophobicContact CB-CZ 4.03Å; H441-L460 HydrophobicContact CB-CD1 4.22Å; H441-L460 WeakPolarHBondContact CD2-CD1 3.09Å; H441-C461 PolarHBondContact ND1-SG 2.97Å; H441-C461 VanDerWaalsContact ND1-SG 3.44Å | ||
| 442 | V | 90.9 | Very high | 84.4 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 137.3 | -175.8 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | A412 L416 A420 F431 P434 I435 A436 Q440 | A412-V442 HydrophobicContact CB-CG1 3.64Å; A412-V442 HydrophobicContact CB-CG2 3.97Å; L416-V442 HydrophobicContact CB-CG2 4.2Å; A420-V442 HydrophobicContact CB-CB 4.17Å; A420-V442 HydrophobicContact CB-CG2 4.35Å; F431-V442 HydrophobicContact CD1-CG1 4.14Å; F431-V442 HydrophobicContact CE1-CB 4.22Å; F431-V442 HydrophobicContact CE1-CG1 3.74Å; F431-V442 WeakPolarHBondContact CE1-O 3.43Å; F431-V442 HydrophobicContact CE2-CG1 4.41Å; F431-V442 HydrophobicContact CZ-CB 4.09Å; F431-V442 HydrophobicContact CZ-CG1 3.89Å; P434-V442 HydrophobicContact CB-CG1 3.69Å; I435-V442 WeakPolarHBondContact O-CA 3.39Å; A436-V442 HydrophobicContact CB-CG2 4.14Å; Q440-V442 PolarHBondContact O-N 3.21Å |
| 443 | F | 91.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 158.8 | 178.6 | -55.6 | -91.9 | 0 | 0 | 0 | 110.8 | A425 I426 P434 I435 L437 H441 L448 P459 L460 | A425-F443 HydrophobicContact CB-CE1 4.13Å; I426-F443 HydrophobicContact CD1-CB 4.34Å; I426-F443 HydrophobicContact CD1-CD1 3.56Å; I426-F443 HydrophobicContact CD1-CE1 4.1Å; I426-F443 HydrophobicContact CD1-CG 4.14Å; I426-F443 HydrophobicContact CG1-CD1 3.73Å; I426-F443 HydrophobicContact CG1-CE1 4.03Å; P434-F443 WeakPolarHBondContact CA-O 3.27Å; I435-F443 PolarHBondContact N-O 3.48Å; I435-F443 PolarHBondContact O-N 2.79Å; I435-F443 VanDerWaalsContact O-N 3.13Å; L437-F443 HydrophobicContact CD1-CD2 4.17Å; L437-F443 HydrophobicContact CD1-CE2 3.83Å; L437-F443 HydrophobicContact CG-CD2 4.37Å; L437-F443 HydrophobicContact CG-CE2 4.42Å; H441-F443 HydrophobicContact CB-CD2 4.42Å; H441-F443 HydrophobicContact CB-CE2 3.54Å; H441-F443 HydrophobicContact CB-CZ 4.03Å; F443-L448 HydrophobicContact CB-CD1 3.79Å; F443-L448 HydrophobicContact CB-CD2 3.95Å; F443-L448 HydrophobicContact CB-CG 3.56Å; F443-L448 HydrophobicContact CD2-CD1 4.18Å; F443-L448 HydrophobicContact CD2-CD2 3.58Å; F443-L448 HydrophobicContact CD2-CG 4.1Å; F443-L448 HydrophobicContact CE2-CD2 4.18Å; F443-L448 HydrophobicContact CG-CD1 4.41Å; F443-L448 HydrophobicContact CG-CD2 3.86Å; F443-L448 HydrophobicContact CG-CG 4.07Å; F443-P459 HydrophobicContact CD1-CG 4.31Å; F443-P459 HydrophobicContact CE1-CB 3.82Å; F443-P459 HydrophobicContact CE1-CG 3.68Å; F443-P459 HydrophobicContact CE2-CG 4.13Å; F443-P459 HydrophobicContact CZ-CB 3.82Å; F443-P459 HydrophobicContact CZ-CG 3.56Å; F443-L460 HydrophobicContact CE1-CD1 3.91Å; F443-L460 HydrophobicContact CE1-CG 4.06Å; F443-L460 HydrophobicContact CZ-CB 4.31Å; F443-L460 HydrophobicContact CZ-CD1 3.62Å; F443-L460 HydrophobicContact CZ-CG 3.76Å |
| 444 | C | 88.9 | Confident | 82.7 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 137.9 | 167.7 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | C424 K432 E446 C447 L448 | C424-C444 WeakPolarHBondContact CB-SG 3.16Å; C424-C444 PolarHBondContact SG-N 2.95Å; C424-C444 VanDerWaalsContact SG-N 3.36Å; K432-C444 PolarHBondContact N-SG 2.79Å; K432-C444 VanDerWaalsContact O-CA 3.3Å; K432-C444 WeakPolarHBondContact O-CA 3.24Å; K432-C444 WeakPolarHBondContact O-CB 3.31Å; C444-E446 VanDerWaalsContact C-N 3.29Å; C444-E446 PolarHBondContact O-N 3.2Å; C444-C447 HydrophobicContact CB-CB 4.03Å; C444-C447 WeakPolarHBondContact O-CB 3.45Å; C444-C447 PolarHBondContact O-N 3.44Å; C444-L448 PolarHBondContact O-N 3.46Å |
| 445 | E | 83.2 | Confident | 82.2 | Confident | 28 Ų | 28 | 53.9 Ų | 53.9 | 13% | 0.131 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.9 | -41.8 | -177.5 | -171.9 | 177.3 | -146.3 | 0 | 0 | 112.8 | K332 K432 D433 I435 C447 L448 C449 | K332-E445 WeakPolarHBondContact CE-OE1 3.5Å; K332-E445 WeakPolarHBondContact CE-OE2 3.48Å; K332-E445 IonicContact NZ-OE1 3.4Å; K332-E445 PolarHBondContact NZ-OE1 2.83Å; K332-E445 IonicContact NZ-OE2 2.81Å; K332-E445 PolarHBondContact NZ-OE2 3.36Å; K432-E445 PolarHBondContact O-N 3.43Å; D433-E445 HydrophobicContact CB-CB 4.06Å; D433-E445 WeakPolarHBondContact O-CB 3.32Å; D433-E445 PolarHBondContact O-N 2.82Å; I435-E445 HydrophobicContact CD1-CB 4.48Å; I435-E445 HydrophobicContact CD1-CG 4.41Å; I435-E445 HydrophobicContact CG1-CB 3.78Å; I435-E445 HydrophobicContact CG1-CG 3.91Å; E445-C447 PolarHBondContact O-N 3.25Å; E445-L448 PolarHBondContact O-N 2.93Å; E445-C449 PolarHBondContact O-N 3.37Å; E445-C449 PolarHBondContact O-SG 3.41Å |
| 446 | E | 80.6 | Confident | 81.6 | Confident | 141 Ų | 141 | 59.3 Ų | 59.3 | 66% | 0.659 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.7 | -38.9 | 177.8 | -179.2 | 164.8 | -141.8 | 0 | 0 | 112.4 | C444 C449 L450 | C444-E446 VanDerWaalsContact C-N 3.29Å; C444-E446 PolarHBondContact O-N 3.2Å; E446-C449 WeakPolarHBondContact O-CB 3.34Å; E446-C449 PolarHBondContact O-N 3.22Å; E446-L450 HydrophobicContact CG-CD1 4.18Å; E446-L450 WeakPolarHBondContact O-CB 3.38Å; E446-L450 PolarHBondContact O-N 3.48Å |
| 447 | C | 85.2 | Confident | 81.6 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 9% | 0.088 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 177.8 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | I426 C444 E445 L450 W451 | I426-C447 HydrophobicContact CB-CB 3.78Å; I426-C447 HydrophobicContact CD1-CB 3.63Å; I426-C447 HydrophobicContact CG1-CB 4.32Å; I426-C447 HydrophobicContact CG2-CB 3.76Å; C444-C447 HydrophobicContact CB-CB 4.03Å; C444-C447 WeakPolarHBondContact O-CB 3.45Å; C444-C447 PolarHBondContact O-N 3.44Å; E445-C447 PolarHBondContact O-N 3.25Å; C447-L450 WeakPolarHBondContact O-CB 3.32Å; C447-L450 PolarHBondContact O-N 2.89Å; C447-W451 WeakPolarHBondContact O-CB 3.47Å; C447-W451 PolarHBondContact O-N 2.84Å |
| 448 | L | 82.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 171.2 | -76.1 | 170.3 | 0 | 0 | 0 | 112.3 | I435 L437 F443 C444 E445 L450 W451 F452 P459 | I435-L448 HydrophobicContact CB-CD1 3.88Å; I435-L448 HydrophobicContact CG2-CD1 4.16Å; L437-L448 HydrophobicContact CD1-CD2 3.99Å; L437-L448 HydrophobicContact CD2-CD1 3.81Å; L437-L448 HydrophobicContact CD2-CD2 4.1Å; L437-L448 HydrophobicContact CG-CD1 4.35Å; L437-L448 HydrophobicContact CG-CD2 4.32Å; F443-L448 HydrophobicContact CB-CD1 3.79Å; F443-L448 HydrophobicContact CB-CD2 3.95Å; F443-L448 HydrophobicContact CB-CG 3.56Å; F443-L448 HydrophobicContact CD2-CD1 4.18Å; F443-L448 HydrophobicContact CD2-CD2 3.58Å; F443-L448 HydrophobicContact CD2-CG 4.1Å; F443-L448 HydrophobicContact CE2-CD2 4.18Å; F443-L448 HydrophobicContact CG-CD1 4.41Å; F443-L448 HydrophobicContact CG-CD2 3.86Å; F443-L448 HydrophobicContact CG-CG 4.07Å; C444-L448 PolarHBondContact O-N 3.46Å; E445-L448 PolarHBondContact O-N 2.93Å; L448-L450 VanDerWaalsContact C-N 3.32Å; L448-L450 PolarHBondContact O-N 2.65Å; L448-W451 PolarHBondContact O-N 2.79Å; L448-F452 HydrophobicContact CB-CD2 4.03Å; L448-F452 HydrophobicContact CB-CE2 3.88Å; L448-F452 HydrophobicContact CD2-CD2 4.36Å; L448-F452 HydrophobicContact CD2-CE2 3.61Å; L448-F452 HydrophobicContact CD2-CZ 3.96Å; L448-F452 HydrophobicContact CG-CE2 4.2Å; L448-F452 WeakPolarHBondContact O-CB 3.43Å; L448-F452 WeakPolarHBondContact O-CD2 3.15Å; L448-F452 WeakPolarHBondContact O-CG 3.17Å; L448-F452 PolarHBondContact O-N 2.71Å; L448-P459 HydrophobicContact CD2-CG 4.4Å |
| 449 | C | 75.7 | Confident | 82.2 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.9 | -48.6 | 174.8 | -67.2 | 0 | 0 | 0 | 0 | 110.8 | Y408 E445 E446 W451 D453 | Y408-C449 VanDerWaalsContact CE2-SG 3.57Å; Y408-C449 PolarHBondContact OH-SG 3.42Å; E445-C449 PolarHBondContact O-N 3.37Å; E445-C449 PolarHBondContact O-SG 3.41Å; E446-C449 WeakPolarHBondContact O-CB 3.34Å; E446-C449 PolarHBondContact O-N 3.22Å; C449-W451 PolarHBondContact O-N 3.02Å; C449-D453 PolarHBondContact O-N 2.98Å |
| 450 | L | 75.8 | Confident | 82.3 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.4 | -48.3 | 175 | -84.9 | 155.8 | 0 | 0 | 0 | 113 | E446 C447 L448 | E446-L450 HydrophobicContact CG-CD1 4.18Å; E446-L450 WeakPolarHBondContact O-CB 3.38Å; E446-L450 PolarHBondContact O-N 3.48Å; C447-L450 WeakPolarHBondContact O-CB 3.32Å; C447-L450 PolarHBondContact O-N 2.89Å; L448-L450 VanDerWaalsContact C-N 3.32Å; L448-L450 PolarHBondContact O-N 2.65Å |
| 451 | W | 82.9 | Confident | 82.5 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 31% | 0.307 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.2 | -48.7 | -178.6 | -176.8 | -92 | 0 | 0 | 0 | 112.1 | I426 C447 L448 C449 D453 R454 E455 T457 P459 | I426-W451 HydrophobicContact CD1-CB 4.46Å; C447-W451 WeakPolarHBondContact O-CB 3.47Å; C447-W451 PolarHBondContact O-N 2.84Å; L448-W451 PolarHBondContact O-N 2.79Å; C449-W451 PolarHBondContact O-N 3.02Å; W451-D453 PolarHBondContact O-N 2.89Å; W451-R454 PolarHBondContact O-N 2.87Å; W451-E455 HydrophobicContact CZ2-CB 4.11Å; W451-E455 HydrophobicContact CZ2-CG 4.36Å; W451-E455 PolarHBondContact O-N 2.92Å; W451-T457 VanDerWaalsContact CD1-O 3.29Å; W451-T457 PolarHBondContact NE1-O 2.86Å; W451-P459 HydrophobicContact CB-CG 4.49Å; W451-P459 HydrophobicContact CD2-CB 4.03Å; W451-P459 HydrophobicContact CD2-CG 3.8Å; W451-P459 HydrophobicContact CE3-CB 4.31Å; W451-P459 HydrophobicContact CE3-CG 4.43Å; W451-P459 HydrophobicContact CG-CG 3.79Å; W451-P459 HydrophobicContact CH2-CB 4.37Å; W451-P459 HydrophobicContact CZ2-CB 4.09Å; W451-P459 HydrophobicContact CZ3-CB 4.47Å |
| 452 | F | 75.6 | Confident | 82.4 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.7 | -6.9 | -176.8 | -66.1 | -56.5 | 0 | 0 | 0 | 115.5 | Y408 L437 L448 E455 T457 V465 R470 | Y408-F452 AromaticContact CD1-CD2 3.31Å; Y408-F452 HydrophobicContact CD1-CD2 3.31Å; Y408-F452 AromaticContact CD1-CE2 3.68Å; Y408-F452 HydrophobicContact CD1-CE2 3.68Å; Y408-F452 HydrophobicContact CD1-CG 4.31Å; Y408-F452 HydrophobicContact CE1-CB 4.33Å; Y408-F452 AromaticContact CE1-CD2 3.74Å; Y408-F452 HydrophobicContact CE1-CD2 3.74Å; Y408-F452 HydrophobicContact CE1-CG 4.47Å; Y408-F452 HydrophobicContact CG-CD2 4.44Å; Y408-F452 HydrophobicContact CG-CE2 4.47Å; L437-F452 HydrophobicContact CD1-CZ 4.09Å; L437-F452 HydrophobicContact CD2-CE2 4.06Å; L437-F452 HydrophobicContact CD2-CZ 3.94Å; L448-F452 HydrophobicContact CB-CD2 4.03Å; L448-F452 HydrophobicContact CB-CE2 3.88Å; L448-F452 HydrophobicContact CD2-CD2 4.36Å; L448-F452 HydrophobicContact CD2-CE2 3.61Å; L448-F452 HydrophobicContact CD2-CZ 3.96Å; L448-F452 HydrophobicContact CG-CE2 4.2Å; L448-F452 WeakPolarHBondContact O-CB 3.43Å; L448-F452 WeakPolarHBondContact O-CD2 3.15Å; L448-F452 WeakPolarHBondContact O-CG 3.17Å; L448-F452 PolarHBondContact O-N 2.71Å; F452-E455 WeakPolarHBondContact CA-O 3.24Å; F452-E455 WeakPolarHBondContact CD1-O 3.46Å; F452-T457 WeakPolarHBondContact CE1-O 3.47Å; F452-V465 HydrophobicContact CE1-CB 3.73Å; F452-V465 HydrophobicContact CE1-CG1 4.21Å; F452-V465 HydrophobicContact CE1-CG2 3.67Å; F452-V465 HydrophobicContact CZ-CB 3.81Å; F452-V465 HydrophobicContact CZ-CG1 3.77Å; F452-V465 HydrophobicContact CZ-CG2 3.74Å; F452-R470 VanDerWaalsContact CB-NH1 3.31Å |
| 453 | D | 66.3 | Low | 81.9 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -15.5 | 167.8 | -69.9 | -29.5 | 0 | 0 | 0 | 111.9 | R249 C449 W451 | R249-D453 IonicContact CZ-OD2 3.78Å; R249-D453 IonicContact NH2-OD2 2.65Å; R249-D453 PolarHBondContact NH2-OD2 3.22Å; C449-D453 PolarHBondContact O-N 2.98Å; W451-D453 PolarHBondContact O-N 2.89Å |
| 454 | R | 69.2 | Low | 81.1 | Confident | 201 Ų | 201 | 66.7 Ų | 66.7 | 76% | 0.758 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -62.9 | 176.9 | -58.5 | -180 | -178.9 | -173.1 | 0.2 | 111.5 | W451 | W451-R454 PolarHBondContact O-N 2.87Š|
| 455 | E | 78.4 | Confident | 80.1 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | trans | -108.6 | 127.6 | -172.7 | -78.8 | 63.2 | -111.7 | 0 | 0 | 111.5 | W451 F452 T457 | W451-E455 HydrophobicContact CZ2-CB 4.11Å; W451-E455 HydrophobicContact CZ2-CG 4.36Å; W451-E455 PolarHBondContact O-N 2.92Å; F452-E455 WeakPolarHBondContact CA-O 3.24Å; F452-E455 WeakPolarHBondContact CD1-O 3.46Å; E455-T457 PolarHBondContact O-N 2.92Å | ||
| 456 | R | 75.1 | Confident | 78.9 | Confident | 117 Ų | 117 | 68.3 Ų | 68.3 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -83.5 | 14.4 | -177.4 | -70.4 | -176.4 | 175.6 | 72.7 | 5.4 | 115 | V465 | R456-V465 PolarHBondContact O-N 3.34Š|
| 457 | T | 85.4 | Confident | 77.3 | Confident | 36 Ų | 36 | 69 Ų | 69 | 22% | 0.221 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -117.2 | 158.8 | -169.1 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | W451 F452 E455 R462 S463 T464 | W451-T457 VanDerWaalsContact CD1-O 3.29Å; W451-T457 PolarHBondContact NE1-O 2.86Å; F452-T457 WeakPolarHBondContact CE1-O 3.47Å; E455-T457 PolarHBondContact O-N 2.92Å; T457-R462 WeakPolarHBondContact CB-O 3.25Å; T457-R462 WeakPolarHBondContact CG2-O 3.4Å; T457-S463 CarbonylContact C-O 3.56Å; T457-S463 VanDerWaalsContact CA-O 3.28Å; T457-S463 WeakPolarHBondContact CA-O 3.25Å; T457-T464 HydrophobicContact CG2-CG2 4.26Å |
| 458 | C | 87.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -62 | 132.8 | 172.4 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | L437 L460 C461 R462 S463 V465 | L437-C458 HydrophobicContact CD1-CB 4.05Å; C458-L460 PolarHBondContact O-N 3.49Å; C458-L460 PolarHBondContact SG-N 3.35Å; C458-C461 VanDerWaalsContact CB-SG 3.51Å; C458-R462 WeakPolarHBondContact O-CA 3.27Å; C458-R462 PolarHBondContact O-N 3.33Å; C458-S463 PolarHBondContact N-O 3.32Å; C458-V465 HydrophobicContact CB-CG2 4.31Å | ||
| 459 | P | 89.4 | Confident | 73.6 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -31 | 177.5 | -19.3 | 23.3 | 0 | 0 | 0 | 114.6 | I426 F443 L448 W451 | I426-P459 HydrophobicContact CD1-CB 4.48Å; I426-P459 HydrophobicContact CD1-CG 3.84Å; I426-P459 HydrophobicContact CG1-CB 4.39Å; I426-P459 HydrophobicContact CG1-CG 4.28Å; F443-P459 HydrophobicContact CD1-CG 4.31Å; F443-P459 HydrophobicContact CE1-CB 3.82Å; F443-P459 HydrophobicContact CE1-CG 3.68Å; F443-P459 HydrophobicContact CE2-CG 4.13Å; F443-P459 HydrophobicContact CZ-CB 3.82Å; F443-P459 HydrophobicContact CZ-CG 3.56Å; L448-P459 HydrophobicContact CD2-CG 4.4Å; W451-P459 HydrophobicContact CB-CG 4.49Å; W451-P459 HydrophobicContact CD2-CB 4.03Å; W451-P459 HydrophobicContact CD2-CG 3.8Å; W451-P459 HydrophobicContact CE3-CB 4.31Å; W451-P459 HydrophobicContact CE3-CG 4.43Å; W451-P459 HydrophobicContact CG-CG 3.79Å; W451-P459 HydrophobicContact CH2-CB 4.37Å; W451-P459 HydrophobicContact CZ2-CB 4.09Å; W451-P459 HydrophobicContact CZ3-CB 4.47Å |
| 460 | L | 88.9 | Confident | 72.6 | Confident | 93 Ų | 93 | 76.9 Ų | 76.9 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -58.1 | -176.5 | -71.8 | 168.2 | 0 | 0 | 0 | 112.3 | A425 H441 F443 C458 | A425-L460 HydrophobicContact CB-CD1 4.12Å; A425-L460 HydrophobicContact CB-CD2 4.12Å; A425-L460 HydrophobicContact CB-CG 4.39Å; H441-L460 HydrophobicContact CB-CD1 4.22Å; H441-L460 WeakPolarHBondContact CD2-CD1 3.09Å; F443-L460 HydrophobicContact CE1-CD1 3.91Å; F443-L460 HydrophobicContact CE1-CG 4.06Å; F443-L460 HydrophobicContact CZ-CB 4.31Å; F443-L460 HydrophobicContact CZ-CD1 3.62Å; F443-L460 HydrophobicContact CZ-CG 3.76Å; C458-L460 PolarHBondContact O-N 3.49Å; C458-L460 PolarHBondContact SG-N 3.35Å |
| 461 | C | 89.4 | Confident | 71.7 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 1.8 | -173.8 | 65.1 | 0 | 0 | 0 | 0 | 115.3 | C439 H441 C458 S463 | C439-C461 VanDerWaalsContact CB-SG 3.59Å; C439-C461 VanDerWaalsContact SG-SG 3.61Å; H441-C461 PolarHBondContact ND1-SG 2.97Å; H441-C461 VanDerWaalsContact ND1-SG 3.44Å; C458-C461 VanDerWaalsContact CB-SG 3.51Å; C461-S463 PolarHBondContact O-N 2.66Å; C461-S463 PolarHBondContact SG-OG 3.35Å |
| 462 | R | 87.4 | Confident | 70.7 | Confident | 204 Ų | 204 | 75 Ų | 75 | 77% | 0.77 | 38% | 0.378 | S | S | * | . | trans | 56.2 | 6.5 | -179 | -58.6 | -175.9 | 178.4 | -169.8 | 0 | 116.8 | T457 C458 T464 | T457-R462 WeakPolarHBondContact CB-O 3.25Å; T457-R462 WeakPolarHBondContact CG2-O 3.4Å; C458-R462 WeakPolarHBondContact O-CA 3.27Å; C458-R462 PolarHBondContact O-N 3.33Å; R462-T464 PolarHBondContact O-N 2.99Å | ||
| 463 | S | 81.5 | Confident | 70.2 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | trans | -56.7 | 137.3 | 172.9 | -49.2 | 0 | 0 | 0 | 0 | 111.1 | T457 C458 C461 V465 | T457-S463 CarbonylContact C-O 3.56Å; T457-S463 VanDerWaalsContact CA-O 3.28Å; T457-S463 WeakPolarHBondContact CA-O 3.25Å; C458-S463 PolarHBondContact N-O 3.32Å; C461-S463 PolarHBondContact O-N 2.66Å; C461-S463 PolarHBondContact SG-OG 3.35Å; S463-V465 WeakPolarHBondContact O-CG2 3.22Å; S463-V465 PolarHBondContact O-N 2.89Å | ||
| 464 | T | 74.1 | Confident | 70.4 | Confident | 84 Ų | 84 | 74.3 Ų | 74.3 | 52% | 0.515 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 128.1 | 176.9 | 43.6 | 0 | 0 | 0 | 0 | 110.5 | T457 R462 | T457-T464 HydrophobicContact CG2-CG2 4.26Å; R462-T464 PolarHBondContact O-N 2.99Å |
| 465 | V | 67.4 | Low | 70.5 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 13% | 0.127 | 34% | 0.337 | C | S | . | . | trans | -102.8 | -40.6 | -172.8 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | L437 F452 R456 C458 S463 | L437-V465 HydrophobicContact CD1-CG2 4.18Å; L437-V465 HydrophobicContact CD2-CG1 4.04Å; F452-V465 HydrophobicContact CE1-CB 3.73Å; F452-V465 HydrophobicContact CE1-CG1 4.21Å; F452-V465 HydrophobicContact CE1-CG2 3.67Å; F452-V465 HydrophobicContact CZ-CB 3.81Å; F452-V465 HydrophobicContact CZ-CG1 3.77Å; F452-V465 HydrophobicContact CZ-CG2 3.74Å; R456-V465 PolarHBondContact O-N 3.34Å; C458-V465 HydrophobicContact CB-CG2 4.31Å; S463-V465 WeakPolarHBondContact O-CG2 3.22Å; S463-V465 PolarHBondContact O-N 2.89Å | ||
| 466 | I | 58.2 | Low | 70.8 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | trans | -148.8 | 121.3 | 178.5 | -58.5 | 173.7 | 0 | 0 | 0 | 110.3 | ||||
| 467 | E | 46.2 | Very low | 71.2 | Confident | 155 Ų | 155 | 56.4 Ų | 56.4 | 72% | 0.724 | 31% | 0.306 | S | S | * | . | trans | -96.9 | 151.7 | 169.5 | -95.3 | 168.5 | 138.8 | 0 | 0 | 112.8 | L469 | E467-L469 VanDerWaalsContact C-N 3.3Å; E467-L469 PolarHBondContact O-N 3.36Å | ||
| 468 | A | 43.5 | Very low | 71.3 | Confident | 88 Ų | 88 | 55.4 Ų | 55.4 | 73% | 0.727 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 60.1 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | R470 | A468-R470 PolarHBondContact O-N 2.82Š|
| 469 | L | 48.3 | Very low | 71 | Confident | 84 Ų | 84 | 58.7 Ų | 58.7 | 44% | 0.44 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 23.3 | -159.7 | -148.3 | 77.4 | 0 | 0 | 0 | 116.9 | M401 E467 | M401-L469 HydrophobicContact CE-CD2 3.63Å; M401-L469 HydrophobicContact CE-CG 4.07Å; M401-L469 HydrophobicContact CG-CD2 4.43Å; M401-L469 HydrophobicContact SD-CD2 3.75Å; E467-L469 VanDerWaalsContact C-N 3.3Å; E467-L469 PolarHBondContact O-N 3.36Å |
| 470 | R | 53.8 | Low | 70.7 | Confident | 24 Ų | 24 | 60 Ų | 60 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | 16.7 | -172.3 | -67.4 | -169.1 | 178.4 | 175.9 | -1.3 | 116.6 | F452 A468 K473 | F452-R470 VanDerWaalsContact CB-NH1 3.31Å; A468-R470 PolarHBondContact O-N 2.82Å; R470-K473 HydrophobicContact CB-CD 4.33Å; R470-K473 HydrophobicContact CG-CD 4.17Å |
| 471 | C | 57 | Low | 70.2 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 154.3 | 165.1 | -77.9 | 0 | 0 | 0 | 0 | 110.8 | K473 | C471-K473 PolarHBondContact O-N 3.19Š|
| 472 | W | 61.3 | Low | 69.9 | Low | 49 Ų | 49 | 56.4 Ų | 56.4 | 19% | 0.186 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | -11 | 172.3 | -33.4 | 125.5 | 0 | 0 | 0 | 117.5 | L339 E342 E343 D474 G475 T476 | L339-W472 HydrophobicContact CD1-CB 4.39Å; E342-W472 HydrophobicContact CB-CB 3.8Å; E342-W472 HydrophobicContact CB-CD2 4.46Å; E342-W472 HydrophobicContact CB-CG 3.89Å; E342-W472 HydrophobicContact CG-CB 3.81Å; E342-W472 HydrophobicContact CG-CD2 3.49Å; E342-W472 VanDerWaalsContact CG-CD2 3.49Å; E342-W472 HydrophobicContact CG-CE3 3.93Å; E342-W472 HydrophobicContact CG-CG 3.42Å; E342-W472 VanDerWaalsContact CG-CG 3.42Å; E343-W472 PolarHBondContact OE1-NE1 3.36Å; W472-D474 PolarHBondContact O-N 3.19Å; W472-G475 PolarHBondContact O-N 2.93Å; W472-T476 HydrophobicContact CZ3-CG2 4.33Å |
| 473 | K | 65.9 | Low | 69.3 | Low | 22 Ų | 22 | 48.4 Ų | 48.4 | 10% | 0.096 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.8 | 175 | -70.2 | -162.9 | 177.9 | -172.2 | 0 | 113.5 | G335 L339 R470 C471 G475 | G335-K473 WeakPolarHBondContact O-CA 3.39Å; L339-K473 HydrophobicContact CB-CG 4.24Å; L339-K473 HydrophobicContact CD2-CG 4.43Å; R470-K473 HydrophobicContact CB-CD 4.33Å; R470-K473 HydrophobicContact CG-CD 4.17Å; C471-K473 PolarHBondContact O-N 3.19Å; K473-G475 PolarHBondContact O-N 2.94Å |
| 474 | D | 70.2 | Confident | 68.7 | Low | 51 Ų | 51 | 46.7 Ų | 46.7 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -0.9 | 173.9 | 71.6 | -24.2 | 0 | 0 | 0 | 113.6 | K243 W472 T476 | K243-D474 VanDerWaalsContact CE-OD2 3.22Å; K243-D474 WeakPolarHBondContact CE-OD2 3.3Å; K243-D474 IonicContact NZ-OD2 3.59Å; K243-D474 PolarHBondContact NZ-OD2 3.24Å; W472-D474 PolarHBondContact O-N 3.19Å; D474-T476 VanDerWaalsContact C-N 3.34Å; D474-T476 WeakPolarHBondContact OD1-CB 3.33Å; D474-T476 PolarHBondContact OD1-N 2.83Å; D474-T476 VanDerWaalsContact OD1-N 3.09Å; D474-T476 PolarHBondContact OD1-OG1 3.47Å; D474-T476 PolarHBondContact OD2-OG1 3.17Å |
| 475 | G | 71.7 | Confident | 68.4 | Low | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | 88.6 | -11.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F242 K318 W472 K473 T477 | F242-G475 WeakPolarHBondContact CE1-O 3.34Å; K318-G475 WeakPolarHBondContact CD-O 3.38Å; K318-G475 PolarHBondContact NZ-O 3.44Å; K318-G475 VanDerWaalsContact NZ-O 3.15Å; W472-G475 PolarHBondContact O-N 2.93Å; K473-G475 PolarHBondContact O-N 2.94Å; G475-T477 PolarHBondContact O-N 3.46Å | ||
| 476 | T | 84.8 | Confident | 68.5 | Low | 27 Ų | 27 | 46.1 Ų | 46.1 | 17% | 0.166 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 136 | -178.5 | -61.3 | 0 | 0 | 0 | 0 | 111 | K243 K318 W472 D474 | K243-T476 PolarHBondContact NZ-OG1 2.84Å; K318-T476 PolarHBondContact NZ-O 3.38Å; W472-T476 HydrophobicContact CZ3-CG2 4.33Å; D474-T476 VanDerWaalsContact C-N 3.34Å; D474-T476 WeakPolarHBondContact OD1-CB 3.33Å; D474-T476 PolarHBondContact OD1-N 2.83Å; D474-T476 VanDerWaalsContact OD1-N 3.09Å; D474-T476 PolarHBondContact OD1-OG1 3.47Å; D474-T476 PolarHBondContact OD2-OG1 3.17Å |
| 477 | T | 83.9 | Confident | 69.1 | Low | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 140.3 | 166 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | F235 N239 K311 T314 I315 K318 E342 G475 A479 | F235-T477 HydrophobicContact CE2-CG2 4.02Å; N239-T477 PolarHBondContact ND2-O 3.01Å; N239-T477 VanDerWaalsContact ND2-O 3.09Å; N239-T477 PolarHBondContact OD1-N 2.98Å; K311-T477 HydrophobicContact CG-CG2 4.29Å; T314-T477 HydrophobicContact CG2-CG2 4.24Å; I315-T477 HydrophobicContact CG1-CG2 4.38Å; I315-T477 WeakPolarHBondContact CG1-OG1 3.29Å; K318-T477 PolarHBondContact NZ-OG1 2.87Å; E342-T477 WeakPolarHBondContact OE2-CA 3.31Å; E342-T477 PolarHBondContact OE2-OG1 2.86Å; G475-T477 PolarHBondContact O-N 3.46Å; T477-A479 PolarHBondContact O-N 2.87Å |
| 478 | S | 85.6 | Confident | 70.4 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 125.7 | -177.1 | -168.2 | 0 | 0 | 0 | 0 | 112.7 | K311 E342 H480 | K311-S478 VanDerWaalsContact CE-O 3.24Å; K311-S478 WeakPolarHBondContact CE-O 3.38Å; E342-S478 VanDerWaalsContact OE1-CB 3.29Å; E342-S478 WeakPolarHBondContact OE1-CB 3.47Å; E342-S478 PolarHBondContact OE1-N 3.36Å; S478-H480 PolarHBondContact O-N 3.46Å; S478-H480 WeakPolarHBondContact OG-CB 3.31Å; S478-H480 PolarHBondContact OG-N 3.01Å |
| 479 | A | 81.5 | Confident | 72.1 | Confident | 69 Ų | 69 | 36.6 Ų | 36.6 | 57% | 0.57 | 20% | 0.199 | S | C | * | . | trans | -70.5 | -23.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F235 K311 T477 F481 | F235-A479 HydrophobicContact CE1-CB 3.88Å; F235-A479 HydrophobicContact CZ-CB 4.25Å; K311-A479 PolarHBondContact NZ-O 3.08Å; T477-A479 PolarHBondContact O-N 2.87Å; A479-F481 PolarHBondContact O-N 2.93Å | ||
| 480 | H | 83.8 | Confident | 73.7 | Confident | 56 Ų | 56 | 33.4 Ų | 33.4 | 26% | 0.259 | 18% | 0.183 | S | C | . | . | trans | -50.6 | 125.7 | -176.4 | 177.8 | 94.6 | 0 | 0 | 0 | 112 | W166 R349 S478 | W166-H480 AromaticContact CD1-CE1 3.34Å; W166-H480 AromaticContact CD1-ND1 3.58Å; W166-H480 AromaticContact NE1-CE1 3.98Å; R349-H480 PolarHBondContact NH2-O 3.28Å; S478-H480 PolarHBondContact O-N 3.46Å; S478-H480 WeakPolarHBondContact OG-CB 3.31Å; S478-H480 PolarHBondContact OG-N 3.01Å | ||
| 481 | F | 77.9 | Confident | 75.1 | Confident | 63 Ų | 63 | 34.1 Ų | 34.1 | 28% | 0.276 | 19% | 0.19 | S | C | . | . | trans | -92.6 | 122.4 | -176.1 | -168.4 | -124.5 | 0 | 0 | 0 | 109.7 | G304 D307 F308 A479 I483 | G304-F481 VanDerWaalsContact CA-CZ 3.43Å; D307-F481 HydrophobicContact CB-CD2 4.04Å; D307-F481 HydrophobicContact CB-CE2 3.84Å; D307-F481 VanDerWaalsContact CG-CD2 3.41Å; D307-F481 WeakPolarHBondContact OD2-CD2 3.38Å; F308-F481 HydrophobicContact CD2-CE2 4.08Å; F308-F481 HydrophobicContact CE2-CD2 4.17Å; F308-F481 AromaticContact CE2-CE2 3.78Å; F308-F481 HydrophobicContact CE2-CE2 3.78Å; A479-F481 PolarHBondContact O-N 2.93Å; F481-I483 HydrophobicContact CD1-CD1 3.65Å; F481-I483 HydrophobicContact CD1-CG1 3.33Å; F481-I483 HydrophobicContact CE1-CD1 3.77Å; F481-I483 HydrophobicContact CE1-CG1 3.5Å; F481-I483 VanDerWaalsContact CE1-CG1 3.5Å; F481-I483 HydrophobicContact CG-CG1 4.28Å | ||
| 482 | Q | 83.1 | Confident | 76.5 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | trans | -103.4 | 81.3 | -171.9 | -68.6 | 177.8 | 20.5 | 0 | 0 | 109.1 | D307 Q346 R349 A350 R391 | D307-Q482 PolarHBondContact OD1-N 2.92Å; Q346-Q482 PolarHBondContact O-OE1 3.38Å; R349-Q482 VanDerWaalsContact C-OE1 3.25Å; A350-Q482 VanDerWaalsContact N-OE1 3.12Å; R391-Q482 VanDerWaalsContact NH1-CD 3.31Å | ||
| 483 | I | 75.3 | Confident | 77.7 | Confident | 36 Ų | 36 | 30.3 Ų | 30.3 | 19% | 0.185 | 17% | 0.169 | C | C | . | . | trans | -72.2 | -32.3 | -178.2 | -56.6 | -178.2 | 0 | 0 | 0 | 111.6 | W166 I300 W357 F481 | W166-I483 HydrophobicContact CZ2-CD1 4.24Å; I300-I483 HydrophobicContact CD1-CG2 3.41Å; I300-I483 VanDerWaalsContact CD1-CG2 3.41Å; W357-I483 HydrophobicContact CZ2-CG2 4.21Å; W357-I483 PolarHBondContact NE1-O 3.39Å; F481-I483 HydrophobicContact CD1-CD1 3.65Å; F481-I483 HydrophobicContact CD1-CG1 3.33Å; F481-I483 HydrophobicContact CE1-CD1 3.77Å; F481-I483 HydrophobicContact CE1-CG1 3.5Å; F481-I483 VanDerWaalsContact CE1-CG1 3.5Å; F481-I483 HydrophobicContact CG-CG1 4.28Å | ||
| 484 | Y | 69.1 | Low | 78.8 | Confident | 17 Ų | 17 | 31 Ų | 31 | 7% | 0.067 | 18% | 0.176 | C | C | . | . | trans | -119.4 | 0 | -167 | 59.7 | -101.2 | 0 | 0 | 0 | 112.6 | R169 G170 F173 Y380 K384 | R169-Y484 VanDerWaalsContact C-OH 3.32Å; R169-Y484 WeakPolarHBondContact CB-OH 3.3Å; R169-Y484 PolarHBondContact O-OH 3.48Å; G170-Y484 PolarHBondContact N-OH 3.26Å; F173-Y484 HydrophobicContact CB-CD1 4.44Å; F173-Y484 HydrophobicContact CB-CD2 4.44Å; F173-Y484 HydrophobicContact CB-CG 4.02Å; F173-Y484 AromaticContact CD1-CD2 3.91Å; F173-Y484 HydrophobicContact CD1-CD2 3.91Å; F173-Y484 HydrophobicContact CD1-CG 4.09Å; F173-Y484 HydrophobicContact CD2-CD1 4.27Å; F173-Y484 AromaticContact CD2-CD2 3.24Å; F173-Y484 HydrophobicContact CD2-CD2 3.24Å; F173-Y484 HydrophobicContact CD2-CE1 4.48Å; F173-Y484 AromaticContact CD2-CE2 3.5Å; F173-Y484 HydrophobicContact CD2-CE2 3.5Å; F173-Y484 VanDerWaalsContact CD2-CE2 3.5Å; F173-Y484 AromaticContact CD2-CG 3.67Å; F173-Y484 HydrophobicContact CD2-CG 3.67Å; F173-Y484 AromaticContact CE1-CD2 3.91Å; F173-Y484 HydrophobicContact CE1-CD2 3.91Å; F173-Y484 AromaticContact CE2-CD2 3.25Å; F173-Y484 HydrophobicContact CE2-CD2 3.25Å; F173-Y484 AromaticContact CE2-CE2 3.33Å; F173-Y484 HydrophobicContact CE2-CE2 3.33Å; F173-Y484 HydrophobicContact CE2-CG 4.15Å; F173-Y484 HydrophobicContact CG-CD1 4.4Å; F173-Y484 AromaticContact CG-CD2 3.59Å; F173-Y484 HydrophobicContact CG-CD2 3.59Å; F173-Y484 HydrophobicContact CG-CE2 4.3Å; F173-Y484 AromaticContact CG-CG 3.64Å; F173-Y484 HydrophobicContact CG-CG 3.64Å; F173-Y484 AromaticContact CZ-CD2 3.6Å; F173-Y484 HydrophobicContact CZ-CD2 3.6Å; F173-Y484 HydrophobicContact CZ-CE2 4.01Å; Y380-Y484 PolarHBondContact OH-OXT 2.71Å; K384-Y484 VanDerWaalsContact CE-OXT 3.24Å; K384-Y484 WeakPolarHBondContact CE-OXT 3.32Å; K384-Y484 PolarHBondContact NZ-O 3.1Å; K384-Y484 PolarHBondContact NZ-OXT 2.65Å |
Retrieved 484 of 484 residues in 172.5 ms
(Link to these results)