| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 36.6 | Very low | 250 Ų | 250 | 146.8 Ų | 146.8 | 100% | 1.232 | 83% | 0.832 | S | S | * | * | 0 | 162.8 | 0 | -79.6 | 169 | 168.5 | 0 | 0 | 108.9 | |||||
| 2 | S | 32.9 | Very low | 36.2 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -56.9 | 168.1 | 176.4 | -29.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | T | 37.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | cis | -179.1 | 156.6 | -10.8 | 22.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | T | 36.7 | Very low | 35.6 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 67.2 | 131.7 | 137.7 | -61.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 5 | F | 41.6 | Very low | 35.3 | Very low | 203 Ų | 203 | 145.7 Ų | 145.7 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -78.4 | 148.2 | 157 | -88.7 | -90.2 | 0 | 0 | 0 | 110.4 | ||||
| 6 | P | 54.2 | Low | 35.2 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -154.6 | -148.7 | 67.5 | 41.8 | -19.1 | 0 | 0 | 0 | 114.2 | |||||
| 7 | G | 32.5 | Very low | 35 | Very low | 71 Ų | 71 | 148.6 Ų | 148.6 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -148.9 | 179.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 8 | L | 32 | Very low | 34.6 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -157 | 130.5 | 178.4 | -91.1 | 155 | 0 | 0 | 0 | 106.6 | ||||
| 9 | V | 37.5 | Very low | 34.5 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | 57.9 | 112.8 | 67.6 | -166.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 10 | H | 33.7 | Very low | 34.3 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | 164.6 | 178.8 | 144.8 | -93.7 | 86.4 | 0 | 0 | 0 | 110.9 | ||||
| 11 | D | 29.4 | Very low | 34.1 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | -146.5 | 178.6 | -101.6 | -143.2 | -39.9 | 0 | 0 | 0 | 111.9 | |||||
| 12 | A | 31.7 | Very low | 34.2 | Very low | 79 Ų | 79 | 139.4 Ų | 139.4 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | trans | 0.6 | 142.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 13 | E | 30.6 | Very low | 34.3 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | -171.3 | 140.6 | 73.7 | -89.2 | -154.2 | 114.6 | 0 | 0 | 117.3 | |||||
| 14 | I | 33.2 | Very low | 33.9 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 57% | 0.569 | 77% | 0.771 | S | S | * | * | trans | 31.7 | 117.7 | 132.3 | -33.5 | -178.5 | 0 | 0 | 0 | 123.1 | ||||
| 15 | R | 30.9 | Very low | 33.7 | Very low | 222 Ų | 222 | 146.3 Ų | 146.3 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | 164 | 168 | 116.1 | -88.3 | -177.3 | -176.7 | 77.3 | -0.6 | 112.5 | |||||
| 16 | H | 34.2 | Very low | 33.1 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | -175.3 | 101 | -50.5 | -144.6 | -65.1 | 0 | 0 | 0 | 110 | |||||
| 17 | D | 31.1 | Very low | 32 | Very low | 171 Ų | 171 | 145 Ų | 145 | 91% | 0.914 | 76% | 0.758 | S | S | * | * | trans | -175 | 148.5 | 160.1 | -127.6 | -10.8 | 0 | 0 | 0 | 109.7 | ||||
| 18 | G | 29.1 | Very low | 31.7 | Very low | 54 Ų | 54 | 145.1 Ų | 145.1 | 56% | 0.557 | 76% | 0.76 | S | S | * | * | cis | 173.3 | 131.5 | -11.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 19 | S | 31.3 | Very low | 31.4 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | 62 | 159.1 | 168 | -61 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 20 | N | 31.4 | Very low | 30.9 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | cis | -160.7 | 164.1 | -16.8 | -112.1 | -35.9 | 0 | 0 | 0 | 106.1 | ||||
| 21 | S | 29.6 | Very low | 30.6 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -161.3 | 152.8 | -4.3 | 43.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 22 | Y | 36.7 | Very low | 30.5 | Very low | 234 Ų | 234 | 141.7 Ų | 141.7 | 92% | 0.918 | 75% | 0.754 | S | S | * | * | trans | -127.8 | 122.3 | 167 | -93.1 | -85.6 | 0 | 0 | 0 | 109.4 | ||||
| 23 | R | 34.3 | Very low | 30.3 | Very low | 231 Ų | 231 | 144.3 Ų | 144.3 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -165.9 | 156.2 | 173 | -86.3 | -146.7 | 177.2 | -174.9 | 0.4 | 110.8 | ||||
| 24 | L | 31.3 | Very low | 30.2 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 62% | 0.623 | 76% | 0.76 | S | S | * | * | cis | -174.9 | 140.2 | -25.7 | -157.4 | 78.1 | 0 | 0 | 0 | 108.9 | ||||
| 25 | M | 30.6 | Very low | 29.8 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 63.3 | 166.1 | 146 | -86.8 | 171 | 176.7 | 0 | 0 | 119.5 | ||||
| 26 | Q | 30.3 | Very low | 29.7 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -161.5 | 171.3 | -9.2 | 162.9 | 166.1 | -12.1 | 0 | 0 | 112.6 | ||||
| 27 | L | 30.4 | Very low | 29.5 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -35.3 | 151.6 | 175.1 | -68.8 | 152.2 | 0 | 0 | 0 | 119.2 | ||||
| 28 | G | 26.5 | Very low | 29.4 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | -150.7 | 152.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 29 | C | 26.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 135 Ų | 135 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -139.3 | 164.1 | -165.8 | -61.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 30 | L | 26.9 | Very low | 29.4 | Very low | 148 Ų | 148 | 140 Ų | 140 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 76.7 | 137.6 | 159.4 | -68.3 | 170.6 | 0 | 0 | 0 | 120.9 | ||||
| 31 | E | 27 | Very low | 29.3 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | 66.9 | 154.4 | 146.4 | -70.9 | 162.2 | -152.9 | 0 | 0 | 119.1 | ||||
| 32 | S | 27.9 | Very low | 29.4 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | cis | -142 | -167.9 | 11.1 | -152.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 33 | V | 27.5 | Very low | 29.1 | Very low | 133 Ų | 133 | 132 Ų | 132 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | -111 | 146.4 | -166.5 | 176.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 34 | A | 27.5 | Very low | 28.9 | Very low | 86 Ų | 86 | 126.5 Ų | 126.5 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 161.2 | 137.2 | 130.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 35 | N | 25.9 | Very low | 29.4 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 8.6 | 134.1 | 143.3 | -50.3 | -12.5 | 0 | 0 | 0 | 120.4 | ||||
| 36 | S | 28.6 | Very low | 29.3 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | -177.7 | 168.5 | 101.5 | -78.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 37 | T | 29.6 | Very low | 29.3 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -96.5 | -172.7 | -168.1 | 44.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 38 | V | 29.2 | Very low | 29.4 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 83.8 | 148.3 | 166.7 | -168.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 39 | A | 29.8 | Very low | 29.4 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | -179.6 | 174.3 | -50.3 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 40 | Y | 30.6 | Very low | 29.7 | Very low | 218 Ų | 218 | 133.1 Ų | 133.1 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | 68.8 | 154.5 | 175.4 | -63.2 | -91.5 | 0 | 0 | 0 | 116.8 | ||||
| 41 | S | 29.5 | Very low | 29.9 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | cis | -172.6 | 153.7 | -34.8 | -104 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 42 | S | 31.1 | Very low | 30.2 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 62.4 | 152 | 159.2 | 62.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 43 | S | 29.9 | Very low | 30.4 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | cis | -143.4 | 165.5 | 19.1 | -64.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 44 | S | 30 | Very low | 30.8 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -96.9 | -167.8 | 173.1 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 45 | P | 43.3 | Very low | 31 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | -121.1 | 172.7 | -71.3 | 36.9 | -23.6 | 0 | 0 | 0 | 111.8 | |||||
| 46 | L | 28.1 | Very low | 31.5 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -131 | 144.8 | 167.7 | -81.8 | 175.1 | 0 | 0 | 0 | 113.7 | ||||
| 47 | T | 30 | Very low | 31.7 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 138.3 | -176.9 | 46.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 48 | Y | 31.8 | Very low | 32.2 | Very low | 237 Ų | 237 | 135 Ų | 135 | 93% | 0.929 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 128.7 | 164.1 | -89.4 | -90.1 | 0 | 0 | 0 | 111.1 | ||
| 49 | S | 26.6 | Very low | 32.5 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 155 | 164.8 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 50 | T | 32.2 | Very low | 32.7 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 126.3 | 178.7 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 51 | T | 32.3 | Very low | 32.7 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 93% | 0.926 | 82% | 0.819 | S | S | * | * | -173.7 | 153.8 | 127.9 | 29.9 | 0 | 0 | 0 | 0 | 108 | |||||
| 52 | G | 32.3 | Very low | 32.9 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -115.4 | 168.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 53 | T | 32.6 | Very low | 33 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 95% | 0.945 | 82% | 0.824 | S | S | * | * | trans | -147.1 | 154.9 | 160 | 14.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 54 | E | 36 | Very low | 33.2 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -79.6 | 145.4 | -172.7 | -58.8 | 171.5 | 119 | 0 | 0 | 112.3 | ||||
| 55 | F | 32.3 | Very low | 33.4 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | trans | -142.6 | 106.5 | 154.5 | -142.5 | -89.9 | 0 | 0 | 0 | 109.6 | ||||
| 56 | A | 36.5 | Very low | 32.8 | Very low | 92 Ų | 92 | 155.1 Ų | 155.1 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | trans | -81.6 | 150.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 57 | S | 31.7 | Very low | 33 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | trans | -130.2 | 136.7 | 163.8 | -80.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 58 | P | 41.6 | Very low | 33 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 68% | 0.682 | 83% | 0.827 | S | S | * | * | trans | -85.2 | 175.1 | -167 | 33 | -36.6 | 0 | 0 | 0 | 114.6 | ||||
| 59 | Y | 34 | Very low | 32.9 | Very low | 208 Ų | 208 | 149.3 Ų | 149.3 | 82% | 0.816 | 83% | 0.825 | S | S | * | * | trans | 75.6 | 83 | 171.9 | -52.2 | -73.3 | 0 | 0 | 0 | 117.5 | ||||
| 60 | F | 33.4 | Very low | 33.2 | Very low | 215 Ų | 215 | 152.7 Ų | 152.7 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | -145 | 140.9 | 116.5 | -102.8 | -73.5 | 0 | 0 | 0 | 110.2 | |||||
| 61 | S | 31.8 | Very low | 33 | Very low | 119 Ų | 119 | 154.7 Ų | 154.7 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -79.4 | 141.3 | -173.7 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 62 | T | 32.9 | Very low | 32.7 | Very low | 130 Ų | 130 | 154.6 Ų | 154.6 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | trans | -79.6 | 125.9 | 172.9 | 45.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 63 | N | 33.1 | Very low | 32.5 | Very low | 136 Ų | 136 | 155.2 Ų | 155.2 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -176.6 | 122.5 | 135.2 | -109.1 | -74.1 | 0 | 0 | 0 | 111.5 | ||||
| 64 | H | 34.5 | Very low | 32.2 | Very low | 179 Ų | 179 | 156.3 Ų | 156.3 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | 173.3 | 124.5 | 114.9 | -85.1 | -54.5 | 0 | 0 | 0 | 109 | |||||
| 65 | Q | 34.1 | Very low | 31.8 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -79 | 137.8 | 176.7 | -65.5 | 171.9 | -23.6 | 0 | 0 | 110.6 | ||||
| 66 | Y | 30.7 | Very low | 31.5 | Very low | 229 Ų | 229 | 156.1 Ų | 156.1 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -146.3 | 164.1 | 151.8 | -96.4 | -72.2 | 0 | 0 | 0 | 110.8 | ||||
| 67 | T | 32.3 | Very low | 31.1 | Very low | 120 Ų | 120 | 159.1 Ų | 159.1 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 149.7 | -160.3 | 46.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 68 | P | 31.2 | Very low | 30.8 | Very low | 127 Ų | 127 | 161.4 Ų | 161.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 135.9 | 175.7 | 30 | -35 | 0 | 0 | 0 | 112 | ||
| 69 | L | 29.9 | Very low | 30.1 | Very low | 171 Ų | 171 | 164.2 Ų | 164.2 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85 | 138 | 168.6 | -102.6 | 168.3 | 0 | 0 | 0 | 110.5 | H71 | L69-H71 PolarHBondContact O-N 2.88Š|
| 70 | H | 31 | Very low | 30 | Very low | 182 Ų | 182 | 161.1 Ų | 161.1 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -70.2 | 111.7 | -175.6 | -159.4 | -97.4 | 0 | 0 | 0 | 110.9 | Q72 | H70-Q72 PolarHBondContact O-N 3.49Š| ||
| 71 | H | 28.3 | Very low | 29.7 | Very low | 167 Ų | 167 | 156.5 Ų | 156.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -79.6 | 103.7 | -176.8 | -148 | 92 | 0 | 0 | 0 | 110.2 | L69 S73 | L69-H71 PolarHBondContact O-N 2.88Å; H71-S73 PolarHBondContact O-N 3.08Å; H71-S73 VanDerWaalsContact O-N 3.08Å | ||
| 72 | Q | 27.4 | Very low | 29.6 | Very low | 149 Ų | 149 | 159 Ų | 159 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | trans | -82.6 | 83.9 | 177.5 | -166.5 | 175.2 | 69.5 | 0 | 0 | 110.1 | H70 F74 | H70-Q72 PolarHBondContact O-N 3.49Å; Q72-F74 PolarHBondContact O-N 3.42Å | ||
| 73 | S | 27.3 | Very low | 30 | Very low | 87 Ų | 87 | 158.6 Ų | 158.6 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | trans | -67.8 | 113.5 | 177.4 | -60 | 0 | 0 | 0 | 0 | 111.4 | H71 H75 | H71-S73 PolarHBondContact O-N 3.08Å; H71-S73 VanDerWaalsContact O-N 3.08Å; S73-H75 PolarHBondContact O-N 2.84Å; S73-H75 VanDerWaalsContact O-N 3.11Å | ||
| 74 | F | 26.3 | Very low | 29.8 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -75.9 | 95 | 169.5 | -77.9 | -88.3 | 0 | 0 | 0 | 110.2 | Q72 | Q72-F74 PolarHBondContact O-N 3.42Š| ||
| 75 | H | 27.9 | Very low | 29.6 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -72.4 | 123.1 | 169.7 | -127.5 | -97 | 0 | 0 | 0 | 109.5 | S73 | S73-H75 PolarHBondContact O-N 2.84Å; S73-H75 VanDerWaalsContact O-N 3.11Å | ||
| 76 | Y | 26.2 | Very low | 29.4 | Very low | 220 Ų | 220 | 151.9 Ų | 151.9 | 86% | 0.863 | 78% | 0.778 | S | S | * | * | trans | -104.3 | 112.9 | 167.9 | -118.4 | -87.6 | 0 | 0 | 0 | 108 | ||||
| 77 | E | 27 | Very low | 29.9 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -112.7 | 146 | 168.2 | -166.5 | 176 | 160.5 | 0 | 0 | 109.1 | ||||
| 78 | F | 25.1 | Very low | 29.7 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | -130.2 | 106.1 | -167.3 | -177.1 | -108.8 | 0 | 0 | 0 | 110.5 | H80 | F78-H80 AromaticContact CE1-CE1 3.31Å; F78-H80 WeakPolarHBondContact CE1-CE1 3.31Å; F78-H80 AromaticContact CE1-ND1 3.89Å; F78-H80 AromaticContact CE1-NE2 3.84Å; F78-H80 AromaticContact CZ-CE1 3.72Å; F78-H80 AromaticContact CZ-NE2 3.77Å | ||
| 79 | Q | 27.6 | Very low | 29.5 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | trans | -126.3 | 142.6 | 170.1 | -69.7 | -167 | 3.4 | 0 | 0 | 110.6 | ||||
| 80 | H | 32 | Very low | 29.6 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | trans | -95 | 135 | -177.8 | -67.1 | 88.5 | 0 | 0 | 0 | 111.8 | F78 | F78-H80 AromaticContact CE1-CE1 3.31Å; F78-H80 WeakPolarHBondContact CE1-CE1 3.31Å; F78-H80 AromaticContact CE1-ND1 3.89Å; F78-H80 AromaticContact CE1-NE2 3.84Å; F78-H80 AromaticContact CZ-CE1 3.72Å; F78-H80 AromaticContact CZ-NE2 3.77Å | ||
| 81 | S | 27 | Very low | 29.5 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -169.2 | 155.3 | 133.6 | 22.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 82 | H | 29.1 | Very low | 29.5 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | -105.1 | -177.6 | -176.9 | -51 | -80.5 | 0 | 0 | 0 | 110.1 | ||||
| 83 | P | 42.8 | Very low | 29.6 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | cis | -137.9 | 178.1 | 0.1 | 39 | -19.5 | 0 | 0 | 0 | 116.9 | ||||
| 84 | A | 29.1 | Very low | 29.7 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | 65.6 | 115.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 85 | V | 30.4 | Very low | 30 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | 178.8 | 146.4 | 113.1 | 150.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 86 | T | 29.4 | Very low | 30.2 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -136.8 | 169.1 | 173.2 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 87 | P | 40.6 | Very low | 30.3 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | -130.2 | 152.2 | -59.7 | 36.9 | -23.8 | 0 | 0 | 0 | 111.2 | |||||
| 88 | D | 27.6 | Very low | 30.4 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -151.2 | 153.8 | 166 | -124.3 | -36.2 | 0 | 0 | 0 | 113.4 | ||||
| 89 | A | 28.6 | Very low | 30.6 | Very low | 84 Ų | 84 | 140 Ų | 140 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | -126.3 | 113.5 | -161.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 90 | Y | 31.4 | Very low | 30.8 | Very low | 217 Ų | 217 | 138.2 Ų | 138.2 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -149.8 | 148.1 | 168.1 | -72.2 | -80.3 | 0 | 0 | 0 | 108 | ||||
| 91 | S | 27.8 | Very low | 30.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -156 | 171.3 | -12.9 | -142.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 92 | L | 28.5 | Very low | 30.8 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -89.4 | 159.3 | 176.4 | -88.4 | 170.1 | 0 | 0 | 0 | 113.6 | ||||
| 93 | N | 30.9 | Very low | 30.9 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | 82.1 | 142.7 | 172.9 | -44.9 | -66.2 | 0 | 0 | 0 | 114.7 | ||||
| 94 | S | 27.6 | Very low | 30.2 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | cis | -147.5 | 162.2 | 34 | -64.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 95 | L | 32.7 | Very low | 30.2 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 90% | 0.901 | 75% | 0.751 | S | S | * | * | trans | -84.9 | 137 | 167.5 | -90.6 | 159.8 | 0 | 0 | 0 | 111.6 | ||||
| 96 | H | 33.8 | Very low | 30.3 | Very low | 173 Ų | 173 | 143 Ų | 143 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | trans | -147.4 | 104.5 | 158.4 | -155.3 | -94.4 | 0 | 0 | 0 | 109.1 | ||||
| 97 | H | 28.4 | Very low | 30.3 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | 67.5 | 114 | 90.9 | -110.9 | 106.8 | 0 | 0 | 0 | 115.2 | |||||
| 98 | S | 27.6 | Very low | 29.7 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -132 | 150.3 | 154.8 | 56.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 99 | Q | 29 | Very low | 29.8 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | trans | -146.5 | -168.3 | -167.4 | -118.5 | -80.7 | 0.4 | 0 | 0 | 108.8 | ||||
| 100 | Q | 32.3 | Very low | 30.7 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 59% | 0.593 | 73% | 0.734 | S | S | * | * | trans | 74 | 133.8 | -173.7 | -38.6 | -74.5 | -109 | 0 | 0 | 111.9 | ||||
| 101 | Y | 28.7 | Very low | 30.6 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | cis | -160.7 | 175.1 | -10.5 | -102.6 | -36.6 | 0 | 0 | 0 | 106.5 | ||||
| 102 | Y | 31.4 | Very low | 30.7 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 66% | 0.659 | 73% | 0.728 | S | S | * | * | cis | -159.5 | -172.1 | 8.3 | -132.7 | -4.6 | 0 | 0 | 0 | 107.7 | ||||
| 103 | Q | 29.8 | Very low | 30.6 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 64% | 0.64 | 73% | 0.731 | S | S | * | * | cis | -141.9 | -100.1 | 0.5 | -162.9 | 171.2 | -27.8 | 0 | 0 | 113.1 | ||||
| 104 | Q | 29.3 | Very low | 30.7 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 61% | 0.612 | 73% | 0.732 | S | S | * | * | trans | -149.6 | 165.6 | -159.5 | -70.6 | 161.8 | -42 | 0 | 0 | 109.1 | ||||
| 105 | I | 28.2 | Very low | 30.8 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | cis | -142.8 | 147.3 | 38.8 | -82.1 | 176.2 | 0 | 0 | 0 | 112.9 | ||||
| 106 | H | 32 | Very low | 30.7 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 63% | 0.634 | 73% | 0.734 | S | S | * | * | trans | -13.6 | 154.3 | 162.2 | -50.5 | -99.3 | 0 | 0 | 0 | 119.8 | ||||
| 107 | H | 30.7 | Very low | 30.6 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | cis | -141.9 | 172.4 | 19 | -61.7 | -108.6 | 0 | 0 | 0 | 111.1 | ||||
| 108 | G | 27 | Very low | 30.5 | Very low | 62 Ų | 62 | 145.3 Ų | 145.3 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | cis | 137.7 | 119.6 | -10.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 109 | E | 31 | Very low | 30.6 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | 66.8 | 151.1 | 156.8 | -56.2 | -52.4 | 89 | 0 | 0 | 122.6 | ||||
| 110 | P | 45.9 | Very low | 30.6 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | cis | -140.1 | -153.4 | -38.7 | 40.9 | -22.3 | 0 | 0 | 0 | 113.4 | ||||
| 111 | T | 29.5 | Very low | 30.5 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | 78.1 | 132.7 | -179.8 | 73.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 112 | D | 30.1 | Very low | 30.5 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | cis | -150.1 | 170.4 | -4.6 | -110.4 | -30.2 | 0 | 0 | 0 | 113.3 | ||||
| 113 | F | 27.6 | Very low | 30.4 | Very low | 192 Ų | 192 | 150 Ų | 150 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | -63.9 | 164.5 | 172.7 | -83 | -125.8 | 0 | 0 | 0 | 111.5 | ||||
| 114 | I | 32.4 | Very low | 30.2 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | -156.2 | 149.8 | 50.8 | -75.9 | 173.8 | 0 | 0 | 0 | 111.2 | |||||
| 115 | N | 29.6 | Very low | 30.1 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -84.8 | 146.9 | 166.7 | -95.4 | -67.5 | 0 | 0 | 0 | 112.5 | ||||
| 116 | L | 30 | Very low | 30 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -141.9 | 145.9 | 158.2 | -167.7 | 57.8 | 0 | 0 | 0 | 112.9 | ||||
| 117 | H | 31.6 | Very low | 29.8 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | trans | -95.3 | 157.9 | -169.3 | -112.5 | -39.4 | 0 | 0 | 0 | 114.3 | ||||
| 118 | N | 27.7 | Very low | 29.7 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 4 | 126.8 | 146.9 | -71.2 | -54.3 | 0 | 0 | 0 | 118.8 | ||||
| 119 | A | 28.4 | Very low | 29.7 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -132.5 | 130.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 120 | R | 29.9 | Very low | 29.6 | Very low | 256 Ų | 256 | 148.5 Ų | 148.5 | 97% | 0.966 | 80% | 0.799 | S | S | * | * | trans | -98.2 | 139.8 | 164.6 | -76.6 | -176.7 | 173.1 | 116.4 | -6.9 | 108.6 | ||||
| 121 | A | 29 | Very low | 28.8 | Very low | 102 Ų | 102 | 152.7 Ų | 152.7 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -142.1 | 153.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 122 | L | 29.1 | Very low | 28.9 | Very low | 166 Ų | 166 | 158.2 Ų | 158.2 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -145.3 | 157 | -174.5 | -88.7 | 175.7 | 0 | 0 | 0 | 111.8 | ||||
| 123 | K | 29 | Very low | 28.8 | Very low | 196 Ų | 196 | 158.3 Ų | 158.3 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | trans | 80.7 | 155.1 | 160.5 | -74.9 | -178.6 | 173 | -176.5 | 0 | 120.2 | ||||
| 124 | S | 25.5 | Very low | 28.9 | Very low | 111 Ų | 111 | 157.1 Ų | 157.1 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 75.9 | 115.4 | 165.7 | -94.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 125 | S | 28.4 | Very low | 28.6 | Very low | 106 Ų | 106 | 153 Ų | 153 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | 89.3 | 141.1 | 61.7 | 72.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 126 | C | 25 | Very low | 28.6 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 70% | 0.696 | 81% | 0.807 | S | S | * | * | cis | -178.6 | 145.7 | -0.2 | 162.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 127 | L | 28.2 | Very low | 28.5 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 61.9 | 160.8 | 170.6 | -71.6 | 166.9 | 0 | 0 | 0 | 116.4 | ||||
| 128 | D | 29.1 | Very low | 28.4 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | cis | -159.7 | -175.6 | -32.5 | -154 | -17.7 | 0 | 0 | 0 | 108.7 | ||||
| 129 | E | 27.2 | Very low | 28.5 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 60% | 0.603 | 80% | 0.799 | S | S | * | * | trans | 65.4 | 96 | 150.7 | -161.2 | 83.3 | 103.7 | 0 | 0 | 118.4 | ||||
| 130 | Q | 28.7 | Very low | 28.5 | Very low | 202 Ų | 202 | 154 Ų | 154 | 94% | 0.944 | 80% | 0.802 | S | S | * | * | -151.2 | 130 | 115.2 | -131.3 | -173.3 | -105.8 | 0 | 0 | 113.6 | |||||
| 131 | R | 28.1 | Very low | 28.5 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -108.8 | 126.6 | -171 | -177.8 | -163.5 | -50.5 | -159.1 | 2.9 | 112.6 | ||||
| 132 | R | 31.6 | Very low | 28.5 | Very low | 235 Ų | 235 | 158.2 Ų | 158.2 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -150 | 112.4 | 145.3 | -83 | -170.9 | 175.9 | 178.8 | -2.3 | 106.3 | ||||
| 133 | E | 29.6 | Very low | 28.6 | Very low | 150 Ų | 150 | 159 Ų | 159 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | 59.9 | 138 | 72 | -71.9 | -155.5 | 126.2 | 0 | 0 | 114.7 | |||||
| 134 | L | 29.9 | Very low | 28.7 | Very low | 167 Ų | 167 | 156.6 Ų | 156.6 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | cis | -166.3 | 153.1 | -26.1 | -155.2 | 71.3 | 0 | 0 | 0 | 106.7 | ||||
| 135 | G | 26.2 | Very low | 29 | Very low | 68 Ų | 68 | 158.8 Ų | 158.8 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | 175.5 | 118 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 136 | C | 27.6 | Very low | 29.1 | Very low | 140 Ų | 140 | 158.3 Ų | 158.3 | 95% | 0.946 | 79% | 0.791 | S | S | * | * | trans | 71.2 | 97.6 | 171.8 | -58.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 137 | L | 29.6 | Very low | 29.3 | Very low | 165 Ų | 165 | 161 Ų | 161 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -101.9 | 175.4 | 156.8 | -115.5 | 172.4 | 0 | 0 | 0 | 109.6 | ||||
| 138 | D | 29.5 | Very low | 29.4 | Very low | 152 Ų | 152 | 162.5 Ų | 162.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 64.3 | 144.6 | 174.4 | -72.8 | -21.8 | 0 | 0 | 0 | 117.8 | ||||
| 139 | A | 28.7 | Very low | 29.3 | Very low | 76 Ų | 76 | 160.4 Ų | 160.4 | 63% | 0.628 | 80% | 0.799 | S | S | * | * | cis | -162.4 | 158.3 | -19.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 140 | Y | 28.4 | Very low | 29.6 | Very low | 235 Ų | 235 | 163.6 Ų | 163.6 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | -160.2 | 164.7 | 119.5 | -129.1 | -101.7 | 0 | 0 | 0 | 112.9 | |||||
| 141 | R | 30.2 | Very low | 29.5 | Very low | 217 Ų | 217 | 157.6 Ų | 157.6 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | -97.7 | 154.9 | -164.9 | -169.2 | 175.2 | -68.1 | 152.6 | 0.6 | 112.4 | ||||
| 142 | R | 29.3 | Very low | 29.5 | Very low | 230 Ų | 230 | 154 Ų | 154 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -49.3 | 146.2 | 166.2 | -59.9 | 175.9 | -176.8 | 154.1 | -0.9 | 111 | ||||
| 143 | H | 31.2 | Very low | 29.4 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -135.6 | 133 | 141.1 | -102.5 | -84.2 | 0 | 0 | 0 | 109.5 | ||||
| 144 | D | 30.5 | Very low | 29.6 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -128.3 | 134.1 | 166.8 | 177.7 | 18.1 | 0 | 0 | 0 | 105.4 | ||||
| 145 | L | 31.9 | Very low | 29.5 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -179.6 | 149.4 | 163.3 | -107.5 | 163.8 | 0 | 0 | 0 | 109.9 | ||||
| 146 | S | 29.8 | Very low | 29.7 | Very low | 95 Ų | 95 | 153.3 Ų | 153.3 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -116.2 | -174.2 | 179.7 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 147 | L | 30.5 | Very low | 30 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 95.4 | 136.3 | 161.2 | -72.4 | 165.6 | 0 | 0 | 0 | 120.9 | ||||
| 148 | M | 30.6 | Very low | 30.6 | Very low | 183 Ų | 183 | 152 Ų | 152 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | 88.4 | 149.8 | 153.4 | -72.4 | 173.5 | 75 | 0 | 0 | 120.7 | ||||
| 149 | S | 26.9 | Very low | 31.4 | Very low | 94 Ų | 94 | 150 Ų | 150 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -126 | 147.4 | -163.7 | 163 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 150 | H | 33.5 | Very low | 31.6 | Very low | 195 Ų | 195 | 152.7 Ų | 152.7 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | trans | 163.2 | 157.5 | 135.7 | -89.4 | -67.1 | 0 | 0 | 0 | 109.7 | ||||
| 151 | G | 27.2 | Very low | 31.9 | Very low | 76 Ų | 76 | 147.2 Ų | 147.2 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 134.2 | 109.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 152 | S | 28 | Very low | 31.9 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -92.5 | 168.7 | -179.2 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 153 | Q | 28.3 | Very low | 32.8 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | trans | 93.2 | 136.4 | 135.8 | -97.6 | 169.2 | 11 | 0 | 0 | 121.6 | ||||
| 154 | Y | 34.2 | Very low | 32.7 | Very low | 210 Ų | 210 | 136.6 Ų | 136.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 63.7 | 144 | 170 | -43.4 | -64.6 | 0 | 0 | 0 | 116.9 | ||||
| 155 | G | 26.9 | Very low | 32.7 | Very low | 63 Ų | 63 | 134.3 Ų | 134.3 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | cis | 172.9 | 171.8 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 156 | M | 31.8 | Very low | 32.5 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 93% | 0.931 | 77% | 0.766 | S | S | * | * | trans | 75.4 | 99.7 | 167.6 | -44.5 | -52.6 | -100.8 | 0 | 0 | 119.9 | ||||
| 157 | H | 33 | Very low | 32.5 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | trans | -73.3 | 174.4 | 137.4 | -125.3 | -129.4 | 0 | 0 | 0 | 108.5 | ||||
| 158 | P | 43.1 | Very low | 32.4 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | cis | -147.1 | -147.3 | 34.1 | 47.4 | -25.7 | 0 | 0 | 0 | 112.3 | ||||
| 159 | P | 46.1 | Very low | 32.3 | Very low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | cis | -124.4 | 173.6 | -23.3 | 35.1 | -17.3 | 0 | 0 | 0 | 114.8 | ||||
| 160 | V | 32.1 | Very low | 32.5 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | -95.3 | 154.9 | 165.3 | -75.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 161 | P | 36.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -118.3 | 138.8 | 155.7 | 35.7 | -26.2 | 0 | 0 | 0 | 113.6 | ||||
| 162 | S | 29.9 | Very low | 33 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -172.5 | 158.3 | 171.3 | -76.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 163 | P | 47.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | cis | -142.9 | -160.6 | 30.9 | 27.7 | 0.1 | 0 | 0 | 0 | 114.8 | ||||
| 164 | F | 29.8 | Very low | 33.7 | Very low | 191 Ų | 191 | 134.2 Ų | 134.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | 75.3 | 144.4 | 168.2 | -55.3 | -60.9 | 0 | 0 | 0 | 117 | ||||
| 165 | S | 29.1 | Very low | 34 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | cis | -157.3 | 165.4 | -3.3 | -122.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 166 | S | 28.4 | Very low | 34.4 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | 56.7 | 100 | 151.5 | 60.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 167 | A | 29.5 | Very low | 34.4 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | 83.2 | 146 | 110.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 168 | Q | 27.9 | Very low | 34.6 | Very low | 178 Ų | 178 | 128.2 Ų | 128.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 57.8 | 115.9 | 165.9 | -57.9 | -178.8 | 37.4 | 0 | 0 | 116.9 | ||||
| 169 | N | 28.7 | Very low | 34.1 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | -158.1 | 166.9 | 60.9 | -131.2 | -28.2 | 0 | 0 | 0 | 113.9 | |||||
| 170 | S | 30.8 | Very low | 33.8 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -96.9 | 134.3 | -177.9 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 171 | S | 31.6 | Very low | 33.9 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -155.7 | 145.3 | 155.8 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 172 | L | 39.3 | Very low | 33.9 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -110.6 | 32.6 | -160.3 | -68.1 | 170.9 | 0 | 0 | 0 | 114.6 | ||||
| 173 | E | 35.5 | Very low | 34.2 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | -124.7 | 69.1 | -177.3 | -69.2 | -150.4 | 112.9 | 0 | 0 | 114.7 | ||||
| 174 | A | 37.5 | Very low | 33.8 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -148.8 | 47.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 175 | Q | 39.5 | Very low | 34.1 | Very low | 193 Ų | 193 | 124.1 Ų | 124.1 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -127.9 | 27.9 | -177.8 | -115.8 | 179.1 | 28.3 | 0 | 0 | 117.9 | G177 | Q175-G177 VanDerWaalsContact C-N 3.32Å; Q175-G177 PolarHBondContact O-N 2.96Å | ||
| 176 | C | 34.9 | Very low | 34.9 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -82.5 | 82.9 | 147 | -84.2 | 0 | 0 | 0 | 0 | 109 | L178 | C176-L178 PolarHBondContact O-N 3.13Š|
| 177 | G | 31.5 | Very low | 35.5 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | -59.4 | 98.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q175 V179 | Q175-G177 VanDerWaalsContact C-N 3.32Å; Q175-G177 PolarHBondContact O-N 2.96Å; G177-V179 PolarHBondContact O-N 2.99Å | ||
| 178 | L | 37.3 | Very low | 36.2 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 71% | 0.707 | 77% | 0.767 | S | S | * | * | trans | -93.8 | 68.4 | 162.6 | -82.1 | 172 | 0 | 0 | 0 | 110.2 | C176 L180 | C176-L178 PolarHBondContact O-N 3.13Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 3.21Å | ||
| 179 | V | 33.8 | Very low | 36.5 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -92.5 | 73.6 | 159.5 | -172.6 | 0 | 0 | 0 | 0 | 107.7 | G177 | G177-V179 PolarHBondContact O-N 2.99Š| ||
| 180 | L | 38.8 | Very low | 37 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | -73.1 | 118.6 | 153.9 | -71.2 | 175.8 | 0 | 0 | 0 | 105.8 | L178 G182 | L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 3.21Å; L180-G182 PolarHBondContact O-N 3.44Å | ||
| 181 | N | 35.1 | Very low | 37.7 | Very low | 129 Ų | 129 | 128 Ų | 128 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -62.9 | 126.2 | -175 | -166.1 | 28.7 | 0 | 0 | 0 | 109.8 | Q183 G184 | N181-Q183 PolarHBondContact O-N 3.15Å; N181-G184 PolarHBondContact O-N 3.32Å; N181-G184 VanDerWaalsContact O-N 3.15Å | ||
| 182 | G | 35.3 | Very low | 38.6 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 18.9 | -161.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | L180 | L180-G182 PolarHBondContact O-N 3.44Š|
| 183 | Q | 36.8 | Very low | 39.5 | Very low | 183 Ų | 183 | 122 Ų | 122 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | -1.7 | -179.3 | -67.5 | 176.9 | -22 | 0 | 0 | 112.8 | N181 G185 | N181-Q183 PolarHBondContact O-N 3.15Å; Q183-G185 PolarHBondContact O-N 3.32Å |
| 184 | G | 39 | Very low | 40.7 | Very low | 60 Ų | 60 | 119 Ų | 119 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -88.3 | 91.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N181 V186 | N181-G184 PolarHBondContact O-N 3.32Å; N181-G184 VanDerWaalsContact O-N 3.15Å; G184-V186 PolarHBondContact O-N 3.07Å; G184-V186 VanDerWaalsContact O-N 3.09Å |
| 185 | G | 36.6 | Very low | 42.6 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | -66.2 | 104 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q183 I187 | Q183-G185 PolarHBondContact O-N 3.32Å; G185-I187 PolarHBondContact O-N 3.02Å | ||
| 186 | V | 44.7 | Very low | 44.7 | Very low | 89 Ų | 89 | 110.6 Ų | 110.6 | 54% | 0.539 | 68% | 0.683 | S | S | . | * | trans | -72 | 94.6 | 169.7 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | G184 R188 | G184-V186 PolarHBondContact O-N 3.07Å; G184-V186 VanDerWaalsContact O-N 3.09Å; V186-R188 PolarHBondContact O-N 2.89Å | ||
| 187 | I | 42.2 | Very low | 47.1 | Very low | 127 Ų | 127 | 108.3 Ų | 108.3 | 65% | 0.651 | 67% | 0.668 | S | S | * | * | trans | -67.6 | 94.7 | 177.8 | -60.2 | 179.6 | 0 | 0 | 0 | 109.5 | G185 R189 | G185-I187 PolarHBondContact O-N 3.02Å; I187-R189 VanDerWaalsContact C-N 3.26Å; I187-R189 HydrophobicContact CG2-CG 4.28Å; I187-R189 PolarHBondContact O-N 3.29Å | ||
| 188 | R | 42.8 | Very low | 49.7 | Very low | 217 Ų | 217 | 108.4 Ų | 108.4 | 82% | 0.819 | 66% | 0.655 | S | S | * | * | trans | -74.2 | 73.4 | 170.8 | -76.7 | -176.6 | 162.7 | -170.8 | -4 | 111.2 | V186 | V186-R188 PolarHBondContact O-N 2.89Š| ||
| 189 | R | 35.9 | Very low | 52.3 | Low | 212 Ų | 212 | 105.4 Ų | 105.4 | 80% | 0.8 | 64% | 0.639 | S | S | * | * | trans | -83.7 | 114.8 | 157.9 | -90 | -170.8 | 170 | -168.5 | -2.1 | 109 | I187 | I187-R189 VanDerWaalsContact C-N 3.26Å; I187-R189 HydrophobicContact CG2-CG 4.28Å; I187-R189 PolarHBondContact O-N 3.29Å | ||
| 190 | G | 37.8 | Very low | 55.1 | Low | 75 Ų | 75 | 103.3 Ų | 103.3 | 77% | 0.773 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.7 | 77.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | T192 | G190-T192 PolarHBondContact O-N 2.91Š|
| 191 | G | 47.1 | Very low | 57.7 | Low | 92 Ų | 92 | 97 Ų | 97 | 95% | 0.948 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.6 | -20.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 192 | T | 49.5 | Very low | 60.5 | Low | 99 Ų | 99 | 91.8 Ų | 91.8 | 61% | 0.607 | 56% | 0.564 | S | S | * | * | trans | -111 | 126.2 | 179.3 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | G190 V194 | G190-T192 PolarHBondContact O-N 2.91Å; T192-V194 PolarHBondContact O-N 3.43Å | ||
| 193 | C | 57.7 | Low | 63.3 | Low | 62 Ų | 62 | 91.2 Ų | 91.2 | 42% | 0.419 | 55% | 0.547 | S | S | . | . | trans | -73.6 | 118 | 163.8 | -67.9 | 0 | 0 | 0 | 0 | 108.1 | V195 | C193-V195 HydrophobicContact CB-CG2 3.96Å; C193-V195 PolarHBondContact O-N 2.9Å | ||
| 194 | V | 61.6 | Low | 66.1 | Low | 128 Ų | 128 | 82.8 Ų | 82.8 | 78% | 0.776 | 51% | 0.508 | S | S | * | . | trans | -73.6 | 96.7 | 167.5 | -178 | 0 | 0 | 0 | 0 | 107.7 | T192 | T192-V194 PolarHBondContact O-N 3.43Š| ||
| 195 | V | 77.4 | Confident | 68.5 | Low | 40 Ų | 40 | 82.8 Ų | 82.8 | 24% | 0.242 | 50% | 0.497 | C | S | . | . | trans | -93.8 | 123.7 | -179 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | C193 I221 L262 | C193-V195 HydrophobicContact CB-CG2 3.96Å; C193-V195 PolarHBondContact O-N 2.9Å; V195-I221 HydrophobicContact CG1-CD1 3.33Å; V195-I221 HydrophobicContact CG1-CG1 4.48Å; V195-I221 HydrophobicContact CG1-CG2 3.94Å; V195-L262 HydrophobicContact CG1-CD2 4.03Å; V195-L262 HydrophobicContact CG2-CB 4.36Å; V195-L262 HydrophobicContact CG2-CD2 3.78Å | ||
| 196 | N | 83.9 | Confident | 71.2 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 41% | 0.412 | 47% | 0.47 | S | S | . | . | trans | -80.1 | 126.4 | 176 | -179.4 | -6.4 | 0 | 0 | 0 | 109.3 | T198 D199 | N196-T198 VanDerWaalsContact CG-OG1 3.28Å; N196-T198 PolarHBondContact ND2-OG1 3.39Å; N196-T198 VanDerWaalsContact ND2-OG1 3.09Å; N196-T198 PolarHBondContact O-N 3.4Å; N196-T198 PolarHBondContact OD1-N 3.31Å; N196-T198 VanDerWaalsContact OD1-N 3.08Å; N196-T198 PolarHBondContact OD1-OG1 3.13Å; N196-T198 VanDerWaalsContact OD1-OG1 3.13Å; N196-D199 WeakPolarHBondContact CB-OD2 3.42Å; N196-D199 PolarHBondContact N-OD2 3.02Å; N196-D199 WeakPolarHBondContact O-CB 3.43Å; N196-D199 VanDerWaalsContact O-CG 3.32Å; N196-D199 PolarHBondContact O-N 3.11Å | ||
| 197 | P | 84.3 | Confident | 73.4 | Confident | 63 Ų | 63 | 80.4 Ų | 80.4 | 41% | 0.409 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.9 | 177.5 | -27.1 | 35.5 | 0 | 0 | 0 | 114.2 | D199 A222 | P197-D199 VanDerWaalsContact C-N 3.28Å; P197-D199 PolarHBondContact O-N 2.76Å; P197-A222 HydrophobicContact CB-CB 3.98Å; P197-A222 WeakPolarHBondContact O-CB 3.39Å; P197-A222 PolarHBondContact O-N 3.08Å |
| 198 | T | 87.3 | Confident | 75.7 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 41% | 0.411 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.7 | 179.8 | 70.3 | 0 | 0 | 0 | 0 | 114 | N196 | N196-T198 VanDerWaalsContact CG-OG1 3.28Å; N196-T198 PolarHBondContact ND2-OG1 3.39Å; N196-T198 VanDerWaalsContact ND2-OG1 3.09Å; N196-T198 PolarHBondContact O-N 3.4Å; N196-T198 PolarHBondContact OD1-N 3.31Å; N196-T198 VanDerWaalsContact OD1-N 3.08Å; N196-T198 PolarHBondContact OD1-OG1 3.13Å; N196-T198 VanDerWaalsContact OD1-OG1 3.13Å |
| 199 | D | 91 | Very high | 77.8 | Confident | 72 Ų | 72 | 70.1 Ų | 70.1 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -63.5 | 151.5 | -177 | -68.1 | -25.5 | 0 | 0 | 0 | 112.1 | N196 P197 F201 T220 I221 | N196-D199 WeakPolarHBondContact CB-OD2 3.42Å; N196-D199 PolarHBondContact N-OD2 3.02Å; N196-D199 WeakPolarHBondContact O-CB 3.43Å; N196-D199 VanDerWaalsContact O-CG 3.32Å; N196-D199 PolarHBondContact O-N 3.11Å; P197-D199 VanDerWaalsContact C-N 3.28Å; P197-D199 PolarHBondContact O-N 2.76Å; D199-F201 PolarHBondContact O-N 2.69Å; D199-T220 CarbonylContact O-C 3.54Å; D199-T220 VanDerWaalsContact O-CA 3.26Å; D199-T220 WeakPolarHBondContact O-CA 3.48Å; D199-I221 HydrophobicContact CB-CD1 3.81Å; D199-I221 HydrophobicContact CB-CG1 4.29Å; D199-I221 PolarHBondContact O-N 3.48Å |
| 200 | L | 92.6 | Very high | 80.2 | Confident | 92 Ų | 92 | 66 Ų | 66 | 48% | 0.482 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 113.3 | 178.8 | -176.1 | 69.3 | 0 | 0 | 0 | 110.7 | C202 K218 | L200-C202 WeakPolarHBondContact CD1-O 3.48Å; L200-K218 HydrophobicContact CD1-CB 3.65Å; L200-K218 HydrophobicContact CD1-CG 3.88Å |
| 201 | F | 93.9 | Very high | 82.2 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.018 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -48.7 | 169.4 | -171 | -76 | 0 | 0 | 0 | 110.6 | D199 V219 I221 V224 L243 L255 K258 L259 L262 | D199-F201 PolarHBondContact O-N 2.69Å; F201-V219 HydrophobicContact CB-CG1 4.49Å; F201-V219 PolarHBondContact N-O 3.42Å; F201-I221 HydrophobicContact CB-CG1 4.09Å; F201-I221 HydrophobicContact CD2-CG1 4.31Å; F201-V224 HydrophobicContact CB-CG2 4.02Å; F201-V224 HydrophobicContact CD1-CG2 4.3Å; F201-V224 HydrophobicContact CD2-CB 4.37Å; F201-V224 HydrophobicContact CD2-CG1 4.27Å; F201-V224 HydrophobicContact CD2-CG2 4.05Å; F201-V224 HydrophobicContact CE2-CG1 4.31Å; F201-V224 HydrophobicContact CG-CG2 3.84Å; F201-L243 HydrophobicContact CD1-CD1 4.5Å; F201-L243 HydrophobicContact CE1-CD1 4.49Å; F201-L255 HydrophobicContact CE1-CD1 4.26Å; F201-L255 HydrophobicContact CZ-CD1 3.98Å; F201-K258 HydrophobicContact CE1-CD 3.96Å; F201-K258 HydrophobicContact CE1-CG 4.49Å; F201-K258 HydrophobicContact CE2-CD 4.26Å; F201-K258 HydrophobicContact CE2-CG 4.03Å; F201-K258 HydrophobicContact CZ-CB 4.41Å; F201-K258 HydrophobicContact CZ-CD 3.69Å; F201-K258 HydrophobicContact CZ-CG 3.73Å; F201-K258 PolarHBondContact O-NZ 2.68Å; F201-L259 HydrophobicContact CE2-CD2 3.76Å; F201-L259 HydrophobicContact CE2-CG 4.35Å; F201-L259 HydrophobicContact CZ-CD2 4.2Å; F201-L259 HydrophobicContact CZ-CG 4.42Å; F201-L262 HydrophobicContact CD2-CD1 3.73Å; F201-L262 HydrophobicContact CE2-CD1 3.67Å |
| 202 | C | 93.8 | Very high | 83.8 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 14% | 0.135 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 160.9 | 173.3 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | L200 V219 R245 | L200-C202 WeakPolarHBondContact CD1-O 3.48Å; C202-V219 PolarHBondContact N-O 2.85Å; C202-V219 WeakPolarHBondContact O-CB 3.5Å; C202-V219 PolarHBondContact O-N 3.21Å; C202-R245 PolarHBondContact SG-NH1 3.12Å |
| 203 | S | 94.6 | Very high | 85.1 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 47% | 0.469 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 140.9 | 162 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | Y217 | S203-Y217 CarbonylContact C-O 3.6Å; S203-Y217 VanDerWaalsContact CA-O 3.29Å; S203-Y217 WeakPolarHBondContact CA-O 3.41Å |
| 204 | V | 93.6 | Very high | 86.1 | Confident | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.03 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.2 | -175.2 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | K216 Y217 V219 L243 R244 | V204-K216 CarbonylContact O-C 3.57Å; V204-K216 WeakPolarHBondContact O-CA 3.38Å; V204-Y217 PolarHBondContact N-O 2.94Å; V204-Y217 PolarHBondContact O-N 3.31Å; V204-V219 HydrophobicContact CB-CG2 4.36Å; V204-V219 HydrophobicContact CG2-CB 4.48Å; V204-V219 HydrophobicContact CG2-CG2 3.64Å; V204-L243 HydrophobicContact CG2-CB 4.47Å; V204-L243 HydrophobicContact CG2-CD2 3.92Å; V204-R244 HydrophobicContact CG1-CB 4.44Å; V204-R244 HydrophobicContact CG1-CG 3.6Å |
| 205 | P | 91.4 | Very high | 87.3 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 39% | 0.39 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 138.7 | 172.2 | -20 | 32.5 | 0 | 0 | 0 | 111.4 | T214 | P205-T214 HydrophobicContact CB-CG2 4.46Å |
| 206 | G | 91.2 | Very high | 88 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 14% | 0.144 | 42% | 0.415 | C | S | . | . | trans | -53.2 | 148.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | S215 E286 | G206-S215 PolarHBondContact N-O 3.4Å; G206-E286 VanDerWaalsContact CA-OE1 3.27Å; G206-E286 WeakPolarHBondContact CA-OE1 3.24Å | ||
| 207 | R | 91.1 | Very high | 88.5 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -80.7 | -31.9 | 165.3 | -175.4 | 174.3 | -61.1 | -94.1 | 3.5 | 112.5 | R244 S281 L282 E286 | R207-R244 VanDerWaalsContact CB-NH2 3.28Å; R207-S281 WeakPolarHBondContact CD-OG 2.89Å; R207-S281 VanDerWaalsContact CZ-CB 3.48Å; R207-S281 VanDerWaalsContact CZ-O 3.27Å; R207-S281 PolarHBondContact NE-O 3.17Å; R207-S281 PolarHBondContact NE-OG 3.49Å; R207-S281 PolarHBondContact NH2-O 2.61Å; R207-L282 HydrophobicContact CB-CD2 4.38Å; R207-E286 WeakPolarHBondContact CA-OE1 3.25Å; R207-E286 PolarHBondContact N-OE1 3.02Å; R207-E286 PolarHBondContact N-OE2 2.76Å |
| 208 | L | 91.1 | Very high | 89 | Confident | 96 Ų | 96 | 75 Ų | 75 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -99.7 | -6.1 | -175.2 | -53.8 | 179.9 | 0 | 0 | 0 | 112.7 | L282 E286 L290 | L208-L282 HydrophobicContact CD1-CD2 4.14Å; L208-L282 HydrophobicContact CG-CD2 4.25Å; L208-E286 PolarHBondContact N-OE1 2.68Å; L208-L290 HydrophobicContact CD1-CB 4.46Å; L208-L290 HydrophobicContact CD1-CD1 4Å; L208-L290 HydrophobicContact CD1-CD2 3.9Å; L208-L290 HydrophobicContact CD1-CG 4.34Å |
| 209 | S | 86.8 | Confident | 89.4 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | trans | -69.6 | 131.8 | 176.4 | -63 | 0 | 0 | 0 | 0 | 112.6 | S213 S215 | S209-S213 WeakPolarHBondContact CB-O 3.36Å; S209-S215 VanDerWaalsContact OG-CB 3.3Å; S209-S215 WeakPolarHBondContact OG-CB 3.45Å; S209-S215 PolarHBondContact OG-N 2.93Å; S209-S215 PolarHBondContact OG-OG 2.99Å | ||
| 210 | L | 86.6 | Confident | 89.5 | Confident | 125 Ų | 125 | 69.4 Ų | 69.4 | 65% | 0.654 | 38% | 0.383 | S | S | * | . | trans | -68.1 | 154.8 | 167.4 | -61.3 | 178.2 | 0 | 0 | 0 | 111 | S212 S213 T214 | L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 3.45Å; L210-S213 CarbonylContact O-C 3.17Å; L210-S213 PolarHBondContact O-N 3.08Å; L210-T214 PolarHBondContact O-N 3.1Å | ||
| 211 | L | 80.1 | Confident | 89.6 | Confident | 170 Ų | 170 | 65.6 Ų | 65.6 | 89% | 0.89 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -56.4 | -41.7 | -178.3 | -64.1 | 174.8 | 0 | 0 | 0 | 112.7 | S213 T214 | L211-S213 VanDerWaalsContact C-N 3.27Å; L211-S213 PolarHBondContact O-N 3.36Å; L211-T214 PolarHBondContact O-OG1 3.41Å; L211-T214 VanDerWaalsContact O-OG1 3.05Å |
| 212 | S | 80.7 | Confident | 89.5 | Confident | 109 Ų | 109 | 65.6 Ų | 65.6 | 76% | 0.762 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -66.6 | -22.8 | 176 | 45.7 | 0 | 0 | 0 | 0 | 114.3 | L210 | L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 3.45Å |
| 213 | S | 76.3 | Confident | 89.6 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -129.1 | 56.9 | -174.3 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | S209 L210 L211 S215 | S209-S213 WeakPolarHBondContact CB-O 3.36Å; L210-S213 CarbonylContact O-C 3.17Å; L210-S213 PolarHBondContact O-N 3.08Å; L211-S213 VanDerWaalsContact C-N 3.27Å; L211-S213 PolarHBondContact O-N 3.36Å; S213-S215 PolarHBondContact O-N 3.33Å |
| 214 | T | 79 | Confident | 89.5 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | trans | -71.3 | 87.8 | -176.1 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | P205 L210 L211 | P205-T214 HydrophobicContact CB-CG2 4.46Å; L210-T214 PolarHBondContact O-N 3.1Å; L211-T214 PolarHBondContact O-OG1 3.41Å; L211-T214 VanDerWaalsContact O-OG1 3.05Å | ||
| 215 | S | 86 | Confident | 89.5 | Confident | 51 Ų | 51 | 67.5 Ų | 67.5 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | trans | -65.3 | 141.8 | 170.6 | -44.2 | 0 | 0 | 0 | 0 | 111.1 | G206 S209 S213 | G206-S215 PolarHBondContact N-O 3.4Å; S209-S215 VanDerWaalsContact OG-CB 3.3Å; S209-S215 WeakPolarHBondContact OG-CB 3.45Å; S209-S215 PolarHBondContact OG-N 2.93Å; S209-S215 PolarHBondContact OG-OG 2.99Å; S213-S215 PolarHBondContact O-N 3.33Å | ||
| 216 | K | 92.3 | Very high | 89.6 | Confident | 153 Ų | 153 | 65.3 Ų | 65.3 | 67% | 0.665 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 113.4 | 173.9 | -69.6 | 176.8 | -176.3 | 170.6 | 0 | 109.7 | V204 | V204-K216 CarbonylContact O-C 3.57Å; V204-K216 WeakPolarHBondContact O-CA 3.38Å |
| 217 | Y | 94.4 | Very high | 89.7 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 11% | 0.106 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 138.6 | -178.3 | -65.2 | -75.1 | 0 | 0 | 0 | 111.4 | S203 V204 V283 G285 E286 H289 | S203-Y217 CarbonylContact C-O 3.6Å; S203-Y217 VanDerWaalsContact CA-O 3.29Å; S203-Y217 WeakPolarHBondContact CA-O 3.41Å; V204-Y217 PolarHBondContact N-O 2.94Å; V204-Y217 PolarHBondContact O-N 3.31Å; Y217-V283 HydrophobicContact CD2-CG2 4.42Å; Y217-V283 HydrophobicContact CG-CG2 4.14Å; Y217-G285 WeakPolarHBondContact CE1-O 3.34Å; Y217-E286 HydrophobicContact CD1-CB 4.26Å; Y217-E286 HydrophobicContact CD2-CB 3.77Å; Y217-E286 HydrophobicContact CD2-CG 4.25Å; Y217-E286 HydrophobicContact CE1-CB 4.15Å; Y217-E286 HydrophobicContact CE2-CB 3.64Å; Y217-E286 HydrophobicContact CE2-CG 3.7Å; Y217-E286 HydrophobicContact CG-CB 4.07Å; Y217-H289 HydrophobicContact CE1-CB 4.23Å; Y217-H289 AromaticContact CE1-CG 3.79Å; Y217-H289 AromaticContact CE1-ND1 3.72Å |
| 218 | K | 94.7 | Very high | 89.7 | Confident | 160 Ų | 160 | 60.9 Ų | 60.9 | 70% | 0.696 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 118.9 | 175 | -69.3 | 177.6 | -179 | 175.6 | 0 | 109.3 | L200 | L200-K218 HydrophobicContact CD1-CB 3.65Å; L200-K218 HydrophobicContact CD1-CG 3.88Å |
| 219 | V | 95.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121 | 171.6 | 172 | 0 | 0 | 0 | 0 | 108.7 | F201 C202 V204 E223 V224 L243 V283 | F201-V219 HydrophobicContact CB-CG1 4.49Å; F201-V219 PolarHBondContact N-O 3.42Å; C202-V219 PolarHBondContact N-O 2.85Å; C202-V219 WeakPolarHBondContact O-CB 3.5Å; C202-V219 PolarHBondContact O-N 3.21Å; V204-V219 HydrophobicContact CB-CG2 4.36Å; V204-V219 HydrophobicContact CG2-CB 4.48Å; V204-V219 HydrophobicContact CG2-CG2 3.64Å; V219-E223 HydrophobicContact CG1-CB 4.44Å; V219-E223 HydrophobicContact CG1-CG 4.25Å; V219-V224 HydrophobicContact CG1-CG2 3.66Å; V219-L243 HydrophobicContact CB-CD2 4.17Å; V219-L243 HydrophobicContact CG1-CD2 3.75Å; V219-L243 HydrophobicContact CG2-CD2 3.74Å; V219-V283 HydrophobicContact CG2-CB 3.96Å; V219-V283 HydrophobicContact CG2-CG1 3.63Å; V219-V283 HydrophobicContact CG2-CG2 4.39Å |
| 220 | T | 94.6 | Very high | 89.9 | Confident | 22 Ų | 22 | 61.5 Ų | 61.5 | 14% | 0.135 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 163.5 | -179.5 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | D199 A222 E223 V224 | D199-T220 CarbonylContact O-C 3.54Å; D199-T220 VanDerWaalsContact O-CA 3.26Å; D199-T220 WeakPolarHBondContact O-CA 3.48Å; T220-A222 PolarHBondContact O-N 3.29Å; T220-E223 PolarHBondContact O-N 3.36Å; T220-E223 PolarHBondContact OG1-N 2.62Å; T220-E223 VanDerWaalsContact OG1-N 3.08Å; T220-V224 WeakPolarHBondContact O-CG2 3.28Å; T220-V224 PolarHBondContact O-N 3.47Å; T220-V224 VanDerWaalsContact O-N 3.14Å |
| 221 | I | 93.1 | Very high | 90.1 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.7 | -31.9 | 169.9 | -61 | -177.3 | 0 | 0 | 0 | 110.6 | V195 D199 F201 V224 K225 L262 L264 | V195-I221 HydrophobicContact CG1-CD1 3.33Å; V195-I221 HydrophobicContact CG1-CG1 4.48Å; V195-I221 HydrophobicContact CG1-CG2 3.94Å; D199-I221 HydrophobicContact CB-CD1 3.81Å; D199-I221 HydrophobicContact CB-CG1 4.29Å; D199-I221 PolarHBondContact O-N 3.48Å; F201-I221 HydrophobicContact CB-CG1 4.09Å; F201-I221 HydrophobicContact CD2-CG1 4.31Å; I221-V224 PolarHBondContact O-N 3.07Å; I221-K225 VanDerWaalsContact O-CB 3.28Å; I221-K225 WeakPolarHBondContact O-CB 3.4Å; I221-K225 PolarHBondContact O-N 3Å; I221-L262 HydrophobicContact CD1-CD1 3.9Å; I221-L262 HydrophobicContact CD1-CD2 3.94Å; I221-L262 HydrophobicContact CD1-CG 4.46Å; I221-L262 HydrophobicContact CG1-CD1 4.37Å; I221-L264 HydrophobicContact CG2-CD1 4.08Å |
| 222 | A | 92.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P197 T220 K225 R226 G350 | P197-A222 HydrophobicContact CB-CB 3.98Å; P197-A222 WeakPolarHBondContact O-CB 3.39Å; P197-A222 PolarHBondContact O-N 3.08Å; T220-A222 PolarHBondContact O-N 3.29Å; A222-K225 PolarHBondContact O-N 3.24Å; A222-R226 WeakPolarHBondContact O-CB 3.34Å; A222-R226 PolarHBondContact O-N 3.01Å; A222-G350 VanDerWaalsContact CB-O 3.3Å; A222-G350 WeakPolarHBondContact CB-O 3.46Å |
| 223 | E | 95.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.5 | -52.6 | 173.4 | 169 | 169 | -157.9 | 0 | 0 | 109.9 | V219 T220 K225 R226 R227 V283 E284 | V219-E223 HydrophobicContact CG1-CB 4.44Å; V219-E223 HydrophobicContact CG1-CG 4.25Å; T220-E223 PolarHBondContact O-N 3.36Å; T220-E223 PolarHBondContact OG1-N 2.62Å; T220-E223 VanDerWaalsContact OG1-N 3.08Å; E223-K225 VanDerWaalsContact C-N 3.33Å; E223-K225 PolarHBondContact O-N 3.29Å; E223-R226 WeakPolarHBondContact O-CB 3.26Å; E223-R226 PolarHBondContact O-N 3.16Å; E223-R226 VanDerWaalsContact O-N 3.11Å; E223-R227 HydrophobicContact CG-CG 4.39Å; E223-R227 WeakPolarHBondContact O-CG 3.29Å; E223-R227 PolarHBondContact O-N 3.15Å; E223-R227 IonicContact OE1-NH1 3.93Å; E223-V283 WeakPolarHBondContact OE1-CA 3.41Å; E223-V283 WeakPolarHBondContact OE1-CB 3.5Å; E223-E284 WeakPolarHBondContact CB-OE1 3.36Å; E223-E284 HydrophobicContact CG-CG 4.35Å; E223-E284 VanDerWaalsContact CG-OE1 3.25Å; E223-E284 WeakPolarHBondContact CG-OE1 3.49Å; E223-E284 PolarHBondContact OE1-N 3.47Å |
| 224 | V | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.8 | -45 | -179 | 174 | 0 | 0 | 0 | 0 | 111.8 | F201 V219 T220 I221 R227 L228 L239 L243 L259 L264 | F201-V224 HydrophobicContact CB-CG2 4.02Å; F201-V224 HydrophobicContact CD1-CG2 4.3Å; F201-V224 HydrophobicContact CD2-CB 4.37Å; F201-V224 HydrophobicContact CD2-CG1 4.27Å; F201-V224 HydrophobicContact CD2-CG2 4.05Å; F201-V224 HydrophobicContact CE2-CG1 4.31Å; F201-V224 HydrophobicContact CG-CG2 3.84Å; V219-V224 HydrophobicContact CG1-CG2 3.66Å; T220-V224 WeakPolarHBondContact O-CG2 3.28Å; T220-V224 PolarHBondContact O-N 3.47Å; T220-V224 VanDerWaalsContact O-N 3.14Å; I221-V224 PolarHBondContact O-N 3.07Å; V224-R227 PolarHBondContact O-N 3.38Å; V224-L228 WeakPolarHBondContact O-CG 3.47Å; V224-L228 PolarHBondContact O-N 3.45Å; V224-L239 HydrophobicContact CG1-CD2 4.23Å; V224-L243 HydrophobicContact CG2-CD1 4.19Å; V224-L259 HydrophobicContact CG1-CD2 3.47Å; V224-L259 VanDerWaalsContact CG1-CD2 3.47Å; V224-L264 HydrophobicContact CG1-CD1 4.11Å |
| 225 | K | 92.1 | Very high | 92.4 | Very high | 127 Ų | 127 | 39.1 Ų | 39.1 | 55% | 0.552 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60.1 | -46.8 | 175.8 | -176.4 | 173.1 | -178.2 | 173.9 | 0 | 111.5 | I221 A222 E223 R227 L228 S229 L264 | I221-K225 VanDerWaalsContact O-CB 3.28Å; I221-K225 WeakPolarHBondContact O-CB 3.4Å; I221-K225 PolarHBondContact O-N 3Å; A222-K225 PolarHBondContact O-N 3.24Å; E223-K225 VanDerWaalsContact C-N 3.33Å; E223-K225 PolarHBondContact O-N 3.29Å; K225-R227 VanDerWaalsContact C-N 3.31Å; K225-R227 PolarHBondContact O-N 2.9Å; K225-L228 PolarHBondContact O-N 3.22Å; K225-S229 PolarHBondContact O-N 3.45Å; K225-S229 PolarHBondContact O-OG 3.23Å; K225-L264 HydrophobicContact CB-CD1 4.33Å; K225-L264 HydrophobicContact CB-CD2 3.99Å; K225-L264 HydrophobicContact CD-CD2 4Å; K225-L264 HydrophobicContact CG-CD2 3.84Å |
| 226 | R | 93.6 | Very high | 92.4 | Very high | 15 Ų | 15 | 37 Ų | 37 | 6% | 0.057 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.7 | -42.2 | 177.4 | -178.3 | -164.4 | 61.3 | 76.9 | -11.2 | 112.1 | A222 E223 L228 S229 E232 E284 L371 H374 | A222-R226 WeakPolarHBondContact O-CB 3.34Å; A222-R226 PolarHBondContact O-N 3.01Å; E223-R226 WeakPolarHBondContact O-CB 3.26Å; E223-R226 PolarHBondContact O-N 3.16Å; E223-R226 VanDerWaalsContact O-N 3.11Å; R226-L228 VanDerWaalsContact C-N 3.3Å; R226-L228 PolarHBondContact O-N 3.41Å; R226-S229 WeakPolarHBondContact CA-OG 3.48Å; R226-S229 PolarHBondContact O-N 3.23Å; R226-S229 PolarHBondContact O-OG 3.43Å; R226-E232 IonicContact CZ-OE2 3.38Å; R226-E232 IonicContact NH1-OE2 2.69Å; R226-E232 PolarHBondContact NH1-OE2 3.27Å; R226-E232 IonicContact NH2-OE2 3.92Å; R226-E284 IonicContact CZ-OE1 2.65Å; R226-E284 IonicContact NE-OE1 2.68Å; R226-E284 PolarHBondContact NE-OE1 2.86Å; R226-E284 IonicContact NH2-OE1 3.69Å; R226-E284 PolarHBondContact NH2-OE1 2.86Å; R226-L371 HydrophobicContact CG-CD2 3.93Å; R226-L371 PolarHBondContact NH1-O 3.09Å; R226-L371 VanDerWaalsContact NH1-O 3.17Å; R226-H374 PolarHBondContact NH2-ND1 3.4Å |
| 227 | R | 93.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.8 | -17.9 | -177.9 | -58.6 | -166.4 | 79.7 | 168.9 | -6.3 | 113.6 | E223 V224 K225 E232 L234 T280 L282 H374 | E223-R227 HydrophobicContact CG-CG 4.39Å; E223-R227 WeakPolarHBondContact O-CG 3.29Å; E223-R227 PolarHBondContact O-N 3.15Å; E223-R227 IonicContact OE1-NH1 3.93Å; V224-R227 PolarHBondContact O-N 3.38Å; K225-R227 VanDerWaalsContact C-N 3.31Å; K225-R227 PolarHBondContact O-N 2.9Å; R227-E232 WeakPolarHBondContact CG-OE2 3.2Å; R227-E232 IonicContact CZ-OE1 2.75Å; R227-E232 VanDerWaalsContact CZ-OE1 3.29Å; R227-E232 IonicContact CZ-OE2 3.92Å; R227-E232 IonicContact NE-OE1 3.29Å; R227-E232 PolarHBondContact NE-OE1 2.94Å; R227-E232 IonicContact NE-OE2 3.84Å; R227-E232 PolarHBondContact NE-OE2 3.44Å; R227-E232 VanDerWaalsContact NE-OE2 3.09Å; R227-E232 IonicContact NH2-OE1 3.67Å; R227-E232 PolarHBondContact NH2-OE1 2.92Å; R227-E232 IonicContact NH2-OE2 3.16Å; R227-L234 HydrophobicContact CB-CD1 4Å; R227-L234 HydrophobicContact CB-CG 4.29Å; R227-L234 WeakPolarHBondContact O-CB 3.44Å; R227-L234 WeakPolarHBondContact O-CG 3.49Å; R227-L234 PolarHBondContact O-N 2.66Å; R227-T280 PolarHBondContact NH2-O 3.38Å; R227-L282 PolarHBondContact NH1-O 2.81Å; R227-H374 PolarHBondContact NH2-NE2 3.14Å |
| 228 | L | 91.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -85.7 | -23.2 | 171.4 | -65.3 | -173 | 0 | 0 | 0 | 113.5 | V224 K225 R226 L234 L239 L259 L264 L266 R270 | V224-L228 WeakPolarHBondContact O-CG 3.47Å; V224-L228 PolarHBondContact O-N 3.45Å; K225-L228 PolarHBondContact O-N 3.22Å; R226-L228 VanDerWaalsContact C-N 3.3Å; R226-L228 PolarHBondContact O-N 3.41Å; L228-L234 WeakPolarHBondContact CD2-O 3.48Å; L228-L239 HydrophobicContact CD2-CD2 3.97Å; L228-L259 HydrophobicContact CD1-CD1 4.32Å; L228-L259 HydrophobicContact CD1-CD2 4.11Å; L228-L264 HydrophobicContact CD1-CB 4.37Å; L228-L266 HydrophobicContact CD1-CB 4.33Å; L228-L266 HydrophobicContact CD1-CD2 4.48Å; L228-L266 HydrophobicContact CD2-CD1 3.83Å; L228-L266 HydrophobicContact CD2-CD2 3.86Å; L228-L266 HydrophobicContact CD2-CG 4.33Å; L228-R270 PolarHBondContact O-NH1 3.23Å |
| 229 | S | 90.8 | Very high | 91.8 | Very high | 48 Ų | 48 | 27.6 Ų | 27.6 | 34% | 0.336 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -84.1 | 172.7 | 169.3 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | K225 R226 E232 C233 | K225-S229 PolarHBondContact O-N 3.45Å; K225-S229 PolarHBondContact O-OG 3.23Å; R226-S229 WeakPolarHBondContact CA-OG 3.48Å; R226-S229 PolarHBondContact O-N 3.23Å; R226-S229 PolarHBondContact O-OG 3.43Å; S229-E232 PolarHBondContact O-N 3.28Å; S229-C233 PolarHBondContact O-N 3.08Å |
| 230 | P | 90.5 | Very high | 91.6 | Very high | 94 Ų | 94 | 27.8 Ų | 27.8 | 61% | 0.61 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 152.2 | 164.4 | -25.7 | 35.8 | 0 | 0 | 0 | 111.9 | C233 | P230-C233 VanDerWaalsContact N-SG 3.41Š|
| 231 | P | 91.9 | Very high | 91.4 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -81.4 | -18.4 | 3.3 | 30.8 | -34.9 | 0 | 0 | 0 | 115.2 | A273 A274 H368 L371 I372 | P231-A273 WeakPolarHBondContact O-CB 3.45Å; P231-A274 PolarHBondContact O-N 2.93Å; P231-H368 WeakPolarHBondContact CB-NE2 3.46Å; P231-L371 HydrophobicContact CG-CB 4.21Å; P231-I372 HydrophobicContact CG-CB 4.47Å; P231-I372 HydrophobicContact CG-CD1 4.34Å |
| 232 | E | 91.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -45.6 | -171.7 | -70.8 | -178.1 | 74.4 | 0 | 0 | 113.5 | R226 R227 S229 L234 A273 A274 I372 H374 | R226-E232 IonicContact CZ-OE2 3.38Å; R226-E232 IonicContact NH1-OE2 2.69Å; R226-E232 PolarHBondContact NH1-OE2 3.27Å; R226-E232 IonicContact NH2-OE2 3.92Å; R227-E232 WeakPolarHBondContact CG-OE2 3.2Å; R227-E232 IonicContact CZ-OE1 2.75Å; R227-E232 VanDerWaalsContact CZ-OE1 3.29Å; R227-E232 IonicContact CZ-OE2 3.92Å; R227-E232 IonicContact NE-OE1 3.29Å; R227-E232 PolarHBondContact NE-OE1 2.94Å; R227-E232 IonicContact NE-OE2 3.84Å; R227-E232 PolarHBondContact NE-OE2 3.44Å; R227-E232 VanDerWaalsContact NE-OE2 3.09Å; R227-E232 IonicContact NH2-OE1 3.67Å; R227-E232 PolarHBondContact NH2-OE1 2.92Å; R227-E232 IonicContact NH2-OE2 3.16Å; S229-E232 PolarHBondContact O-N 3.28Å; E232-L234 VanDerWaalsContact C-N 3.3Å; E232-L234 HydrophobicContact CB-CD2 3.93Å; E232-L234 HydrophobicContact CB-CG 3.93Å; E232-L234 PolarHBondContact O-N 3.33Å; E232-A273 PolarHBondContact O-N 2.85Å; E232-A273 VanDerWaalsContact O-N 3.1Å; E232-A274 PolarHBondContact O-N 3.12Å; E232-I372 HydrophobicContact CG-CD1 3.73Å; E232-H374 IonicContact OE1-CE1 2.8Å; E232-H374 IonicContact OE2-CE1 2.97Å; E232-H374 PolarHBondContact OE2-CE1 3.03Å; E232-H374 IonicContact OE2-ND1 2.66Å |
| 233 | C | 91.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 28.2 Ų | 28.2 | 15% | 0.149 | 17% | 0.17 | C | C | . | . | trans | 47.1 | 48.3 | -171.2 | -65.8 | 0 | 0 | 0 | 0 | 113.1 | S229 P230 A273 | S229-C233 PolarHBondContact O-N 3.08Å; P230-C233 VanDerWaalsContact N-SG 3.41Å; C233-A273 HydrophobicContact CB-CB 3.69Å | ||
| 234 | L | 91.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | trans | -58.4 | 145.2 | -174.1 | -64.7 | -168.7 | 0 | 0 | 0 | 112.8 | R227 L228 E232 L238 I242 T280 | R227-L234 HydrophobicContact CB-CD1 4Å; R227-L234 HydrophobicContact CB-CG 4.29Å; R227-L234 WeakPolarHBondContact O-CB 3.44Å; R227-L234 WeakPolarHBondContact O-CG 3.49Å; R227-L234 PolarHBondContact O-N 2.66Å; L228-L234 WeakPolarHBondContact CD2-O 3.48Å; E232-L234 VanDerWaalsContact C-N 3.3Å; E232-L234 HydrophobicContact CB-CD2 3.93Å; E232-L234 HydrophobicContact CB-CG 3.93Å; E232-L234 PolarHBondContact O-N 3.33Å; L234-L238 HydrophobicContact CD2-CB 4.31Å; L234-L238 HydrophobicContact CD2-CD1 4.08Å; L234-I242 HydrophobicContact CD1-CD1 3.41Å; L234-I242 VanDerWaalsContact CD1-CD1 3.41Å; L234-T280 HydrophobicContact CD2-CG2 4.35Å | ||
| 235 | N | 88.5 | Confident | 90.4 | Very high | 42 Ų | 42 | 36.4 Ų | 36.4 | 23% | 0.225 | 20% | 0.201 | C | C | . | . | trans | -87.8 | 165.7 | 168.5 | 70.7 | 39.7 | 0 | 0 | 0 | 111.4 | S237 L238 L239 R270 | N235-S237 PolarHBondContact O-N 2.86Å; N235-S237 WeakPolarHBondContact OD1-CB 3.34Å; N235-S237 PolarHBondContact OD1-N 3.39Å; N235-S237 VanDerWaalsContact OD1-N 3.11Å; N235-L238 PolarHBondContact O-N 2.73Å; N235-L238 PolarHBondContact OD1-N 2.98Å; N235-L239 WeakPolarHBondContact O-CB 3.47Å; N235-L239 PolarHBondContact O-N 3.22Å; N235-R270 WeakPolarHBondContact CB-O 3.43Å | ||
| 236 | A | 87.3 | Confident | 89.6 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -28.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G240 L266 | A236-G240 WeakPolarHBondContact O-CA 3.5Å; A236-G240 PolarHBondContact O-N 3.26Å; A236-L266 HydrophobicContact CB-CD2 3.71Å; A236-L266 HydrophobicContact CB-CG 4.27Å |
| 237 | S | 86 | Confident | 88.7 | Confident | 93 Ų | 93 | 43.1 Ų | 43.1 | 65% | 0.65 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -73.6 | -45.2 | 179.4 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | N235 G240 G241 | N235-S237 PolarHBondContact O-N 2.86Å; N235-S237 WeakPolarHBondContact OD1-CB 3.34Å; N235-S237 PolarHBondContact OD1-N 3.39Å; N235-S237 VanDerWaalsContact OD1-N 3.11Å; S237-G240 PolarHBondContact O-N 3.33Å; S237-G241 PolarHBondContact O-N 3.43Å |
| 238 | L | 90.3 | Very high | 87.8 | Confident | 49 Ų | 49 | 46.2 Ų | 46.2 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 174.6 | -69.2 | 171.8 | 0 | 0 | 0 | 110.8 | L234 N235 G240 G241 I242 K272 V276 | L234-L238 HydrophobicContact CD2-CB 4.31Å; L234-L238 HydrophobicContact CD2-CD1 4.08Å; N235-L238 PolarHBondContact O-N 2.73Å; N235-L238 PolarHBondContact OD1-N 2.98Å; L238-G240 VanDerWaalsContact C-N 3.33Å; L238-G240 PolarHBondContact O-N 3.43Å; L238-G241 PolarHBondContact O-N 3.05Å; L238-G241 VanDerWaalsContact O-N 3.08Å; L238-I242 WeakPolarHBondContact O-CD1 3.48Å; L238-I242 WeakPolarHBondContact O-CG1 3.49Å; L238-I242 PolarHBondContact O-N 2.94Å; L238-K272 HydrophobicContact CD1-CB 4.41Å; L238-V276 HydrophobicContact CD1-CG2 4.17Å; L238-V276 HydrophobicContact CD2-CG2 4.38Å |
| 239 | L | 91.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 177.4 | -174.4 | 65.5 | 0 | 0 | 0 | 111.9 | V224 L228 N235 G241 L243 L255 L259 L266 | V224-L239 HydrophobicContact CG1-CD2 4.23Å; L228-L239 HydrophobicContact CD2-CD2 3.97Å; N235-L239 WeakPolarHBondContact O-CB 3.47Å; N235-L239 PolarHBondContact O-N 3.22Å; L239-G241 VanDerWaalsContact C-N 3.32Å; L239-G241 PolarHBondContact O-N 3.1Å; L239-L243 HydrophobicContact CD1-CD1 3.7Å; L239-L243 HydrophobicContact CD1-CG 4.12Å; L239-L243 HydrophobicContact CG-CD1 3.89Å; L239-L243 HydrophobicContact CG-CG 4.47Å; L239-L243 WeakPolarHBondContact O-CB 3.46Å; L239-L243 VanDerWaalsContact O-CG 3.24Å; L239-L243 WeakPolarHBondContact O-CG 3.42Å; L239-L243 PolarHBondContact O-N 2.98Å; L239-L255 HydrophobicContact CB-CD2 4.44Å; L239-L255 HydrophobicContact CD2-CD2 4.34Å; L239-L255 HydrophobicContact CG-CD2 4.35Å; L239-L259 HydrophobicContact CD2-CD1 4.2Å; L239-L266 HydrophobicContact CD2-CD2 4.27Å |
| 240 | G | 91.3 | Very high | 86.9 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -33.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A236 S237 L238 R244 R245 A246 | A236-G240 WeakPolarHBondContact O-CA 3.5Å; A236-G240 PolarHBondContact O-N 3.26Å; S237-G240 PolarHBondContact O-N 3.33Å; L238-G240 VanDerWaalsContact C-N 3.33Å; L238-G240 PolarHBondContact O-N 3.43Å; G240-R244 PolarHBondContact O-N 3.43Å; G240-R245 PolarHBondContact O-N 2.92Å; G240-A246 PolarHBondContact O-N 2.97Å |
| 241 | G | 91.4 | Very high | 86.5 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.1 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S237 L238 L239 R244 | S237-G241 PolarHBondContact O-N 3.43Å; L238-G241 PolarHBondContact O-N 3.05Å; L238-G241 VanDerWaalsContact O-N 3.08Å; L239-G241 VanDerWaalsContact C-N 3.32Å; L239-G241 PolarHBondContact O-N 3.1Å; G241-R244 PolarHBondContact O-N 3.1Å |
| 242 | I | 93.3 | Very high | 86.1 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.1 | -52.3 | 173.9 | -67.3 | 154.1 | 0 | 0 | 0 | 109.8 | L234 L238 R244 T280 V283 | L234-I242 HydrophobicContact CD1-CD1 3.41Å; L234-I242 VanDerWaalsContact CD1-CD1 3.41Å; L238-I242 WeakPolarHBondContact O-CD1 3.48Å; L238-I242 WeakPolarHBondContact O-CG1 3.49Å; L238-I242 PolarHBondContact O-N 2.94Å; I242-R244 PolarHBondContact O-N 3.34Å; I242-T280 WeakPolarHBondContact CD1-O 3.35Å; I242-T280 WeakPolarHBondContact CG1-O 3.36Å; I242-V283 HydrophobicContact CG2-CG1 3.73Å |
| 243 | L | 92.5 | Very high | 85.8 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 18.4 | -178.2 | -53.3 | -179.4 | 0 | 0 | 0 | 113.5 | F201 V204 V219 V224 L239 R245 V283 | F201-L243 HydrophobicContact CD1-CD1 4.5Å; F201-L243 HydrophobicContact CE1-CD1 4.49Å; V204-L243 HydrophobicContact CG2-CB 4.47Å; V204-L243 HydrophobicContact CG2-CD2 3.92Å; V219-L243 HydrophobicContact CB-CD2 4.17Å; V219-L243 HydrophobicContact CG1-CD2 3.75Å; V219-L243 HydrophobicContact CG2-CD2 3.74Å; V224-L243 HydrophobicContact CG2-CD1 4.19Å; L239-L243 HydrophobicContact CD1-CD1 3.7Å; L239-L243 HydrophobicContact CD1-CG 4.12Å; L239-L243 HydrophobicContact CG-CD1 3.89Å; L239-L243 HydrophobicContact CG-CG 4.47Å; L239-L243 WeakPolarHBondContact O-CB 3.46Å; L239-L243 VanDerWaalsContact O-CG 3.24Å; L239-L243 WeakPolarHBondContact O-CG 3.42Å; L239-L243 PolarHBondContact O-N 2.98Å; L243-R245 PolarHBondContact O-N 2.78Å; L243-R245 PolarHBondContact O-NH1 3.05Å; L243-V283 HydrophobicContact CD2-CG1 4.27Å |
| 244 | R | 88.3 | Confident | 85.6 | Confident | 109 Ų | 109 | 63 Ų | 63 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 18.1 | 173 | -52.6 | -58.8 | -164.7 | 162 | 11.7 | 116.7 | V204 R207 G240 G241 I242 | V204-R244 HydrophobicContact CG1-CB 4.44Å; V204-R244 HydrophobicContact CG1-CG 3.6Å; R207-R244 VanDerWaalsContact CB-NH2 3.28Å; G240-R244 PolarHBondContact O-N 3.43Å; G241-R244 PolarHBondContact O-N 3.1Å; I242-R244 PolarHBondContact O-N 3.34Å |
| 245 | R | 80.1 | Confident | 85.5 | Confident | 69 Ų | 69 | 63 Ų | 63 | 26% | 0.26 | 34% | 0.339 | S | S | . | . | trans | -97.6 | 1 | 179.3 | -72.5 | -174.7 | -60 | -80.3 | -2.9 | 114.7 | C202 G240 L243 K247 S248 | C202-R245 PolarHBondContact SG-NH1 3.12Å; G240-R245 PolarHBondContact O-N 2.92Å; L243-R245 PolarHBondContact O-N 2.78Å; L243-R245 PolarHBondContact O-NH1 3.05Å; R245-K247 PolarHBondContact O-N 3.41Å; R245-K247 VanDerWaalsContact O-N 3.13Å; R245-S248 PolarHBondContact O-OG 3.33Å | ||
| 246 | A | 75.3 | Confident | 85.6 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G240 | G240-A246 PolarHBondContact O-N 2.97Š|
| 247 | K | 73.4 | Confident | 85.7 | Confident | 212 Ų | 212 | 68.2 Ų | 68.2 | 92% | 0.922 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -11.3 | -177 | -69 | -168.6 | 175.7 | -171.7 | 0 | 115.2 | R245 | R245-K247 PolarHBondContact O-N 3.41Å; R245-K247 VanDerWaalsContact O-N 3.13Å |
| 248 | S | 75.8 | Confident | 86 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -87.9 | 140 | -177.7 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | R245 N250 G251 | R245-S248 PolarHBondContact O-OG 3.33Å; S248-N250 PolarHBondContact O-N 3.31Å; S248-G251 PolarHBondContact O-N 3.42Å; S248-G251 WeakPolarHBondContact OG-CA 3.23Å |
| 249 | K | 80.6 | Confident | 86 | Confident | 195 Ų | 195 | 65.4 Ų | 65.4 | 85% | 0.848 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 134.3 | 165.6 | -170.3 | 176.7 | -178.1 | -179.5 | 0 | 108.5 | G251 | K249-G251 PolarHBondContact O-N 2.92Å; K249-G251 VanDerWaalsContact O-N 3.14Å |
| 250 | N | 82.8 | Confident | 86 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 6.8 | -173.2 | -53.8 | -32.5 | 0 | 0 | 0 | 116.7 | S248 G252 R253 C254 | S248-N250 PolarHBondContact O-N 3.31Å; N250-G252 VanDerWaalsContact C-N 3.29Å; N250-G252 PolarHBondContact O-N 3.25Å; N250-R253 WeakPolarHBondContact O-CA 3.29Å; N250-R253 WeakPolarHBondContact O-CB 3.38Å; N250-R253 PolarHBondContact O-N 3.19Å; N250-C254 PolarHBondContact O-N 2.97Å |
| 251 | G | 81.6 | Confident | 86 | Confident | 11 Ų | 11 | 77.2 Ų | 77.2 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.2 | -37.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S248 K249 R253 L255 | S248-G251 PolarHBondContact O-N 3.42Å; S248-G251 WeakPolarHBondContact OG-CA 3.23Å; K249-G251 PolarHBondContact O-N 2.92Å; K249-G251 VanDerWaalsContact O-N 3.14Å; G251-R253 VanDerWaalsContact C-N 3.31Å; G251-R253 PolarHBondContact O-N 3.36Å; G251-L255 VanDerWaalsContact O-CB 3.31Å; G251-L255 WeakPolarHBondContact O-CB 3.21Å; G251-L255 PolarHBondContact O-N 3.48Å |
| 252 | G | 83.4 | Confident | 85.9 | Confident | 41 Ų | 41 | 77.9 Ų | 77.9 | 42% | 0.423 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74.1 | -11.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N250 R256 | N250-G252 VanDerWaalsContact C-N 3.29Å; N250-G252 PolarHBondContact O-N 3.25Å; G252-R256 PolarHBondContact O-NE 3.1Å |
| 253 | R | 86.3 | Confident | 85.7 | Confident | 155 Ų | 155 | 80.7 Ų | 80.7 | 59% | 0.585 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -89.5 | -53.1 | 171.9 | -166.5 | -163.8 | -71.4 | 174.2 | -4 | 110.1 | N250 G251 L255 R256 E257 | N250-R253 WeakPolarHBondContact O-CA 3.29Å; N250-R253 WeakPolarHBondContact O-CB 3.38Å; N250-R253 PolarHBondContact O-N 3.19Å; G251-R253 VanDerWaalsContact C-N 3.31Å; G251-R253 PolarHBondContact O-N 3.36Å; R253-L255 PolarHBondContact O-N 2.9Å; R253-R256 WeakPolarHBondContact O-CA 3.25Å; R253-R256 WeakPolarHBondContact O-CB 3.39Å; R253-R256 PolarHBondContact O-N 3.14Å; R253-E257 WeakPolarHBondContact CD-OE1 3.27Å; R253-E257 VanDerWaalsContact CG-OE1 3.23Å; R253-E257 WeakPolarHBondContact CG-OE1 3.28Å; R253-E257 PolarHBondContact O-N 3.05Å |
| 254 | C | 87.4 | Confident | 85.5 | Confident | 52 Ų | 52 | 81.2 Ų | 81.2 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -54.1 | -35.7 | 173.7 | 172.7 | 0 | 0 | 0 | 0 | 112.3 | N250 K258 | N250-C254 PolarHBondContact O-N 2.97Å; C254-K258 WeakPolarHBondContact O-CB 3.38Å; C254-K258 PolarHBondContact O-N 3.34Å |
| 255 | L | 89.2 | Confident | 85.3 | Confident | 4 Ų | 4 | 81.6 Ų | 81.6 | 2% | 0.021 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 172.7 | -177.9 | 54.5 | 0 | 0 | 0 | 112.9 | F201 L239 G251 R253 L259 | F201-L255 HydrophobicContact CE1-CD1 4.26Å; F201-L255 HydrophobicContact CZ-CD1 3.98Å; L239-L255 HydrophobicContact CB-CD2 4.44Å; L239-L255 HydrophobicContact CD2-CD2 4.34Å; L239-L255 HydrophobicContact CG-CD2 4.35Å; G251-L255 VanDerWaalsContact O-CB 3.31Å; G251-L255 WeakPolarHBondContact O-CB 3.21Å; G251-L255 PolarHBondContact O-N 3.48Å; R253-L255 PolarHBondContact O-N 2.9Å; L255-L259 HydrophobicContact CD1-CD1 4.11Å; L255-L259 HydrophobicContact CD1-CG 4.32Å; L255-L259 HydrophobicContact CG-CD1 4.02Å; L255-L259 WeakPolarHBondContact O-CB 3.48Å; L255-L259 WeakPolarHBondContact O-CD1 3.37Å; L255-L259 WeakPolarHBondContact O-CG 3.16Å; L255-L259 PolarHBondContact O-N 2.93Å |
| 256 | R | 89.7 | Confident | 85.4 | Confident | 72 Ų | 72 | 78.5 Ų | 78.5 | 27% | 0.272 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.2 | -50.8 | 177.2 | -64.1 | 175.7 | -156.8 | -95.9 | 6.7 | 110.4 | G252 R253 K258 L259 D260 L266 P267 | G252-R256 PolarHBondContact O-NE 3.1Å; R253-R256 WeakPolarHBondContact O-CA 3.25Å; R253-R256 WeakPolarHBondContact O-CB 3.39Å; R253-R256 PolarHBondContact O-N 3.14Å; R256-K258 PolarHBondContact O-N 3.42Å; R256-K258 VanDerWaalsContact O-N 3.08Å; R256-L259 CarbonylContact O-C 3.52Å; R256-L259 WeakPolarHBondContact O-CA 3.33Å; R256-L259 WeakPolarHBondContact O-CB 3.4Å; R256-L259 PolarHBondContact O-N 3.49Å; R256-D260 VanDerWaalsContact C-OD2 3.25Å; R256-D260 PolarHBondContact O-N 3.47Å; R256-L266 PolarHBondContact NH1-O 3.31Å; R256-P267 VanDerWaalsContact NH1-C 3.32Å; R256-P267 PolarHBondContact NH1-O 3.11Å |
| 257 | E | 90.6 | Very high | 85.5 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 39% | 0.393 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -52.6 | -37.3 | 176.6 | -66 | 167.6 | -154.5 | 0 | 0 | 112.9 | R253 R261 | R253-E257 WeakPolarHBondContact CD-OE1 3.27Å; R253-E257 VanDerWaalsContact CG-OE1 3.23Å; R253-E257 WeakPolarHBondContact CG-OE1 3.28Å; R253-E257 PolarHBondContact O-N 3.05Å; E257-R261 WeakPolarHBondContact O-CB 3.47Å; E257-R261 WeakPolarHBondContact O-CD 3.44Å; E257-R261 WeakPolarHBondContact O-CG 3.47Å; E257-R261 PolarHBondContact O-N 3.42Å |
| 258 | K | 90.7 | Very high | 85.7 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 36% | 0.357 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -73.5 | -35.8 | 173.9 | 179.6 | 166 | 173 | 165.6 | 0 | 113.2 | F201 C254 R256 L262 | F201-K258 HydrophobicContact CE1-CD 3.96Å; F201-K258 HydrophobicContact CE1-CG 4.49Å; F201-K258 HydrophobicContact CE2-CD 4.26Å; F201-K258 HydrophobicContact CE2-CG 4.03Å; F201-K258 HydrophobicContact CZ-CB 4.41Å; F201-K258 HydrophobicContact CZ-CD 3.69Å; F201-K258 HydrophobicContact CZ-CG 3.73Å; F201-K258 PolarHBondContact O-NZ 2.68Å; C254-K258 WeakPolarHBondContact O-CB 3.38Å; C254-K258 PolarHBondContact O-N 3.34Å; R256-K258 PolarHBondContact O-N 3.42Å; R256-K258 VanDerWaalsContact O-N 3.08Å; K258-L262 HydrophobicContact CG-CD1 4.39Å; K258-L262 WeakPolarHBondContact O-CD1 3.26Å; K258-L262 VanDerWaalsContact O-CG 3.3Å; K258-L262 WeakPolarHBondContact O-CG 3.31Å |
| 259 | L | 91.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.5 | -43 | 175.7 | -72.2 | 165.7 | 0 | 0 | 0 | 111.6 | F201 V224 L228 L239 L255 R256 R261 L262 G263 L264 L266 | F201-L259 HydrophobicContact CE2-CD2 3.76Å; F201-L259 HydrophobicContact CE2-CG 4.35Å; F201-L259 HydrophobicContact CZ-CD2 4.2Å; F201-L259 HydrophobicContact CZ-CG 4.42Å; V224-L259 HydrophobicContact CG1-CD2 3.47Å; V224-L259 VanDerWaalsContact CG1-CD2 3.47Å; L228-L259 HydrophobicContact CD1-CD1 4.32Å; L228-L259 HydrophobicContact CD1-CD2 4.11Å; L239-L259 HydrophobicContact CD2-CD1 4.2Å; L255-L259 HydrophobicContact CD1-CD1 4.11Å; L255-L259 HydrophobicContact CD1-CG 4.32Å; L255-L259 HydrophobicContact CG-CD1 4.02Å; L255-L259 WeakPolarHBondContact O-CB 3.48Å; L255-L259 WeakPolarHBondContact O-CD1 3.37Å; L255-L259 WeakPolarHBondContact O-CG 3.16Å; L255-L259 PolarHBondContact O-N 2.93Å; R256-L259 CarbonylContact O-C 3.52Å; R256-L259 WeakPolarHBondContact O-CA 3.33Å; R256-L259 WeakPolarHBondContact O-CB 3.4Å; R256-L259 PolarHBondContact O-N 3.49Å; L259-R261 PolarHBondContact O-N 3.42Å; L259-L262 CarbonylContact O-C 3.52Å; L259-L262 WeakPolarHBondContact O-CA 3.46Å; L259-L262 WeakPolarHBondContact O-CB 3.39Å; L259-L262 PolarHBondContact O-N 3.43Å; L259-G263 PolarHBondContact O-N 2.99Å; L259-L264 HydrophobicContact CB-CB 4.15Å; L259-L264 WeakPolarHBondContact CB-O 3.44Å; L259-L264 HydrophobicContact CD2-CB 3.99Å; L259-L264 HydrophobicContact CD2-CD1 3.9Å; L259-L264 PolarHBondContact O-N 3.09Å; L259-L266 HydrophobicContact CD1-CB 3.96Å; L259-L266 HydrophobicContact CD1-CD2 3.55Å; L259-L266 HydrophobicContact CD1-CG 4.42Å |
| 260 | D | 90.6 | Very high | 85.3 | Confident | 87 Ų | 87 | 66.8 Ų | 66.8 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 179.1 | -59.5 | -39.2 | 0 | 0 | 0 | 111.1 | R256 L262 G263 | R256-D260 VanDerWaalsContact C-OD2 3.25Å; R256-D260 PolarHBondContact O-N 3.47Å; D260-L262 PolarHBondContact O-N 3.19Å; D260-L262 VanDerWaalsContact O-N 3.11Å; D260-G263 PolarHBondContact O-N 2.98Å |
| 261 | R | 91.1 | Very high | 84.8 | Confident | 167 Ų | 167 | 73 Ų | 73 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -17.4 | 170.9 | -73.7 | 172.1 | -162 | -152.4 | 7.9 | 114.3 | E257 L259 | E257-R261 WeakPolarHBondContact O-CB 3.47Å; E257-R261 WeakPolarHBondContact O-CD 3.44Å; E257-R261 WeakPolarHBondContact O-CG 3.47Å; E257-R261 PolarHBondContact O-N 3.42Å; L259-R261 PolarHBondContact O-N 3.42Å |
| 262 | L | 90 | Very high | 84.5 | Confident | 43 Ų | 43 | 77.2 Ų | 77.2 | 23% | 0.225 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 8.8 | 177.3 | -61.5 | 170.7 | 0 | 0 | 0 | 112.6 | V195 F201 I221 K258 L259 D260 L264 | V195-L262 HydrophobicContact CG1-CD2 4.03Å; V195-L262 HydrophobicContact CG2-CB 4.36Å; V195-L262 HydrophobicContact CG2-CD2 3.78Å; F201-L262 HydrophobicContact CD2-CD1 3.73Å; F201-L262 HydrophobicContact CE2-CD1 3.67Å; I221-L262 HydrophobicContact CD1-CD1 3.9Å; I221-L262 HydrophobicContact CD1-CD2 3.94Å; I221-L262 HydrophobicContact CD1-CG 4.46Å; I221-L262 HydrophobicContact CG1-CD1 4.37Å; K258-L262 HydrophobicContact CG-CD1 4.39Å; K258-L262 WeakPolarHBondContact O-CD1 3.26Å; K258-L262 VanDerWaalsContact O-CG 3.3Å; K258-L262 WeakPolarHBondContact O-CG 3.31Å; L259-L262 CarbonylContact O-C 3.52Å; L259-L262 WeakPolarHBondContact O-CA 3.46Å; L259-L262 WeakPolarHBondContact O-CB 3.39Å; L259-L262 PolarHBondContact O-N 3.43Å; D260-L262 PolarHBondContact O-N 3.19Å; D260-L262 VanDerWaalsContact O-N 3.11Å; L262-L264 VanDerWaalsContact C-N 3.32Å; L262-L264 HydrophobicContact CB-CG 4.49Å; L262-L264 PolarHBondContact O-N 3.16Å |
| 263 | G | 88.6 | Confident | 84 | Confident | 70 Ų | 70 | 78.7 Ų | 78.7 | 72% | 0.722 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 18.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L259 D260 | L259-G263 PolarHBondContact O-N 2.99Å; D260-G263 PolarHBondContact O-N 2.98Å |
| 264 | L | 88.9 | Confident | 83.6 | Confident | 18 Ų | 18 | 72.4 Ų | 72.4 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | trans | -104.4 | 89.1 | -177.5 | -61.9 | -176.2 | 0 | 0 | 0 | 111.5 | I221 V224 K225 L228 L259 L262 L266 | I221-L264 HydrophobicContact CG2-CD1 4.08Å; V224-L264 HydrophobicContact CG1-CD1 4.11Å; K225-L264 HydrophobicContact CB-CD1 4.33Å; K225-L264 HydrophobicContact CB-CD2 3.99Å; K225-L264 HydrophobicContact CD-CD2 4Å; K225-L264 HydrophobicContact CG-CD2 3.84Å; L228-L264 HydrophobicContact CD1-CB 4.37Å; L259-L264 HydrophobicContact CB-CB 4.15Å; L259-L264 WeakPolarHBondContact CB-O 3.44Å; L259-L264 HydrophobicContact CD2-CB 3.99Å; L259-L264 HydrophobicContact CD2-CD1 3.9Å; L259-L264 PolarHBondContact O-N 3.09Å; L262-L264 VanDerWaalsContact C-N 3.32Å; L262-L264 HydrophobicContact CB-CG 4.49Å; L262-L264 PolarHBondContact O-N 3.16Å; L264-L266 PolarHBondContact O-N 3.46Å | ||
| 265 | N | 83.4 | Confident | 83.6 | Confident | 117 Ų | 117 | 76.3 Ų | 76.3 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | trans | -64.3 | 121.7 | 179.5 | -176.8 | -8.6 | 0 | 0 | 0 | 112.4 | P267 | N265-P267 WeakPolarHBondContact OD1-CD 3.47Š| ||
| 266 | L | 83.4 | Confident | 83.5 | Confident | 4 Ų | 4 | 79.6 Ų | 79.6 | 2% | 0.021 | 44% | 0.437 | C | S | . | . | trans | -124.1 | 88.6 | 172.5 | -178.1 | 48 | 0 | 0 | 0 | 111.3 | L228 A236 L239 R256 L259 L264 | L228-L266 HydrophobicContact CD1-CB 4.33Å; L228-L266 HydrophobicContact CD1-CD2 4.48Å; L228-L266 HydrophobicContact CD2-CD1 3.83Å; L228-L266 HydrophobicContact CD2-CD2 3.86Å; L228-L266 HydrophobicContact CD2-CG 4.33Å; A236-L266 HydrophobicContact CB-CD2 3.71Å; A236-L266 HydrophobicContact CB-CG 4.27Å; L239-L266 HydrophobicContact CD2-CD2 4.27Å; R256-L266 PolarHBondContact NH1-O 3.31Å; L259-L266 HydrophobicContact CD1-CB 3.96Å; L259-L266 HydrophobicContact CD1-CD2 3.55Å; L259-L266 HydrophobicContact CD1-CG 4.42Å; L264-L266 PolarHBondContact O-N 3.46Å | ||
| 267 | P | 77 | Confident | 83.6 | Confident | 54 Ų | 54 | 79.4 Ų | 79.4 | 35% | 0.351 | 45% | 0.445 | S | S | . | . | trans | -66.5 | 157.8 | -173.5 | 24.7 | -31.6 | 0 | 0 | 0 | 113 | R256 N265 R270 | R256-P267 VanDerWaalsContact NH1-C 3.32Å; R256-P267 PolarHBondContact NH1-O 3.11Å; N265-P267 WeakPolarHBondContact OD1-CD 3.47Å; P267-R270 HydrophobicContact CG-CB 4.39Å | ||
| 268 | A | 76.8 | Confident | 83.8 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 68% | 0.678 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 156.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R270 | A268-R270 PolarHBondContact O-N 3.18Š|
| 269 | G | 70.8 | Confident | 84 | Confident | 78 Ų | 78 | 80.9 Ų | 80.9 | 80% | 0.804 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | -7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | R271 | G269-R271 PolarHBondContact O-N 2.78Å; G269-R271 VanDerWaalsContact O-N 3.13Å |
| 270 | R | 77.5 | Confident | 84.1 | Confident | 85 Ų | 85 | 81.1 Ų | 81.1 | 32% | 0.321 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 119.5 | 178.6 | 178.4 | 175.6 | -74.9 | -167.7 | 0.4 | 111.4 | L228 N235 P267 A268 | L228-R270 PolarHBondContact O-NH1 3.23Å; N235-R270 WeakPolarHBondContact CB-O 3.43Å; P267-R270 HydrophobicContact CG-CB 4.39Å; A268-R270 PolarHBondContact O-N 3.18Å |
| 271 | R | 71.6 | Confident | 84.3 | Confident | 228 Ų | 228 | 78.4 Ų | 78.4 | 86% | 0.86 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 147 | 169.8 | -61.5 | -178.3 | -178.7 | -176.6 | 0.5 | 109.6 | G269 | G269-R271 PolarHBondContact O-N 2.78Å; G269-R271 VanDerWaalsContact O-N 3.13Å |
| 272 | K | 74.9 | Confident | 84.5 | Confident | 99 Ų | 99 | 70.7 Ų | 70.7 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 151.6 | 170.1 | 65.9 | 178.5 | -169.8 | 172.3 | 0 | 109.9 | L238 A274 V276 | L238-K272 HydrophobicContact CD1-CB 4.41Å; K272-A274 WeakPolarHBondContact CD-O 3.48Å; K272-V276 HydrophobicContact CD-CG2 3.96Å |
| 273 | A | 74.3 | Confident | 84.7 | Confident | 72 Ų | 72 | 68.9 Ų | 68.9 | 60% | 0.595 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -97.2 | -41.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P231 E232 C233 | P231-A273 WeakPolarHBondContact O-CB 3.45Å; E232-A273 PolarHBondContact O-N 2.85Å; E232-A273 VanDerWaalsContact O-N 3.1Å; C233-A273 HydrophobicContact CB-CB 3.69Å |
| 274 | A | 78.3 | Confident | 85.1 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -89 | 160.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P231 E232 K272 I372 | P231-A274 PolarHBondContact O-N 2.93Å; E232-A274 PolarHBondContact O-N 3.12Å; K272-A274 WeakPolarHBondContact CD-O 3.48Å; A274-I372 HydrophobicContact CB-CD1 3.77Å |
| 275 | N | 85.6 | Confident | 85.3 | Confident | 135 Ų | 135 | 66 Ų | 66 | 72% | 0.722 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 144.9 | 161.4 | -78.2 | -29.8 | 0 | 0 | 0 | 110.5 | ||
| 276 | V | 88.4 | Confident | 85.9 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 44% | 0.436 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 122.5 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 107.4 | L238 K272 T280 | L238-V276 HydrophobicContact CD1-CG2 4.17Å; L238-V276 HydrophobicContact CD2-CG2 4.38Å; K272-V276 HydrophobicContact CD-CG2 3.96Å; V276-T280 HydrophobicContact CG1-CG2 4.21Å |
| 277 | T | 92.4 | Very high | 86.5 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | trans | -114.9 | 177.3 | 178.3 | 68.7 | 0 | 0 | 0 | 0 | 110.3 | L279 T280 | T277-L279 PolarHBondContact O-N 3.46Å; T277-L279 PolarHBondContact OG1-N 3.15Å; T277-T280 PolarHBondContact N-OG1 2.84Å; T277-T280 WeakPolarHBondContact O-CB 3.35Å; T277-T280 PolarHBondContact O-N 3.26Å; T277-T280 PolarHBondContact O-OG1 2.78Å; T277-T280 PolarHBondContact OG1-N 3.45Å; T277-T280 PolarHBondContact OG1-OG1 2.65Å | ||
| 278 | L | 94.3 | Very high | 87.4 | Confident | 151 Ų | 151 | 61.5 Ų | 61.5 | 79% | 0.791 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -62 | -34.7 | 170.7 | -60.4 | -179.2 | 0 | 0 | 0 | 111.8 | T280 S281 | L278-T280 VanDerWaalsContact C-N 3.34Å; L278-T280 PolarHBondContact O-N 3.45Å; L278-S281 VanDerWaalsContact O-CB 3.25Å; L278-S281 WeakPolarHBondContact O-CB 3.45Å; L278-S281 PolarHBondContact O-N 3.46Å; L278-S281 PolarHBondContact O-OG 2.83Å |
| 279 | L | 95.1 | Very high | 88.3 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -63.8 | -38.4 | 176.1 | -61.8 | 177 | 0 | 0 | 0 | 111.8 | T277 S281 L282 T373 H374 F376 | T277-L279 PolarHBondContact O-N 3.46Å; T277-L279 PolarHBondContact OG1-N 3.15Å; L279-S281 PolarHBondContact O-N 3.4Å; L279-L282 HydrophobicContact CD2-CD1 4.1Å; L279-L282 WeakPolarHBondContact O-CB 3.36Å; L279-L282 PolarHBondContact O-N 3.47Å; L279-T373 HydrophobicContact CD1-CG2 3.86Å; L279-H374 PolarHBondContact O-CD2 3.46Å; L279-H374 VanDerWaalsContact O-CD2 3.23Å; L279-H374 PolarHBondContact O-NE2 2.79Å; L279-F376 HydrophobicContact CD1-CD1 4.45Å; L279-F376 HydrophobicContact CD2-CD1 4.1Å; L279-F376 HydrophobicContact CD2-CG 4.41Å |
| 280 | T | 94.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -54.5 | -23.3 | 173.1 | -44.7 | 0 | 0 | 0 | 0 | 112.6 | R227 L234 I242 V276 T277 L278 | R227-T280 PolarHBondContact NH2-O 3.38Å; L234-T280 HydrophobicContact CD2-CG2 4.35Å; I242-T280 WeakPolarHBondContact CD1-O 3.35Å; I242-T280 WeakPolarHBondContact CG1-O 3.36Å; V276-T280 HydrophobicContact CG1-CG2 4.21Å; T277-T280 PolarHBondContact N-OG1 2.84Å; T277-T280 WeakPolarHBondContact O-CB 3.35Å; T277-T280 PolarHBondContact O-N 3.26Å; T277-T280 PolarHBondContact O-OG1 2.78Å; T277-T280 PolarHBondContact OG1-N 3.45Å; T277-T280 PolarHBondContact OG1-OG1 2.65Å; L278-T280 VanDerWaalsContact C-N 3.34Å; L278-T280 PolarHBondContact O-N 3.45Å |
| 281 | S | 93.3 | Very high | 90.5 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -83 | -10.4 | -178.3 | 87.9 | 0 | 0 | 0 | 0 | 114.6 | R207 L278 L279 | R207-S281 WeakPolarHBondContact CD-OG 2.89Å; R207-S281 VanDerWaalsContact CZ-CB 3.48Å; R207-S281 VanDerWaalsContact CZ-O 3.27Å; R207-S281 PolarHBondContact NE-O 3.17Å; R207-S281 PolarHBondContact NE-OG 3.49Å; R207-S281 PolarHBondContact NH2-O 2.61Å; L278-S281 VanDerWaalsContact O-CB 3.25Å; L278-S281 WeakPolarHBondContact O-CB 3.45Å; L278-S281 PolarHBondContact O-N 3.46Å; L278-S281 PolarHBondContact O-OG 2.83Å; L279-S281 PolarHBondContact O-N 3.4Å |
| 282 | L | 95.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -89.6 | 167.8 | 177 | -52.4 | 179.8 | 0 | 0 | 0 | 111.4 | R207 L208 R227 L279 E286 A287 L290 | R207-L282 HydrophobicContact CB-CD2 4.38Å; L208-L282 HydrophobicContact CD1-CD2 4.14Å; L208-L282 HydrophobicContact CG-CD2 4.25Å; R227-L282 PolarHBondContact NH1-O 2.81Å; L279-L282 HydrophobicContact CD2-CD1 4.1Å; L279-L282 WeakPolarHBondContact O-CB 3.36Å; L279-L282 PolarHBondContact O-N 3.47Å; L282-E286 HydrophobicContact CD2-CG 4.17Å; L282-A287 HydrophobicContact CB-CB 4.47Å; L282-A287 HydrophobicContact CD1-CB 4.18Å; L282-L290 HydrophobicContact CD1-CD2 4.12Å |
| 283 | V | 95.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | trans | -107.8 | 158.3 | 163.6 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | Y217 V219 E223 I242 L243 G285 E286 A287 | Y217-V283 HydrophobicContact CD2-CG2 4.42Å; Y217-V283 HydrophobicContact CG-CG2 4.14Å; V219-V283 HydrophobicContact CG2-CB 3.96Å; V219-V283 HydrophobicContact CG2-CG1 3.63Å; V219-V283 HydrophobicContact CG2-CG2 4.39Å; E223-V283 WeakPolarHBondContact OE1-CA 3.41Å; E223-V283 WeakPolarHBondContact OE1-CB 3.5Å; I242-V283 HydrophobicContact CG2-CG1 3.73Å; L243-V283 HydrophobicContact CD2-CG1 4.27Å; V283-G285 VanDerWaalsContact C-N 3.32Å; V283-G285 PolarHBondContact O-N 3.21Å; V283-E286 HydrophobicContact CG2-CB 3.91Å; V283-E286 WeakPolarHBondContact O-CA 3.47Å; V283-E286 WeakPolarHBondContact O-CB 3.49Å; V283-E286 PolarHBondContact O-N 3.46Å; V283-A287 PolarHBondContact O-N 3.5Å | ||
| 284 | E | 95.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.1 | -42.5 | -173.3 | -76.6 | 169 | -137.3 | 0 | 0 | 113.6 | E223 R226 E286 A287 L288 G350 H374 | E223-E284 WeakPolarHBondContact CB-OE1 3.36Å; E223-E284 HydrophobicContact CG-CG 4.35Å; E223-E284 VanDerWaalsContact CG-OE1 3.25Å; E223-E284 WeakPolarHBondContact CG-OE1 3.49Å; E223-E284 PolarHBondContact OE1-N 3.47Å; R226-E284 IonicContact CZ-OE1 2.65Å; R226-E284 IonicContact NE-OE1 2.68Å; R226-E284 PolarHBondContact NE-OE1 2.86Å; R226-E284 IonicContact NH2-OE1 3.69Å; R226-E284 PolarHBondContact NH2-OE1 2.86Å; E284-E286 VanDerWaalsContact C-N 3.26Å; E284-E286 PolarHBondContact O-N 2.93Å; E284-A287 PolarHBondContact O-N 3.09Å; E284-L288 WeakPolarHBondContact O-CB 3.29Å; E284-L288 VanDerWaalsContact O-CG 3.28Å; E284-L288 WeakPolarHBondContact O-CG 3.46Å; E284-L288 PolarHBondContact O-N 3.37Å; E284-G350 WeakPolarHBondContact OE2-CA 3.48Å; E284-G350 PolarHBondContact OE2-N 3.3Å; E284-H374 HydrophobicContact CG-CB 3.9Å |
| 285 | G | 94.6 | Very high | 94.9 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 22% | 0.216 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -31.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y217 V283 H289 | Y217-G285 WeakPolarHBondContact CE1-O 3.34Å; V283-G285 VanDerWaalsContact C-N 3.32Å; V283-G285 PolarHBondContact O-N 3.21Å; G285-H289 PolarHBondContact O-CD2 3.37Å; G285-H289 PolarHBondContact O-N 3.22Å |
| 286 | E | 95.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -79.4 | -40.3 | 177.5 | -175.2 | 165.8 | -138.9 | 0 | 0 | 111.4 | G206 R207 L208 Y217 L282 V283 E284 H289 L290 | G206-E286 VanDerWaalsContact CA-OE1 3.27Å; G206-E286 WeakPolarHBondContact CA-OE1 3.24Å; R207-E286 WeakPolarHBondContact CA-OE1 3.25Å; R207-E286 PolarHBondContact N-OE1 3.02Å; R207-E286 PolarHBondContact N-OE2 2.76Å; L208-E286 PolarHBondContact N-OE1 2.68Å; Y217-E286 HydrophobicContact CD1-CB 4.26Å; Y217-E286 HydrophobicContact CD2-CB 3.77Å; Y217-E286 HydrophobicContact CD2-CG 4.25Å; Y217-E286 HydrophobicContact CE1-CB 4.15Å; Y217-E286 HydrophobicContact CE2-CB 3.64Å; Y217-E286 HydrophobicContact CE2-CG 3.7Å; Y217-E286 HydrophobicContact CG-CB 4.07Å; L282-E286 HydrophobicContact CD2-CG 4.17Å; V283-E286 HydrophobicContact CG2-CB 3.91Å; V283-E286 WeakPolarHBondContact O-CA 3.47Å; V283-E286 WeakPolarHBondContact O-CB 3.49Å; V283-E286 PolarHBondContact O-N 3.46Å; E284-E286 VanDerWaalsContact C-N 3.26Å; E284-E286 PolarHBondContact O-N 2.93Å; E286-H289 PolarHBondContact O-N 3.43Å; E286-L290 WeakPolarHBondContact O-CB 3.14Å; E286-L290 PolarHBondContact O-N 2.97Å |
| 287 | A | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L282 V283 E284 A291 H374 F376 | L282-A287 HydrophobicContact CB-CB 4.47Å; L282-A287 HydrophobicContact CD1-CB 4.18Å; V283-A287 PolarHBondContact O-N 3.5Å; E284-A287 PolarHBondContact O-N 3.09Å; A287-A291 WeakPolarHBondContact O-CB 3.41Å; A287-A291 PolarHBondContact O-N 3.03Å; A287-H374 HydrophobicContact CB-CB 3.9Å; A287-H374 WeakPolarHBondContact CB-O 3.38Å; A287-F376 HydrophobicContact CB-CB 4.16Å |
| 288 | L | 95.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 38% | 0.382 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.8 | -30.8 | 175.9 | -70.4 | 169.6 | 0 | 0 | 0 | 113.2 | E284 R292 | E284-L288 WeakPolarHBondContact O-CB 3.29Å; E284-L288 VanDerWaalsContact O-CG 3.28Å; E284-L288 WeakPolarHBondContact O-CG 3.46Å; E284-L288 PolarHBondContact O-N 3.37Å; L288-R292 PolarHBondContact O-N 3.27Å |
| 289 | H | 95.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.4 | -50 | 171 | -83.3 | -139.8 | 0 | 0 | 0 | 110.7 | Y217 G285 E286 A291 R292 D293 | Y217-H289 HydrophobicContact CE1-CB 4.23Å; Y217-H289 AromaticContact CE1-CG 3.79Å; Y217-H289 AromaticContact CE1-ND1 3.72Å; G285-H289 PolarHBondContact O-CD2 3.37Å; G285-H289 PolarHBondContact O-N 3.22Å; E286-H289 PolarHBondContact O-N 3.43Å; H289-A291 PolarHBondContact O-N 2.92Å; H289-R292 WeakPolarHBondContact O-CA 3.4Å; H289-R292 WeakPolarHBondContact O-CB 3.35Å; H289-R292 PolarHBondContact O-N 3.48Å; H289-D293 VanDerWaalsContact O-CG 3.31Å; H289-D293 PolarHBondContact O-N 3.37Å |
| 290 | L | 97.2 | Very high | 96.6 | Very high | 58 Ų | 58 | 52.5 Ų | 52.5 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -54.5 | -37.5 | 176.1 | 180 | 64.3 | 0 | 0 | 0 | 112.6 | L208 L282 E286 F294 F376 | L208-L290 HydrophobicContact CD1-CB 4.46Å; L208-L290 HydrophobicContact CD1-CD1 4Å; L208-L290 HydrophobicContact CD1-CD2 3.9Å; L208-L290 HydrophobicContact CD1-CG 4.34Å; L282-L290 HydrophobicContact CD1-CD2 4.12Å; E286-L290 WeakPolarHBondContact O-CB 3.14Å; E286-L290 PolarHBondContact O-N 2.97Å; L290-F294 WeakPolarHBondContact O-CB 3.48Å; L290-F294 PolarHBondContact O-N 3.02Å; L290-F376 HydrophobicContact CB-CD2 4.29Å; L290-F376 HydrophobicContact CD2-CD2 4.07Å; L290-F376 HydrophobicContact CD2-CE2 4.02Å; L290-F376 HydrophobicContact CG-CD2 4.01Å; L290-F376 HydrophobicContact CG-CE2 3.81Å |
| 291 | A | 97.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A287 H289 G295 F376 P379 | A287-A291 WeakPolarHBondContact O-CB 3.41Å; A287-A291 PolarHBondContact O-N 3.03Å; H289-A291 PolarHBondContact O-N 2.92Å; A291-G295 PolarHBondContact O-N 2.9Å; A291-F376 HydrophobicContact CB-CD2 3.72Å; A291-F376 HydrophobicContact CB-CE2 4.31Å; A291-F376 HydrophobicContact CB-CG 4.49Å; A291-P379 HydrophobicContact CB-CB 4.18Å |
| 292 | R | 97.1 | Very high | 97 | Very high | 160 Ų | 160 | 61.4 Ų | 61.4 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -69.3 | -47.4 | 175.4 | -174.3 | -169 | -57 | 160.5 | 7 | 111 | L288 H289 F294 G295 Y296 | L288-R292 PolarHBondContact O-N 3.27Å; H289-R292 WeakPolarHBondContact O-CA 3.4Å; H289-R292 WeakPolarHBondContact O-CB 3.35Å; H289-R292 PolarHBondContact O-N 3.48Å; R292-F294 VanDerWaalsContact C-N 3.33Å; R292-F294 PolarHBondContact O-N 3.34Å; R292-G295 PolarHBondContact O-N 3.38Å; R292-G295 VanDerWaalsContact O-N 3.13Å; R292-Y296 PolarHBondContact O-N 3.08Å |
| 293 | D | 97.3 | Very high | 97.1 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | -177.5 | -58 | -14.7 | 0 | 0 | 0 | 110.5 | H289 Y296 T297 | H289-D293 VanDerWaalsContact O-CG 3.31Å; H289-D293 PolarHBondContact O-N 3.37Å; D293-Y296 PolarHBondContact O-N 3.19Å; D293-T297 PolarHBondContact O-N 2.91Å; D293-T297 PolarHBondContact O-OG1 3.22Å |
| 294 | F | 98.5 | Very high | 97.2 | Very high | 81 Ų | 81 | 65.1 Ų | 65.1 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 169.8 | 177.4 | -104.6 | 0 | 0 | 0 | 112.1 | L290 R292 Y296 T297 C298 A380 A383 | L290-F294 WeakPolarHBondContact O-CB 3.48Å; L290-F294 PolarHBondContact O-N 3.02Å; R292-F294 VanDerWaalsContact C-N 3.33Å; R292-F294 PolarHBondContact O-N 3.34Å; F294-Y296 PolarHBondContact O-N 3.32Å; F294-T297 PolarHBondContact O-N 2.86Å; F294-C298 VanDerWaalsContact CZ-SG 3.51Å; F294-C298 WeakPolarHBondContact O-CB 3.41Å; F294-C298 PolarHBondContact O-N 2.86Å; F294-C298 PolarHBondContact O-SG 3.04Å; F294-C298 VanDerWaalsContact O-SG 3.34Å; F294-A380 HydrophobicContact CD1-CB 3.99Å; F294-A380 HydrophobicContact CE1-CB 4.06Å; F294-A383 HydrophobicContact CD1-CB 4.34Å; F294-A383 HydrophobicContact CE1-CB 4.3Å |
| 295 | G | 98.4 | Very high | 97.4 | Very high | 20 Ų | 20 | 70.2 Ų | 70.2 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A291 R292 C298 E299 | A291-G295 PolarHBondContact O-N 2.9Å; R292-G295 PolarHBondContact O-N 3.38Å; R292-G295 VanDerWaalsContact O-N 3.13Å; G295-C298 WeakPolarHBondContact O-CB 3.36Å; G295-C298 PolarHBondContact O-N 3.25Å; G295-E299 PolarHBondContact O-N 2.9Å; G295-E299 VanDerWaalsContact O-N 3.15Å |
| 296 | Y | 98.5 | Very high | 97.5 | Very high | 144 Ų | 144 | 72 Ų | 72 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.6 | -50.5 | 175.3 | 177.8 | -90.6 | 0 | 0 | 0 | 111.7 | R292 D293 F294 C298 E299 T300 | R292-Y296 PolarHBondContact O-N 3.08Å; D293-Y296 PolarHBondContact O-N 3.19Å; F294-Y296 PolarHBondContact O-N 3.32Å; Y296-C298 VanDerWaalsContact C-N 3.25Å; Y296-C298 PolarHBondContact O-N 2.99Å; Y296-E299 WeakPolarHBondContact O-CA 3.48Å; Y296-E299 WeakPolarHBondContact O-CB 3.3Å; Y296-E299 PolarHBondContact O-N 3.32Å; Y296-T300 HydrophobicContact CD1-CG2 4.43Å; Y296-T300 HydrophobicContact CD2-CG2 4.18Å; Y296-T300 HydrophobicContact CE1-CG2 3.99Å; Y296-T300 WeakPolarHBondContact CE1-OG1 3.47Å; Y296-T300 HydrophobicContact CE2-CG2 3.74Å; Y296-T300 PolarHBondContact O-N 3.43Å; Y296-T300 PolarHBondContact O-OG1 3.17Å |
| 297 | T | 98.6 | Very high | 97.7 | Very high | 71 Ų | 71 | 74.1 Ų | 74.1 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -35 | 176.5 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | D293 F294 E299 E301 F302 | D293-T297 PolarHBondContact O-N 2.91Å; D293-T297 PolarHBondContact O-OG1 3.22Å; F294-T297 PolarHBondContact O-N 2.86Å; T297-E299 PolarHBondContact O-N 3.38Å; T297-E301 HydrophobicContact CG2-CB 4.05Å; T297-E301 HydrophobicContact CG2-CG 3.93Å; T297-E301 WeakPolarHBondContact O-CB 3.22Å; T297-E301 PolarHBondContact O-N 2.88Å; T297-F302 PolarHBondContact O-N 2.81Å |
| 298 | C | 98.5 | Very high | 97.7 | Very high | 21 Ų | 21 | 74.1 Ų | 74.1 | 14% | 0.142 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.1 | -18.1 | 174.3 | -79.3 | 0 | 0 | 0 | 0 | 114.2 | F294 G295 Y296 A383 T387 | F294-C298 VanDerWaalsContact CZ-SG 3.51Å; F294-C298 WeakPolarHBondContact O-CB 3.41Å; F294-C298 PolarHBondContact O-N 2.86Å; F294-C298 PolarHBondContact O-SG 3.04Å; F294-C298 VanDerWaalsContact O-SG 3.34Å; G295-C298 WeakPolarHBondContact O-CB 3.36Å; G295-C298 PolarHBondContact O-N 3.25Å; Y296-C298 VanDerWaalsContact C-N 3.25Å; Y296-C298 PolarHBondContact O-N 2.99Å; C298-A383 HydrophobicContact CB-CB 4.49Å; C298-T387 WeakPolarHBondContact CB-OG1 3.47Å; C298-T387 PolarHBondContact O-OG1 3.07Å |
| 299 | E | 96.8 | Very high | 97.7 | Very high | 161 Ų | 161 | 72.6 Ų | 72.6 | 75% | 0.752 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -97.4 | -42.6 | 177.3 | -175.8 | 170.6 | -158.8 | 0 | 0 | 112.2 | G295 Y296 T297 | G295-E299 PolarHBondContact O-N 2.9Å; G295-E299 VanDerWaalsContact O-N 3.15Å; Y296-E299 WeakPolarHBondContact O-CA 3.48Å; Y296-E299 WeakPolarHBondContact O-CB 3.3Å; Y296-E299 PolarHBondContact O-N 3.32Å; T297-E299 PolarHBondContact O-N 3.38Å |
| 300 | T | 98.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 74 Ų | 74 | 39% | 0.393 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -92.7 | -40.4 | -174.4 | 64.6 | 0 | 0 | 0 | 0 | 114.5 | Y296 | Y296-T300 HydrophobicContact CD1-CG2 4.43Å; Y296-T300 HydrophobicContact CD2-CG2 4.18Å; Y296-T300 HydrophobicContact CE1-CG2 3.99Å; Y296-T300 WeakPolarHBondContact CE1-OG1 3.47Å; Y296-T300 HydrophobicContact CE2-CG2 3.74Å; Y296-T300 PolarHBondContact O-N 3.43Å; Y296-T300 PolarHBondContact O-OG1 3.17Å |
| 301 | E | 98.2 | Very high | 97.7 | Very high | 131 Ų | 131 | 73.8 Ų | 73.8 | 61% | 0.612 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -21.1 | -170.5 | -48.9 | -50.3 | 122.9 | 0 | 0 | 113.4 | T297 P303 | T297-E301 HydrophobicContact CG2-CB 4.05Å; T297-E301 HydrophobicContact CG2-CG 3.93Å; T297-E301 WeakPolarHBondContact O-CB 3.22Å; T297-E301 PolarHBondContact O-N 2.88Å; E301-P303 WeakPolarHBondContact O-CD 3.46Å |
| 302 | F | 98.4 | Very high | 97.5 | Very high | 89 Ų | 89 | 73.6 Ų | 73.6 | 39% | 0.39 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -73.8 | 125.2 | -176.6 | -171.4 | -87.4 | 0 | 0 | 0 | 111.4 | T297 A304 V307 T387 V391 | T297-F302 PolarHBondContact O-N 2.81Å; F302-A304 HydrophobicContact CD1-CB 3.97Å; F302-A304 HydrophobicContact CE1-CB 4.35Å; F302-A304 PolarHBondContact O-N 2.99Å; F302-V307 HydrophobicContact CE1-CG2 4.3Å; F302-V307 HydrophobicContact CZ-CG2 4.32Å; F302-T387 HydrophobicContact CB-CG2 3.8Å; F302-T387 HydrophobicContact CD1-CG2 3.17Å; F302-T387 HydrophobicContact CD2-CG2 4.05Å; F302-T387 HydrophobicContact CE1-CG2 3.69Å; F302-T387 HydrophobicContact CE2-CG2 4.47Å; F302-T387 HydrophobicContact CG-CG2 3.37Å; F302-T387 HydrophobicContact CZ-CG2 4.32Å; F302-V391 HydrophobicContact CE1-CG2 3.75Å |
| 303 | P | 98.3 | Very high | 97.2 | Very high | 77 Ų | 77 | 71.2 Ų | 71.2 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | trans | -80.1 | 54.8 | -172.5 | 34.2 | -37.9 | 0 | 0 | 0 | 113 | E301 K305 A306 V307 | E301-P303 WeakPolarHBondContact O-CD 3.46Å; P303-K305 VanDerWaalsContact C-N 3.25Å; P303-K305 PolarHBondContact O-N 2.61Å; P303-K305 VanDerWaalsContact O-N 3.12Å; P303-A306 HydrophobicContact CB-CB 4.34Å; P303-A306 PolarHBondContact O-N 2.75Å; P303-V307 HydrophobicContact CG-CG2 4.24Å; P303-V307 WeakPolarHBondContact O-CG2 3.42Å; P303-V307 PolarHBondContact O-N 3.49Å; P303-V307 VanDerWaalsContact O-N 3.08Å | ||
| 304 | A | 98.3 | Very high | 96.7 | Very high | 11 Ų | 11 | 72.9 Ų | 72.9 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -52.9 | -40 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F302 G308 T390 V391 | F302-A304 HydrophobicContact CD1-CB 3.97Å; F302-A304 HydrophobicContact CE1-CB 4.35Å; F302-A304 PolarHBondContact O-N 2.99Å; A304-G308 PolarHBondContact O-N 3.22Å; A304-T390 HydrophobicContact CB-CG2 3.66Å; A304-V391 HydrophobicContact CB-CG2 3.95Å |
| 305 | K | 97.8 | Very high | 95.9 | Very high | 115 Ų | 115 | 72.2 Ų | 72.2 | 50% | 0.5 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -51.8 | 175.6 | 176.5 | 173.3 | 176.1 | -169.5 | 0 | 113 | P303 V307 G308 E309 E394 | P303-K305 VanDerWaalsContact C-N 3.25Å; P303-K305 PolarHBondContact O-N 2.61Å; P303-K305 VanDerWaalsContact O-N 3.12Å; K305-V307 VanDerWaalsContact C-N 3.26Å; K305-V307 PolarHBondContact O-N 3.27Å; K305-G308 PolarHBondContact O-N 3.11Å; K305-E309 WeakPolarHBondContact CE-OE1 3.34Å; K305-E309 HydrophobicContact CG-CG 4.21Å; K305-E309 IonicContact NZ-OE1 3.12Å; K305-E309 WeakPolarHBondContact O-CB 3.43Å; K305-E309 WeakPolarHBondContact O-CG 3.41Å; K305-E309 PolarHBondContact O-N 3.48Å; K305-E394 HydrophobicContact CB-CG 3.98Å; K305-E394 HydrophobicContact CG-CG 4.44Å; K305-E394 WeakPolarHBondContact CG-OE2 3.39Å |
| 306 | A | 98.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 74.8 Ų | 74.8 | 49% | 0.488 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P303 H310 | P303-A306 HydrophobicContact CB-CB 4.34Å; P303-A306 PolarHBondContact O-N 2.75Å; A306-H310 VanDerWaalsContact O-CB 3.26Å; A306-H310 WeakPolarHBondContact O-CB 3.39Å; A306-H310 PolarHBondContact O-N 3.1Å; A306-H310 VanDerWaalsContact O-N 3.09Å |
| 307 | V | 98.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 74.7 Ų | 74.7 | 30% | 0.303 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.7 | -50.5 | 173.5 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | F302 P303 K305 H310 I311 V391 | F302-V307 HydrophobicContact CE1-CG2 4.3Å; F302-V307 HydrophobicContact CZ-CG2 4.32Å; P303-V307 HydrophobicContact CG-CG2 4.24Å; P303-V307 WeakPolarHBondContact O-CG2 3.42Å; P303-V307 PolarHBondContact O-N 3.49Å; P303-V307 VanDerWaalsContact O-N 3.08Å; K305-V307 VanDerWaalsContact C-N 3.26Å; K305-V307 PolarHBondContact O-N 3.27Å; V307-H310 PolarHBondContact O-N 2.95Å; V307-H310 VanDerWaalsContact O-N 3.16Å; V307-I311 HydrophobicContact CG1-CD1 3.81Å; V307-I311 WeakPolarHBondContact O-CG1 3.37Å; V307-I311 PolarHBondContact O-N 3.05Å; V307-V391 HydrophobicContact CB-CG2 4.42Å; V307-V391 HydrophobicContact CG1-CG1 3.98Å; V307-V391 HydrophobicContact CG1-CG2 4.26Å |
| 308 | G | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | A304 K305 H310 I311 A312 M395 | A304-G308 PolarHBondContact O-N 3.22Å; K305-G308 PolarHBondContact O-N 3.11Å; G308-H310 VanDerWaalsContact C-N 3.32Å; G308-H310 PolarHBondContact O-N 3.38Å; G308-I311 PolarHBondContact O-N 2.87Å; G308-A312 VanDerWaalsContact O-CB 3.25Å; G308-A312 WeakPolarHBondContact O-CB 3.49Å; G308-A312 PolarHBondContact O-N 3.42Å; G308-M395 WeakPolarHBondContact O-CG 3.29Å |
| 309 | E | 96.1 | Very high | 91.7 | Very high | 41 Ų | 41 | 84.3 Ų | 84.3 | 19% | 0.192 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.3 | -36.1 | 173.9 | -64.9 | -174.5 | 174.9 | 0 | 0 | 112.4 | K305 A312 R313 Y398 | K305-E309 WeakPolarHBondContact CE-OE1 3.34Å; K305-E309 HydrophobicContact CG-CG 4.21Å; K305-E309 IonicContact NZ-OE1 3.12Å; K305-E309 WeakPolarHBondContact O-CB 3.43Å; K305-E309 WeakPolarHBondContact O-CG 3.41Å; K305-E309 PolarHBondContact O-N 3.48Å; E309-A312 PolarHBondContact O-N 3.03Å; E309-R313 WeakPolarHBondContact O-CB 3.48Å; E309-R313 WeakPolarHBondContact O-CG 3.37Å; E309-R313 PolarHBondContact O-N 3.29Å; E309-R313 PolarHBondContact O-NE 3.31Å; E309-R313 IonicContact OE2-NH1 3.09Å; E309-R313 PolarHBondContact OE2-NH1 2.78Å; E309-Y398 HydrophobicContact CB-CD2 3.93Å; E309-Y398 HydrophobicContact CB-CE2 4.45Å; E309-Y398 HydrophobicContact CB-CG 4.33Å; E309-Y398 HydrophobicContact CG-CD2 3.73Å; E309-Y398 HydrophobicContact CG-CG 4.26Å |
| 310 | H | 96.3 | Very high | 91.1 | Very high | 104 Ų | 104 | 82.6 Ų | 82.6 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.8 | -47.2 | 177.1 | -176.7 | 107.8 | 0 | 0 | 0 | 111.6 | A306 V307 G308 A312 R313 Q314 | A306-H310 VanDerWaalsContact O-CB 3.26Å; A306-H310 WeakPolarHBondContact O-CB 3.39Å; A306-H310 PolarHBondContact O-N 3.1Å; A306-H310 VanDerWaalsContact O-N 3.09Å; V307-H310 PolarHBondContact O-N 2.95Å; V307-H310 VanDerWaalsContact O-N 3.16Å; G308-H310 VanDerWaalsContact C-N 3.32Å; G308-H310 PolarHBondContact O-N 3.38Å; H310-A312 VanDerWaalsContact C-N 3.34Å; H310-R313 PolarHBondContact O-N 3.1Å; H310-Q314 PolarHBondContact NE2-NE2 3.2Å |
| 311 | I | 95.1 | Very high | 90.4 | Very high | 54 Ų | 54 | 80 Ų | 80 | 28% | 0.277 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 178.2 | -60.5 | 165.9 | 0 | 0 | 0 | 109.9 | V307 G308 R313 Q314 H315 V391 M395 | V307-I311 HydrophobicContact CG1-CD1 3.81Å; V307-I311 WeakPolarHBondContact O-CG1 3.37Å; V307-I311 PolarHBondContact O-N 3.05Å; G308-I311 PolarHBondContact O-N 2.87Å; I311-R313 PolarHBondContact O-N 3.36Å; I311-Q314 WeakPolarHBondContact O-CB 3.47Å; I311-Q314 PolarHBondContact O-N 3.16Å; I311-H315 PolarHBondContact O-CD2 3.49Å; I311-V391 HydrophobicContact CD1-CG1 4.23Å; I311-M395 HydrophobicContact CB-CE 4.37Å; I311-M395 HydrophobicContact CB-CG 4.49Å; I311-M395 HydrophobicContact CB-SD 4.2Å; I311-M395 HydrophobicContact CG2-CE 3.65Å; I311-M395 HydrophobicContact CG2-SD 3.98Å |
| 312 | A | 93.6 | Very high | 90 | Very high | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G308 E309 H310 Q314 H315 M395 Y398 L399 | G308-A312 VanDerWaalsContact O-CB 3.25Å; G308-A312 WeakPolarHBondContact O-CB 3.49Å; G308-A312 PolarHBondContact O-N 3.42Å; E309-A312 PolarHBondContact O-N 3.03Å; H310-A312 VanDerWaalsContact C-N 3.34Å; A312-Q314 PolarHBondContact O-N 3.29Å; A312-Q314 VanDerWaalsContact O-N 3.15Å; A312-H315 PolarHBondContact O-N 2.88Å; A312-H315 VanDerWaalsContact O-N 3.09Å; A312-M395 HydrophobicContact CB-CB 4.31Å; A312-M395 HydrophobicContact CB-CG 4.3Å; A312-Y398 HydrophobicContact CB-CD1 3.48Å; A312-Y398 VanDerWaalsContact CB-CD1 3.48Å; A312-Y398 HydrophobicContact CB-CE1 4.38Å; A312-Y398 HydrophobicContact CB-CG 4Å; A312-L399 HydrophobicContact CB-CD2 3.97Å; A312-L399 HydrophobicContact CB-CG 4.06Å |
| 313 | R | 90.9 | Very high | 89.7 | Confident | 111 Ų | 111 | 76.8 Ų | 76.8 | 42% | 0.419 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.6 | -24.3 | 173.9 | -84.2 | -177.2 | -70.6 | -95.9 | 3.9 | 114.2 | E309 H310 I311 H315 M316 Y398 | E309-R313 WeakPolarHBondContact O-CB 3.48Å; E309-R313 WeakPolarHBondContact O-CG 3.37Å; E309-R313 PolarHBondContact O-N 3.29Å; E309-R313 PolarHBondContact O-NE 3.31Å; E309-R313 IonicContact OE2-NH1 3.09Å; E309-R313 PolarHBondContact OE2-NH1 2.78Å; H310-R313 PolarHBondContact O-N 3.1Å; I311-R313 PolarHBondContact O-N 3.36Å; R313-H315 VanDerWaalsContact C-N 3.28Å; R313-H315 PolarHBondContact O-N 2.79Å; R313-M316 VanDerWaalsContact O-CG 3.29Å; R313-M316 WeakPolarHBondContact O-CG 3.45Å; R313-Y398 HydrophobicContact CB-CE1 4.48Å; R313-Y398 HydrophobicContact CG-CE1 3.63Å; R313-Y398 HydrophobicContact CG-CE2 4.34Å; R313-Y398 VanDerWaalsContact CG-CZ 3.48Å; R313-Y398 VanDerWaalsContact CG-OH 3.28Å; R313-Y398 WeakPolarHBondContact CG-OH 3.3Å |
| 314 | Q | 86.9 | Confident | 89.5 | Confident | 125 Ų | 125 | 76 Ų | 76 | 58% | 0.584 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -9.5 | 179.1 | -60.1 | 177.8 | -1.1 | 0 | 0 | 113.4 | H310 I311 A312 | H310-Q314 PolarHBondContact NE2-NE2 3.2Å; I311-Q314 WeakPolarHBondContact O-CB 3.47Å; I311-Q314 PolarHBondContact O-N 3.16Å; A312-Q314 PolarHBondContact O-N 3.29Å; A312-Q314 VanDerWaalsContact O-N 3.15Å |
| 315 | H | 81.6 | Confident | 89.3 | Confident | 67 Ų | 67 | 77.3 Ų | 77.3 | 31% | 0.31 | 38% | 0.38 | S | S | . | . | trans | -129 | 56.9 | -174.1 | -57.4 | -74.9 | 0 | 0 | 0 | 112.2 | I311 A312 R313 Q321 R324 | I311-H315 PolarHBondContact O-CD2 3.49Å; A312-H315 PolarHBondContact O-N 2.88Å; A312-H315 VanDerWaalsContact O-N 3.09Å; R313-H315 VanDerWaalsContact C-N 3.28Å; R313-H315 PolarHBondContact O-N 2.79Å; H315-Q321 PolarHBondContact O-NE2 2.98Å; H315-Q321 VanDerWaalsContact O-NE2 3.13Å; H315-R324 HydrophobicContact CB-CG 4.11Å; H315-R324 PolarHBondContact CD2-NE 2.96Å; H315-R324 PolarHBondContact CD2-NH2 3.5Å; H315-R324 VanDerWaalsContact CD2-NH2 3.27Å; H315-R324 PolarHBondContact NE2-NH2 3.18Å | ||
| 316 | M | 76.6 | Confident | 89.2 | Confident | 75 Ų | 75 | 78.9 Ų | 78.9 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | trans | -89.8 | -4 | -172.3 | -69.7 | -71 | -96.7 | 0 | 0 | 114.8 | R313 Q318 Y398 H402 | R313-M316 VanDerWaalsContact O-CG 3.29Å; R313-M316 WeakPolarHBondContact O-CG 3.45Å; M316-Q318 PolarHBondContact O-N 3.34Å; M316-Y398 HydrophobicContact CE-CE1 3.94Å; M316-Y398 HydrophobicContact SD-CE1 3.79Å; M316-H402 HydrophobicContact CE-CB 3.85Å; M316-H402 HydrophobicContact SD-CB 4.36Å | ||
| 317 | E | 78.3 | Confident | 89.1 | Confident | 141 Ų | 141 | 81.3 Ų | 81.3 | 66% | 0.659 | 39% | 0.389 | S | S | * | . | trans | -66.4 | 113.6 | -178.5 | -67.3 | -162.6 | -156.6 | 0 | 0 | 112.8 | K319 E320 Q321 | E317-K319 PolarHBondContact O-N 2.78Å; E317-K319 VanDerWaalsContact O-N 3.13Å; E317-E320 PolarHBondContact O-N 3.08Å; E317-Q321 PolarHBondContact O-N 3.02Å; E317-Q321 VanDerWaalsContact O-N 3.08Å | ||
| 318 | Q | 72.6 | Confident | 89.1 | Confident | 91 Ų | 91 | 79 Ų | 79 | 43% | 0.425 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.9 | -26.3 | -171.9 | -73.6 | -163.6 | -32.5 | 0 | 0 | 114.6 | M316 E320 | M316-Q318 PolarHBondContact O-N 3.34Å; Q318-E320 VanDerWaalsContact C-N 3.26Å; Q318-E320 PolarHBondContact O-N 3.12Å |
| 319 | K | 77.5 | Confident | 89.1 | Confident | 203 Ų | 203 | 83.6 Ų | 83.6 | 88% | 0.883 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66 | -30.1 | 175.1 | -167.1 | 178.8 | 179.2 | -173.9 | 0 | 112.2 | E317 | E317-K319 PolarHBondContact O-N 2.78Å; E317-K319 VanDerWaalsContact O-N 3.13Å |
| 320 | E | 84.9 | Confident | 89.2 | Confident | 125 Ų | 125 | 84.1 Ų | 84.1 | 58% | 0.584 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -100 | -18.7 | -177.8 | -56.1 | -153.1 | 145.2 | 0 | 0 | 113.8 | E317 Q318 T322 A323 R324 | E317-E320 PolarHBondContact O-N 3.08Å; Q318-E320 VanDerWaalsContact C-N 3.26Å; Q318-E320 PolarHBondContact O-N 3.12Å; E320-T322 VanDerWaalsContact C-N 3.25Å; E320-T322 PolarHBondContact O-N 2.79Å; E320-T322 VanDerWaalsContact O-N 3.08Å; E320-A323 CarbonylContact O-C 3.59Å; E320-A323 WeakPolarHBondContact O-CA 3.43Å; E320-A323 WeakPolarHBondContact O-CB 3.43Å; E320-A323 PolarHBondContact O-N 2.89Å; E320-R324 PolarHBondContact O-N 3.39Å |
| 321 | Q | 84.6 | Confident | 89.3 | Confident | 11 Ų | 11 | 81.9 Ų | 81.9 | 5% | 0.051 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -43.2 | -46.7 | 179.6 | -80.2 | -70.3 | -7 | 0 | 0 | 114 | H315 E317 A323 R324 K325 | H315-Q321 PolarHBondContact O-NE2 2.98Å; H315-Q321 VanDerWaalsContact O-NE2 3.13Å; E317-Q321 PolarHBondContact O-N 3.02Å; E317-Q321 VanDerWaalsContact O-N 3.08Å; Q321-A323 PolarHBondContact O-N 2.86Å; Q321-R324 PolarHBondContact O-N 3.23Å; Q321-K325 WeakPolarHBondContact O-CG 3.38Å; Q321-K325 PolarHBondContact O-N 3.34Å |
| 322 | T | 89.7 | Confident | 89.5 | Confident | 95 Ų | 95 | 81.8 Ų | 81.8 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.2 | -36.5 | -179.9 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | E320 K326 | E320-T322 VanDerWaalsContact C-N 3.25Å; E320-T322 PolarHBondContact O-N 2.79Å; E320-T322 VanDerWaalsContact O-N 3.08Å; T322-K326 WeakPolarHBondContact O-CG 3.22Å; T322-K326 PolarHBondContact O-N 3.36Å |
| 323 | A | 92.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 86.7 Ų | 86.7 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.9 | -43.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E320 Q321 K325 K326 M327 | E320-A323 CarbonylContact O-C 3.59Å; E320-A323 WeakPolarHBondContact O-CA 3.43Å; E320-A323 WeakPolarHBondContact O-CB 3.43Å; E320-A323 PolarHBondContact O-N 2.89Å; Q321-A323 PolarHBondContact O-N 2.86Å; A323-K325 PolarHBondContact O-N 2.72Å; A323-K326 WeakPolarHBondContact O-CB 3.49Å; A323-K326 PolarHBondContact O-N 3.3Å; A323-K326 VanDerWaalsContact O-N 3.15Å; A323-M327 WeakPolarHBondContact O-CG 3.46Å; A323-M327 PolarHBondContact O-N 3.09Å |
| 324 | R | 92.6 | Very high | 90.1 | Very high | 60 Ų | 60 | 86.7 Ų | 86.7 | 23% | 0.226 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 179.4 | -167.9 | 58.5 | 168.8 | 156.1 | -2.5 | 112.2 | H315 E320 Q321 M327 I328 L399 | H315-R324 HydrophobicContact CB-CG 4.11Å; H315-R324 PolarHBondContact CD2-NE 2.96Å; H315-R324 PolarHBondContact CD2-NH2 3.5Å; H315-R324 VanDerWaalsContact CD2-NH2 3.27Å; H315-R324 PolarHBondContact NE2-NH2 3.18Å; E320-R324 PolarHBondContact O-N 3.39Å; Q321-R324 PolarHBondContact O-N 3.23Å; R324-M327 WeakPolarHBondContact O-CB 3.34Å; R324-M327 PolarHBondContact O-N 3.27Å; R324-I328 HydrophobicContact CG-CD1 4.18Å; R324-I328 WeakPolarHBondContact O-CD1 3.48Å; R324-I328 VanDerWaalsContact O-CG1 3.28Å; R324-I328 WeakPolarHBondContact O-CG1 3.48Å; R324-I328 PolarHBondContact O-N 2.77Å; R324-L399 HydrophobicContact CG-CD1 4.29Å |
| 325 | K | 94.2 | Very high | 90.6 | Very high | 38 Ų | 38 | 81.5 Ų | 81.5 | 17% | 0.165 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 173.8 | -72.7 | 178.3 | -177.8 | -179.2 | 0 | 112.1 | Q321 A323 I328 L329 L396 L399 T403 | Q321-K325 WeakPolarHBondContact O-CG 3.38Å; Q321-K325 PolarHBondContact O-N 3.34Å; A323-K325 PolarHBondContact O-N 2.72Å; K325-I328 PolarHBondContact O-N 3.17Å; K325-L329 WeakPolarHBondContact O-CG 3.43Å; K325-L329 PolarHBondContact O-N 2.67Å; K325-L396 HydrophobicContact CB-CD2 4.15Å; K325-L396 HydrophobicContact CG-CD2 4.04Å; K325-L399 HydrophobicContact CG-CB 4.5Å; K325-L399 HydrophobicContact CG-CD1 4.26Å; K325-L399 PolarHBondContact NZ-O 3.46Å; K325-T403 PolarHBondContact NZ-OG1 2.86Å |
| 326 | K | 96 | Very high | 91.4 | Very high | 149 Ų | 149 | 82.2 Ų | 82.2 | 65% | 0.648 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 174.4 | -75.3 | 177.4 | 177.3 | -174.7 | 0 | 112.5 | T322 A323 L329 A330 | T322-K326 WeakPolarHBondContact O-CG 3.22Å; T322-K326 PolarHBondContact O-N 3.36Å; A323-K326 WeakPolarHBondContact O-CB 3.49Å; A323-K326 PolarHBondContact O-N 3.3Å; A323-K326 VanDerWaalsContact O-N 3.15Å; K326-L329 PolarHBondContact O-N 2.95Å; K326-A330 WeakPolarHBondContact O-CB 3.43Å; K326-A330 PolarHBondContact O-N 3.02Å |
| 327 | M | 96.3 | Very high | 92.4 | Very high | 109 Ų | 109 | 83.6 Ų | 83.6 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 174.7 | -66.9 | 174.6 | 78.8 | 0 | 0 | 111.5 | A323 R324 L329 A330 T331 | A323-M327 WeakPolarHBondContact O-CG 3.46Å; A323-M327 PolarHBondContact O-N 3.09Å; R324-M327 WeakPolarHBondContact O-CB 3.34Å; R324-M327 PolarHBondContact O-N 3.27Å; M327-L329 VanDerWaalsContact C-N 3.33Å; M327-L329 PolarHBondContact O-N 3.46Å; M327-A330 PolarHBondContact O-N 3.47Å; M327-T331 PolarHBondContact O-N 3.05Å; M327-T331 PolarHBondContact O-OG1 2.89Å; M327-T331 VanDerWaalsContact O-OG1 3.07Å |
| 328 | I | 97.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 81.4 Ų | 81.4 | 2% | 0.015 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | -179.1 | -65.3 | 161.4 | 0 | 0 | 0 | 111.1 | R324 K325 T331 K332 L392 M395 L396 L399 | R324-I328 HydrophobicContact CG-CD1 4.18Å; R324-I328 WeakPolarHBondContact O-CD1 3.48Å; R324-I328 VanDerWaalsContact O-CG1 3.28Å; R324-I328 WeakPolarHBondContact O-CG1 3.48Å; R324-I328 PolarHBondContact O-N 2.77Å; K325-I328 PolarHBondContact O-N 3.17Å; I328-T331 PolarHBondContact O-N 3.29Å; I328-K332 WeakPolarHBondContact O-CG 3.34Å; I328-K332 PolarHBondContact O-N 3.13Å; I328-L392 HydrophobicContact CG2-CB 4.01Å; I328-L392 HydrophobicContact CG2-CD2 4.1Å; I328-L392 WeakPolarHBondContact CG2-O 3.49Å; I328-M395 HydrophobicContact CD1-CB 4.17Å; I328-M395 HydrophobicContact CD1-CE 3.77Å; I328-M395 HydrophobicContact CG1-CE 3.97Å; I328-L396 HydrophobicContact CB-CD2 4.04Å; I328-L396 HydrophobicContact CB-CG 4.41Å; I328-L396 HydrophobicContact CD1-CD2 4.32Å; I328-L396 HydrophobicContact CG2-CD1 4.04Å; I328-L396 HydrophobicContact CG2-CD2 3.89Å; I328-L396 HydrophobicContact CG2-CG 3.7Å; I328-L399 HydrophobicContact CD1-CD1 3.68Å |
| 329 | L | 98.2 | Very high | 94.6 | Very high | 96 Ų | 96 | 78.2 Ų | 78.2 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 175.4 | -71.4 | 168.2 | 0 | 0 | 0 | 112.1 | K325 K326 M327 K332 Q333 L396 | K325-L329 WeakPolarHBondContact O-CG 3.43Å; K325-L329 PolarHBondContact O-N 2.67Å; K326-L329 PolarHBondContact O-N 2.95Å; M327-L329 VanDerWaalsContact C-N 3.33Å; M327-L329 PolarHBondContact O-N 3.46Å; L329-K332 PolarHBondContact O-N 2.88Å; L329-Q333 PolarHBondContact O-N 3.4Å; L329-L396 HydrophobicContact CD2-CD1 3.71Å; L329-L396 HydrophobicContact CG-CD1 4.21Å; L329-L396 HydrophobicContact CG-CD2 4.48Å |
| 330 | A | 98.4 | Very high | 95.5 | Very high | 52 Ų | 52 | 71.5 Ų | 71.5 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K326 M327 Q333 I334 | K326-A330 WeakPolarHBondContact O-CB 3.43Å; K326-A330 PolarHBondContact O-N 3.02Å; M327-A330 PolarHBondContact O-N 3.47Å; A330-Q333 PolarHBondContact O-N 3.29Å; A330-I334 WeakPolarHBondContact O-CG1 3.21Å; A330-I334 PolarHBondContact O-N 3.1Å; A330-I334 VanDerWaalsContact O-N 3.08Å |
| 331 | T | 98.4 | Very high | 96.1 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 34% | 0.344 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 173.8 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | M327 I328 Q333 I334 C335 F388 L392 | M327-T331 PolarHBondContact O-N 3.05Å; M327-T331 PolarHBondContact O-OG1 2.89Å; M327-T331 VanDerWaalsContact O-OG1 3.07Å; I328-T331 PolarHBondContact O-N 3.29Å; T331-Q333 VanDerWaalsContact C-N 3.31Å; T331-Q333 PolarHBondContact O-N 3.28Å; T331-I334 PolarHBondContact O-N 3.09Å; T331-C335 PolarHBondContact O-N 2.75Å; T331-C335 PolarHBondContact O-SG 3.15Å; T331-F388 HydrophobicContact CG2-CE1 3.95Å; T331-F388 HydrophobicContact CG2-CZ 4.26Å; T331-L392 HydrophobicContact CG2-CD1 3.78Å; T331-L392 HydrophobicContact CG2-CD2 4.44Å |
| 332 | K | 98.1 | Very high | 96.8 | Very high | 53 Ų | 53 | 68.5 Ų | 68.5 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 175.1 | -76 | -173.5 | 63.9 | 174.4 | 0 | 111.8 | I328 L329 C335 K336 L392 S393 L396 | I328-K332 WeakPolarHBondContact O-CG 3.34Å; I328-K332 PolarHBondContact O-N 3.13Å; L329-K332 PolarHBondContact O-N 2.88Å; K332-C335 PolarHBondContact O-N 3.32Å; K332-K336 WeakPolarHBondContact O-CB 3.28Å; K332-K336 PolarHBondContact O-N 2.96Å; K332-L392 HydrophobicContact CD-CB 3.9Å; K332-L392 HydrophobicContact CG-CB 3.57Å; K332-L392 HydrophobicContact CG-CD1 3.66Å; K332-L392 HydrophobicContact CG-CG 4.27Å; K332-S393 PolarHBondContact NZ-OG 2.94Å; K332-L396 HydrophobicContact CD-CD1 4.22Å |
| 333 | Q | 98.4 | Very high | 97.1 | Very high | 104 Ų | 104 | 67.4 Ų | 67.4 | 49% | 0.486 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 178.9 | -178.7 | 58.7 | 28.3 | 0 | 0 | 111.9 | L329 A330 T331 C335 K336 E337 | L329-Q333 PolarHBondContact O-N 3.4Å; A330-Q333 PolarHBondContact O-N 3.29Å; T331-Q333 VanDerWaalsContact C-N 3.31Å; T331-Q333 PolarHBondContact O-N 3.28Å; Q333-C335 VanDerWaalsContact C-N 3.33Å; Q333-C335 PolarHBondContact O-N 3.36Å; Q333-K336 WeakPolarHBondContact O-CB 3.37Å; Q333-K336 PolarHBondContact O-N 2.87Å; Q333-K336 VanDerWaalsContact O-N 3.1Å; Q333-E337 WeakPolarHBondContact CG-OE1 3.28Å; Q333-E337 PolarHBondContact NE2-OE1 3.23Å; Q333-E337 WeakPolarHBondContact O-CG 3.11Å; Q333-E337 PolarHBondContact O-N 3.49Å |
| 334 | I | 98.4 | Very high | 97.2 | Very high | 111 Ų | 111 | 68.2 Ų | 68.2 | 57% | 0.569 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 177.7 | -65.9 | 163.8 | 0 | 0 | 0 | 111.3 | A330 T331 K336 F338 | A330-I334 WeakPolarHBondContact O-CG1 3.21Å; A330-I334 PolarHBondContact O-N 3.1Å; A330-I334 VanDerWaalsContact O-N 3.08Å; T331-I334 PolarHBondContact O-N 3.09Å; I334-K336 VanDerWaalsContact C-N 3.32Å; I334-K336 PolarHBondContact O-N 3.16Å; I334-F338 PolarHBondContact O-N 2.97Å; I334-F338 VanDerWaalsContact O-N 3.12Å |
| 335 | C | 98.2 | Very high | 97.4 | Very high | 15 Ų | 15 | 66.4 Ų | 66.4 | 10% | 0.101 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 174.4 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | T331 K332 Q333 Q339 Q389 | T331-C335 PolarHBondContact O-N 2.75Å; T331-C335 PolarHBondContact O-SG 3.15Å; K332-C335 PolarHBondContact O-N 3.32Å; Q333-C335 VanDerWaalsContact C-N 3.33Å; Q333-C335 PolarHBondContact O-N 3.36Å; C335-Q339 WeakPolarHBondContact O-CG 3.3Å; C335-Q339 PolarHBondContact O-N 2.95Å; C335-Q389 HydrophobicContact CB-CG 3.91Å |
| 336 | K | 97.8 | Very high | 97.5 | Very high | 82 Ų | 82 | 68.4 Ų | 68.4 | 36% | 0.357 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70 | -44.5 | 178.6 | -175.1 | 59.4 | 169.6 | 70.3 | 0 | 111.9 | K332 Q333 I334 F338 Q339 D340 | K332-K336 WeakPolarHBondContact O-CB 3.28Å; K332-K336 PolarHBondContact O-N 2.96Å; Q333-K336 WeakPolarHBondContact O-CB 3.37Å; Q333-K336 PolarHBondContact O-N 2.87Å; Q333-K336 VanDerWaalsContact O-N 3.1Å; I334-K336 VanDerWaalsContact C-N 3.32Å; I334-K336 PolarHBondContact O-N 3.16Å; K336-F338 VanDerWaalsContact C-N 3.3Å; K336-F338 PolarHBondContact O-N 2.93Å; K336-Q339 PolarHBondContact O-N 3.39Å; K336-D340 IonicContact NZ-OD1 3.61Å; K336-D340 PolarHBondContact NZ-OD1 3.48Å; K336-D340 IonicContact NZ-OD2 3.16Å; K336-D340 PolarHBondContact NZ-OD2 2.94Å; K336-D340 WeakPolarHBondContact O-CB 3.37Å; K336-D340 VanDerWaalsContact O-CG 3.26Å; K336-D340 PolarHBondContact O-N 3.06Å |
| 337 | E | 98.4 | Very high | 97.4 | Very high | 105 Ų | 105 | 61.7 Ų | 61.7 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.8 | -42.5 | 174.9 | -73.2 | 167.8 | -166.7 | 0 | 0 | 111.9 | Q333 D340 L341 | Q333-E337 WeakPolarHBondContact CG-OE1 3.28Å; Q333-E337 PolarHBondContact NE2-OE1 3.23Å; Q333-E337 WeakPolarHBondContact O-CG 3.11Å; Q333-E337 PolarHBondContact O-N 3.49Å; E337-D340 PolarHBondContact O-N 3.13Å; E337-L341 PolarHBondContact O-N 3.24Å |
| 338 | F | 98.4 | Very high | 97.1 | Very high | 95 Ų | 95 | 58.4 Ų | 58.4 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 176.6 | -177 | -138.7 | 0 | 0 | 0 | 112.7 | I334 K336 D340 L341 L342 I381 L385 | I334-F338 PolarHBondContact O-N 2.97Å; I334-F338 VanDerWaalsContact O-N 3.12Å; K336-F338 VanDerWaalsContact C-N 3.3Å; K336-F338 PolarHBondContact O-N 2.93Å; F338-D340 VanDerWaalsContact C-N 3.31Å; F338-D340 PolarHBondContact O-N 3.28Å; F338-L341 HydrophobicContact CD2-CD2 4.46Å; F338-L341 PolarHBondContact O-N 2.84Å; F338-L342 HydrophobicContact CD2-CD1 4.41Å; F338-L342 HydrophobicContact CD2-CG 4.28Å; F338-L342 HydrophobicContact CE1-CD1 4.12Å; F338-L342 HydrophobicContact CE2-CD1 4.02Å; F338-L342 HydrophobicContact CE2-CD2 4.07Å; F338-L342 HydrophobicContact CE2-CG 3.97Å; F338-L342 HydrophobicContact CZ-CD1 3.86Å; F338-L342 HydrophobicContact CZ-CD2 4.4Å; F338-L342 HydrophobicContact CZ-CG 4.32Å; F338-L342 WeakPolarHBondContact O-CG 3.39Å; F338-L342 PolarHBondContact O-N 3.49Å; F338-L342 VanDerWaalsContact O-N 3.1Å; F338-I381 HydrophobicContact CE1-CG2 4.13Å; F338-L385 HydrophobicContact CD1-CD1 3.54Å; F338-L385 HydrophobicContact CE1-CD1 3.89Å; F338-L385 HydrophobicContact CG-CD1 4.47Å |
| 339 | Q | 98 | Very high | 96.7 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 11% | 0.107 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60 | -41 | 170.9 | -79.2 | -172.8 | -16.2 | 0 | 0 | 112.4 | C335 K336 L342 S343 C382 L385 S386 | C335-Q339 WeakPolarHBondContact O-CG 3.3Å; C335-Q339 PolarHBondContact O-N 2.95Å; K336-Q339 PolarHBondContact O-N 3.39Å; Q339-L342 PolarHBondContact O-N 3.33Å; Q339-S343 PolarHBondContact O-N 3.31Å; Q339-C382 PolarHBondContact NE2-O 3.28Å; Q339-L385 HydrophobicContact CG-CB 3.87Å; Q339-L385 HydrophobicContact CG-CD1 3.9Å; Q339-L385 VanDerWaalsContact NE2-C 3.33Å; Q339-S386 PolarHBondContact NE2-OG 3.46Å |
| 340 | D | 97.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | -178.2 | -71.9 | -22.4 | 0 | 0 | 0 | 111.5 | K336 E337 F338 S343 Q344 | K336-D340 IonicContact NZ-OD1 3.61Å; K336-D340 PolarHBondContact NZ-OD1 3.48Å; K336-D340 IonicContact NZ-OD2 3.16Å; K336-D340 PolarHBondContact NZ-OD2 2.94Å; K336-D340 WeakPolarHBondContact O-CB 3.37Å; K336-D340 VanDerWaalsContact O-CG 3.26Å; K336-D340 PolarHBondContact O-N 3.06Å; E337-D340 PolarHBondContact O-N 3.13Å; F338-D340 VanDerWaalsContact C-N 3.31Å; F338-D340 PolarHBondContact O-N 3.28Å; D340-S343 PolarHBondContact O-N 3.46Å; D340-S343 PolarHBondContact O-OG 3.43Å; D340-Q344 WeakPolarHBondContact O-CG 3.32Å; D340-Q344 PolarHBondContact O-N 3.11Å; D340-Q344 PolarHBondContact O-NE2 3.18Å |
| 341 | L | 97.9 | Very high | 94.9 | Very high | 65 Ų | 65 | 56.7 Ų | 56.7 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 168.2 | -175.1 | 74.9 | 0 | 0 | 0 | 111.6 | E337 F338 S343 Q344 L358 I362 | E337-L341 PolarHBondContact O-N 3.24Å; F338-L341 HydrophobicContact CD2-CD2 4.46Å; F338-L341 PolarHBondContact O-N 2.84Å; L341-S343 VanDerWaalsContact C-N 3.34Å; L341-S343 PolarHBondContact O-N 2.93Å; L341-Q344 WeakPolarHBondContact O-CB 3.41Å; L341-Q344 PolarHBondContact O-N 3.39Å; L341-Q344 VanDerWaalsContact O-N 3.15Å; L341-L358 HydrophobicContact CD1-CD1 4.44Å; L341-L358 HydrophobicContact CD1-CD2 3.91Å; L341-I362 HydrophobicContact CD1-CG2 4.46Å |
| 342 | L | 97.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -34.1 | -179.6 | -68.4 | 178.4 | 0 | 0 | 0 | 112.7 | F338 Q339 Q344 D345 L366 T378 I381 L385 | F338-L342 HydrophobicContact CD2-CD1 4.41Å; F338-L342 HydrophobicContact CD2-CG 4.28Å; F338-L342 HydrophobicContact CE1-CD1 4.12Å; F338-L342 HydrophobicContact CE2-CD1 4.02Å; F338-L342 HydrophobicContact CE2-CD2 4.07Å; F338-L342 HydrophobicContact CE2-CG 3.97Å; F338-L342 HydrophobicContact CZ-CD1 3.86Å; F338-L342 HydrophobicContact CZ-CD2 4.4Å; F338-L342 HydrophobicContact CZ-CG 4.32Å; F338-L342 WeakPolarHBondContact O-CG 3.39Å; F338-L342 PolarHBondContact O-N 3.49Å; F338-L342 VanDerWaalsContact O-N 3.1Å; Q339-L342 PolarHBondContact O-N 3.33Å; L342-Q344 PolarHBondContact O-N 3.08Å; L342-D345 WeakPolarHBondContact O-CB 3.4Å; L342-D345 PolarHBondContact O-N 3.22Å; L342-L366 HydrophobicContact CD2-CD2 3.76Å; L342-T378 HydrophobicContact CB-CG2 3.89Å; L342-T378 HydrophobicContact CD2-CG2 4.17Å; L342-T378 HydrophobicContact CG-CG2 4.47Å; L342-I381 HydrophobicContact CD1-CB 4.25Å; L342-I381 HydrophobicContact CD1-CG2 3.56Å; L342-L385 HydrophobicContact CD1-CD1 4.48Å |
| 343 | S | 95.7 | Very high | 93.5 | Very high | 71 Ų | 71 | 61 Ų | 61 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -19.8 | 174.8 | 81.7 | 0 | 0 | 0 | 0 | 113.6 | Q339 D340 L341 R346 | Q339-S343 PolarHBondContact O-N 3.31Å; D340-S343 PolarHBondContact O-N 3.46Å; D340-S343 PolarHBondContact O-OG 3.43Å; L341-S343 VanDerWaalsContact C-N 3.34Å; L341-S343 PolarHBondContact O-N 2.93Å; S343-R346 PolarHBondContact O-NH1 3.38Å; S343-R346 PolarHBondContact O-NH2 3.33Å |
| 344 | Q | 95.9 | Very high | 93.1 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 35% | 0.346 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.3 | 177.5 | -70.5 | 171.1 | 83.4 | 0 | 0 | 113.3 | D340 L341 L342 R346 I357 L358 | D340-Q344 WeakPolarHBondContact O-CG 3.32Å; D340-Q344 PolarHBondContact O-N 3.11Å; D340-Q344 PolarHBondContact O-NE2 3.18Å; L341-Q344 WeakPolarHBondContact O-CB 3.41Å; L341-Q344 PolarHBondContact O-N 3.39Å; L341-Q344 VanDerWaalsContact O-N 3.15Å; L342-Q344 PolarHBondContact O-N 3.08Å; Q344-R346 VanDerWaalsContact C-NH1 3.32Å; Q344-R346 WeakPolarHBondContact O-CG 3.25Å; Q344-R346 PolarHBondContact O-N 2.72Å; Q344-R346 PolarHBondContact O-NH1 3.27Å; Q344-I357 HydrophobicContact CB-CD1 3.98Å; Q344-I357 HydrophobicContact CB-CG1 4.33Å; Q344-I357 HydrophobicContact CG-CD1 4.07Å; Q344-L358 HydrophobicContact CB-CD1 3.96Å; Q344-L358 HydrophobicContact CB-CD2 3.76Å; Q344-L358 HydrophobicContact CB-CG 3.86Å |
| 345 | D | 96.1 | Very high | 92.9 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | trans | -56.8 | 122.4 | 173.7 | -176 | 11 | 0 | 0 | 0 | 111.2 | L342 S347 Q363 L366 S370 | L342-D345 WeakPolarHBondContact O-CB 3.4Å; L342-D345 PolarHBondContact O-N 3.22Å; D345-S347 VanDerWaalsContact OD1-CB 3.29Å; D345-S347 WeakPolarHBondContact OD1-CB 3.49Å; D345-S347 PolarHBondContact OD1-N 2.97Å; D345-S347 PolarHBondContact OD1-OG 2.8Å; D345-S347 PolarHBondContact OD2-OG 2.95Å; D345-Q363 PolarHBondContact OD1-NE2 2.97Å; D345-L366 HydrophobicContact CB-CD1 4.26Å; D345-S370 PolarHBondContact OD2-OG 3.06Å | ||
| 346 | R | 95.5 | Very high | 92.6 | Very high | 81 Ų | 81 | 60.9 Ų | 60.9 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | trans | -112 | 39.9 | 174.2 | -59.1 | -58.5 | 169.5 | -104.6 | 0.8 | 111.7 | S343 Q344 P354 T355 I357 | S343-R346 PolarHBondContact O-NH1 3.38Å; S343-R346 PolarHBondContact O-NH2 3.33Å; Q344-R346 VanDerWaalsContact C-NH1 3.32Å; Q344-R346 WeakPolarHBondContact O-CG 3.25Å; Q344-R346 PolarHBondContact O-N 2.72Å; Q344-R346 PolarHBondContact O-NH1 3.27Å; R346-P354 HydrophobicContact CB-CB 4.11Å; R346-P354 HydrophobicContact CB-CG 3.85Å; R346-P354 HydrophobicContact CG-CB 4.44Å; R346-P354 WeakPolarHBondContact O-CG 3.41Å; R346-T355 WeakPolarHBondContact CG-O 3.39Å; R346-I357 HydrophobicContact CG-CD1 4.28Å; R346-I357 HydrophobicContact CG-CG1 3.92Å; R346-I357 HydrophobicContact CG-CG2 4.48Å | ||
| 347 | S | 94.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | trans | -57.5 | 131.8 | 172.8 | -74 | 0 | 0 | 0 | 0 | 112.8 | D345 L349 T367 S370 | D345-S347 VanDerWaalsContact OD1-CB 3.29Å; D345-S347 WeakPolarHBondContact OD1-CB 3.49Å; D345-S347 PolarHBondContact OD1-N 2.97Å; D345-S347 PolarHBondContact OD1-OG 2.8Å; D345-S347 PolarHBondContact OD2-OG 2.95Å; S347-L349 VanDerWaalsContact C-N 3.31Å; S347-L349 PolarHBondContact O-N 2.96Å; S347-T367 VanDerWaalsContact OG-CA 3.24Å; S347-T367 WeakPolarHBondContact OG-CA 3.43Å; S347-S370 VanDerWaalsContact OG-CB 3.25Å; S347-S370 WeakPolarHBondContact OG-CB 3.32Å; S347-S370 PolarHBondContact OG-OG 3.33Å | ||
| 348 | P | 90.8 | Very high | 92.5 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 27% | 0.266 | 32% | 0.316 | S | S | . | . | trans | -77.7 | 74.5 | -179.3 | 31.5 | -36.2 | 0 | 0 | 0 | 112.5 | S352 R353 | P348-S352 WeakPolarHBondContact CA-O 3.43Å; P348-R353 PolarHBondContact O-NH1 3.03Å | ||
| 349 | L | 87.3 | Confident | 92.4 | Very high | 34 Ų | 34 | 59.4 Ų | 59.4 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | trans | -88.4 | 142.9 | 177.9 | -68 | 170.3 | 0 | 0 | 0 | 112 | S347 S351 S352 | S347-L349 VanDerWaalsContact C-N 3.31Å; S347-L349 PolarHBondContact O-N 2.96Å; L349-S351 PolarHBondContact O-N 2.94Å; L349-S352 PolarHBondContact O-N 2.92Å; L349-S352 PolarHBondContact O-OG 3.23Å | ||
| 350 | G | 82.1 | Confident | 92.2 | Very high | 18 Ų | 18 | 64.5 Ų | 64.5 | 19% | 0.186 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | -124.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A222 E284 R353 | A222-G350 VanDerWaalsContact CB-O 3.3Å; A222-G350 WeakPolarHBondContact CB-O 3.46Å; E284-G350 WeakPolarHBondContact OE2-CA 3.48Å; E284-G350 PolarHBondContact OE2-N 3.3Å; G350-R353 PolarHBondContact O-NH1 3.17Å; G350-R353 PolarHBondContact O-NH2 2.92Å |
| 351 | S | 77.3 | Confident | 92.2 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -11.3 | 176.7 | -61.8 | 0 | 0 | 0 | 0 | 114.4 | L349 | L349-S351 PolarHBondContact O-N 2.94Š|
| 352 | S | 81.4 | Confident | 92.2 | Very high | 59 Ų | 59 | 66.4 Ų | 66.4 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | trans | -80 | 136.7 | -173.4 | 80.9 | 0 | 0 | 0 | 0 | 111.5 | P348 L349 P354 | P348-S352 WeakPolarHBondContact CA-O 3.43Å; L349-S352 PolarHBondContact O-N 2.92Å; L349-S352 PolarHBondContact O-OG 3.23Å; S352-P354 VanDerWaalsContact C-CD 3.45Å | ||
| 353 | R | 85.2 | Confident | 92.1 | Very high | 141 Ų | 141 | 66.4 Ų | 66.4 | 53% | 0.532 | 37% | 0.366 | S | S | . | . | trans | -132.4 | 62.2 | 174.5 | -63.4 | -63.7 | 179.1 | -88 | 3.2 | 110 | P348 G350 | P348-R353 PolarHBondContact O-NH1 3.03Å; G350-R353 PolarHBondContact O-NH1 3.17Å; G350-R353 PolarHBondContact O-NH2 2.92Å | ||
| 354 | P | 91.1 | Very high | 92.2 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 150.9 | 178.3 | 30.4 | -35.8 | 0 | 0 | 0 | 111.3 | R346 S352 | R346-P354 HydrophobicContact CB-CB 4.11Å; R346-P354 HydrophobicContact CB-CG 3.85Å; R346-P354 HydrophobicContact CG-CB 4.44Å; R346-P354 WeakPolarHBondContact O-CG 3.41Å; S352-P354 VanDerWaalsContact C-CD 3.45Å |
| 355 | T | 92.6 | Very high | 92.3 | Very high | 115 Ų | 115 | 71.4 Ų | 71.4 | 71% | 0.706 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 135.3 | 169.9 | -46.9 | 0 | 0 | 0 | 0 | 109.8 | R346 | R346-T355 WeakPolarHBondContact CG-O 3.39Š|
| 356 | P | 93.3 | Very high | 92.3 | Very high | 62 Ų | 62 | 71.4 Ų | 71.4 | 40% | 0.403 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 138.1 | 167.4 | -29.4 | 37.9 | 0 | 0 | 0 | 112.6 | L360 Q363 | P356-L360 HydrophobicContact CB-CD2 4.21Å; P356-L360 HydrophobicContact CG-CD2 4.44Å; P356-Q363 HydrophobicContact CB-CG 4.15Å; P356-Q363 HydrophobicContact CG-CG 4.37Å |
| 357 | I | 96.2 | Very high | 92.4 | Very high | 99 Ų | 99 | 68.9 Ų | 68.9 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | trans | -120 | -17 | 172.1 | 65.5 | 177 | 0 | 0 | 0 | 112.9 | Q344 R346 | Q344-I357 HydrophobicContact CB-CD1 3.98Å; Q344-I357 HydrophobicContact CB-CG1 4.33Å; Q344-I357 HydrophobicContact CG-CD1 4.07Å; R346-I357 HydrophobicContact CG-CD1 4.28Å; R346-I357 HydrophobicContact CG-CG1 3.92Å; R346-I357 HydrophobicContact CG-CG2 4.48Å | ||
| 358 | L | 96.4 | Very high | 92.5 | Very high | 23 Ų | 23 | 73.6 Ų | 73.6 | 12% | 0.12 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -90.6 | 158.7 | 172.1 | -65.5 | 173.6 | 0 | 0 | 0 | 110.3 | L341 Q344 L360 I362 Q363 L366 | L341-L358 HydrophobicContact CD1-CD1 4.44Å; L341-L358 HydrophobicContact CD1-CD2 3.91Å; Q344-L358 HydrophobicContact CB-CD1 3.96Å; Q344-L358 HydrophobicContact CB-CD2 3.76Å; Q344-L358 HydrophobicContact CB-CG 3.86Å; L358-L360 PolarHBondContact O-N 3.33Å; L358-I362 HydrophobicContact CD1-CG2 4.39Å; L358-Q363 HydrophobicContact CB-CB 4.36Å; L358-L366 HydrophobicContact CD1-CD1 3.54Å |
| 359 | D | 96.9 | Very high | 92.8 | Very high | 128 Ų | 128 | 75 Ų | 75 | 68% | 0.684 | 39% | 0.392 | S | S | * | . | trans | -48.7 | 136 | 171.4 | -70.1 | -36.9 | 0 | 0 | 0 | 111.5 | D361 I362 Q363 | D359-D361 PolarHBondContact O-N 2.95Å; D359-D361 VanDerWaalsContact O-N 3.12Å; D359-I362 HydrophobicContact CB-CG1 4.35Å; D359-I362 PolarHBondContact O-N 3.24Å; D359-Q363 PolarHBondContact O-N 2.99Å | ||
| 360 | L | 95.1 | Very high | 93.2 | Very high | 131 Ų | 131 | 73.5 Ų | 73.5 | 69% | 0.686 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.7 | -31.2 | -170.6 | -64.4 | 178.6 | 0 | 0 | 0 | 113.1 | P356 L358 R364 | P356-L360 HydrophobicContact CB-CD2 4.21Å; P356-L360 HydrophobicContact CG-CD2 4.44Å; L358-L360 PolarHBondContact O-N 3.33Å; L360-R364 WeakPolarHBondContact O-CB 3.5Å; L360-R364 PolarHBondContact O-N 3.35Å |
| 361 | D | 96.8 | Very high | 93.9 | Very high | 96 Ų | 96 | 73.6 Ų | 73.6 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 172.5 | -76.8 | -61.1 | 0 | 0 | 0 | 112.2 | D359 R364 H365 | D359-D361 PolarHBondContact O-N 2.95Å; D359-D361 VanDerWaalsContact O-N 3.12Å; D361-R364 PolarHBondContact O-N 2.96Å; D361-R364 IonicContact OD1-CZ 2.72Å; D361-R364 IonicContact OD1-NH1 3.75Å; D361-R364 PolarHBondContact OD1-NH1 3.36Å; D361-R364 IonicContact OD1-NH2 2.67Å; D361-R364 PolarHBondContact OD1-NH2 3.48Å; D361-H365 PolarHBondContact O-CE1 2.99Å; D361-H365 PolarHBondContact O-N 3.05Å; D361-H365 PolarHBondContact O-ND1 3.14Å |
| 362 | I | 97.4 | Very high | 94.8 | Very high | 72 Ų | 72 | 72.2 Ų | 72.2 | 37% | 0.369 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.7 | -47.7 | 177.7 | -58.5 | -58.7 | 0 | 0 | 0 | 110.4 | L341 L358 D359 R364 H365 L366 | L341-I362 HydrophobicContact CD1-CG2 4.46Å; L358-I362 HydrophobicContact CD1-CG2 4.39Å; D359-I362 HydrophobicContact CB-CG1 4.35Å; D359-I362 PolarHBondContact O-N 3.24Å; I362-R364 PolarHBondContact O-N 3.01Å; I362-H365 PolarHBondContact O-N 3.23Å; I362-H365 VanDerWaalsContact O-N 3.1Å; I362-L366 HydrophobicContact CG2-CD1 3.98Å; I362-L366 HydrophobicContact CG2-CG 4.35Å; I362-L366 PolarHBondContact O-N 2.76Å |
| 363 | Q | 97.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.9 | -34 | 177.3 | -174.2 | 59.4 | 69.6 | 0 | 0 | 111.7 | D345 P356 L358 D359 T367 | D345-Q363 PolarHBondContact OD1-NE2 2.97Å; P356-Q363 HydrophobicContact CB-CG 4.15Å; P356-Q363 HydrophobicContact CG-CG 4.37Å; L358-Q363 HydrophobicContact CB-CB 4.36Å; D359-Q363 PolarHBondContact O-N 2.99Å; Q363-T367 PolarHBondContact NE2-OG1 2.78Å; Q363-T367 VanDerWaalsContact NE2-OG1 3.11Å; Q363-T367 WeakPolarHBondContact O-CB 3.49Å; Q363-T367 PolarHBondContact O-N 3.2Å; Q363-T367 PolarHBondContact O-OG1 3.04Å |
| 364 | R | 96.6 | Very high | 96 | Very high | 133 Ų | 133 | 63.2 Ų | 63.2 | 50% | 0.502 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.5 | -178 | -179.3 | 66.5 | -116.5 | -4.2 | 112.1 | L360 D361 I362 T367 H368 | L360-R364 WeakPolarHBondContact O-CB 3.5Å; L360-R364 PolarHBondContact O-N 3.35Å; D361-R364 PolarHBondContact O-N 2.96Å; D361-R364 IonicContact OD1-CZ 2.72Å; D361-R364 IonicContact OD1-NH1 3.75Å; D361-R364 PolarHBondContact OD1-NH1 3.36Å; D361-R364 IonicContact OD1-NH2 2.67Å; D361-R364 PolarHBondContact OD1-NH2 3.48Å; I362-R364 PolarHBondContact O-N 3.01Å; R364-T367 PolarHBondContact O-N 3.05Å; R364-H368 PolarHBondContact O-N 2.94Å |
| 365 | H | 97.4 | Very high | 96.2 | Very high | 117 Ų | 117 | 60.9 Ų | 60.9 | 54% | 0.542 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.7 | -43.1 | 179.4 | -62 | 110.3 | 0 | 0 | 0 | 112.2 | D361 I362 T367 H368 F369 | D361-H365 PolarHBondContact O-CE1 2.99Å; D361-H365 PolarHBondContact O-N 3.05Å; D361-H365 PolarHBondContact O-ND1 3.14Å; I362-H365 PolarHBondContact O-N 3.23Å; I362-H365 VanDerWaalsContact O-N 3.1Å; H365-T367 VanDerWaalsContact C-N 3.32Å; H365-T367 PolarHBondContact O-N 2.65Å; H365-H368 WeakPolarHBondContact O-CB 3.4Å; H365-H368 PolarHBondContact O-N 3.04Å; H365-F369 PolarHBondContact O-N 3.19Å; H365-F369 VanDerWaalsContact O-N 3.09Å |
| 366 | L | 97.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 172.8 | -67.2 | 176.5 | 0 | 0 | 0 | 111.1 | L342 D345 L358 I362 H368 F369 S370 | L342-L366 HydrophobicContact CD2-CD2 3.76Å; D345-L366 HydrophobicContact CB-CD1 4.26Å; L358-L366 HydrophobicContact CD1-CD1 3.54Å; I362-L366 HydrophobicContact CG2-CD1 3.98Å; I362-L366 HydrophobicContact CG2-CG 4.35Å; I362-L366 PolarHBondContact O-N 2.76Å; L366-H368 PolarHBondContact O-N 2.95Å; L366-F369 PolarHBondContact O-N 3.3Å; L366-S370 WeakPolarHBondContact O-CB 3.43Å; L366-S370 PolarHBondContact O-N 3.11Å; L366-S370 PolarHBondContact O-OG 3Å |
| 367 | T | 96.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -48.3 | 173.1 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | S347 Q363 R364 H365 F369 S370 L371 | S347-T367 VanDerWaalsContact OG-CA 3.24Å; S347-T367 WeakPolarHBondContact OG-CA 3.43Å; Q363-T367 PolarHBondContact NE2-OG1 2.78Å; Q363-T367 VanDerWaalsContact NE2-OG1 3.11Å; Q363-T367 WeakPolarHBondContact O-CB 3.49Å; Q363-T367 PolarHBondContact O-N 3.2Å; Q363-T367 PolarHBondContact O-OG1 3.04Å; R364-T367 PolarHBondContact O-N 3.05Å; H365-T367 VanDerWaalsContact C-N 3.32Å; H365-T367 PolarHBondContact O-N 2.65Å; T367-F369 VanDerWaalsContact C-N 3.27Å; T367-F369 PolarHBondContact O-N 3.13Å; T367-S370 PolarHBondContact O-N 3.08Å; T367-L371 HydrophobicContact CG2-CD1 3.58Å; T367-L371 HydrophobicContact CG2-CD2 4.37Å; T367-L371 HydrophobicContact CG2-CG 3.83Å; T367-L371 WeakPolarHBondContact O-CB 3.43Å; T367-L371 WeakPolarHBondContact O-CG 3.32Å; T367-L371 PolarHBondContact O-N 2.82Å |
| 368 | H | 96.4 | Very high | 96.7 | Very high | 107 Ų | 107 | 50.3 Ų | 50.3 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.8 | -44.4 | 177.3 | -175.7 | -112.3 | 0 | 0 | 0 | 112.4 | P231 R364 H365 L366 I372 | P231-H368 WeakPolarHBondContact CB-NE2 3.46Å; R364-H368 PolarHBondContact O-N 2.94Å; H365-H368 WeakPolarHBondContact O-CB 3.4Å; H365-H368 PolarHBondContact O-N 3.04Å; L366-H368 PolarHBondContact O-N 2.95Å; H368-I372 WeakPolarHBondContact O-CB 3.43Å; H368-I372 WeakPolarHBondContact O-CG2 3.48Å; H368-I372 PolarHBondContact O-N 3.2Å; H368-I372 VanDerWaalsContact O-N 3.11Å |
| 369 | F | 97.4 | Very high | 96.8 | Very high | 70 Ų | 70 | 52 Ų | 52 | 31% | 0.307 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.6 | -47.7 | 177.8 | -179.7 | -115.2 | 0 | 0 | 0 | 113.2 | H365 L366 T367 L371 I372 T373 G377 I381 | H365-F369 PolarHBondContact O-N 3.19Å; H365-F369 VanDerWaalsContact O-N 3.09Å; L366-F369 PolarHBondContact O-N 3.3Å; T367-F369 VanDerWaalsContact C-N 3.27Å; T367-F369 PolarHBondContact O-N 3.13Å; F369-L371 PolarHBondContact O-N 3.46Å; F369-I372 WeakPolarHBondContact O-CG2 3.39Å; F369-I372 PolarHBondContact O-N 2.99Å; F369-T373 HydrophobicContact CD2-CG2 3.92Å; F369-T373 HydrophobicContact CE2-CG2 3.64Å; F369-T373 HydrophobicContact CZ-CG2 4.06Å; F369-T373 WeakPolarHBondContact O-CB 3.45Å; F369-T373 WeakPolarHBondContact O-CG2 3.25Å; F369-T373 PolarHBondContact O-N 3.09Å; F369-T373 PolarHBondContact O-OG1 2.95Å; F369-G377 VanDerWaalsContact CE1-C 3.43Å; F369-I381 HydrophobicContact CE1-CD1 3.72Å; F369-I381 HydrophobicContact CZ-CD1 3.62Å |
| 370 | S | 96.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 178 | -78.9 | 0 | 0 | 0 | 0 | 112 | D345 S347 L366 T367 H374 G375 T378 | D345-S370 PolarHBondContact OD2-OG 3.06Å; S347-S370 VanDerWaalsContact OG-CB 3.25Å; S347-S370 WeakPolarHBondContact OG-CB 3.32Å; S347-S370 PolarHBondContact OG-OG 3.33Å; L366-S370 WeakPolarHBondContact O-CB 3.43Å; L366-S370 PolarHBondContact O-N 3.11Å; L366-S370 PolarHBondContact O-OG 3Å; T367-S370 PolarHBondContact O-N 3.08Å; S370-H374 WeakPolarHBondContact O-CA 3.18Å; S370-H374 PolarHBondContact O-N 3.44Å; S370-G375 PolarHBondContact O-N 3.02Å; S370-T378 PolarHBondContact OG-OG1 2.88Å |
| 371 | L | 95.6 | Very high | 97.1 | Very high | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 175.9 | -59.6 | 174.6 | 0 | 0 | 0 | 111.8 | R226 P231 T367 F369 H374 | R226-L371 HydrophobicContact CG-CD2 3.93Å; R226-L371 PolarHBondContact NH1-O 3.09Å; R226-L371 VanDerWaalsContact NH1-O 3.17Å; P231-L371 HydrophobicContact CG-CB 4.21Å; T367-L371 HydrophobicContact CG2-CD1 3.58Å; T367-L371 HydrophobicContact CG2-CD2 4.37Å; T367-L371 HydrophobicContact CG2-CG 3.83Å; T367-L371 WeakPolarHBondContact O-CB 3.43Å; T367-L371 WeakPolarHBondContact O-CG 3.32Å; T367-L371 PolarHBondContact O-N 2.82Å; F369-L371 PolarHBondContact O-N 3.46Å; L371-H374 PolarHBondContact O-N 2.9Å; L371-H374 PolarHBondContact O-ND1 2.91Å |
| 372 | I | 95.6 | Very high | 97.1 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 17% | 0.174 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.8 | -25.4 | -177 | -157.9 | 63.5 | 0 | 0 | 0 | 113.5 | P231 E232 A274 H368 F369 | P231-I372 HydrophobicContact CG-CB 4.47Å; P231-I372 HydrophobicContact CG-CD1 4.34Å; E232-I372 HydrophobicContact CG-CD1 3.73Å; A274-I372 HydrophobicContact CB-CD1 3.77Å; H368-I372 WeakPolarHBondContact O-CB 3.43Å; H368-I372 WeakPolarHBondContact O-CG2 3.48Å; H368-I372 PolarHBondContact O-N 3.2Å; H368-I372 VanDerWaalsContact O-N 3.11Å; F369-I372 WeakPolarHBondContact O-CG2 3.39Å; F369-I372 PolarHBondContact O-N 2.99Å |
| 373 | T | 96.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -1.6 | 171.5 | 63 | 0 | 0 | 0 | 0 | 113.5 | L279 F369 G375 F376 G377 | L279-T373 HydrophobicContact CD1-CG2 3.86Å; F369-T373 HydrophobicContact CD2-CG2 3.92Å; F369-T373 HydrophobicContact CE2-CG2 3.64Å; F369-T373 HydrophobicContact CZ-CG2 4.06Å; F369-T373 WeakPolarHBondContact O-CB 3.45Å; F369-T373 WeakPolarHBondContact O-CG2 3.25Å; F369-T373 PolarHBondContact O-N 3.09Å; F369-T373 PolarHBondContact O-OG1 2.95Å; T373-G375 PolarHBondContact O-N 3.09Å; T373-F376 WeakPolarHBondContact O-CB 3.47Å; T373-F376 PolarHBondContact O-N 2.78Å; T373-F376 VanDerWaalsContact O-N 3.09Å; T373-G377 PolarHBondContact OG1-N 3.47Å; T373-G377 VanDerWaalsContact OG1-N 3.1Å |
| 374 | H | 96.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 33.6 | -179.7 | -48.1 | -19.8 | 0 | 0 | 0 | 113.3 | R226 R227 E232 L279 E284 A287 S370 L371 | R226-H374 PolarHBondContact NH2-ND1 3.4Å; R227-H374 PolarHBondContact NH2-NE2 3.14Å; E232-H374 IonicContact OE1-CE1 2.8Å; E232-H374 IonicContact OE2-CE1 2.97Å; E232-H374 PolarHBondContact OE2-CE1 3.03Å; E232-H374 IonicContact OE2-ND1 2.66Å; L279-H374 PolarHBondContact O-CD2 3.46Å; L279-H374 VanDerWaalsContact O-CD2 3.23Å; L279-H374 PolarHBondContact O-NE2 2.79Å; E284-H374 HydrophobicContact CG-CB 3.9Å; A287-H374 HydrophobicContact CB-CB 3.9Å; A287-H374 WeakPolarHBondContact CB-O 3.38Å; S370-H374 WeakPolarHBondContact O-CA 3.18Å; S370-H374 PolarHBondContact O-N 3.44Å; L371-H374 PolarHBondContact O-N 2.9Å; L371-H374 PolarHBondContact O-ND1 2.91Å |
| 375 | G | 95.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -4.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | S370 T373 P379 | S370-G375 PolarHBondContact O-N 3.02Å; T373-G375 PolarHBondContact O-N 3.09Å; G375-P379 VanDerWaalsContact O-CD 3.22Å; G375-P379 WeakPolarHBondContact O-CD 3.33Å; G375-P379 WeakPolarHBondContact O-CG 3.26Å |
| 376 | F | 97.9 | Very high | 97.4 | Very high | 41 Ų | 41 | 31.2 Ų | 31.2 | 18% | 0.18 | 18% | 0.18 | C | C | . | . | trans | -71.1 | -39.3 | 176.8 | 171.4 | -95.2 | 0 | 0 | 0 | 113.2 | L279 A287 L290 A291 T373 P379 A380 | L279-F376 HydrophobicContact CD1-CD1 4.45Å; L279-F376 HydrophobicContact CD2-CD1 4.1Å; L279-F376 HydrophobicContact CD2-CG 4.41Å; A287-F376 HydrophobicContact CB-CB 4.16Å; L290-F376 HydrophobicContact CB-CD2 4.29Å; L290-F376 HydrophobicContact CD2-CD2 4.07Å; L290-F376 HydrophobicContact CD2-CE2 4.02Å; L290-F376 HydrophobicContact CG-CD2 4.01Å; L290-F376 HydrophobicContact CG-CE2 3.81Å; A291-F376 HydrophobicContact CB-CD2 3.72Å; A291-F376 HydrophobicContact CB-CE2 4.31Å; A291-F376 HydrophobicContact CB-CG 4.49Å; T373-F376 WeakPolarHBondContact O-CB 3.47Å; T373-F376 PolarHBondContact O-N 2.78Å; T373-F376 VanDerWaalsContact O-N 3.09Å; F376-P379 WeakPolarHBondContact O-CD 3.38Å; F376-A380 HydrophobicContact CD1-CB 4.21Å; F376-A380 HydrophobicContact CE1-CB 3.69Å; F376-A380 HydrophobicContact CE2-CB 4.02Å; F376-A380 HydrophobicContact CZ-CB 3.57Å; F376-A380 VanDerWaalsContact O-CB 3.3Å; F376-A380 WeakPolarHBondContact O-CB 3.16Å; F376-A380 PolarHBondContact O-N 3.33Å; F376-A380 VanDerWaalsContact O-N 3.16Å | ||
| 377 | G | 97.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -54.2 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F369 T373 A380 I381 | F369-G377 VanDerWaalsContact CE1-C 3.43Å; T373-G377 PolarHBondContact OG1-N 3.47Å; T373-G377 VanDerWaalsContact OG1-N 3.1Å; G377-A380 PolarHBondContact O-N 2.97Å; G377-I381 WeakPolarHBondContact O-CG1 3.48Å; G377-I381 PolarHBondContact O-N 3.47Å |
| 378 | T | 97.6 | Very high | 97.5 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | -174.8 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | L342 S370 A380 I381 C382 | L342-T378 HydrophobicContact CB-CG2 3.89Å; L342-T378 HydrophobicContact CD2-CG2 4.17Å; L342-T378 HydrophobicContact CG-CG2 4.47Å; S370-T378 PolarHBondContact OG-OG1 2.88Å; T378-A380 PolarHBondContact O-N 3.04Å; T378-I381 PolarHBondContact O-N 3.27Å; T378-C382 PolarHBondContact O-N 2.68Å; T378-C382 PolarHBondContact O-SG 3.31Å; T378-C382 VanDerWaalsContact O-SG 3.37Å |
| 379 | P | 97.8 | Very high | 97.6 | Very high | 58 Ų | 58 | 30.1 Ų | 30.1 | 38% | 0.377 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.1 | -37.3 | 174.4 | -22.2 | 33.7 | 0 | 0 | 0 | 113.9 | A291 G375 F376 C382 A383 | A291-P379 HydrophobicContact CB-CB 4.18Å; G375-P379 VanDerWaalsContact O-CD 3.22Å; G375-P379 WeakPolarHBondContact O-CD 3.33Å; G375-P379 WeakPolarHBondContact O-CG 3.26Å; F376-P379 WeakPolarHBondContact O-CD 3.38Å; P379-C382 PolarHBondContact O-N 2.93Å; P379-A383 WeakPolarHBondContact O-CB 3.48Å; P379-A383 PolarHBondContact O-N 3.08Å |
| 380 | A | 98.4 | Very high | 97.7 | Very high | 11 Ų | 11 | 30.1 Ų | 30.1 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F294 F376 G377 T378 A384 | F294-A380 HydrophobicContact CD1-CB 3.99Å; F294-A380 HydrophobicContact CE1-CB 4.06Å; F376-A380 HydrophobicContact CD1-CB 4.21Å; F376-A380 HydrophobicContact CE1-CB 3.69Å; F376-A380 HydrophobicContact CE2-CB 4.02Å; F376-A380 HydrophobicContact CZ-CB 3.57Å; F376-A380 VanDerWaalsContact O-CB 3.3Å; F376-A380 WeakPolarHBondContact O-CB 3.16Å; F376-A380 PolarHBondContact O-N 3.33Å; F376-A380 VanDerWaalsContact O-N 3.16Å; G377-A380 PolarHBondContact O-N 2.97Å; T378-A380 PolarHBondContact O-N 3.04Å; A380-A384 PolarHBondContact O-N 3.46Å; A380-A384 VanDerWaalsContact O-N 3.1Å |
| 381 | I | 98.5 | Very high | 97.7 | Very high | 60 Ų | 60 | 30.3 Ų | 30.3 | 31% | 0.308 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.6 | -45.6 | 172.2 | -67.6 | 172.3 | 0 | 0 | 0 | 110.3 | F338 L342 F369 G377 T378 A383 A384 L385 | F338-I381 HydrophobicContact CE1-CG2 4.13Å; L342-I381 HydrophobicContact CD1-CB 4.25Å; L342-I381 HydrophobicContact CD1-CG2 3.56Å; F369-I381 HydrophobicContact CE1-CD1 3.72Å; F369-I381 HydrophobicContact CZ-CD1 3.62Å; G377-I381 WeakPolarHBondContact O-CG1 3.48Å; G377-I381 PolarHBondContact O-N 3.47Å; T378-I381 PolarHBondContact O-N 3.27Å; I381-A383 PolarHBondContact O-N 2.86Å; I381-A384 PolarHBondContact O-N 3.41Å; I381-L385 HydrophobicContact CG2-CD1 3.74Å; I381-L385 HydrophobicContact CG2-CG 4.31Å; I381-L385 WeakPolarHBondContact O-CB 3.41Å; I381-L385 VanDerWaalsContact O-CG 3.31Å; I381-L385 WeakPolarHBondContact O-CG 3.39Å; I381-L385 PolarHBondContact O-N 2.93Å |
| 382 | C | 98.4 | Very high | 97.9 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 177.3 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | Q339 T378 P379 L385 S386 | Q339-C382 PolarHBondContact NE2-O 3.28Å; T378-C382 PolarHBondContact O-N 2.68Å; T378-C382 PolarHBondContact O-SG 3.31Å; T378-C382 VanDerWaalsContact O-SG 3.37Å; P379-C382 PolarHBondContact O-N 2.93Å; C382-L385 PolarHBondContact O-N 2.86Å; C382-S386 PolarHBondContact O-N 3.26Å; C382-S386 PolarHBondContact O-OG 3.32Å |
| 383 | A | 98.5 | Very high | 98 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 12% | 0.124 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.7 | -52 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | F294 C298 P379 I381 L385 S386 T387 | F294-A383 HydrophobicContact CD1-CB 4.34Å; F294-A383 HydrophobicContact CE1-CB 4.3Å; C298-A383 HydrophobicContact CB-CB 4.49Å; P379-A383 WeakPolarHBondContact O-CB 3.48Å; P379-A383 PolarHBondContact O-N 3.08Å; I381-A383 PolarHBondContact O-N 2.86Å; A383-L385 VanDerWaalsContact C-N 3.31Å; A383-L385 PolarHBondContact O-N 2.96Å; A383-S386 WeakPolarHBondContact O-CB 3.42Å; A383-S386 PolarHBondContact O-N 3.11Å; A383-T387 PolarHBondContact O-N 3.33Å; A383-T387 PolarHBondContact O-OG1 3.08Å |
| 384 | A | 98.5 | Very high | 98.1 | Very high | 49 Ų | 49 | 30.8 Ų | 30.8 | 41% | 0.405 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.1 | -39.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A380 I381 F388 | A380-A384 PolarHBondContact O-N 3.46Å; A380-A384 VanDerWaalsContact O-N 3.1Å; I381-A384 PolarHBondContact O-N 3.41Å; A384-F388 WeakPolarHBondContact O-CB 3.24Å; A384-F388 PolarHBondContact O-N 2.89Å |
| 385 | L | 98.4 | Very high | 98.1 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67 | -33 | 174.1 | -71.7 | 170.7 | 0 | 0 | 0 | 112.8 | F338 Q339 L342 I381 C382 A383 F388 Q389 | F338-L385 HydrophobicContact CD1-CD1 3.54Å; F338-L385 HydrophobicContact CE1-CD1 3.89Å; F338-L385 HydrophobicContact CG-CD1 4.47Å; Q339-L385 HydrophobicContact CG-CB 3.87Å; Q339-L385 HydrophobicContact CG-CD1 3.9Å; Q339-L385 VanDerWaalsContact NE2-C 3.33Å; L342-L385 HydrophobicContact CD1-CD1 4.48Å; I381-L385 HydrophobicContact CG2-CD1 3.74Å; I381-L385 HydrophobicContact CG2-CG 4.31Å; I381-L385 WeakPolarHBondContact O-CB 3.41Å; I381-L385 VanDerWaalsContact O-CG 3.31Å; I381-L385 WeakPolarHBondContact O-CG 3.39Å; I381-L385 PolarHBondContact O-N 2.93Å; C382-L385 PolarHBondContact O-N 2.86Å; A383-L385 VanDerWaalsContact C-N 3.31Å; A383-L385 PolarHBondContact O-N 2.96Å; L385-F388 PolarHBondContact O-N 2.91Å; L385-Q389 WeakPolarHBondContact O-CG 3.27Å; L385-Q389 PolarHBondContact O-N 3.41Å |
| 386 | S | 98.4 | Very high | 98.1 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 38% | 0.378 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69.9 | -47 | 176.4 | -72.4 | 0 | 0 | 0 | 0 | 110.7 | Q339 C382 A383 F388 Q389 T390 | Q339-S386 PolarHBondContact NE2-OG 3.46Å; C382-S386 PolarHBondContact O-N 3.26Å; C382-S386 PolarHBondContact O-OG 3.32Å; A383-S386 WeakPolarHBondContact O-CB 3.42Å; A383-S386 PolarHBondContact O-N 3.11Å; S386-F388 VanDerWaalsContact C-N 3.26Å; S386-F388 PolarHBondContact O-N 2.96Å; S386-Q389 CarbonylContact O-C 3.39Å; S386-Q389 PolarHBondContact O-N 3.24Å; S386-Q389 VanDerWaalsContact O-N 3.08Å; S386-T390 PolarHBondContact O-N 2.72Å; S386-T390 PolarHBondContact O-OG1 2.82Å |
| 387 | T | 98.6 | Very high | 98 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 9% | 0.092 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.2 | -41.4 | 172.7 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | C298 F302 A383 T390 V391 | C298-T387 WeakPolarHBondContact CB-OG1 3.47Å; C298-T387 PolarHBondContact O-OG1 3.07Å; F302-T387 HydrophobicContact CB-CG2 3.8Å; F302-T387 HydrophobicContact CD1-CG2 3.17Å; F302-T387 HydrophobicContact CD2-CG2 4.05Å; F302-T387 HydrophobicContact CE1-CG2 3.69Å; F302-T387 HydrophobicContact CE2-CG2 4.47Å; F302-T387 HydrophobicContact CG-CG2 3.37Å; F302-T387 HydrophobicContact CZ-CG2 4.32Å; A383-T387 PolarHBondContact O-N 3.33Å; A383-T387 PolarHBondContact O-OG1 3.08Å; T387-T390 WeakPolarHBondContact O-CB 3.48Å; T387-T390 PolarHBondContact O-N 2.89Å; T387-V391 WeakPolarHBondContact O-CG2 3.32Å; T387-V391 PolarHBondContact O-N 2.83Å |
| 388 | F | 98.6 | Very high | 97.8 | Very high | 88 Ų | 88 | 33.6 Ų | 33.6 | 39% | 0.386 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.5 | -40.4 | 174.7 | -176.6 | -123.2 | 0 | 0 | 0 | 112.8 | T331 A384 L385 S386 T390 V391 L392 | T331-F388 HydrophobicContact CG2-CE1 3.95Å; T331-F388 HydrophobicContact CG2-CZ 4.26Å; A384-F388 WeakPolarHBondContact O-CB 3.24Å; A384-F388 PolarHBondContact O-N 2.89Å; L385-F388 PolarHBondContact O-N 2.91Å; S386-F388 VanDerWaalsContact C-N 3.26Å; S386-F388 PolarHBondContact O-N 2.96Å; F388-T390 VanDerWaalsContact C-N 3.27Å; F388-T390 PolarHBondContact O-N 2.84Å; F388-V391 WeakPolarHBondContact O-CB 3.33Å; F388-V391 PolarHBondContact O-N 2.98Å; F388-L392 HydrophobicContact CD1-CD1 3.97Å; F388-L392 HydrophobicContact CE1-CD1 3.67Å; F388-L392 HydrophobicContact CE1-CG 4.25Å; F388-L392 HydrophobicContact CE2-CD2 4.22Å; F388-L392 HydrophobicContact CE2-CG 4.21Å; F388-L392 HydrophobicContact CZ-CD1 3.95Å; F388-L392 HydrophobicContact CZ-CD2 3.98Å; F388-L392 HydrophobicContact CZ-CG 4.08Å; F388-L392 WeakPolarHBondContact O-CG 3.16Å; F388-L392 PolarHBondContact O-N 2.9Å |
| 389 | Q | 98.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -32.5 | 171.7 | -78.8 | -174.2 | 84.2 | 0 | 0 | 112.8 | C335 L385 S386 S393 | C335-Q389 HydrophobicContact CB-CG 3.91Å; L385-Q389 WeakPolarHBondContact O-CG 3.27Å; L385-Q389 PolarHBondContact O-N 3.41Å; S386-Q389 CarbonylContact O-C 3.39Å; S386-Q389 PolarHBondContact O-N 3.24Å; S386-Q389 VanDerWaalsContact O-N 3.08Å; Q389-S393 WeakPolarHBondContact O-CB 3.5Å; Q389-S393 PolarHBondContact O-N 3.06Å; Q389-S393 PolarHBondContact O-OG 2.96Å |
| 390 | T | 98.4 | Very high | 97.2 | Very high | 69 Ų | 69 | 35.2 Ų | 35.2 | 42% | 0.423 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.3 | -45.2 | 171.4 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | A304 S386 T387 F388 L392 S393 E394 | A304-T390 HydrophobicContact CB-CG2 3.66Å; S386-T390 PolarHBondContact O-N 2.72Å; S386-T390 PolarHBondContact O-OG1 2.82Å; T387-T390 WeakPolarHBondContact O-CB 3.48Å; T387-T390 PolarHBondContact O-N 2.89Å; F388-T390 VanDerWaalsContact C-N 3.27Å; F388-T390 PolarHBondContact O-N 2.84Å; T390-L392 PolarHBondContact O-N 3.18Å; T390-S393 WeakPolarHBondContact O-CA 3.3Å; T390-S393 WeakPolarHBondContact O-CB 3.44Å; T390-S393 PolarHBondContact O-N 3.37Å; T390-E394 PolarHBondContact O-N 3.28Å |
| 391 | V | 98.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.2 | -47.4 | 173 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | F302 A304 V307 I311 T387 F388 S393 E394 M395 | F302-V391 HydrophobicContact CE1-CG2 3.75Å; A304-V391 HydrophobicContact CB-CG2 3.95Å; V307-V391 HydrophobicContact CB-CG2 4.42Å; V307-V391 HydrophobicContact CG1-CG1 3.98Å; V307-V391 HydrophobicContact CG1-CG2 4.26Å; I311-V391 HydrophobicContact CD1-CG1 4.23Å; T387-V391 WeakPolarHBondContact O-CG2 3.32Å; T387-V391 PolarHBondContact O-N 2.83Å; F388-V391 WeakPolarHBondContact O-CB 3.33Å; F388-V391 PolarHBondContact O-N 2.98Å; V391-S393 PolarHBondContact O-N 3.01Å; V391-E394 PolarHBondContact O-N 2.82Å; V391-M395 HydrophobicContact CG1-SD 4.34Å; V391-M395 WeakPolarHBondContact O-CG 3.49Å; V391-M395 PolarHBondContact O-N 3.32Å |
| 392 | L | 98.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -28.7 | 176.8 | -66.4 | 172.4 | 0 | 0 | 0 | 112.6 | I328 T331 K332 F388 T390 M395 L396 | I328-L392 HydrophobicContact CG2-CB 4.01Å; I328-L392 HydrophobicContact CG2-CD2 4.1Å; I328-L392 WeakPolarHBondContact CG2-O 3.49Å; T331-L392 HydrophobicContact CG2-CD1 3.78Å; T331-L392 HydrophobicContact CG2-CD2 4.44Å; K332-L392 HydrophobicContact CD-CB 3.9Å; K332-L392 HydrophobicContact CG-CB 3.57Å; K332-L392 HydrophobicContact CG-CD1 3.66Å; K332-L392 HydrophobicContact CG-CG 4.27Å; F388-L392 HydrophobicContact CD1-CD1 3.97Å; F388-L392 HydrophobicContact CE1-CD1 3.67Å; F388-L392 HydrophobicContact CE1-CG 4.25Å; F388-L392 HydrophobicContact CE2-CD2 4.22Å; F388-L392 HydrophobicContact CE2-CG 4.21Å; F388-L392 HydrophobicContact CZ-CD1 3.95Å; F388-L392 HydrophobicContact CZ-CD2 3.98Å; F388-L392 HydrophobicContact CZ-CG 4.08Å; F388-L392 WeakPolarHBondContact O-CG 3.16Å; F388-L392 PolarHBondContact O-N 2.9Å; T390-L392 PolarHBondContact O-N 3.18Å; L392-M395 HydrophobicContact CD2-SD 4.03Å; L392-L396 WeakPolarHBondContact O-CG 3.5Å; L392-L396 PolarHBondContact O-N 3Å |
| 393 | S | 98.3 | Very high | 94.7 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 20% | 0.203 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.4 | -44 | 174.5 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | K332 Q389 T390 V391 M395 L396 N397 | K332-S393 PolarHBondContact NZ-OG 2.94Å; Q389-S393 WeakPolarHBondContact O-CB 3.5Å; Q389-S393 PolarHBondContact O-N 3.06Å; Q389-S393 PolarHBondContact O-OG 2.96Å; T390-S393 WeakPolarHBondContact O-CA 3.3Å; T390-S393 WeakPolarHBondContact O-CB 3.44Å; T390-S393 PolarHBondContact O-N 3.37Å; V391-S393 PolarHBondContact O-N 3.01Å; S393-M395 VanDerWaalsContact C-N 3.28Å; S393-M395 PolarHBondContact O-N 2.91Å; S393-L396 WeakPolarHBondContact O-CB 3.46Å; S393-L396 PolarHBondContact O-N 3.43Å; S393-L396 VanDerWaalsContact O-N 3.1Å; S393-N397 PolarHBondContact O-N 3.3Å; S393-N397 PolarHBondContact O-ND2 3.06Å; S393-N397 PolarHBondContact O-OD1 3.24Å |
| 394 | E | 97.9 | Very high | 92.8 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67 | -30 | 176.2 | -69.8 | -61.2 | 123.1 | 0 | 0 | 112.5 | K305 T390 V391 N397 Y398 | K305-E394 HydrophobicContact CB-CG 3.98Å; K305-E394 HydrophobicContact CG-CG 4.44Å; K305-E394 WeakPolarHBondContact CG-OE2 3.39Å; T390-E394 PolarHBondContact O-N 3.28Å; V391-E394 PolarHBondContact O-N 2.82Å; E394-N397 PolarHBondContact O-N 3.13Å; E394-N397 PolarHBondContact OE1-ND2 2.85Å; E394-Y398 WeakPolarHBondContact O-CB 3.46Å; E394-Y398 PolarHBondContact O-N 3.01Å |
| 395 | M | 96.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 51 Ų | 51 | 4% | 0.044 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 166.8 | -72.9 | 171.5 | 65.4 | 0 | 0 | 111.9 | G308 I311 A312 I328 V391 L392 S393 Y398 L399 | G308-M395 WeakPolarHBondContact O-CG 3.29Å; I311-M395 HydrophobicContact CB-CE 4.37Å; I311-M395 HydrophobicContact CB-CG 4.49Å; I311-M395 HydrophobicContact CB-SD 4.2Å; I311-M395 HydrophobicContact CG2-CE 3.65Å; I311-M395 HydrophobicContact CG2-SD 3.98Å; A312-M395 HydrophobicContact CB-CB 4.31Å; A312-M395 HydrophobicContact CB-CG 4.3Å; I328-M395 HydrophobicContact CD1-CB 4.17Å; I328-M395 HydrophobicContact CD1-CE 3.77Å; I328-M395 HydrophobicContact CG1-CE 3.97Å; V391-M395 HydrophobicContact CG1-SD 4.34Å; V391-M395 WeakPolarHBondContact O-CG 3.49Å; V391-M395 PolarHBondContact O-N 3.32Å; L392-M395 HydrophobicContact CD2-SD 4.03Å; S393-M395 VanDerWaalsContact C-N 3.28Å; S393-M395 PolarHBondContact O-N 2.91Å; M395-Y398 PolarHBondContact O-N 2.89Å; M395-L399 VanDerWaalsContact O-CG 3.26Å; M395-L399 WeakPolarHBondContact O-CG 3.43Å; M395-L399 PolarHBondContact O-N 2.87Å |
| 396 | L | 95.9 | Very high | 88.5 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 176.5 | -67.9 | 169.5 | 0 | 0 | 0 | 111.2 | K325 I328 L329 K332 L392 S393 Y398 L399 E400 | K325-L396 HydrophobicContact CB-CD2 4.15Å; K325-L396 HydrophobicContact CG-CD2 4.04Å; I328-L396 HydrophobicContact CB-CD2 4.04Å; I328-L396 HydrophobicContact CB-CG 4.41Å; I328-L396 HydrophobicContact CD1-CD2 4.32Å; I328-L396 HydrophobicContact CG2-CD1 4.04Å; I328-L396 HydrophobicContact CG2-CD2 3.89Å; I328-L396 HydrophobicContact CG2-CG 3.7Å; L329-L396 HydrophobicContact CD2-CD1 3.71Å; L329-L396 HydrophobicContact CG-CD1 4.21Å; L329-L396 HydrophobicContact CG-CD2 4.48Å; K332-L396 HydrophobicContact CD-CD1 4.22Å; L392-L396 WeakPolarHBondContact O-CG 3.5Å; L392-L396 PolarHBondContact O-N 3Å; S393-L396 WeakPolarHBondContact O-CB 3.46Å; S393-L396 PolarHBondContact O-N 3.43Å; S393-L396 VanDerWaalsContact O-N 3.1Å; L396-Y398 PolarHBondContact O-N 3.09Å; L396-L399 PolarHBondContact O-N 3.18Å; L396-L399 VanDerWaalsContact O-N 3.14Å; L396-E400 WeakPolarHBondContact O-CB 3.42Å; L396-E400 WeakPolarHBondContact O-CG 3.47Å; L396-E400 PolarHBondContact O-N 3.14Å |
| 397 | N | 95.4 | Very high | 85.9 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.6 | -35.1 | 178.1 | -66.8 | -15.3 | 0 | 0 | 0 | 112.4 | S393 E394 K401 | S393-N397 PolarHBondContact O-N 3.3Å; S393-N397 PolarHBondContact O-ND2 3.06Å; S393-N397 PolarHBondContact O-OD1 3.24Å; E394-N397 PolarHBondContact O-N 3.13Å; E394-N397 PolarHBondContact OE1-ND2 2.85Å; N397-K401 VanDerWaalsContact O-CD 3.23Å; N397-K401 WeakPolarHBondContact O-CD 3.19Å; N397-K401 WeakPolarHBondContact O-CE 3.49Å; N397-K401 VanDerWaalsContact O-CG 3.29Å; N397-K401 WeakPolarHBondContact O-CG 3.41Å |
| 398 | Y | 94.3 | Very high | 83.2 | Confident | 26 Ų | 26 | 65 Ų | 65 | 10% | 0.102 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -73.2 | -51.3 | 175.2 | -172.9 | -96.3 | 0 | 0 | 0 | 112.2 | E309 A312 R313 M316 E394 M395 L396 E400 K401 H402 | E309-Y398 HydrophobicContact CB-CD2 3.93Å; E309-Y398 HydrophobicContact CB-CE2 4.45Å; E309-Y398 HydrophobicContact CB-CG 4.33Å; E309-Y398 HydrophobicContact CG-CD2 3.73Å; E309-Y398 HydrophobicContact CG-CG 4.26Å; A312-Y398 HydrophobicContact CB-CD1 3.48Å; A312-Y398 VanDerWaalsContact CB-CD1 3.48Å; A312-Y398 HydrophobicContact CB-CE1 4.38Å; A312-Y398 HydrophobicContact CB-CG 4Å; R313-Y398 HydrophobicContact CB-CE1 4.48Å; R313-Y398 HydrophobicContact CG-CE1 3.63Å; R313-Y398 HydrophobicContact CG-CE2 4.34Å; R313-Y398 VanDerWaalsContact CG-CZ 3.48Å; R313-Y398 VanDerWaalsContact CG-OH 3.28Å; R313-Y398 WeakPolarHBondContact CG-OH 3.3Å; M316-Y398 HydrophobicContact CE-CE1 3.94Å; M316-Y398 HydrophobicContact SD-CE1 3.79Å; E394-Y398 WeakPolarHBondContact O-CB 3.46Å; E394-Y398 PolarHBondContact O-N 3.01Å; M395-Y398 PolarHBondContact O-N 2.89Å; L396-Y398 PolarHBondContact O-N 3.09Å; Y398-E400 VanDerWaalsContact C-N 3.25Å; Y398-E400 PolarHBondContact O-N 2.95Å; Y398-K401 PolarHBondContact O-N 3.41Å; Y398-H402 AromaticContact CD2-CD2 3.87Å; Y398-H402 AromaticContact CE1-CD2 3.6Å; Y398-H402 AromaticContact CE2-CD2 3.39Å; Y398-H402 WeakPolarHBondContact CE2-CD2 3.23Å; Y398-H402 AromaticContact CE2-NE2 3.27Å; Y398-H402 VanDerWaalsContact CE2-NE2 3.27Å; Y398-H402 WeakPolarHBondContact CE2-NE2 3.31Å; Y398-H402 AromaticContact CZ-CD2 3.22Å; Y398-H402 AromaticContact CZ-NE2 3.3Å; Y398-H402 VanDerWaalsContact CZ-NE2 3.3Å; Y398-H402 PolarHBondContact O-CD2 3.37Å; Y398-H402 PolarHBondContact O-N 2.76Å; Y398-H402 VanDerWaalsContact O-N 3.16Å; Y398-H402 PolarHBondContact OH-CD2 3.26Å; Y398-H402 PolarHBondContact OH-NE2 3.39Å |
| 399 | L | 91.9 | Very high | 80.3 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.4 | -30.9 | -177.9 | -63 | 173.3 | 0 | 0 | 0 | 112.1 | A312 R324 K325 I328 M395 L396 T403 | A312-L399 HydrophobicContact CB-CD2 3.97Å; A312-L399 HydrophobicContact CB-CG 4.06Å; R324-L399 HydrophobicContact CG-CD1 4.29Å; K325-L399 HydrophobicContact CG-CB 4.5Å; K325-L399 HydrophobicContact CG-CD1 4.26Å; K325-L399 PolarHBondContact NZ-O 3.46Å; I328-L399 HydrophobicContact CD1-CD1 3.68Å; M395-L399 VanDerWaalsContact O-CG 3.26Å; M395-L399 WeakPolarHBondContact O-CG 3.43Å; M395-L399 PolarHBondContact O-N 2.87Å; L396-L399 PolarHBondContact O-N 3.18Å; L396-L399 VanDerWaalsContact O-N 3.14Å; L399-T403 PolarHBondContact O-N 2.95Å; L399-T403 PolarHBondContact O-OG1 3.48Å |
| 400 | E | 89.8 | Confident | 77.7 | Confident | 100 Ų | 100 | 68 Ų | 68 | 47% | 0.467 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.7 | -52.5 | 174.8 | -75 | 173.5 | -171.1 | 0 | 0 | 112.5 | L396 Y398 H402 T403 S404 | L396-E400 WeakPolarHBondContact O-CB 3.42Å; L396-E400 WeakPolarHBondContact O-CG 3.47Å; L396-E400 PolarHBondContact O-N 3.14Å; Y398-E400 VanDerWaalsContact C-N 3.25Å; Y398-E400 PolarHBondContact O-N 2.95Å; E400-H402 PolarHBondContact O-N 3.39Å; E400-T403 WeakPolarHBondContact O-CB 3.39Å; E400-T403 PolarHBondContact O-N 3.05Å; E400-S404 PolarHBondContact O-N 3.28Å; E400-S404 PolarHBondContact O-OG 3.29Å |
| 401 | K | 88.6 | Confident | 74.9 | Confident | 112 Ų | 112 | 69.1 Ų | 69.1 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -53.5 | -42.9 | 176 | -68 | 163.7 | -169.2 | 163.4 | 0 | 111.9 | N397 Y398 H405 | N397-K401 VanDerWaalsContact O-CD 3.23Å; N397-K401 WeakPolarHBondContact O-CD 3.19Å; N397-K401 WeakPolarHBondContact O-CE 3.49Å; N397-K401 VanDerWaalsContact O-CG 3.29Å; N397-K401 WeakPolarHBondContact O-CG 3.41Å; Y398-K401 PolarHBondContact O-N 3.41Å; K401-H405 PolarHBondContact O-CD2 3.15Å |
| 402 | H | 81.6 | Confident | 71.9 | Confident | 79 Ų | 79 | 78.1 Ų | 78.1 | 37% | 0.366 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -84.4 | -4.8 | -180 | -72.3 | -76.5 | 0 | 0 | 0 | 115 | M316 Y398 E400 | M316-H402 HydrophobicContact CE-CB 3.85Å; M316-H402 HydrophobicContact SD-CB 4.36Å; Y398-H402 AromaticContact CD2-CD2 3.87Å; Y398-H402 AromaticContact CE1-CD2 3.6Å; Y398-H402 AromaticContact CE2-CD2 3.39Å; Y398-H402 WeakPolarHBondContact CE2-CD2 3.23Å; Y398-H402 AromaticContact CE2-NE2 3.27Å; Y398-H402 VanDerWaalsContact CE2-NE2 3.27Å; Y398-H402 WeakPolarHBondContact CE2-NE2 3.31Å; Y398-H402 AromaticContact CZ-CD2 3.22Å; Y398-H402 AromaticContact CZ-NE2 3.3Å; Y398-H402 VanDerWaalsContact CZ-NE2 3.3Å; Y398-H402 PolarHBondContact O-CD2 3.37Å; Y398-H402 PolarHBondContact O-N 2.76Å; Y398-H402 VanDerWaalsContact O-N 3.16Å; Y398-H402 PolarHBondContact OH-CD2 3.26Å; Y398-H402 PolarHBondContact OH-NE2 3.39Å; E400-H402 PolarHBondContact O-N 3.39Å |
| 403 | T | 73.1 | Confident | 68.9 | Low | 51 Ų | 51 | 83.7 Ų | 83.7 | 31% | 0.313 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -76.3 | -47.6 | 166.5 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | K325 L399 E400 H405 | K325-T403 PolarHBondContact NZ-OG1 2.86Å; L399-T403 PolarHBondContact O-N 2.95Å; L399-T403 PolarHBondContact O-OG1 3.48Å; E400-T403 WeakPolarHBondContact O-CB 3.39Å; E400-T403 PolarHBondContact O-N 3.05Å; T403-H405 PolarHBondContact O-N 3.38Å |
| 404 | S | 58.9 | Low | 65.8 | Low | 90 Ų | 90 | 86 Ų | 86 | 63% | 0.629 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.6 | -30.8 | -167.9 | -54.5 | 0 | 0 | 0 | 0 | 114.5 | E400 K406 | E400-S404 PolarHBondContact O-N 3.28Å; E400-S404 PolarHBondContact O-OG 3.29Å; S404-K406 PolarHBondContact O-N 2.94Å; S404-K406 VanDerWaalsContact O-N 3.07Å |
| 405 | H | 53.8 | Low | 62.8 | Low | 164 Ų | 164 | 94.2 Ų | 94.2 | 76% | 0.759 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -0.9 | -172.8 | -81.9 | -50.1 | 0 | 0 | 0 | 116.5 | K401 T403 | K401-H405 PolarHBondContact O-CD2 3.15Å; T403-H405 PolarHBondContact O-N 3.38Å |
| 406 | K | 52.8 | Low | 59.6 | Low | 162 Ų | 162 | 97.7 Ų | 97.7 | 70% | 0.704 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -9 | 178.6 | -90.1 | -171.2 | 170.4 | -173.8 | 0 | 116.3 | S404 | S404-K406 PolarHBondContact O-N 2.94Å; S404-K406 VanDerWaalsContact O-N 3.07Å |
| 407 | N | 44.2 | Very low | 56.6 | Low | 149 Ų | 149 | 106.4 Ų | 106.4 | 80% | 0.797 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -94.5 | 13.5 | -178.5 | -75.4 | 20.9 | 0 | 0 | 0 | 113.9 | ||
| 408 | G | 41.6 | Very low | 53.6 | Low | 82 Ų | 82 | 107.6 Ų | 107.6 | 85% | 0.845 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -119.8 | 20.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 409 | G | 38.1 | Very low | 50.6 | Low | 73 Ų | 73 | 113.7 Ų | 113.7 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | trans | -158.4 | 81.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 410 | A | 42.4 | Very low | 47.8 | Very low | 108 Ų | 108 | 118.3 Ų | 118.3 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | trans | -145.6 | 40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 411 | A | 39.8 | Very low | 45.1 | Very low | 93 Ų | 93 | 121 Ų | 121 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -154.3 | 142.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 412 | E | 35.3 | Very low | 42.5 | Very low | 197 Ų | 197 | 123.7 Ų | 123.7 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | cis | -116.3 | 167.6 | 4.1 | -63.9 | 172.5 | 98.5 | 0 | 0 | 112.2 | ||||
| 413 | S | 36.8 | Very low | 40.2 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -120.9 | 109.4 | 167.9 | 59.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 414 | G | 32.2 | Very low | 39.1 | Very low | 79 Ų | 79 | 127.7 Ų | 127.7 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | -125.5 | 132 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 415 | Q | 35.8 | Very low | 37.8 | Very low | 208 Ų | 208 | 131.9 Ų | 131.9 | 97% | 0.972 | 81% | 0.809 | S | S | * | * | trans | -95.2 | 151.1 | -174.7 | -61.9 | 166 | -44.8 | 0 | 0 | 111.8 | ||||
| 416 | G | 29 | Very low | 36.8 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | 178.7 | 131.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 417 | H | 33.3 | Very low | 35.8 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 90% | 0.903 | 82% | 0.824 | S | S | * | * | trans | -118.3 | 157.6 | -169.5 | -132.9 | -87.7 | 0 | 0 | 0 | 112.9 | ||||
| 418 | A | 33 | Very low | 35.3 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 69% | 0.686 | 82% | 0.824 | S | S | * | * | trans | 75.5 | 100.7 | 150 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 419 | N | 31.2 | Very low | 34.8 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | 71.9 | 112.1 | 108.5 | -156.1 | 38.5 | 0 | 0 | 0 | 123.2 | |||||
| 420 | S | 32.7 | Very low | 34.5 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 69% | 0.685 | 83% | 0.83 | S | S | * | * | trans | 57.4 | 116.6 | 136.4 | 173 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 421 | E | 32.4 | Very low | 34.1 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 74% | 0.738 | 83% | 0.827 | S | S | * | * | -150.5 | -177.4 | 125.9 | -124.1 | -161 | 130.5 | 0 | 0 | 115.2 | |||||
| 422 | K | 33.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 143 Ų | 143 | 73% | 0.73 | 82% | 0.824 | S | S | * | * | trans | -74.9 | 134.4 | -153.8 | -59.7 | 144.8 | -172.9 | 148.5 | 0 | 116.4 | ||||
| 423 | A | 33.3 | Very low | 34 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | 45 | 162.3 | 98.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 424 | P | 51.6 | Low | 34.1 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | -129.5 | 175.4 | -113.2 | 40.5 | -24.3 | 0 | 0 | 0 | 115.6 | |||||
| 425 | L | 30.7 | Very low | 34.2 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | trans | -160.9 | 153.4 | 159 | -112.6 | 157.7 | 0 | 0 | 0 | 114.4 | ||||
| 426 | R | 32.3 | Very low | 34.1 | Very low | 235 Ų | 235 | 137.8 Ų | 137.8 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -85.6 | 151.6 | 176.8 | -74.5 | 171.8 | 162 | 160.5 | -8.4 | 112 | ||||
| 427 | K | 33.4 | Very low | 34.6 | Very low | 204 Ų | 204 | 143.4 Ų | 143.4 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -153 | 147 | 137.5 | -145.3 | 170.4 | -176.8 | 179.8 | 0 | 112.5 | ||||
| 428 | T | 31.9 | Very low | 35 | Very low | 131 Ų | 131 | 140 Ų | 140 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -130.3 | 136.3 | 179.4 | 46.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 429 | S | 32.3 | Very low | 35.4 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -167.8 | 154.9 | 162.9 | 48.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 430 | E | 32 | Very low | 36.3 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -103.8 | 178.7 | -164.6 | -64.2 | 164.2 | 76.1 | 0 | 0 | 115 | ||||
| 431 | A | 34.6 | Very low | 36.9 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 81.9 | 145.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 432 | A | 35.2 | Very low | 37.8 | Very low | 85 Ų | 85 | 150.3 Ų | 150.3 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | cis | -173.1 | -171.7 | -18.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 433 | V | 36 | Very low | 38 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | 105.5 | 113 | 145.5 | -171.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 434 | K | 38.8 | Very low | 38.2 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | 66.1 | 152.9 | 153.3 | -71.6 | 175.7 | 166.4 | -76.1 | 0 | 119.7 | ||||
| 435 | E | 34.7 | Very low | 37.5 | Very low | 158 Ų | 158 | 154.2 Ų | 154.2 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | cis | -165.4 | 174.8 | -17.3 | -115.1 | 160 | -172.5 | 0 | 0 | 107.9 | ||||
| 436 | G | 34.3 | Very low | 37.9 | Very low | 62 Ų | 62 | 152.8 Ų | 152.8 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | cis | 168.9 | 167.2 | 0.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 437 | K | 40.2 | Very low | 38.2 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | trans | 67.3 | 136.2 | -172.7 | -67.4 | -167.7 | 169.6 | -173.1 | 0 | 115.9 | ||||
| 438 | T | 40.6 | Very low | 38.5 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | cis | 95.5 | 104.5 | 21 | 72.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 439 | E | 42.6 | Very low | 39 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -162.2 | 173.7 | 135.2 | -162.1 | 131.2 | -142.1 | 0 | 0 | 109.4 | ||||
| 440 | K | 48.2 | Very low | 39.5 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | -157.7 | 150.9 | -121.8 | -175.9 | -155 | 178 | -162.6 | 0 | 112.7 | |||||
| 441 | T | 46.1 | Very low | 40.2 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | trans | 64.1 | 148.9 | 166.7 | 31.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 442 | D | 50.6 | Low | 40.7 | Very low | 232 Ų | 232 | 147.2 Ų | 147.2 | 100% | 1.241 | 79% | 0.792 | S | S | * | * | cis | -114 | 0 | -5.3 | -90.2 | -51.9 | 0 | 0 | 0 | 111.2 |
Retrieved 442 of 442 residues in 2039.2 ms
(Link to these results)