| 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 | P | 36.1 | Very low | 35.7 | Very low | 172 Ų | 172 | 156.7 Ų | 156.7 | 100% | 1.117 | 87% | 0.87 | S | S | * | * | 0 | 126.4 | 0 | -2.5 | 23.5 | 0 | 0 | 0 | 111 | |||||
| 2 | S | 33.5 | Very low | 35.7 | Very low | 101 Ų | 101 | 157.8 Ų | 157.8 | 71% | 0.706 | 87% | 0.871 | S | S | * | * | trans | 51.6 | 111.3 | 159.7 | 43.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 3 | L | 36.7 | Very low | 35.5 | Very low | 160 Ų | 160 | 158.3 Ų | 158.3 | 84% | 0.838 | 86% | 0.863 | S | S | * | * | 67.8 | 135.7 | 78.2 | -64.1 | 163 | 0 | 0 | 0 | 112.1 | |||||
| 4 | T | 38.6 | Very low | 35.1 | Very low | 134 Ų | 134 | 159 Ų | 159 | 82% | 0.822 | 87% | 0.866 | S | S | * | * | cis | -157.4 | 168 | 9.9 | -10.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | Q | 38.2 | Very low | 35 | Very low | 189 Ų | 189 | 156.7 Ų | 156.7 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | trans | -96.3 | 155.7 | -170.1 | -164.7 | 170.8 | 17.9 | 0 | 0 | 114.4 | ||||
| 6 | S | 38 | Very low | 34.8 | Very low | 127 Ų | 127 | 157.7 Ų | 157.7 | 89% | 0.888 | 85% | 0.846 | S | S | * | * | trans | -75.6 | 153.5 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 7 | G | 33.6 | Very low | 34.8 | Very low | 76 Ų | 76 | 154.4 Ų | 154.4 | 78% | 0.784 | 84% | 0.838 | S | S | * | * | trans | 178.4 | 109.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 8 | K | 37.2 | Very low | 34.7 | Very low | 207 Ų | 207 | 150.7 Ų | 150.7 | 90% | 0.9 | 83% | 0.832 | S | S | * | * | trans | -81.8 | 137.4 | 175.4 | -64.5 | 174.4 | 178.8 | 176.9 | 0 | 110.1 | ||||
| 9 | I | 34.2 | Very low | 34.5 | Very low | 170 Ų | 170 | 153.8 Ų | 153.8 | 87% | 0.872 | 84% | 0.837 | S | S | * | * | trans | -123 | 139.3 | 162.4 | -66.1 | -175.1 | 0 | 0 | 0 | 108.7 | ||||
| 10 | F | 34.5 | Very low | 34.9 | Very low | 200 Ų | 200 | 155.4 Ų | 155.4 | 88% | 0.877 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 157.4 | -171.1 | -105.9 | -106.2 | 0 | 0 | 0 | 113.6 | ||
| 11 | Q | 32.4 | Very low | 35.1 | Very low | 188 Ų | 188 | 152.4 Ų | 152.4 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 147.1 | 175.4 | -71.5 | 172.1 | -24.4 | 0 | 0 | 112.1 | ||
| 12 | L | 35.7 | Very low | 35.2 | Very low | 170 Ų | 170 | 156.5 Ų | 156.5 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 117.8 | 165.9 | -87.3 | 148.7 | 0 | 0 | 0 | 110.2 | ||
| 13 | Q | 32.5 | Very low | 35.1 | Very low | 164 Ų | 164 | 155.9 Ų | 155.9 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | trans | -161.2 | 118.9 | 147.6 | -155 | 75.8 | 63.8 | 0 | 0 | 109.5 | ||||
| 14 | D | 30.7 | Very low | 35 | Very low | 168 Ų | 168 | 151.6 Ų | 151.6 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | trans | -156.2 | 154.4 | 148.3 | -103 | -36 | 0 | 0 | 0 | 109.4 | ||||
| 15 | N | 32.6 | Very low | 34.9 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 66% | 0.663 | 83% | 0.834 | S | S | * | * | trans | -143.5 | 161.7 | -153.5 | -157.1 | -11 | 0 | 0 | 0 | 112 | ||||
| 16 | F | 32.3 | Very low | 35 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | 70.5 | 97.9 | 170.6 | -89.2 | -97.9 | 0 | 0 | 0 | 120.8 | ||||
| 17 | S | 34.4 | Very low | 35 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | 66.5 | 147.7 | 106.9 | -57.6 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 18 | A | 32.8 | Very low | 35.4 | Very low | 88 Ų | 88 | 156 Ų | 156 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | 78.5 | 105.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 19 | F | 31.8 | Very low | 35.1 | Very low | 210 Ų | 210 | 149.3 Ų | 149.3 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | -161.9 | 105.5 | 119.2 | -109.6 | -73.3 | 0 | 0 | 0 | 110.5 | |||||
| 20 | H | 42.2 | Very low | 35.3 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -88 | 160.1 | 165.5 | -98.4 | -103.8 | 0 | 0 | 0 | 110.3 | ||||
| 21 | A | 38.7 | Very low | 35.3 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | 70.5 | 105.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 22 | R | 39 | Very low | 35.5 | Very low | 259 Ų | 259 | 146 Ų | 146 | 98% | 0.977 | 81% | 0.808 | S | S | * | * | -165.3 | 130 | 114 | -80.9 | -131.4 | 163.7 | 168.8 | -5.1 | 110 | |||||
| 23 | G | 32.2 | Very low | 35.4 | Very low | 88 Ų | 88 | 146.8 Ų | 146.8 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | 151.1 | 48.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 24 | G | 33.9 | Very low | 35.5 | Very low | 70 Ų | 70 | 148.3 Ų | 148.3 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -115.8 | 140.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 25 | L | 37.2 | Very low | 36 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 153.9 | 134.2 | 168.9 | -89.2 | 164.8 | 0 | 0 | 0 | 105.9 | ||||
| 26 | N | 39.9 | Very low | 35.9 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 61% | 0.61 | 81% | 0.806 | S | S | * | * | cis | -158.5 | 125.6 | -10.4 | -163.1 | -22 | 0 | 0 | 0 | 107.3 | ||||
| 27 | I | 37.9 | Very low | 36.1 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -128.3 | 102.3 | 173.6 | -52.6 | 176.8 | 0 | 0 | 0 | 107.4 | ||||
| 28 | L | 40.6 | Very low | 36 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -137.8 | 113.1 | 178.9 | -100.9 | 161.1 | 0 | 0 | 0 | 107.7 | ||||
| 29 | G | 32.5 | Very low | 35.8 | Very low | 67 Ų | 67 | 145.3 Ų | 145.3 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | -179 | 51.9 | -168 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 30 | L | 38.6 | Very low | 35.8 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 61.8 | 102.1 | 158.7 | -67.8 | 158.9 | 0 | 0 | 0 | 118.4 | ||||
| 31 | Q | 34.3 | Very low | 35.2 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -114.5 | 152.5 | 147 | -122.4 | 83.3 | 108.1 | 0 | 0 | 109.6 | ||||
| 32 | D | 35.5 | Very low | 35 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | trans | 67.3 | 111.6 | 161.3 | -53.4 | -36.6 | 0 | 0 | 0 | 120.9 | ||||
| 33 | M | 33.7 | Very low | 34.7 | Very low | 186 Ų | 186 | 132 Ų | 132 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -145.5 | 120.6 | 131.2 | -107.1 | -68.6 | -74.2 | 0 | 0 | 108.5 | ||||
| 34 | Y | 34.8 | Very low | 34.7 | Very low | 195 Ų | 195 | 132.2 Ų | 132.2 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -90.2 | 173.5 | -178.1 | -166.7 | -99.6 | 0 | 0 | 0 | 111.1 | ||||
| 35 | L | 42 | Very low | 34.9 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | -47.1 | 147.9 | -175 | -76.9 | 61.5 | 0 | 0 | 0 | 115.4 | ||||
| 36 | D | 29.4 | Very low | 34.7 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | -151.3 | 178.2 | 119 | -141.2 | -24.2 | 0 | 0 | 0 | 113.2 | |||||
| 37 | T | 36.3 | Very low | 34.5 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | trans | -122.7 | 164 | -152.8 | -39.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 38 | S | 33.5 | Very low | 35.6 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | 72.9 | 148.6 | 174 | 80.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 39 | G | 28.6 | Very low | 35.8 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | cis | 174.9 | 177.4 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 40 | A | 30.3 | Very low | 36.1 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | 78.7 | 105.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 41 | N | 30.9 | Very low | 36.3 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | 66.2 | 128.3 | 116 | -62.2 | -7.7 | 0 | 0 | 0 | 124.3 | |||||
| 42 | S | 34.7 | Very low | 37.1 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 96.4 | 103.6 | 136.1 | -63.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 43 | S | 32.9 | Very low | 37.2 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | 51 | 113.9 | 119.2 | -53.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 44 | A | 32.1 | Very low | 37.6 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | -163.8 | 108.7 | 123.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 45 | T | 38.5 | Very low | 38.5 | Very low | 127 Ų | 127 | 119.9 Ų | 119.9 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | 28.9 | 122.5 | 106.7 | 146.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 46 | L | 32.4 | Very low | 38.2 | Very low | 167 Ų | 167 | 121.3 Ų | 121.3 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | -167.1 | 121.6 | 127.3 | -101.8 | 166.7 | 0 | 0 | 0 | 110.4 | |||||
| 47 | S | 35.9 | Very low | 39.3 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -115 | -176.5 | 170 | -41.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 48 | P | 60.5 | Low | 39.1 | Very low | 98 Ų | 98 | 118.4 Ų | 118.4 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | -110.3 | -176 | -127.6 | 38.1 | -21 | 0 | 0 | 0 | 113.5 | |||||
| 49 | P | 45.2 | Very low | 39.2 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 84% | 0.844 | 76% | 0.762 | S | S | * | * | trans | -89 | 145.5 | 157.3 | 32.4 | -26.8 | 0 | 0 | 0 | 112 | ||||
| 50 | I | 39.2 | Very low | 39.7 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -124 | 142.7 | -175.3 | -50.8 | 157.3 | 0 | 0 | 0 | 107.2 | ||||
| 51 | T | 41.6 | Very low | 40.3 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | trans | -171.8 | 156.8 | 149.3 | 17.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 52 | P | 52.3 | Low | 40.6 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | trans | -138.7 | -155 | -131.2 | 31.4 | -5.3 | 0 | 0 | 0 | 116.2 | ||||
| 53 | V | 37 | Very low | 40.9 | Very low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | trans | 93.1 | 84 | 158 | -172.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 54 | T | 41.8 | Very low | 41.6 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | 78.1 | 162 | 92 | 56.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 55 | P | 52.6 | Low | 42 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | cis | -141.4 | 166 | -31.4 | 37 | -18.6 | 0 | 0 | 0 | 117.1 | ||||
| 56 | D | 37.2 | Very low | 42 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | 57.6 | 166.8 | 142.5 | -84.8 | -40 | 0 | 0 | 0 | 124.3 | ||||
| 57 | P | 51.3 | Low | 42.9 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | cis | -134.2 | 168.7 | -30.8 | 34.6 | -18.6 | 0 | 0 | 0 | 114.1 | ||||
| 58 | S | 33.5 | Very low | 43.3 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | 151.2 | 126.2 | 128.8 | -68.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 59 | T | 35.5 | Very low | 43 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | 65.4 | 91.7 | 146 | -42.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 60 | S | 38.2 | Very low | 43.2 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | 176.8 | 139.1 | 98 | 43.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 61 | A | 43 | Very low | 43.8 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -85.3 | 134.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 62 | Q | 37.4 | Very low | 44.8 | Very low | 189 Ų | 189 | 125 Ų | 125 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | -149.4 | 104.7 | 156.3 | -114.3 | 162.9 | 54.2 | 0 | 0 | 111.5 | ||||
| 63 | S | 39.8 | Very low | 45.2 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | 16.8 | 114 | 149.8 | 52.4 | 0 | 0 | 0 | 0 | 118.7 | H65 | S63-H65 PolarHBondContact O-N 3.35Š| ||
| 64 | T | 47.8 | Very low | 46.7 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | trans | -55.2 | 121.1 | 159.3 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 65 | H | 41.9 | Very low | 48.2 | Very low | 161 Ų | 161 | 118.3 Ų | 118.3 | 75% | 0.745 | 71% | 0.706 | S | S | * | * | trans | -131.8 | 99.2 | 159.3 | -168.1 | -28.1 | 0 | 0 | 0 | 109.4 | S63 | S63-H65 PolarHBondContact O-N 3.35Š| ||
| 66 | F | 37.2 | Very low | 49.2 | Very low | 182 Ų | 182 | 115.8 Ų | 115.8 | 80% | 0.798 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -72 | 129.8 | 162.6 | -87.8 | -95.1 | 0 | 0 | 0 | 108.7 | ||
| 67 | P | 52.4 | Low | 51.4 | Low | 107 Ų | 107 | 113.3 Ų | 113.3 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133.3 | 168.6 | -18.5 | 32.6 | 0 | 0 | 0 | 110.1 | L69 | P67-L69 PolarHBondContact O-N 3.45Š|
| 68 | F | 43 | Very low | 53 | Low | 176 Ų | 176 | 111.6 Ų | 111.6 | 77% | 0.772 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 129.2 | 179.8 | -99.7 | -110.3 | 0 | 0 | 0 | 111.6 | A70 | F68-A70 HydrophobicContact CB-CB 4.48Å; F68-A70 HydrophobicContact CD1-CB 4.43Å; F68-A70 PolarHBondContact O-N 3.2Å |
| 69 | L | 54.3 | Low | 55.6 | Low | 162 Ų | 162 | 111.4 Ų | 111.4 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 33.2 | 173.4 | -69.7 | 169.8 | 0 | 0 | 0 | 113.2 | P67 | P67-L69 PolarHBondContact O-N 3.45Š|
| 70 | A | 49.8 | Very low | 58.2 | Low | 68 Ų | 68 | 108.5 Ų | 108.5 | 56% | 0.562 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -31.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F68 S72 | F68-A70 HydrophobicContact CB-CB 4.48Å; F68-A70 HydrophobicContact CD1-CB 4.43Å; F68-A70 PolarHBondContact O-N 3.2Å; A70-S72 VanDerWaalsContact C-N 3.25Å; A70-S72 PolarHBondContact O-N 3.46Å |
| 71 | D | 51.8 | Low | 60.7 | Low | 112 Ų | 112 | 109 Ų | 109 | 60% | 0.599 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -7.1 | -176.3 | -66.2 | -48 | 0 | 0 | 0 | 114 | A73 A74 T75 | D71-A73 VanDerWaalsContact C-N 3.28Å; D71-A73 PolarHBondContact O-N 3.44Å; D71-A74 PolarHBondContact O-N 3.11Å; D71-T75 PolarHBondContact O-N 2.81Å; D71-T75 PolarHBondContact O-OG1 2.95Å |
| 72 | S | 62.1 | Low | 63.1 | Low | 65 Ų | 65 | 110.6 Ų | 110.6 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -59.1 | -34.3 | -174.8 | -48.1 | 0 | 0 | 0 | 0 | 113.5 | A70 T75 A76 | A70-S72 VanDerWaalsContact C-N 3.25Å; A70-S72 PolarHBondContact O-N 3.46Å; S72-T75 WeakPolarHBondContact CA-OG1 3.49Å; S72-T75 PolarHBondContact O-OG1 2.98Å; S72-A76 WeakPolarHBondContact O-CB 3.23Å; S72-A76 PolarHBondContact O-N 3.32Å |
| 73 | A | 62.6 | Low | 65.8 | Low | 67 Ų | 67 | 108.7 Ų | 108.7 | 55% | 0.554 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.7 | -35.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D71 N77 | D71-A73 VanDerWaalsContact C-N 3.28Å; D71-A73 PolarHBondContact O-N 3.44Å; A73-N77 WeakPolarHBondContact O-CB 3.15Å; A73-N77 PolarHBondContact O-N 3.27Å; A73-N77 VanDerWaalsContact O-N 3.11Å; A73-N77 PolarHBondContact O-ND2 3.37Å |
| 74 | A | 68.3 | Low | 68.5 | Low | 67 Ų | 67 | 108.6 Ų | 108.6 | 55% | 0.554 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.7 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | D71 N77 S78 | D71-A74 PolarHBondContact O-N 3.11Å; A74-N77 PolarHBondContact O-N 2.95Å; A74-S78 PolarHBondContact O-N 3.44Å; A74-S78 PolarHBondContact O-OG 3.46Å |
| 75 | T | 73.3 | Confident | 70.7 | Confident | 72 Ų | 72 | 109.6 Ų | 109.6 | 44% | 0.442 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.5 | -38.5 | 173.5 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | D71 S72 N77 S78 L79 | D71-T75 PolarHBondContact O-N 2.81Å; D71-T75 PolarHBondContact O-OG1 2.95Å; S72-T75 WeakPolarHBondContact CA-OG1 3.49Å; S72-T75 PolarHBondContact O-OG1 2.98Å; T75-N77 PolarHBondContact O-N 3.27Å; T75-S78 WeakPolarHBondContact CA-OG 3.17Å; T75-S78 PolarHBondContact O-N 3.21Å; T75-S78 PolarHBondContact O-OG 3.31Å; T75-L79 WeakPolarHBondContact O-CB 3.36Å; T75-L79 VanDerWaalsContact O-CG 3.26Å; T75-L79 WeakPolarHBondContact O-CG 3.09Å; T75-L79 PolarHBondContact O-N 3.29Å |
| 76 | A | 72.4 | Confident | 73.3 | Confident | 50 Ų | 50 | 108 Ų | 108 | 41% | 0.413 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.6 | -39.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S72 L80 | S72-A76 WeakPolarHBondContact O-CB 3.23Å; S72-A76 PolarHBondContact O-N 3.32Å; A76-L80 WeakPolarHBondContact O-CB 3.27Å; A76-L80 PolarHBondContact O-N 3.4Å |
| 77 | N | 83 | Confident | 76.1 | Confident | 103 Ų | 103 | 106.8 Ų | 106.8 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.8 | -41.7 | 176.4 | -90.5 | -73.9 | 0 | 0 | 0 | 112.8 | A73 A74 T75 L80 M81 | A73-N77 WeakPolarHBondContact O-CB 3.15Å; A73-N77 PolarHBondContact O-N 3.27Å; A73-N77 VanDerWaalsContact O-N 3.11Å; A73-N77 PolarHBondContact O-ND2 3.37Å; A74-N77 PolarHBondContact O-N 2.95Å; T75-N77 PolarHBondContact O-N 3.27Å; N77-L80 WeakPolarHBondContact O-CB 3.46Å; N77-L80 PolarHBondContact O-N 2.95Å; N77-M81 PolarHBondContact O-N 3.01Å |
| 78 | S | 85.4 | Confident | 78.2 | Confident | 66 Ų | 66 | 107.7 Ų | 107.7 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.7 | -38.4 | 176.7 | 57.7 | 0 | 0 | 0 | 0 | 112 | A74 T75 L80 M81 Q82 | A74-S78 PolarHBondContact O-N 3.44Å; A74-S78 PolarHBondContact O-OG 3.46Å; T75-S78 WeakPolarHBondContact CA-OG 3.17Å; T75-S78 PolarHBondContact O-N 3.21Å; T75-S78 PolarHBondContact O-OG 3.31Å; S78-L80 VanDerWaalsContact C-N 3.35Å; S78-L80 PolarHBondContact O-N 3.27Å; S78-M81 PolarHBondContact O-N 3.49Å; S78-Q82 VanDerWaalsContact O-CB 3.31Å; S78-Q82 WeakPolarHBondContact O-CB 3.46Å; S78-Q82 PolarHBondContact O-N 3.13Å |
| 79 | L | 88.3 | Confident | 80.8 | Confident | 101 Ų | 101 | 102.9 Ų | 102.9 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -35 | 171.2 | -70.7 | 171 | 0 | 0 | 0 | 112.9 | T75 R83 | T75-L79 WeakPolarHBondContact O-CB 3.36Å; T75-L79 VanDerWaalsContact O-CG 3.26Å; T75-L79 WeakPolarHBondContact O-CG 3.09Å; T75-L79 PolarHBondContact O-N 3.29Å; L79-R83 WeakPolarHBondContact O-CB 3.43Å; L79-R83 PolarHBondContact O-N 3.29Å |
| 80 | L | 90.6 | Very high | 82.8 | Confident | 73 Ų | 73 | 99.7 Ų | 99.7 | 38% | 0.382 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -50.5 | 172.8 | -109.9 | 161.8 | 0 | 0 | 0 | 111.5 | A76 N77 S78 R83 Q84 | A76-L80 WeakPolarHBondContact O-CB 3.27Å; A76-L80 PolarHBondContact O-N 3.4Å; N77-L80 WeakPolarHBondContact O-CB 3.46Å; N77-L80 PolarHBondContact O-N 2.95Å; S78-L80 VanDerWaalsContact C-N 3.35Å; S78-L80 PolarHBondContact O-N 3.27Å; L80-R83 PolarHBondContact O-N 3.01Å; L80-Q84 WeakPolarHBondContact O-CG 3.27Å; L80-Q84 PolarHBondContact O-N 2.93Å |
| 81 | M | 91.3 | Very high | 85 | Confident | 127 Ų | 127 | 101 Ų | 101 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 177.3 | -86.1 | -72.1 | 157.5 | 0 | 0 | 112.2 | N77 S78 R83 Q84 Y85 | N77-M81 PolarHBondContact O-N 3.01Å; S78-M81 PolarHBondContact O-N 3.49Å; M81-R83 VanDerWaalsContact C-N 3.32Å; M81-R83 PolarHBondContact O-N 2.72Å; M81-Q84 PolarHBondContact O-N 3.28Å; M81-Y85 WeakPolarHBondContact O-CB 3.36Å; M81-Y85 PolarHBondContact O-N 3Å |
| 82 | Q | 92.9 | Very high | 87.1 | Confident | 131 Ų | 131 | 100.6 Ų | 100.6 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -40.4 | 176.2 | -170.9 | 176.9 | 9.3 | 0 | 0 | 111.7 | S78 H86 | S78-Q82 VanDerWaalsContact O-CB 3.31Å; S78-Q82 WeakPolarHBondContact O-CB 3.46Å; S78-Q82 PolarHBondContact O-N 3.13Å; Q82-H86 WeakPolarHBondContact O-CB 3.42Å; Q82-H86 PolarHBondContact O-N 2.62Å |
| 83 | R | 94.6 | Very high | 88.7 | Confident | 149 Ų | 149 | 103.8 Ų | 103.8 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 173.6 | 178.8 | 171.2 | 59.9 | -111.6 | 5.1 | 112.1 | L79 L80 M81 H86 Y87 | L79-R83 WeakPolarHBondContact O-CB 3.43Å; L79-R83 PolarHBondContact O-N 3.29Å; L80-R83 PolarHBondContact O-N 3.01Å; M81-R83 VanDerWaalsContact C-N 3.32Å; M81-R83 PolarHBondContact O-N 2.72Å; R83-H86 PolarHBondContact O-N 3.48Å; R83-Y87 PolarHBondContact O-N 3.04Å |
| 84 | Q | 94.8 | Very high | 90.3 | Very high | 106 Ų | 106 | 107.3 Ų | 107.3 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 176.8 | -74.6 | 179.2 | -50.1 | 0 | 0 | 111.9 | L80 M81 H86 Y87 H88 | L80-Q84 WeakPolarHBondContact O-CG 3.27Å; L80-Q84 PolarHBondContact O-N 2.93Å; M81-Q84 PolarHBondContact O-N 3.28Å; Q84-H86 PolarHBondContact O-N 3.02Å; Q84-Y87 PolarHBondContact O-N 3.49Å; Q84-H88 PolarHBondContact O-N 2.75Å |
| 85 | Y | 95.6 | Very high | 91.5 | Very high | 157 Ų | 157 | 110.6 Ų | 110.6 | 62% | 0.616 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.7 | -45.7 | 174.6 | 178.8 | -98 | 0 | 0 | 0 | 112.1 | M81 Y87 H88 L89 | M81-Y85 WeakPolarHBondContact O-CB 3.36Å; M81-Y85 PolarHBondContact O-N 3Å; Y85-Y87 VanDerWaalsContact C-N 3.33Å; Y85-Y87 PolarHBondContact O-N 3.25Å; Y85-H88 PolarHBondContact O-N 2.79Å; Y85-L89 HydrophobicContact CD1-CD1 4.21Å; Y85-L89 HydrophobicContact CD2-CD1 4.39Å; Y85-L89 HydrophobicContact CE1-CD1 3.66Å; Y85-L89 HydrophobicContact CE1-CD2 4.26Å; Y85-L89 HydrophobicContact CE2-CD1 3.87Å; Y85-L89 VanDerWaalsContact CZ-CD1 3.48Å; Y85-L89 PolarHBondContact O-N 3.21Å |
| 86 | H | 95.3 | Very high | 92.5 | Very high | 126 Ų | 126 | 112.5 Ų | 112.5 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -39.7 | 178 | -161.7 | 78.9 | 0 | 0 | 0 | 112.2 | Q82 R83 Q84 H88 L89 L90 | Q82-H86 WeakPolarHBondContact O-CB 3.42Å; Q82-H86 PolarHBondContact O-N 2.62Å; R83-H86 PolarHBondContact O-N 3.48Å; Q84-H86 PolarHBondContact O-N 3.02Å; H86-H88 VanDerWaalsContact C-N 3.34Å; H86-H88 PolarHBondContact O-N 3.04Å; H86-L89 PolarHBondContact O-N 3.47Å; H86-L90 PolarHBondContact O-N 3.35Å |
| 87 | Y | 96.3 | Very high | 93.6 | Very high | 158 Ų | 158 | 115 Ų | 115 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.6 | -39.8 | 175.4 | -144.2 | -92.3 | 0 | 0 | 0 | 112 | R83 Q84 Y85 L90 L91 | R83-Y87 PolarHBondContact O-N 3.04Å; Q84-Y87 PolarHBondContact O-N 3.49Å; Y85-Y87 VanDerWaalsContact C-N 3.33Å; Y85-Y87 PolarHBondContact O-N 3.25Å; Y87-L90 WeakPolarHBondContact O-CB 3.28Å; Y87-L90 PolarHBondContact O-N 3.11Å; Y87-L91 HydrophobicContact CD1-CD1 3.51Å; Y87-L91 HydrophobicContact CE1-CD1 3.69Å; Y87-L91 VanDerWaalsContact O-CD1 3.3Å; Y87-L91 WeakPolarHBondContact O-CD1 3.19Å; Y87-L91 PolarHBondContact O-N 2.99Å |
| 88 | H | 96.2 | Very high | 94.2 | Very high | 126 Ų | 126 | 112.7 Ų | 112.7 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.1 | -38.8 | 177 | -166.8 | -106.5 | 0 | 0 | 0 | 112.5 | Q84 Y85 H86 L90 L91 Q92 | Q84-H88 PolarHBondContact O-N 2.75Å; Y85-H88 PolarHBondContact O-N 2.79Å; H86-H88 VanDerWaalsContact C-N 3.34Å; H86-H88 PolarHBondContact O-N 3.04Å; H88-L90 VanDerWaalsContact C-N 3.33Å; H88-L90 PolarHBondContact O-N 2.96Å; H88-L91 PolarHBondContact O-N 3.27Å; H88-Q92 PolarHBondContact O-N 3.25Å |
| 89 | L | 97.1 | Very high | 94.7 | Very high | 75 Ų | 75 | 115 Ų | 115 | 39% | 0.393 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 170.3 | -103.8 | 71.6 | 0 | 0 | 0 | 112 | Y85 H86 Q92 Q93 | Y85-L89 HydrophobicContact CD1-CD1 4.21Å; Y85-L89 HydrophobicContact CD2-CD1 4.39Å; Y85-L89 HydrophobicContact CE1-CD1 3.66Å; Y85-L89 HydrophobicContact CE1-CD2 4.26Å; Y85-L89 HydrophobicContact CE2-CD1 3.87Å; Y85-L89 VanDerWaalsContact CZ-CD1 3.48Å; Y85-L89 PolarHBondContact O-N 3.21Å; H86-L89 PolarHBondContact O-N 3.47Å; L89-Q92 PolarHBondContact O-N 3.45Å; L89-Q93 PolarHBondContact O-N 2.93Å |
| 90 | L | 97.2 | Very high | 94.9 | Very high | 94 Ų | 94 | 112.8 Ų | 112.8 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 179.9 | -139.1 | 84.6 | 0 | 0 | 0 | 111.8 | H86 Y87 H88 Q93 Q94 | H86-L90 PolarHBondContact O-N 3.35Å; Y87-L90 WeakPolarHBondContact O-CB 3.28Å; Y87-L90 PolarHBondContact O-N 3.11Å; H88-L90 VanDerWaalsContact C-N 3.33Å; H88-L90 PolarHBondContact O-N 2.96Å; L90-Q93 PolarHBondContact O-N 2.95Å; L90-Q94 WeakPolarHBondContact O-CB 3.42Å; L90-Q94 PolarHBondContact O-N 2.84Å |
| 91 | L | 96.6 | Very high | 95 | Very high | 97 Ų | 97 | 115.2 Ų | 115.2 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -42.8 | 173.8 | -92.6 | 93.7 | 0 | 0 | 0 | 112 | Y87 H88 Q93 Q94 Q95 | Y87-L91 HydrophobicContact CD1-CD1 3.51Å; Y87-L91 HydrophobicContact CE1-CD1 3.69Å; Y87-L91 VanDerWaalsContact O-CD1 3.3Å; Y87-L91 WeakPolarHBondContact O-CD1 3.19Å; Y87-L91 PolarHBondContact O-N 2.99Å; H88-L91 PolarHBondContact O-N 3.27Å; L91-Q93 PolarHBondContact O-N 2.89Å; L91-Q94 PolarHBondContact O-N 3.44Å; L91-Q95 WeakPolarHBondContact O-CB 3.31Å; L91-Q95 PolarHBondContact O-N 3.49Å |
| 92 | Q | 95.8 | Very high | 95.2 | Very high | 103 Ų | 103 | 115 Ų | 115 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.7 | -174.5 | 175.8 | 102.2 | 0 | 0 | 111.7 | H88 L89 Q95 Q96 | H88-Q92 PolarHBondContact O-N 3.25Å; L89-Q92 PolarHBondContact O-N 3.45Å; Q92-Q95 PolarHBondContact O-N 2.94Å; Q92-Q96 WeakPolarHBondContact O-CG 3.19Å; Q92-Q96 PolarHBondContact O-N 3.27Å |
| 93 | Q | 95.3 | Very high | 95.3 | Very high | 132 Ų | 132 | 115.2 Ų | 115.2 | 62% | 0.617 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62 | -46 | 174.9 | -172.5 | -165.8 | 102.8 | 0 | 0 | 111.4 | L89 L90 L91 Q95 Q96 L97 | L89-Q93 PolarHBondContact O-N 2.93Å; L90-Q93 PolarHBondContact O-N 2.95Å; L91-Q93 PolarHBondContact O-N 2.89Å; Q93-Q95 VanDerWaalsContact C-N 3.32Å; Q93-Q95 PolarHBondContact O-N 3.45Å; Q93-Q96 PolarHBondContact O-N 3Å; Q93-L97 PolarHBondContact O-N 2.77Å |
| 94 | Q | 95.1 | Very high | 95.1 | Very high | 140 Ų | 140 | 114 Ų | 114 | 65% | 0.654 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.4 | -41.8 | 178.6 | -173.6 | -175.9 | 91 | 0 | 0 | 111.7 | L90 L91 L97 A98 | L90-Q94 WeakPolarHBondContact O-CB 3.42Å; L90-Q94 PolarHBondContact O-N 2.84Å; L91-Q94 PolarHBondContact O-N 3.44Å; Q94-L97 PolarHBondContact O-N 3.02Å; Q94-A98 WeakPolarHBondContact O-CB 3.2Å; Q94-A98 PolarHBondContact O-N 2.84Å |
| 95 | Q | 95.3 | Very high | 95 | Very high | 137 Ų | 137 | 111.3 Ų | 111.3 | 64% | 0.64 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.5 | -40.1 | 177.4 | -174.8 | 173.4 | 81.5 | 0 | 0 | 112.4 | L91 Q92 Q93 A98 M99 | L91-Q95 WeakPolarHBondContact O-CB 3.31Å; L91-Q95 PolarHBondContact O-N 3.49Å; Q92-Q95 PolarHBondContact O-N 2.94Å; Q93-Q95 VanDerWaalsContact C-N 3.32Å; Q93-Q95 PolarHBondContact O-N 3.45Å; Q95-A98 PolarHBondContact O-N 2.75Å; Q95-M99 PolarHBondContact O-N 3.32Å |
| 96 | Q | 94.5 | Very high | 94.8 | Very high | 112 Ų | 112 | 108.9 Ų | 108.9 | 52% | 0.523 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 173.3 | -72 | 174.6 | 10 | 0 | 0 | 111.6 | Q92 Q93 M99 A100 | Q92-Q96 WeakPolarHBondContact O-CG 3.19Å; Q92-Q96 PolarHBondContact O-N 3.27Å; Q93-Q96 PolarHBondContact O-N 3Å; Q96-M99 PolarHBondContact O-N 2.96Å; Q96-A100 WeakPolarHBondContact O-CB 3.26Å; Q96-A100 PolarHBondContact O-N 2.85Å |
| 97 | L | 95.3 | Very high | 94.5 | Very high | 102 Ų | 102 | 105.6 Ų | 105.6 | 53% | 0.534 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 177.7 | -161 | 76.9 | 0 | 0 | 0 | 111.7 | Q93 Q94 A100 Q101 | Q93-L97 PolarHBondContact O-N 2.77Å; Q94-L97 PolarHBondContact O-N 3.02Å; L97-A100 PolarHBondContact O-N 3.17Å; L97-Q101 WeakPolarHBondContact O-CG 3.43Å; L97-Q101 PolarHBondContact O-N 3.03Å |
| 98 | A | 95.7 | Very high | 94 | Very high | 55 Ų | 55 | 100.7 Ų | 100.7 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q94 Q95 Q101 H102 | Q94-A98 WeakPolarHBondContact O-CB 3.2Å; Q94-A98 PolarHBondContact O-N 2.84Å; Q95-A98 PolarHBondContact O-N 2.75Å; A98-Q101 PolarHBondContact O-N 3.2Å; A98-H102 PolarHBondContact O-N 3.33Å |
| 99 | M | 94.2 | Very high | 93.5 | Very high | 114 Ų | 114 | 98.5 Ų | 98.5 | 56% | 0.562 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -40.9 | 174 | -73.9 | -152.1 | -63.8 | 0 | 0 | 112.4 | Q95 Q96 H102 Q103 | Q95-M99 PolarHBondContact O-N 3.32Å; Q96-M99 PolarHBondContact O-N 2.96Å; M99-H102 PolarHBondContact O-N 3.37Å; M99-Q103 WeakPolarHBondContact O-CG 3.46Å; M99-Q103 PolarHBondContact O-N 3.46Å |
| 100 | A | 93.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 97.9 Ų | 97.9 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q96 L97 Q103 L104 | Q96-A100 WeakPolarHBondContact O-CB 3.26Å; Q96-A100 PolarHBondContact O-N 2.85Å; L97-A100 PolarHBondContact O-N 3.17Å; A100-Q103 PolarHBondContact O-N 3.32Å; A100-L104 WeakPolarHBondContact O-CB 3.4Å; A100-L104 PolarHBondContact O-N 2.87Å |
| 101 | Q | 92.9 | Very high | 91.8 | Very high | 124 Ų | 124 | 96 Ų | 96 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64 | -39.4 | 174.5 | -75.2 | -177.8 | -20.5 | 0 | 0 | 112.3 | L97 A98 L104 A105 | L97-Q101 WeakPolarHBondContact O-CG 3.43Å; L97-Q101 PolarHBondContact O-N 3.03Å; A98-Q101 PolarHBondContact O-N 3.2Å; Q101-L104 PolarHBondContact O-N 3.22Å; Q101-A105 WeakPolarHBondContact O-CB 3.08Å; Q101-A105 PolarHBondContact O-N 3.09Å |
| 102 | H | 94.4 | Very high | 90.7 | Very high | 122 Ų | 122 | 94.2 Ų | 94.2 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 175.7 | -176.1 | 70.5 | 0 | 0 | 0 | 112.3 | A98 M99 A105 L106 | A98-H102 PolarHBondContact O-N 3.33Å; M99-H102 PolarHBondContact O-N 3.37Å; H102-A105 PolarHBondContact O-N 3.42Å; H102-L106 PolarHBondContact O-N 3.2Å |
| 103 | Q | 94.7 | Very high | 89.6 | Confident | 135 Ų | 135 | 92 Ų | 92 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 174.3 | -70.4 | 177.7 | 28.7 | 0 | 0 | 111.9 | M99 A100 A105 L106 A107 | M99-Q103 WeakPolarHBondContact O-CG 3.46Å; M99-Q103 PolarHBondContact O-N 3.46Å; A100-Q103 PolarHBondContact O-N 3.32Å; Q103-A105 VanDerWaalsContact C-N 3.34Å; Q103-A105 PolarHBondContact O-N 3.4Å; Q103-L106 PolarHBondContact O-N 3.29Å; Q103-A107 WeakPolarHBondContact O-CB 3.37Å; Q103-A107 PolarHBondContact O-N 3.11Å |
| 104 | L | 91.4 | Very high | 88.3 | Confident | 124 Ų | 124 | 89 Ų | 89 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 175.6 | -175.3 | 66.1 | 0 | 0 | 0 | 111.8 | A100 Q101 A107 A108 | A100-L104 WeakPolarHBondContact O-CB 3.4Å; A100-L104 PolarHBondContact O-N 2.87Å; Q101-L104 PolarHBondContact O-N 3.22Å; L104-A107 PolarHBondContact O-N 3.39Å; L104-A108 VanDerWaalsContact O-CB 3.28Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 2.87Å |
| 105 | A | 92.5 | Very high | 86.8 | Confident | 50 Ų | 50 | 84.9 Ų | 84.9 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q101 H102 Q103 S109 | Q101-A105 WeakPolarHBondContact O-CB 3.08Å; Q101-A105 PolarHBondContact O-N 3.09Å; H102-A105 PolarHBondContact O-N 3.42Å; Q103-A105 VanDerWaalsContact C-N 3.34Å; Q103-A105 PolarHBondContact O-N 3.4Å; A105-S109 WeakPolarHBondContact O-CB 3.21Å; A105-S109 PolarHBondContact O-N 3.07Å; A105-S109 PolarHBondContact O-OG 3.09Å |
| 106 | L | 91.8 | Very high | 85.2 | Confident | 105 Ų | 105 | 81.8 Ų | 81.8 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 171.8 | -109.7 | 79.7 | 0 | 0 | 0 | 111.8 | H102 Q103 A108 S109 A110 | H102-L106 PolarHBondContact O-N 3.2Å; Q103-L106 PolarHBondContact O-N 3.29Å; L106-A108 PolarHBondContact O-N 3.34Å; L106-S109 PolarHBondContact O-N 2.66Å; L106-A110 WeakPolarHBondContact O-CB 3.44Å; L106-A110 PolarHBondContact O-N 3.25Å |
| 107 | A | 87.9 | Confident | 83.6 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q103 L104 S109 A110 A111 | Q103-A107 WeakPolarHBondContact O-CB 3.37Å; Q103-A107 PolarHBondContact O-N 3.11Å; L104-A107 PolarHBondContact O-N 3.39Å; A107-S109 VanDerWaalsContact C-N 3.35Å; A107-A110 PolarHBondContact O-N 2.97Å; A107-A111 WeakPolarHBondContact O-CB 3.45Å; A107-A111 PolarHBondContact O-N 3.34Å |
| 108 | A | 86.4 | Confident | 82.1 | Confident | 56 Ų | 56 | 83.4 Ų | 83.4 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L104 L106 A111 A112 | L104-A108 VanDerWaalsContact O-CB 3.28Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 2.87Å; L106-A108 PolarHBondContact O-N 3.34Å; A108-A111 PolarHBondContact O-N 3.28Å; A108-A112 WeakPolarHBondContact O-CB 3.46Å; A108-A112 PolarHBondContact O-N 3.21Å |
| 109 | S | 84.9 | Confident | 80.7 | Confident | 80 Ų | 80 | 87 Ų | 87 | 56% | 0.559 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 176.9 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | A105 L106 A107 A112 A113 | A105-S109 WeakPolarHBondContact O-CB 3.21Å; A105-S109 PolarHBondContact O-N 3.07Å; A105-S109 PolarHBondContact O-OG 3.09Å; L106-S109 PolarHBondContact O-N 2.66Å; A107-S109 VanDerWaalsContact C-N 3.35Å; S109-A112 PolarHBondContact O-N 3.02Å; S109-A113 PolarHBondContact O-N 3.42Å |
| 110 | A | 80.4 | Confident | 79.5 | Confident | 62 Ų | 62 | 85.2 Ų | 85.2 | 51% | 0.512 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L106 A107 A113 S114 | L106-A110 WeakPolarHBondContact O-CB 3.44Å; L106-A110 PolarHBondContact O-N 3.25Å; A107-A110 PolarHBondContact O-N 2.97Å; A110-A113 PolarHBondContact O-N 3.29Å; A110-S114 PolarHBondContact O-N 3.4Å; A110-S114 PolarHBondContact O-OG 2.94Å |
| 111 | A | 78.4 | Confident | 78.6 | Confident | 53 Ų | 53 | 87.3 Ų | 87.3 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A107 A108 S114 A115 | A107-A111 WeakPolarHBondContact O-CB 3.45Å; A107-A111 PolarHBondContact O-N 3.34Å; A108-A111 PolarHBondContact O-N 3.28Å; A111-S114 WeakPolarHBondContact CA-OG 3.36Å; A111-S114 PolarHBondContact O-N 3.5Å; A111-S114 PolarHBondContact O-OG 3.24Å; A111-A115 VanDerWaalsContact O-CB 3.31Å; A111-A115 WeakPolarHBondContact O-CB 3.17Å; A111-A115 PolarHBondContact O-N 3Å |
| 112 | A | 74.6 | Confident | 78.1 | Confident | 61 Ų | 61 | 86.3 Ų | 86.3 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A108 S109 A115 S116 | A108-A112 WeakPolarHBondContact O-CB 3.46Å; A108-A112 PolarHBondContact O-N 3.21Å; S109-A112 PolarHBondContact O-N 3.02Å; A112-A115 PolarHBondContact O-N 3.16Å; A112-S116 PolarHBondContact O-N 3.37Å; A112-S116 VanDerWaalsContact O-N 3.08Å |
| 113 | A | 71.8 | Confident | 77.4 | Confident | 55 Ų | 55 | 84.8 Ų | 84.8 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S109 A110 S116 H117 | S109-A113 PolarHBondContact O-N 3.42Å; A110-A113 PolarHBondContact O-N 3.29Å; A113-S116 PolarHBondContact O-N 2.77Å; A113-H117 PolarHBondContact O-CD2 2.87Å; A113-H117 PolarHBondContact O-N 3.26Å |
| 114 | S | 68.2 | Low | 76.9 | Confident | 70 Ų | 70 | 81 Ų | 81 | 49% | 0.49 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 176.4 | 57.3 | 0 | 0 | 0 | 0 | 113 | A110 A111 H117 Q118 | A110-S114 PolarHBondContact O-N 3.4Å; A110-S114 PolarHBondContact O-OG 2.94Å; A111-S114 WeakPolarHBondContact CA-OG 3.36Å; A111-S114 PolarHBondContact O-N 3.5Å; A111-S114 PolarHBondContact O-OG 3.24Å; S114-H117 PolarHBondContact O-N 2.95Å; S114-Q118 WeakPolarHBondContact O-CB 3.4Å; S114-Q118 PolarHBondContact O-N 2.78Å |
| 115 | A | 63.2 | Low | 76.6 | Confident | 53 Ų | 53 | 83.3 Ų | 83.3 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A111 A112 Q118 Q119 | A111-A115 VanDerWaalsContact O-CB 3.31Å; A111-A115 WeakPolarHBondContact O-CB 3.17Å; A111-A115 PolarHBondContact O-N 3Å; A112-A115 PolarHBondContact O-N 3.16Å; A115-Q118 PolarHBondContact O-N 2.71Å; A115-Q119 WeakPolarHBondContact O-CB 3.42Å; A115-Q119 PolarHBondContact O-N 2.75Å |
| 116 | S | 61.5 | Low | 76.4 | Confident | 73 Ų | 73 | 84.1 Ų | 84.1 | 51% | 0.51 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 175.9 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | A112 A113 Q119 T120 | A112-S116 PolarHBondContact O-N 3.37Å; A112-S116 VanDerWaalsContact O-N 3.08Å; A113-S116 PolarHBondContact O-N 2.77Å; S116-Q119 PolarHBondContact O-N 2.67Å; S116-T120 PolarHBondContact O-N 3.35Å; S116-T120 PolarHBondContact O-OG1 2.84Å |
| 117 | H | 61.6 | Low | 76.2 | Confident | 131 Ų | 131 | 84.3 Ų | 84.3 | 61% | 0.606 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -44.3 | 175.9 | -84.6 | -68.2 | 0 | 0 | 0 | 112.7 | A113 S114 Q119 T120 D121 | A113-H117 PolarHBondContact O-CD2 2.87Å; A113-H117 PolarHBondContact O-N 3.26Å; S114-H117 PolarHBondContact O-N 2.95Å; H117-Q119 VanDerWaalsContact C-N 3.33Å; H117-Q119 PolarHBondContact O-N 3.22Å; H117-T120 PolarHBondContact O-N 2.79Å; H117-T120 PolarHBondContact O-OG1 2.83Å; H117-D121 PolarHBondContact O-N 3.21Å |
| 118 | Q | 63.5 | Low | 76 | Confident | 116 Ų | 116 | 88.1 Ų | 88.1 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 178.4 | -175.1 | 177.6 | -10.8 | 0 | 0 | 111.7 | S114 A115 T120 D121 E122 | S114-Q118 WeakPolarHBondContact O-CB 3.4Å; S114-Q118 PolarHBondContact O-N 2.78Å; A115-Q118 PolarHBondContact O-N 2.71Å; Q118-T120 PolarHBondContact O-N 3.5Å; Q118-D121 PolarHBondContact O-N 3.06Å; Q118-E122 HydrophobicContact CG-CG 4.47Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.23Å; Q118-E122 PolarHBondContact NE2-OE1 3.49Å; Q118-E122 WeakPolarHBondContact O-CG 3.43Å; Q118-E122 PolarHBondContact O-N 3.44Å |
| 119 | Q | 66 | Low | 76 | Confident | 131 Ų | 131 | 89.9 Ų | 89.9 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -41 | 177.7 | -170.5 | 176.3 | 5.9 | 0 | 0 | 111.9 | A115 S116 H117 I123 | A115-Q119 WeakPolarHBondContact O-CB 3.42Å; A115-Q119 PolarHBondContact O-N 2.75Å; S116-Q119 PolarHBondContact O-N 2.67Å; H117-Q119 VanDerWaalsContact C-N 3.33Å; H117-Q119 PolarHBondContact O-N 3.22Å; Q119-I123 HydrophobicContact CG-CD1 4.19Å; Q119-I123 WeakPolarHBondContact O-CD1 3.33Å; Q119-I123 VanDerWaalsContact O-CG1 3.28Å; Q119-I123 WeakPolarHBondContact O-CG1 3.49Å; Q119-I123 PolarHBondContact O-N 3.5Å; Q119-I123 VanDerWaalsContact O-N 3.15Å |
| 120 | T | 69.4 | Low | 76 | Confident | 76 Ų | 76 | 92.9 Ų | 92.9 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 175.6 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | S116 H117 Q118 I123 A124 | S116-T120 PolarHBondContact O-N 3.35Å; S116-T120 PolarHBondContact O-OG1 2.84Å; H117-T120 PolarHBondContact O-N 2.79Å; H117-T120 PolarHBondContact O-OG1 2.83Å; Q118-T120 PolarHBondContact O-N 3.5Å; T120-I123 PolarHBondContact O-N 3.01Å; T120-A124 WeakPolarHBondContact O-CB 3.26Å; T120-A124 PolarHBondContact O-N 3.22Å |
| 121 | D | 74.3 | Confident | 76.1 | Confident | 99 Ų | 99 | 92.2 Ų | 92.2 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.2 | -34.6 | 179.4 | -74.6 | -20.3 | 0 | 0 | 0 | 112.5 | H117 Q118 R125 | H117-D121 PolarHBondContact O-N 3.21Å; Q118-D121 PolarHBondContact O-N 3.06Å; D121-R125 WeakPolarHBondContact O-CB 3.42Å; D121-R125 PolarHBondContact O-N 3Å |
| 122 | E | 82.4 | Confident | 76.1 | Confident | 104 Ų | 104 | 95.1 Ų | 95.1 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.2 | -36.8 | 175.2 | -73.4 | 179.1 | -166.9 | 0 | 0 | 112.2 | Q118 R125 S126 | Q118-E122 HydrophobicContact CG-CG 4.47Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.23Å; Q118-E122 PolarHBondContact NE2-OE1 3.49Å; Q118-E122 WeakPolarHBondContact O-CG 3.43Å; Q118-E122 PolarHBondContact O-N 3.44Å; E122-R125 PolarHBondContact O-N 3.3Å; E122-S126 WeakPolarHBondContact O-CB 3.41Å; E122-S126 PolarHBondContact O-N 3.36Å; E122-S126 PolarHBondContact O-OG 2.88Å |
| 123 | I | 80.9 | Confident | 76.2 | Confident | 89 Ų | 89 | 97.3 Ų | 97.3 | 46% | 0.456 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 171.2 | -65.5 | 165.7 | 0 | 0 | 0 | 110.2 | Q119 T120 R125 S126 L127 | Q119-I123 HydrophobicContact CG-CD1 4.19Å; Q119-I123 WeakPolarHBondContact O-CD1 3.33Å; Q119-I123 VanDerWaalsContact O-CG1 3.28Å; Q119-I123 WeakPolarHBondContact O-CG1 3.49Å; Q119-I123 PolarHBondContact O-N 3.5Å; Q119-I123 VanDerWaalsContact O-N 3.15Å; T120-I123 PolarHBondContact O-N 3.01Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.03Å; I123-S126 WeakPolarHBondContact CA-OG 3.41Å; I123-S126 PolarHBondContact O-N 3.23Å; I123-S126 PolarHBondContact O-OG 3.38Å; I123-L127 HydrophobicContact CG2-CD1 3.91Å; I123-L127 HydrophobicContact CG2-CG 4.47Å; I123-L127 WeakPolarHBondContact O-CB 3.38Å; I123-L127 VanDerWaalsContact O-CG 3.29Å; I123-L127 WeakPolarHBondContact O-CG 3.31Å; I123-L127 PolarHBondContact O-N 2.96Å |
| 124 | A | 83.4 | Confident | 76.1 | Confident | 56 Ų | 56 | 98.6 Ų | 98.6 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T120 K128 | T120-A124 WeakPolarHBondContact O-CB 3.26Å; T120-A124 PolarHBondContact O-N 3.22Å; A124-K128 VanDerWaalsContact O-CB 3.31Å; A124-K128 WeakPolarHBondContact O-CB 3.46Å; A124-K128 PolarHBondContact O-N 3.25Å |
| 125 | R | 84.6 | Confident | 75.9 | Confident | 172 Ų | 172 | 99 Ų | 99 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67 | -44.5 | 177.2 | -173.6 | -175.6 | -62.3 | -171.5 | 1.7 | 112.1 | D121 E122 I123 K128 I129 | D121-R125 WeakPolarHBondContact O-CB 3.42Å; D121-R125 PolarHBondContact O-N 3Å; E122-R125 PolarHBondContact O-N 3.3Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.03Å; R125-K128 PolarHBondContact O-N 2.92Å; R125-I129 HydrophobicContact CG-CD1 4.07Å; R125-I129 WeakPolarHBondContact O-CG1 3.36Å; R125-I129 PolarHBondContact O-N 3.41Å |
| 126 | S | 88.1 | Confident | 75.6 | Confident | 68 Ų | 68 | 98 Ų | 98 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 178.1 | 52.1 | 0 | 0 | 0 | 0 | 112 | E122 I123 K128 I129 F130 | E122-S126 WeakPolarHBondContact O-CB 3.41Å; E122-S126 PolarHBondContact O-N 3.36Å; E122-S126 PolarHBondContact O-OG 2.88Å; I123-S126 WeakPolarHBondContact CA-OG 3.41Å; I123-S126 PolarHBondContact O-N 3.23Å; I123-S126 PolarHBondContact O-OG 3.38Å; S126-K128 VanDerWaalsContact C-N 3.34Å; S126-K128 PolarHBondContact O-N 3.31Å; S126-I129 PolarHBondContact O-N 2.94Å; S126-F130 WeakPolarHBondContact O-CB 3.49Å; S126-F130 PolarHBondContact O-N 3.26Å |
| 127 | L | 87.9 | Confident | 75.1 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.7 | -40.4 | 171.3 | -72.3 | 171.2 | 0 | 0 | 0 | 112.4 | I123 F130 A131 | I123-L127 HydrophobicContact CG2-CD1 3.91Å; I123-L127 HydrophobicContact CG2-CG 4.47Å; I123-L127 WeakPolarHBondContact O-CB 3.38Å; I123-L127 VanDerWaalsContact O-CG 3.29Å; I123-L127 WeakPolarHBondContact O-CG 3.31Å; I123-L127 PolarHBondContact O-N 2.96Å; L127-F130 PolarHBondContact O-N 2.95Å; L127-A131 WeakPolarHBondContact O-CB 3.2Å; L127-A131 PolarHBondContact O-N 3.49Å |
| 128 | K | 85.1 | Confident | 74.5 | Confident | 137 Ų | 137 | 96 Ų | 96 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 176.2 | -177.8 | 174.7 | 178.9 | 177.1 | 0 | 112.4 | A124 R125 S126 A131 Q132 | A124-K128 VanDerWaalsContact O-CB 3.31Å; A124-K128 WeakPolarHBondContact O-CB 3.46Å; A124-K128 PolarHBondContact O-N 3.25Å; R125-K128 PolarHBondContact O-N 2.92Å; S126-K128 VanDerWaalsContact C-N 3.34Å; S126-K128 PolarHBondContact O-N 3.31Å; K128-A131 PolarHBondContact O-N 3.42Å; K128-Q132 WeakPolarHBondContact O-CG 3.37Å; K128-Q132 PolarHBondContact O-N 2.94Å |
| 129 | I | 84.8 | Confident | 74.1 | Confident | 92 Ų | 92 | 97.3 Ų | 97.3 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 176 | -67.7 | 164.9 | 0 | 0 | 0 | 110.3 | R125 S126 A131 Q132 V133 | R125-I129 HydrophobicContact CG-CD1 4.07Å; R125-I129 WeakPolarHBondContact O-CG1 3.36Å; R125-I129 PolarHBondContact O-N 3.41Å; S126-I129 PolarHBondContact O-N 2.94Å; I129-A131 VanDerWaalsContact C-N 3.33Å; I129-A131 PolarHBondContact O-N 3.41Å; I129-Q132 PolarHBondContact O-N 3.31Å; I129-V133 HydrophobicContact CG2-CG2 4.41Å; I129-V133 WeakPolarHBondContact O-CG2 3.43Å; I129-V133 PolarHBondContact O-N 2.98Å |
| 130 | F | 85.9 | Confident | 73.4 | Confident | 144 Ų | 144 | 97.6 Ų | 97.6 | 63% | 0.632 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60 | -42.1 | 176.6 | 179.1 | -96.7 | 0 | 0 | 0 | 112.4 | S126 L127 T134 | S126-F130 WeakPolarHBondContact O-CB 3.49Å; S126-F130 PolarHBondContact O-N 3.26Å; L127-F130 PolarHBondContact O-N 2.95Å; F130-T134 WeakPolarHBondContact O-CB 3.44Å; F130-T134 PolarHBondContact O-N 3.48Å; F130-T134 PolarHBondContact O-OG1 3.45Å |
| 131 | A | 82.4 | Confident | 72.5 | Confident | 47 Ų | 47 | 98.3 Ų | 98.3 | 39% | 0.388 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.5 | -48.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L127 K128 I129 V133 T134 T135 | L127-A131 WeakPolarHBondContact O-CB 3.2Å; L127-A131 PolarHBondContact O-N 3.49Å; K128-A131 PolarHBondContact O-N 3.42Å; I129-A131 VanDerWaalsContact C-N 3.33Å; I129-A131 PolarHBondContact O-N 3.41Å; A131-V133 PolarHBondContact O-N 3.06Å; A131-T134 PolarHBondContact O-N 3.06Å; A131-T134 VanDerWaalsContact O-N 3.12Å; A131-T135 WeakPolarHBondContact O-CG2 3.45Å; A131-T135 PolarHBondContact O-N 2.9Å; A131-T135 PolarHBondContact O-OG1 2.99Å |
| 132 | Q | 79.2 | Confident | 71.4 | Confident | 114 Ų | 114 | 98.2 Ų | 98.2 | 53% | 0.533 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.7 | -40.8 | 178.6 | -75.2 | 177 | -38 | 0 | 0 | 113.4 | K128 I129 T134 T135 G136 | K128-Q132 WeakPolarHBondContact O-CG 3.37Å; K128-Q132 PolarHBondContact O-N 2.94Å; I129-Q132 PolarHBondContact O-N 3.31Å; Q132-T134 VanDerWaalsContact C-N 3.31Å; Q132-T135 PolarHBondContact O-OG1 3.29Å; Q132-G136 PolarHBondContact O-N 3.31Å |
| 133 | V | 75 | Confident | 70.2 | Confident | 108 Ų | 108 | 95.2 Ų | 95.2 | 66% | 0.655 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.4 | -34.8 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111.2 | I129 A131 | I129-V133 HydrophobicContact CG2-CG2 4.41Å; I129-V133 WeakPolarHBondContact O-CG2 3.43Å; I129-V133 PolarHBondContact O-N 2.98Å; A131-V133 PolarHBondContact O-N 3.06Å |
| 134 | T | 71 | Confident | 69.7 | Low | 82 Ų | 82 | 94.1 Ų | 94.1 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.4 | -38.4 | 177.3 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | F130 A131 Q132 | F130-T134 WeakPolarHBondContact O-CB 3.44Å; F130-T134 PolarHBondContact O-N 3.48Å; F130-T134 PolarHBondContact O-OG1 3.45Å; A131-T134 PolarHBondContact O-N 3.06Å; A131-T134 VanDerWaalsContact O-N 3.12Å; Q132-T134 VanDerWaalsContact C-N 3.31Å |
| 135 | T | 64.6 | Low | 69 | Low | 79 Ų | 79 | 98.9 Ų | 98.9 | 49% | 0.485 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -78.3 | -37.4 | 178.9 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | A131 Q132 A137 A138 | A131-T135 WeakPolarHBondContact O-CG2 3.45Å; A131-T135 PolarHBondContact O-N 2.9Å; A131-T135 PolarHBondContact O-OG1 2.99Å; Q132-T135 PolarHBondContact O-OG1 3.29Å; T135-A137 PolarHBondContact O-N 3.28Å; T135-A137 VanDerWaalsContact O-N 3.1Å; T135-A138 WeakPolarHBondContact O-CB 3.3Å; T135-A138 PolarHBondContact O-N 2.96Å |
| 136 | G | 55.2 | Low | 68.2 | Low | 32 Ų | 32 | 96.8 Ų | 96.8 | 33% | 0.33 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.6 | -18.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q132 A138 | Q132-G136 PolarHBondContact O-N 3.31Å; G136-A138 VanDerWaalsContact C-N 3.3Å |
| 137 | A | 51.7 | Low | 67.6 | Low | 76 Ų | 76 | 98.6 Ų | 98.6 | 63% | 0.628 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.4 | -16.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | T135 | T135-A137 PolarHBondContact O-N 3.28Å; T135-A137 VanDerWaalsContact O-N 3.1Å |
| 138 | A | 49.7 | Very low | 67 | Low | 86 Ų | 86 | 97.8 Ų | 97.8 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -93.5 | -21.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T135 G136 | T135-A138 WeakPolarHBondContact O-CB 3.3Å; T135-A138 PolarHBondContact O-N 2.96Å; G136-A138 VanDerWaalsContact C-N 3.3Å |
| 139 | E | 54.3 | Low | 66.7 | Low | 143 Ų | 143 | 96.6 Ų | 96.6 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -109.6 | -2.3 | -168.8 | 60 | -163.7 | 142.9 | 0 | 0 | 115.5 | ||
| 140 | N | 51.2 | Low | 66.3 | Low | 137 Ų | 137 | 98 Ų | 98 | 73% | 0.733 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -118.4 | 11.8 | 173.9 | -74.8 | -77.7 | 0 | 0 | 0 | 114.6 | A142 | N140-A142 PolarHBondContact O-N 3.36Š|
| 141 | A | 50.1 | Low | 65.9 | Low | 91 Ų | 91 | 96.9 Ų | 96.9 | 75% | 0.752 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 20.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 142 | A | 52.3 | Low | 65.5 | Low | 96 Ų | 96 | 101.3 Ų | 101.3 | 79% | 0.793 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | -4.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N140 S144 | N140-A142 PolarHBondContact O-N 3.36Å; A142-S144 PolarHBondContact O-N 3.05Å |
| 143 | G | 57.3 | Low | 65.2 | Low | 42 Ų | 42 | 98.8 Ų | 98.8 | 43% | 0.433 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -69.9 | 109.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 144 | S | 70.1 | Confident | 65.2 | Low | 66 Ų | 66 | 98.3 Ų | 98.3 | 46% | 0.462 | 59% | 0.59 | S | S | . | * | trans | -60.1 | 152.7 | 173.9 | 73.9 | 0 | 0 | 0 | 0 | 110.1 | A142 Q146 D147 | A142-S144 PolarHBondContact O-N 3.05Å; S144-Q146 PolarHBondContact O-N 3.17Å; S144-D147 WeakPolarHBondContact O-CB 3.45Å; S144-D147 PolarHBondContact O-N 3.43Å | ||
| 145 | M | 68.6 | Low | 65.1 | Low | 155 Ų | 155 | 98.9 Ų | 98.9 | 76% | 0.764 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -57.4 | -24.8 | -178.8 | -69.5 | -161.8 | -165.8 | 0 | 0 | 113.3 | D147 M149 | M145-D147 VanDerWaalsContact C-N 3.28Å; M145-D147 PolarHBondContact O-N 3.06Å; M145-M149 HydrophobicContact CB-CE 4.27Å; M145-M149 WeakPolarHBondContact O-CE 3.48Å; M145-M149 WeakPolarHBondContact O-CG 3.48Å; M145-M149 PolarHBondContact O-N 2.98Å |
| 146 | Q | 67.6 | Low | 64.9 | Low | 128 Ų | 128 | 98 Ų | 98 | 60% | 0.598 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -56.4 | -39.5 | 170.6 | -83.7 | 69.2 | 17.1 | 0 | 0 | 112.7 | S144 M149 Q150 | S144-Q146 PolarHBondContact O-N 3.17Å; Q146-M149 PolarHBondContact O-N 3.41Å; Q146-Q150 VanDerWaalsContact O-CB 3.24Å; Q146-Q150 WeakPolarHBondContact O-CB 3.42Å; Q146-Q150 PolarHBondContact O-N 2.84Å |
| 147 | D | 74.9 | Confident | 64.9 | Low | 107 Ų | 107 | 105.7 Ų | 105.7 | 57% | 0.572 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70 | -42.3 | -175.8 | -136.2 | 17.8 | 0 | 0 | 0 | 111 | S144 M145 Q150 E151 | S144-D147 WeakPolarHBondContact O-CB 3.45Å; S144-D147 PolarHBondContact O-N 3.43Å; M145-D147 VanDerWaalsContact C-N 3.28Å; M145-D147 PolarHBondContact O-N 3.06Å; D147-Q150 WeakPolarHBondContact O-CB 3.48Å; D147-Q150 PolarHBondContact O-N 3.5Å; D147-E151 PolarHBondContact O-N 3.24Å |
| 148 | V | 76.8 | Confident | 65.5 | Low | 91 Ų | 91 | 105.4 Ų | 105.4 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.7 | -38.8 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | F152 | V148-F152 PolarHBondContact O-N 3.35Å; V148-F152 VanDerWaalsContact O-N 3.07Å |
| 149 | M | 77.2 | Confident | 65.6 | Low | 113 Ų | 113 | 106.1 Ų | 106.1 | 56% | 0.557 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.7 | -33.6 | 174 | -72.9 | -172.3 | -70.9 | 0 | 0 | 112.4 | M145 Q146 F152 A153 | M145-M149 HydrophobicContact CB-CE 4.27Å; M145-M149 WeakPolarHBondContact O-CE 3.48Å; M145-M149 WeakPolarHBondContact O-CG 3.48Å; M145-M149 PolarHBondContact O-N 2.98Å; Q146-M149 PolarHBondContact O-N 3.41Å; M149-F152 PolarHBondContact O-N 2.92Å; M149-A153 WeakPolarHBondContact O-CB 3.4Å; M149-A153 PolarHBondContact O-N 2.9Å |
| 150 | Q | 76.8 | Confident | 65.4 | Low | 121 Ų | 121 | 107.1 Ų | 107.1 | 57% | 0.565 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.5 | -44.8 | 175.4 | -168.1 | 68.1 | 46.2 | 0 | 0 | 110.5 | Q146 D147 F152 A153 T154 | Q146-Q150 VanDerWaalsContact O-CB 3.24Å; Q146-Q150 WeakPolarHBondContact O-CB 3.42Å; Q146-Q150 PolarHBondContact O-N 2.84Å; D147-Q150 WeakPolarHBondContact O-CB 3.48Å; D147-Q150 PolarHBondContact O-N 3.5Å; Q150-F152 PolarHBondContact O-N 3.5Å; Q150-A153 PolarHBondContact O-N 3.29Å; Q150-T154 WeakPolarHBondContact O-CG2 3.43Å; Q150-T154 PolarHBondContact O-N 3.34Å; Q150-T154 PolarHBondContact O-OG1 3.35Å; Q150-T154 VanDerWaalsContact O-OG1 3.11Å |
| 151 | E | 77.2 | Confident | 65.1 | Low | 120 Ų | 120 | 107.2 Ų | 107.2 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.4 | -44.5 | 173.8 | -179.7 | 176 | -156.1 | 0 | 0 | 111.7 | D147 A153 T154 N155 | D147-E151 PolarHBondContact O-N 3.24Å; E151-A153 VanDerWaalsContact C-N 3.35Å; E151-A153 PolarHBondContact O-N 2.89Å; E151-T154 WeakPolarHBondContact CA-OG1 3.39Å; E151-T154 PolarHBondContact O-N 2.96Å; E151-T154 PolarHBondContact O-OG1 3.4Å; E151-N155 WeakPolarHBondContact CG-ND2 3.42Å; E151-N155 WeakPolarHBondContact O-CB 3.28Å; E151-N155 PolarHBondContact O-N 2.72Å; E151-N155 VanDerWaalsContact O-N 3.1Å; E151-N155 PolarHBondContact O-ND2 3Å |
| 152 | F | 74.4 | Confident | 65.2 | Low | 141 Ų | 141 | 111.3 Ų | 111.3 | 62% | 0.618 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.4 | -41.8 | 176.2 | -173.2 | -97.6 | 0 | 0 | 0 | 112.2 | V148 M149 Q150 | V148-F152 PolarHBondContact O-N 3.35Å; V148-F152 VanDerWaalsContact O-N 3.07Å; M149-F152 PolarHBondContact O-N 2.92Å; Q150-F152 PolarHBondContact O-N 3.5Å |
| 153 | A | 73.9 | Confident | 65 | Low | 61 Ų | 61 | 109.7 Ų | 109.7 | 50% | 0.504 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.8 | -38.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M149 Q150 E151 | M149-A153 WeakPolarHBondContact O-CB 3.4Å; M149-A153 PolarHBondContact O-N 2.9Å; Q150-A153 PolarHBondContact O-N 3.29Å; E151-A153 VanDerWaalsContact C-N 3.35Å; E151-A153 PolarHBondContact O-N 2.89Å |
| 154 | T | 73.4 | Confident | 64 | Low | 98 Ų | 98 | 119.2 Ų | 119.2 | 60% | 0.601 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.2 | -23.8 | 179.6 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | Q150 E151 G156 | Q150-T154 WeakPolarHBondContact O-CG2 3.43Å; Q150-T154 PolarHBondContact O-N 3.34Å; Q150-T154 PolarHBondContact O-OG1 3.35Å; Q150-T154 VanDerWaalsContact O-OG1 3.11Å; E151-T154 WeakPolarHBondContact CA-OG1 3.39Å; E151-T154 PolarHBondContact O-N 2.96Å; E151-T154 PolarHBondContact O-OG1 3.4Å; T154-G156 PolarHBondContact O-N 3Å |
| 155 | N | 70.6 | Confident | 62.7 | Low | 93 Ų | 93 | 124.9 Ų | 124.9 | 50% | 0.497 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | 3.2 | 179.9 | -82.5 | -58.2 | 0 | 0 | 0 | 114.4 | E151 Y157 | E151-N155 WeakPolarHBondContact CG-ND2 3.42Å; E151-N155 WeakPolarHBondContact O-CB 3.28Å; E151-N155 PolarHBondContact O-N 2.72Å; E151-N155 VanDerWaalsContact O-N 3.1Å; E151-N155 PolarHBondContact O-ND2 3Å; N155-Y157 HydrophobicContact CB-CD2 4.46Å; N155-Y157 WeakPolarHBondContact O-CD2 3.46Å; N155-Y157 WeakPolarHBondContact O-CE2 3.37Å; N155-Y157 PolarHBondContact O-N 2.87Å |
| 156 | G | 59.2 | Low | 61 | Low | 60 Ų | 60 | 123.4 Ų | 123.4 | 62% | 0.619 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.7 | 11.4 | 160 | 0 | 0 | 0 | 0 | 0 | 117.3 | T154 | T154-G156 PolarHBondContact O-N 3Š|
| 157 | Y | 55.8 | Low | 59.7 | Low | 194 Ų | 194 | 128.8 Ų | 128.8 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | trans | -95 | 6.3 | 178.7 | -66.7 | -76.2 | 0 | 0 | 0 | 114.6 | N155 S159 | N155-Y157 HydrophobicContact CB-CD2 4.46Å; N155-Y157 WeakPolarHBondContact O-CD2 3.46Å; N155-Y157 WeakPolarHBondContact O-CE2 3.37Å; N155-Y157 PolarHBondContact O-N 2.87Å; Y157-S159 PolarHBondContact O-N 3.4Å | ||
| 158 | A | 63.8 | Low | 57.6 | Low | 70 Ų | 70 | 127 Ų | 127 | 58% | 0.579 | 70% | 0.698 | S | S | * | * | trans | -73.9 | 116 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 159 | S | 52.9 | Low | 55.6 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | trans | -134.2 | 111 | 174.6 | -68.8 | 0 | 0 | 0 | 0 | 109.8 | Y157 D161 | Y157-S159 PolarHBondContact O-N 3.4Å; S159-D161 VanDerWaalsContact C-N 3.26Å; S159-D161 PolarHBondContact O-N 3.41Å | ||
| 160 | D | 49.8 | Very low | 53.7 | Low | 163 Ų | 163 | 127.6 Ų | 127.6 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | trans | -83 | 66.8 | 178.7 | -46.4 | -62.1 | 0 | 0 | 0 | 110.2 | L162 | D160-L162 VanDerWaalsContact C-N 3.33Å; D160-L162 PolarHBondContact O-N 3.02Å | ||
| 161 | D | 43.5 | Very low | 52.1 | Low | 139 Ų | 139 | 127.6 Ų | 127.6 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | -77.4 | 85.7 | -177.4 | -151 | -40.2 | 0 | 0 | 0 | 111.7 | S159 G163 | S159-D161 VanDerWaalsContact C-N 3.26Å; S159-D161 PolarHBondContact O-N 3.41Å; D161-G163 PolarHBondContact OD1-N 3.42Å | ||
| 162 | L | 53.1 | Low | 50.4 | Low | 177 Ų | 177 | 127.5 Ų | 127.5 | 93% | 0.927 | 74% | 0.743 | S | S | * | * | trans | -113 | 51.8 | 157.7 | -146.5 | 75.6 | 0 | 0 | 0 | 111.4 | D160 | D160-L162 VanDerWaalsContact C-N 3.33Å; D160-L162 PolarHBondContact O-N 3.02Å | ||
| 163 | G | 47 | Very low | 48.6 | Very low | 63 Ų | 63 | 129.5 Ų | 129.5 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | 91.1 | 97.7 | 146 | 0 | 0 | 0 | 0 | 0 | 117 | D161 | D161-G163 PolarHBondContact OD1-N 3.42Š| ||
| 164 | R | 36.9 | Very low | 46.6 | Very low | 242 Ų | 242 | 133.1 Ų | 133.1 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | -150.7 | 108.9 | 137.6 | -155.3 | 173 | -177.7 | -166.8 | 0.3 | 113.5 | ||||
| 165 | M | 42.7 | Very low | 44.8 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -64.1 | 134.6 | 169.8 | -28.9 | 171.8 | -175.6 | 0 | 0 | 110.3 | ||||
| 166 | S | 34.3 | Very low | 43.1 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -165.6 | 144 | 140.9 | -127.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 167 | Y | 38.9 | Very low | 42.1 | Very low | 242 Ų | 242 | 143.4 Ų | 143.4 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | trans | -71.7 | 149.1 | -177 | -78.2 | -108.9 | 0 | 0 | 0 | 113.1 | ||||
| 168 | G | 32.3 | Very low | 41.2 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 162.6 | 118.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 169 | S | 34.1 | Very low | 39.7 | Very low | 125 Ų | 125 | 146 Ų | 146 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | 78.3 | 110.5 | 143.7 | -53.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 170 | A | 37.1 | Very low | 38.6 | Very low | 93 Ų | 93 | 149.5 Ų | 149.5 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | 30.9 | 136.3 | 140.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 171 | P | 43.3 | Very low | 37.8 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 144.1 | 174.4 | 34.2 | -34.7 | 0 | 0 | 0 | 113.3 | ||
| 172 | P | 41.3 | Very low | 37.3 | Very low | 118 Ų | 118 | 153 Ų | 153 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 146.4 | 169.8 | 32.7 | -33 | 0 | 0 | 0 | 112.4 | ||
| 173 | Q | 36.1 | Very low | 36.2 | Very low | 183 Ų | 183 | 152 Ų | 152 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78 | 150.1 | 169.6 | -67.7 | -86.3 | -74.5 | 0 | 0 | 110.8 | ||
| 174 | V | 33.6 | Very low | 35.4 | Very low | 137 Ų | 137 | 157.8 Ų | 157.8 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | trans | -131.4 | 130.3 | 170.3 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 175 | Q | 34.1 | Very low | 35.1 | Very low | 175 Ų | 175 | 153 Ų | 153 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 152.8 | -177.7 | -110.2 | 85.2 | -17.3 | 0 | 0 | 114.7 | ||
| 176 | M | 35 | Very low | 34.5 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 155.1 | 156.5 | -68.2 | -140.7 | -53.9 | 0 | 0 | 111.2 | ||
| 177 | P | 38.4 | Very low | 34.1 | Very low | 119 Ų | 119 | 150 Ų | 150 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 159.1 | -176.7 | 33 | -36.3 | 0 | 0 | 0 | 114.1 | ||
| 178 | P | 37.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 146.3 Ų | 146.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 148.9 | -175.6 | 35.3 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 179 | Q | 30.8 | Very low | 33.8 | Very low | 192 Ų | 192 | 151.8 Ų | 151.8 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 145.7 | 164.7 | -80.9 | -102.1 | -72.9 | 0 | 0 | 110.7 | ||
| 180 | Q | 31.1 | Very low | 33.6 | Very low | 175 Ų | 175 | 153.4 Ų | 153.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77 | 133.6 | -176 | -66.1 | 174.3 | -28.2 | 0 | 0 | 112.4 | ||
| 181 | Q | 32.3 | Very low | 34.3 | Very low | 192 Ų | 192 | 153.8 Ų | 153.8 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -106.4 | 131.1 | 163.1 | -79.6 | -175.3 | -37.1 | 0 | 0 | 110.4 | ||||
| 182 | H | 32.4 | Very low | 33.6 | Very low | 183 Ų | 183 | 156.1 Ų | 156.1 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -85.9 | 167 | 168.2 | -82.7 | 86.2 | 0 | 0 | 0 | 111.4 | ||||
| 183 | Q | 31.4 | Very low | 32.9 | Very low | 158 Ų | 158 | 154 Ų | 154 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -132.9 | 137 | -143.1 | 169.4 | -172.6 | 82.5 | 0 | 0 | 112.8 | ||||
| 184 | Q | 28.7 | Very low | 32.6 | Very low | 183 Ų | 183 | 157.6 Ų | 157.6 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -170.3 | 120.4 | 144.1 | -103.6 | 159.9 | 36.8 | 0 | 0 | 108.7 | ||||
| 185 | Q | 31.9 | Very low | 32.4 | Very low | 143 Ų | 143 | 158.4 Ų | 158.4 | 67% | 0.668 | 82% | 0.819 | S | S | * | * | 66.2 | 131.7 | 64.3 | -89.4 | -165.7 | 22.6 | 0 | 0 | 113.3 | |||||
| 186 | Q | 29.8 | Very low | 33.1 | Very low | 167 Ų | 167 | 155.5 Ų | 155.5 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | cis | -146.5 | 153.9 | 7.8 | -51.8 | 178 | -9.6 | 0 | 0 | 109.5 | ||||
| 187 | G | 25.6 | Very low | 32.8 | Very low | 76 Ų | 76 | 151.6 Ų | 151.6 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | 74.4 | 133.3 | 98.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 188 | L | 34.3 | Very low | 32.4 | Very low | 165 Ų | 165 | 155.4 Ų | 155.4 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | cis | -166 | 165.4 | 18 | -106.5 | 165.3 | 0 | 0 | 0 | 113 | ||||
| 189 | H | 30.8 | Very low | 32 | Very low | 184 Ų | 184 | 158.1 Ų | 158.1 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | trans | 79.8 | 171.6 | 155.9 | 87.3 | -166.3 | 0 | 0 | 0 | 123.1 | ||||
| 190 | L | 30.3 | Very low | 32 | Very low | 159 Ų | 159 | 158 Ų | 158 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -143.8 | -174.2 | -135.9 | -147.1 | 81.7 | 0 | 0 | 0 | 112.2 | ||||
| 191 | P | 51.8 | Low | 32 | Very low | 101 Ų | 101 | 154 Ų | 154 | 66% | 0.656 | 82% | 0.821 | S | S | * | * | -113.3 | 174.4 | -93 | 38.4 | -23.3 | 0 | 0 | 0 | 115.4 | |||||
| 192 | L | 29.1 | Very low | 32 | Very low | 169 Ų | 169 | 152.8 Ų | 152.8 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -176.9 | 131.1 | 130.3 | -123.6 | 69 | 0 | 0 | 0 | 114.9 | ||||
| 193 | G | 26 | Very low | 31.8 | Very low | 73 Ų | 73 | 147.7 Ų | 147.7 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | 80.5 | 117 | 126 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 194 | R | 29.9 | Very low | 31.6 | Very low | 258 Ų | 258 | 143.6 Ų | 143.6 | 97% | 0.974 | 82% | 0.818 | S | S | * | * | trans | 77.2 | 114.2 | 148.5 | -77.7 | -177.9 | 167.7 | 175.3 | -4.2 | 121.7 | ||||
| 195 | N | 30.2 | Very low | 32.3 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -69.7 | 174.4 | 156.8 | -84.9 | -37.6 | 0 | 0 | 0 | 113.5 | ||||
| 196 | P | 47.9 | Very low | 32.8 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | cis | -134.2 | -171.9 | -22.9 | 32.6 | -12.4 | 0 | 0 | 0 | 113.9 | ||||
| 197 | A | 28.6 | Very low | 33.6 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | 101.7 | 147.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 198 | Q | 29 | Very low | 34.7 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | trans | 77.7 | 106.3 | -179.8 | -47.8 | -135.3 | -71.3 | 0 | 0 | 116.3 | ||||
| 199 | L | 30.4 | Very low | 35.7 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | trans | -116.2 | 116 | 162.2 | -89.6 | 169.8 | 0 | 0 | 0 | 108.6 | ||||
| 200 | Q | 31.2 | Very low | 36.9 | Very low | 189 Ų | 189 | 139 Ų | 139 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -148.7 | 139.7 | 164.5 | -173.6 | 163.7 | -6.2 | 0 | 0 | 108.5 | ||||
| 201 | A | 31.1 | Very low | 38.2 | Very low | 93 Ų | 93 | 139 Ų | 139 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | 67.3 | 148.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 202 | N | 31.3 | Very low | 38.3 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | cis | -165 | 157.1 | -30.5 | -154 | -2.4 | 0 | 0 | 0 | 109.1 | ||||
| 203 | G | 28.2 | Very low | 39.6 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 92.9 | 111 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 204 | G | 27.7 | Very low | 41.2 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | 176.4 | 72 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L206 | G204-L206 PolarHBondContact O-N 2.9Š| ||
| 205 | N | 43.4 | Very low | 42.8 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | -23.9 | 103.4 | -172.6 | -73.9 | -50.3 | 0 | 0 | 0 | 117.6 | ||||
| 206 | L | 41.8 | Very low | 44.5 | Very low | 163 Ų | 163 | 125.4 Ų | 125.4 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | -123.4 | 112.6 | 152.6 | -75.9 | 168.2 | 0 | 0 | 0 | 107.3 | G204 P208 | G204-L206 PolarHBondContact O-N 2.9Å; L206-P208 WeakPolarHBondContact O-CD 3.3Å | ||
| 207 | M | 47.1 | Very low | 45.3 | Very low | 168 Ų | 168 | 123 Ų | 123 | 83% | 0.828 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 121.2 | 178.9 | -65 | -70 | -89.1 | 0 | 0 | 109.2 | I209 | M207-I209 PolarHBondContact O-N 3.44Š|
| 208 | P | 49.4 | Very low | 47.4 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 117.6 | 174.8 | -16.2 | 30.5 | 0 | 0 | 0 | 109.3 | L206 P210 | L206-P208 WeakPolarHBondContact O-CD 3.3Å; P208-P210 WeakPolarHBondContact O-CD 3.43Å |
| 209 | I | 54.6 | Low | 49.6 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 66% | 0.662 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 122.4 | 166.7 | -60.8 | 175.8 | 0 | 0 | 0 | 106.4 | M207 T213 | M207-I209 PolarHBondContact O-N 3.44Å; I209-T213 HydrophobicContact CG2-CG2 4.3Å |
| 210 | P | 57.1 | Low | 51.7 | Low | 81 Ų | 81 | 119.3 Ų | 119.3 | 53% | 0.526 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -63 | 145.3 | -176.1 | 23.5 | -31.2 | 0 | 0 | 0 | 110.1 | P208 A212 T213 | P208-P210 WeakPolarHBondContact O-CD 3.43Å; P210-A212 PolarHBondContact O-N 2.91Å; P210-T213 PolarHBondContact O-N 3.46Å; P210-T213 PolarHBondContact O-OG1 3.39Å |
| 211 | L | 57.3 | Low | 53.6 | Low | 159 Ų | 159 | 115.6 Ų | 115.6 | 83% | 0.832 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -54.9 | -25.2 | -179.5 | -79.2 | 108.5 | 0 | 0 | 0 | 113.1 | T213 H214 | L211-T213 PolarHBondContact O-N 2.94Å; L211-H214 WeakPolarHBondContact O-CB 3.33Å; L211-H214 PolarHBondContact O-N 2.96Å; L211-H214 VanDerWaalsContact O-N 3.1Å |
| 212 | A | 54.1 | Low | 55.7 | Low | 63 Ų | 63 | 116.9 Ų | 116.9 | 52% | 0.521 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.7 | -16.6 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | P210 W215 | P210-A212 PolarHBondContact O-N 2.91Å; A212-W215 PolarHBondContact O-NE1 3Å |
| 213 | T | 55.6 | Low | 57.6 | Low | 48 Ų | 48 | 113.3 Ų | 113.3 | 29% | 0.294 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -94.2 | -21.7 | 174 | -24.7 | 0 | 0 | 0 | 0 | 112.3 | I209 P210 L211 L216 N217 | I209-T213 HydrophobicContact CG2-CG2 4.3Å; P210-T213 PolarHBondContact O-N 3.46Å; P210-T213 PolarHBondContact O-OG1 3.39Å; L211-T213 PolarHBondContact O-N 2.94Å; T213-L216 PolarHBondContact O-N 3.28Å; T213-N217 PolarHBondContact O-N 3.41Å; T213-N217 VanDerWaalsContact O-N 3.1Å; T213-N217 PolarHBondContact O-ND2 3.42Å |
| 214 | H | 58.9 | Low | 59.7 | Low | 124 Ų | 124 | 114 Ų | 114 | 57% | 0.574 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.7 | -37.6 | -176.9 | -167.6 | 86.7 | 0 | 0 | 0 | 112.1 | L211 N218 | L211-H214 WeakPolarHBondContact O-CB 3.33Å; L211-H214 PolarHBondContact O-N 2.96Å; L211-H214 VanDerWaalsContact O-N 3.1Å; H214-N218 PolarHBondContact CD2-ND2 3.46Å; H214-N218 PolarHBondContact NE2-ND2 3.5Å; H214-N218 PolarHBondContact O-N 3.26Å; H214-N218 PolarHBondContact O-ND2 3.39Å |
| 215 | W | 64.8 | Low | 62 | Low | 154 Ų | 154 | 114.9 Ų | 114.9 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.6 | -37.6 | 175.4 | 79 | -90.7 | 0 | 0 | 0 | 112.4 | A212 N217 N218 Y219 | A212-W215 PolarHBondContact O-NE1 3Å; W215-N217 VanDerWaalsContact C-N 3.35Å; W215-N217 PolarHBondContact O-N 3.4Å; W215-N218 PolarHBondContact O-N 3.46Å; W215-Y219 VanDerWaalsContact O-CB 3.25Å; W215-Y219 WeakPolarHBondContact O-CB 3.39Å; W215-Y219 PolarHBondContact O-N 3Å |
| 216 | L | 65.9 | Low | 63.5 | Low | 82 Ų | 82 | 110.5 Ų | 110.5 | 43% | 0.429 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.4 | -38.9 | 176.1 | -83 | 164.1 | 0 | 0 | 0 | 112.1 | T213 R220 | T213-L216 PolarHBondContact O-N 3.28Å; L216-R220 WeakPolarHBondContact O-CB 3.47Å; L216-R220 PolarHBondContact O-N 2.87Å |
| 217 | N | 64.4 | Low | 64.8 | Low | 65 Ų | 65 | 111.2 Ų | 111.2 | 35% | 0.348 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.1 | -48.8 | 175.1 | -69.7 | -26.6 | 0 | 0 | 0 | 111.4 | T213 W215 Y219 R220 E221 | T213-N217 PolarHBondContact O-N 3.41Å; T213-N217 VanDerWaalsContact O-N 3.1Å; T213-N217 PolarHBondContact O-ND2 3.42Å; W215-N217 VanDerWaalsContact C-N 3.35Å; W215-N217 PolarHBondContact O-N 3.4Å; N217-Y219 VanDerWaalsContact C-N 3.26Å; N217-Y219 PolarHBondContact O-N 3.4Å; N217-R220 WeakPolarHBondContact O-CB 3.38Å; N217-R220 PolarHBondContact O-N 2.85Å; N217-R220 VanDerWaalsContact O-N 3.14Å; N217-E221 WeakPolarHBondContact O-CG 3.4Å; N217-E221 PolarHBondContact O-N 3.4Å |
| 218 | N | 72.7 | Confident | 65.8 | Low | 79 Ų | 79 | 110.8 Ų | 110.8 | 42% | 0.422 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -54.6 | -41.9 | 173 | -88.7 | -99.6 | 0 | 0 | 0 | 112.2 | H214 W215 E221 H222 | H214-N218 PolarHBondContact CD2-ND2 3.46Å; H214-N218 PolarHBondContact NE2-ND2 3.5Å; H214-N218 PolarHBondContact O-N 3.26Å; H214-N218 PolarHBondContact O-ND2 3.39Å; W215-N218 PolarHBondContact O-N 3.46Å; N218-E221 PolarHBondContact O-N 2.85Å; N218-H222 VanDerWaalsContact O-CB 3.3Å; N218-H222 WeakPolarHBondContact O-CB 3.38Å; N218-H222 PolarHBondContact O-N 3.45Å |
| 219 | Y | 75.1 | Confident | 66.6 | Low | 139 Ų | 139 | 110.9 Ų | 110.9 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 179.3 | -169 | -105.8 | 0 | 0 | 0 | 112.1 | W215 N217 H222 L223 | W215-Y219 VanDerWaalsContact O-CB 3.25Å; W215-Y219 WeakPolarHBondContact O-CB 3.39Å; W215-Y219 PolarHBondContact O-N 3Å; N217-Y219 VanDerWaalsContact C-N 3.26Å; N217-Y219 PolarHBondContact O-N 3.4Å; Y219-H222 PolarHBondContact O-N 3.43Å; Y219-L223 HydrophobicContact CD1-CD1 3.99Å; Y219-L223 HydrophobicContact CE1-CD1 3.62Å; Y219-L223 HydrophobicContact CE1-CG 4.28Å; Y219-L223 WeakPolarHBondContact O-CG 3.3Å; Y219-L223 PolarHBondContact O-N 2.91Å |
| 220 | R | 73.8 | Confident | 66.9 | Low | 177 Ų | 177 | 111.1 Ų | 111.1 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.3 | -41.4 | 172.3 | -96.9 | -178.9 | 164.1 | 152 | -3.1 | 112.8 | L216 N217 N224 | L216-R220 WeakPolarHBondContact O-CB 3.47Å; L216-R220 PolarHBondContact O-N 2.87Å; N217-R220 WeakPolarHBondContact O-CB 3.38Å; N217-R220 PolarHBondContact O-N 2.85Å; N217-R220 VanDerWaalsContact O-N 3.14Å; R220-N224 PolarHBondContact O-N 3.32Å; R220-N224 VanDerWaalsContact O-N 3.09Å; R220-N224 PolarHBondContact O-ND2 2.97Å |
| 221 | E | 72.4 | Confident | 66.9 | Low | 111 Ų | 111 | 110.5 Ų | 110.5 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 177.8 | -72.1 | 163.8 | -155.7 | 0 | 0 | 110.9 | N217 N218 L223 N224 N225 | N217-E221 WeakPolarHBondContact O-CG 3.4Å; N217-E221 PolarHBondContact O-N 3.4Å; N218-E221 PolarHBondContact O-N 2.85Å; E221-L223 PolarHBondContact O-N 2.93Å; E221-N224 PolarHBondContact O-N 3.38Å; E221-N225 PolarHBondContact O-N 3.49Å; E221-N225 PolarHBondContact O-ND2 3.44Å |
| 222 | H | 74.8 | Confident | 66.6 | Low | 120 Ų | 120 | 112.7 Ų | 112.7 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 175.7 | -166 | -82.8 | 0 | 0 | 0 | 112.2 | N218 Y219 N225 V226 | N218-H222 VanDerWaalsContact O-CB 3.3Å; N218-H222 WeakPolarHBondContact O-CB 3.38Å; N218-H222 PolarHBondContact O-N 3.45Å; Y219-H222 PolarHBondContact O-N 3.43Å; H222-N225 PolarHBondContact O-N 3.43Å; H222-V226 WeakPolarHBondContact O-CG2 3.25Å; H222-V226 PolarHBondContact O-N 3Å |
| 223 | L | 70.8 | Confident | 66.3 | Low | 90 Ų | 90 | 116 Ų | 116 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 174.5 | -70 | 177.6 | 0 | 0 | 0 | 112.4 | Y219 E221 V226 W227 | Y219-L223 HydrophobicContact CD1-CD1 3.99Å; Y219-L223 HydrophobicContact CE1-CD1 3.62Å; Y219-L223 HydrophobicContact CE1-CG 4.28Å; Y219-L223 WeakPolarHBondContact O-CG 3.3Å; Y219-L223 PolarHBondContact O-N 2.91Å; E221-L223 PolarHBondContact O-N 2.93Å; L223-V226 PolarHBondContact O-N 3.44Å; L223-W227 WeakPolarHBondContact O-CB 3.47Å; L223-W227 PolarHBondContact O-N 3.27Å |
| 224 | N | 72.8 | Confident | 65.7 | Low | 91 Ų | 91 | 118.7 Ų | 118.7 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.4 | -39 | 173.9 | -88.8 | -83.7 | 0 | 0 | 0 | 112.4 | R220 E221 W227 R228 | R220-N224 PolarHBondContact O-N 3.32Å; R220-N224 VanDerWaalsContact O-N 3.09Å; R220-N224 PolarHBondContact O-ND2 2.97Å; E221-N224 PolarHBondContact O-N 3.38Å; N224-W227 PolarHBondContact O-N 3.04Å; N224-R228 WeakPolarHBondContact O-CB 3.44Å; N224-R228 VanDerWaalsContact O-CG 3.31Å; N224-R228 WeakPolarHBondContact O-CG 3.31Å; N224-R228 PolarHBondContact O-N 3.33Å |
| 225 | N | 75.4 | Confident | 65 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.1 | -41 | 177 | -72.5 | -29.9 | 0 | 0 | 0 | 111.9 | E221 H222 R228 N229 | E221-N225 PolarHBondContact O-N 3.49Å; E221-N225 PolarHBondContact O-ND2 3.44Å; H222-N225 PolarHBondContact O-N 3.43Å; N225-R228 PolarHBondContact O-N 3.08Å; N225-N229 WeakPolarHBondContact O-CB 3.42Å; N225-N229 VanDerWaalsContact O-CG 3.27Å; N225-N229 PolarHBondContact O-N 3.42Å |
| 226 | V | 75.9 | Confident | 64 | Low | 67 Ų | 67 | 114.1 Ų | 114.1 | 41% | 0.406 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.7 | -43.9 | 172.4 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | H222 L223 N229 M230 | H222-V226 WeakPolarHBondContact O-CG2 3.25Å; H222-V226 PolarHBondContact O-N 3Å; L223-V226 PolarHBondContact O-N 3.44Å; V226-N229 PolarHBondContact O-N 2.9Å; V226-M230 WeakPolarHBondContact O-CB 3.33Å; V226-M230 PolarHBondContact O-N 2.9Å |
| 227 | W | 68.3 | Low | 63.1 | Low | 177 Ų | 177 | 115.5 Ų | 115.5 | 67% | 0.67 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.5 | -40.6 | 177.8 | -173.1 | 85.9 | 0 | 0 | 0 | 112.8 | L223 N224 M230 S231 | L223-W227 WeakPolarHBondContact O-CB 3.47Å; L223-W227 PolarHBondContact O-N 3.27Å; N224-W227 PolarHBondContact O-N 3.04Å; W227-M230 PolarHBondContact O-N 3.23Å; W227-S231 WeakPolarHBondContact O-CB 3.28Å; W227-S231 PolarHBondContact O-N 3.08Å; W227-S231 PolarHBondContact O-OG 2.86Å |
| 228 | R | 68.6 | Low | 62.1 | Low | 159 Ų | 159 | 120.3 Ų | 120.3 | 60% | 0.6 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.8 | -41.2 | 173.8 | -79.5 | 173.6 | 164.3 | -106.4 | -2.2 | 112.7 | N224 N225 S231 Y232 | N224-R228 WeakPolarHBondContact O-CB 3.44Å; N224-R228 VanDerWaalsContact O-CG 3.31Å; N224-R228 WeakPolarHBondContact O-CG 3.31Å; N224-R228 PolarHBondContact O-N 3.33Å; N225-R228 PolarHBondContact O-N 3.08Å; R228-S231 WeakPolarHBondContact CA-OG 3.47Å; R228-S231 PolarHBondContact O-N 2.72Å; R228-S231 PolarHBondContact O-OG 3.28Å; R228-S231 VanDerWaalsContact O-OG 3.08Å; R228-Y232 PolarHBondContact O-N 2.87Å |
| 229 | N | 65.3 | Low | 60.5 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 65% | 0.652 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.5 | -33.6 | 177.4 | -70.3 | -6.4 | 0 | 0 | 0 | 112.1 | N225 V226 S231 Y232 | N225-N229 WeakPolarHBondContact O-CB 3.42Å; N225-N229 VanDerWaalsContact O-CG 3.27Å; N225-N229 PolarHBondContact O-N 3.42Å; V226-N229 PolarHBondContact O-N 2.9Å; N229-S231 VanDerWaalsContact C-N 3.32Å; N229-Y232 PolarHBondContact O-N 3.41Å |
| 230 | M | 60.9 | Low | 58.9 | Low | 135 Ų | 135 | 125.5 Ų | 125.5 | 67% | 0.665 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.4 | -28.1 | 174.6 | -159.8 | 74.2 | 75.4 | 0 | 0 | 112.5 | V226 W227 | V226-M230 WeakPolarHBondContact O-CB 3.33Å; V226-M230 PolarHBondContact O-N 2.9Å; W227-M230 PolarHBondContact O-N 3.23Å |
| 231 | S | 57.3 | Low | 57 | Low | 68 Ų | 68 | 120.7 Ų | 120.7 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -86.8 | -8.5 | 177.2 | 46.6 | 0 | 0 | 0 | 0 | 114.3 | W227 R228 N229 | W227-S231 WeakPolarHBondContact O-CB 3.28Å; W227-S231 PolarHBondContact O-N 3.08Å; W227-S231 PolarHBondContact O-OG 2.86Å; R228-S231 WeakPolarHBondContact CA-OG 3.47Å; R228-S231 PolarHBondContact O-N 2.72Å; R228-S231 PolarHBondContact O-OG 3.28Å; R228-S231 VanDerWaalsContact O-OG 3.08Å; N229-S231 VanDerWaalsContact C-N 3.32Å |
| 232 | Y | 51.3 | Low | 55.3 | Low | 205 Ų | 205 | 124 Ų | 124 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | trans | -118.7 | 63.7 | 173.6 | -95.2 | -91.1 | 0 | 0 | 0 | 112 | R228 N229 P234 | R228-Y232 PolarHBondContact O-N 2.87Å; N229-Y232 PolarHBondContact O-N 3.41Å; Y232-P234 VanDerWaalsContact O-CD 3.3Å; Y232-P234 WeakPolarHBondContact O-CD 3.38Å | ||
| 233 | I | 46.9 | Very low | 53.4 | Low | 131 Ų | 131 | 127.1 Ų | 127.1 | 67% | 0.672 | 69% | 0.693 | S | S | * | * | trans | -97.7 | 100.8 | 157.8 | -59.3 | 176.9 | 0 | 0 | 0 | 107.7 | A235 | I233-A235 PolarHBondContact O-N 3.2Š| ||
| 234 | P | 42.6 | Very low | 51.7 | Low | 105 Ų | 105 | 127.1 Ų | 127.1 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | trans | -67.8 | 127.1 | 166 | 28.8 | -31.9 | 0 | 0 | 0 | 108.6 | Y232 A236 | Y232-P234 VanDerWaalsContact O-CD 3.3Å; Y232-P234 WeakPolarHBondContact O-CD 3.38Å; P234-A236 VanDerWaalsContact C-N 3.32Å; P234-A236 PolarHBondContact O-N 3.09Å | ||
| 235 | A | 45.3 | Very low | 50 | Low | 101 Ų | 101 | 131.6 Ų | 131.6 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | trans | -70.7 | 87 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | I233 | I233-A235 PolarHBondContact O-N 3.2Š| ||
| 236 | A | 43.7 | Very low | 47.9 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | trans | -72.2 | 127.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | P234 | P234-A236 VanDerWaalsContact C-N 3.32Å; P234-A236 PolarHBondContact O-N 3.09Å | ||
| 237 | P | 46.7 | Very low | 45.8 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -74.1 | 131.9 | 173.3 | 29.8 | -32.6 | 0 | 0 | 0 | 110.4 | T239 | P237-T239 PolarHBondContact O-N 2.88Å; P237-T239 VanDerWaalsContact O-N 3.17Å | ||
| 238 | N | 44.5 | Very low | 44.1 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -69.8 | 108.9 | 175.1 | -69.1 | -68.2 | 0 | 0 | 0 | 110.9 | ||||
| 239 | T | 38.7 | Very low | 42.4 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -132 | 101.5 | 163.2 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | P237 | P237-T239 PolarHBondContact O-N 2.88Å; P237-T239 VanDerWaalsContact O-N 3.17Å | ||
| 240 | M | 40.3 | Very low | 40.9 | Very low | 198 Ų | 198 | 130.9 Ų | 130.9 | 98% | 0.975 | 79% | 0.785 | S | S | * | * | trans | -88.1 | 124.4 | 172.6 | -80.1 | -166.1 | 170.7 | 0 | 0 | 111.5 | ||||
| 241 | G | 34.2 | Very low | 39.6 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | 65.2 | 91.9 | 127.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 242 | L | 36.5 | Very low | 38.6 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | trans | -149.3 | 90.6 | 148.4 | -118.5 | 163 | 0 | 0 | 0 | 109 | ||||
| 243 | Q | 36.5 | Very low | 37.9 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -124.6 | 104 | 171.9 | -172.6 | 155.1 | 0.8 | 0 | 0 | 110.1 | ||||
| 244 | A | 34.3 | Very low | 37.4 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -70 | 142.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 245 | Q | 36.1 | Very low | 36.8 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -106.5 | 133.8 | 172.9 | -68 | -179.8 | -5.4 | 0 | 0 | 109.8 | ||||
| 246 | T | 31.3 | Very low | 36.5 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | trans | -136.4 | 111.6 | 164.8 | 50 | 0 | 0 | 0 | 0 | 111 | ||||
| 247 | A | 33.4 | Very low | 35.9 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | trans | 50.4 | 119 | 148.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 248 | A | 32.5 | Very low | 35.5 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | -162.5 | 104 | 122.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 249 | T | 33.3 | Very low | 34.9 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | 27.3 | 156.9 | 140.2 | 54.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 250 | V | 33.1 | Very low | 34.7 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 84% | 0.842 | 83% | 0.828 | S | S | * | * | trans | 74.4 | 133.1 | 170.9 | -55.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 251 | S | 32.8 | Very low | 34.2 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | cis | -153.5 | -176.3 | 1.1 | -117.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 252 | T | 36.9 | Very low | 34.2 | Very low | 129 Ų | 129 | 132 Ų | 132 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -79.1 | 141.9 | -156.9 | 49.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 253 | N | 36.9 | Very low | 34.8 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | 60.7 | 115.9 | 125.9 | -165.6 | 22.6 | 0 | 0 | 0 | 122.1 | |||||
| 254 | L | 35.3 | Very low | 34.7 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | -169.7 | 145.4 | 117.7 | -124.3 | 70.6 | 0 | 0 | 0 | 109.9 | |||||
| 255 | G | 31.6 | Very low | 34.6 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | -139.5 | 147.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 256 | V | 38 | Very low | 34.6 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | trans | -159.1 | 147.9 | 162.3 | -174.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 257 | G | 30.4 | Very low | 34.7 | Very low | 56 Ų | 56 | 128.1 Ų | 128.1 | 58% | 0.577 | 82% | 0.816 | S | S | * | * | cis | 154.1 | 143.2 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 258 | M | 38.3 | Very low | 35 | Very low | 196 Ų | 196 | 131.3 Ų | 131.3 | 97% | 0.966 | 81% | 0.813 | S | S | * | * | trans | 68.8 | 135.2 | -168.8 | -41 | -55.6 | 176.5 | 0 | 0 | 112.6 | ||||
| 259 | G | 32.8 | Very low | 35.1 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | cis | 123.6 | 138.8 | 35 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 260 | L | 34.8 | Very low | 35.3 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 97% | 0.969 | 83% | 0.826 | S | S | * | * | cis | -152.8 | 160.5 | 15.2 | -69.3 | 158.6 | 0 | 0 | 0 | 109 | ||||
| 261 | G | 30.5 | Very low | 35.3 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | 122 | 99.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 262 | L | 32.6 | Very low | 35.2 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | trans | -132.4 | 173.1 | 163.4 | -79.2 | 169.3 | 0 | 0 | 0 | 107.1 | ||||
| 263 | P | 50 | Low | 35.5 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 66% | 0.662 | 83% | 0.827 | S | S | * | * | cis | -129.7 | 174.5 | -47 | 37.4 | -22.9 | 0 | 0 | 0 | 111.6 | ||||
| 264 | V | 33 | Very low | 35.6 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 90% | 0.903 | 83% | 0.834 | S | S | * | * | trans | -98.8 | 126.3 | 164.6 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 265 | Q | 33 | Very low | 35.8 | Very low | 173 Ų | 173 | 135 Ų | 135 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | trans | -84.4 | 148.5 | 173.9 | -73.2 | 172.9 | -20.5 | 0 | 0 | 110.8 | ||||
| 266 | G | 35.5 | Very low | 36.1 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | trans | -109.8 | 135.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 267 | E | 34.7 | Very low | 36.1 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 91% | 0.907 | 83% | 0.828 | S | S | * | * | trans | -108.2 | 136.1 | 178 | -96.8 | 167.9 | 116.5 | 0 | 0 | 112.7 | ||||
| 268 | Q | 39.4 | Very low | 36.9 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | trans | -54.4 | 150.6 | 168.5 | -123.9 | 87.7 | -31.3 | 0 | 0 | 111.2 | ||||
| 269 | L | 35.1 | Very low | 37.2 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 93% | 0.932 | 83% | 0.832 | S | S | * | * | -165.7 | 169.8 | 122.3 | -102.8 | 166.2 | 0 | 0 | 0 | 111.6 | |||||
| 270 | R | 37.3 | Very low | 37.9 | Very low | 237 Ų | 237 | 142.2 Ų | 142.2 | 89% | 0.894 | 83% | 0.829 | S | S | * | * | trans | -127.4 | 128.3 | -144.6 | 172 | -170 | -76.6 | -137.1 | -0.6 | 113.4 | ||||
| 271 | G | 31.8 | Very low | 38.8 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | 89.1 | 120.3 | 133.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 272 | A | 32.2 | Very low | 39.6 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | trans | -154.7 | 137.5 | 138.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 273 | S | 42.6 | Very low | 40.6 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | -98.9 | 154.2 | -176.7 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 274 | N | 38.5 | Very low | 40.6 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -162.4 | 147.9 | 136.5 | -99 | -22.4 | 0 | 0 | 0 | 113.3 | ||||
| 275 | S | 39.6 | Very low | 41.6 | Very low | 110 Ų | 110 | 149 Ų | 149 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -81.8 | 155.4 | -169 | -57.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 276 | S | 38.8 | Very low | 42.3 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | -169.2 | 133.5 | 118.5 | -84.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 277 | N | 38.4 | Very low | 42.9 | Very low | 155 Ų | 155 | 157 Ų | 157 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | 47.6 | 99.1 | 154.2 | -70.6 | -13.6 | 0 | 0 | 0 | 120.6 | ||||
| 278 | N | 45.6 | Very low | 43.7 | Very low | 143 Ų | 143 | 158.3 Ų | 158.3 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | trans | -93.2 | 117 | 153.9 | -135.6 | -21 | 0 | 0 | 0 | 108.8 | ||||
| 279 | N | 44.8 | Very low | 44.3 | Very low | 161 Ų | 161 | 156.8 Ų | 156.8 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -149.8 | 75 | 168 | -116 | -14.3 | 0 | 0 | 0 | 110.2 | ||||
| 280 | N | 48.4 | Very low | 45 | Very low | 126 Ų | 126 | 154.1 Ų | 154.1 | 67% | 0.674 | 82% | 0.815 | S | S | * | * | trans | -98.9 | 98.8 | 174.7 | -83.1 | -54.9 | 0 | 0 | 0 | 109.9 | ||||
| 281 | N | 52.3 | Low | 45.6 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -156.5 | 70.3 | 163.8 | -99.8 | -26.8 | 0 | 0 | 0 | 111.6 | ||||
| 282 | N | 48.5 | Very low | 46.7 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -176.5 | 95.4 | 146.9 | -101.5 | -32 | 0 | 0 | 0 | 111.7 | ||||
| 283 | K | 52.3 | Low | 47.4 | Very low | 194 Ų | 194 | 156.2 Ų | 156.2 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -136.4 | 97.2 | 168.5 | -88.4 | -175.2 | 176.2 | 174.4 | 0 | 109.9 | ||||
| 284 | V | 51.2 | Low | 48 | Very low | 103 Ų | 103 | 159.3 Ų | 159.3 | 62% | 0.624 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -145.4 | -35.4 | 159.5 | -159.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 285 | Y | 53.3 | Low | 48.9 | Very low | 206 Ų | 206 | 158.2 Ų | 158.2 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -123.7 | 56.8 | -162.5 | -40.5 | -69.2 | 0 | 0 | 0 | 117.5 | ||
| 286 | K | 47.8 | Very low | 50.1 | Low | 204 Ų | 204 | 157.5 Ų | 157.5 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -170.4 | 74.5 | 159.6 | -115.2 | 171 | -179.8 | 173.7 | 0 | 109 | ||||
| 287 | R | 48.7 | Very low | 52.1 | Low | 212 Ų | 212 | 160 Ų | 160 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | 44.8 | 89.3 | 76.5 | -66.2 | -158.1 | -173.9 | -165.3 | 4.4 | 113.7 | |||||
| 288 | Y | 51.8 | Low | 54.6 | Low | 223 Ų | 223 | 155.3 Ų | 155.3 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | trans | 48.6 | 72.6 | 144.8 | -44.9 | -78.9 | 0 | 0 | 0 | 118.7 | ||||
| 289 | N | 50.5 | Low | 57 | Low | 141 Ų | 141 | 148.5 Ų | 148.5 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | -147.6 | 55 | 147.3 | -164.4 | 2.2 | 0 | 0 | 0 | 111.6 | K291 | N289-K291 PolarHBondContact O-N 2.9Š| ||
| 290 | S | 50.2 | Low | 59.3 | Low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | trans | -85.3 | 92.7 | 159.4 | -62.1 | 0 | 0 | 0 | 0 | 107 | A292 | S290-A292 PolarHBondContact O-N 3.14Š| ||
| 291 | K | 51 | Low | 61.5 | Low | 181 Ų | 181 | 141.1 Ų | 141.1 | 79% | 0.787 | 69% | 0.686 | S | S | * | * | trans | -46.7 | 131.7 | 153.9 | -71.6 | -165.3 | 175.9 | -172.8 | 0 | 106.4 | N289 K293 | N289-K291 PolarHBondContact O-N 2.9Å; K291-K293 PolarHBondContact O-N 2.92Å | ||
| 292 | A | 53.6 | Low | 63.5 | Low | 95 Ų | 95 | 133.7 Ų | 133.7 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | trans | -47 | 119.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | S290 E294 | S290-A292 PolarHBondContact O-N 3.14Å; A292-E294 VanDerWaalsContact C-N 3.29Å; A292-E294 PolarHBondContact O-N 3.09Å | ||
| 293 | K | 48.1 | Very low | 65.7 | Low | 191 Ų | 191 | 130.2 Ų | 130.2 | 83% | 0.83 | 63% | 0.625 | S | S | * | * | trans | -60.4 | 103.4 | -178.5 | -175.8 | -168.3 | -178 | -165.9 | 0 | 104.9 | K291 I295 | K291-K293 PolarHBondContact O-N 2.92Å; K293-I295 VanDerWaalsContact C-N 3.34Å; K293-I295 PolarHBondContact O-N 3.19Å | ||
| 294 | E | 54 | Low | 67.7 | Low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | trans | -59.2 | 104.9 | -178.3 | -173.9 | 166.5 | -156.1 | 0 | 0 | 105.7 | A292 S296 | A292-E294 VanDerWaalsContact C-N 3.29Å; A292-E294 PolarHBondContact O-N 3.09Å; E294-S296 PolarHBondContact O-N 3.01Å | ||
| 295 | I | 58.5 | Low | 69.7 | Low | 143 Ų | 143 | 125.6 Ų | 125.6 | 73% | 0.733 | 61% | 0.606 | S | S | * | * | trans | -68.3 | 95.7 | 175.9 | -66.8 | 155.4 | 0 | 0 | 0 | 102.7 | K293 R297 | K293-I295 VanDerWaalsContact C-N 3.34Å; K293-I295 PolarHBondContact O-N 3.19Å; I295-R297 WeakPolarHBondContact O-CG 3.34Å; I295-R297 PolarHBondContact O-N 3.35Å | ||
| 296 | S | 64.6 | Low | 71.6 | Confident | 96 Ų | 96 | 122.9 Ų | 122.9 | 67% | 0.671 | 61% | 0.605 | S | S | * | * | trans | -52.9 | 97.5 | -170.4 | 50.6 | 0 | 0 | 0 | 0 | 109.3 | E294 H298 | E294-S296 PolarHBondContact O-N 3.01Å; S296-H298 PolarHBondContact O-N 3.1Å | ||
| 297 | R | 79.7 | Confident | 73.8 | Confident | 166 Ų | 166 | 115.2 Ų | 115.2 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | trans | -80.2 | 60.8 | -177.9 | -63.6 | -164.6 | -179.9 | -172.2 | 0.3 | 108.7 | I295 I312 N313 S314 H315 | I295-R297 WeakPolarHBondContact O-CG 3.34Å; I295-R297 PolarHBondContact O-N 3.35Å; R297-I312 VanDerWaalsContact O-O 3.08Å; R297-N313 CarbonylContact O-C 3.54Å; R297-N313 WeakPolarHBondContact O-CA 3.31Å; R297-S314 PolarHBondContact O-N 3.1Å; R297-H315 CarbonylContact C-O 3.19Å; R297-H315 CarbonylContact O-C 3.21Å; R297-H315 PolarHBondContact O-N 3.19Å | ||
| 298 | H | 91.9 | Very high | 75.9 | Confident | 56 Ų | 56 | 109 Ų | 109 | 26% | 0.259 | 56% | 0.559 | S | S | . | * | trans | -96.9 | 128.3 | -172.1 | 165.6 | 83 | 0 | 0 | 0 | 110.4 | S296 V300 E303 I312 H315 | S296-H298 PolarHBondContact O-N 3.1Å; H298-V300 WeakPolarHBondContact NE2-CG2 3.49Å; H298-V300 PolarHBondContact NE2-N 2.84Å; H298-E303 VanDerWaalsContact CE1-CD 3.48Å; H298-E303 IonicContact CE1-OE1 3.44Å; H298-E303 IonicContact CE1-OE2 3.25Å; H298-E303 PolarHBondContact CE1-OE2 3.15Å; H298-E303 VanDerWaalsContact CE1-OE2 3.27Å; H298-E303 IonicContact NE2-OE2 2.62Å; H298-E303 PolarHBondContact NE2-OE2 2.96Å; H298-I312 CarbonylContact C-O 3.52Å; H298-I312 WeakPolarHBondContact CA-O 3.37Å; H298-I312 WeakPolarHBondContact ND1-CG2 3.37Å; H298-H315 CarbonylContact C-O 3.33Å | ||
| 299 | C | 94.8 | Very high | 77.8 | Confident | 0 Ų | 0 | 105.2 Ų | 105.2 | 0% | 0 | 55% | 0.55 | C | S | . | . | trans | -108.5 | 97.8 | 179.5 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | F301 C302 E303 I312 H315 C326 | C299-F301 PolarHBondContact O-N 3.5Å; C299-F301 VanDerWaalsContact O-N 3.13Å; C299-C302 HydrophobicContact CB-CB 3.99Å; C299-C302 PolarHBondContact O-N 3.15Å; C299-C302 PolarHBondContact SG-N 3Å; C299-E303 PolarHBondContact O-N 2.96Å; C299-I312 PolarHBondContact N-O 3.03Å; C299-H315 WeakPolarHBondContact CB-NE2 3.37Å; C299-H315 VanDerWaalsContact CB-O 3.26Å; C299-H315 WeakPolarHBondContact CB-O 3.39Å; C299-H315 PolarHBondContact N-O 2.97Å; C299-H315 VanDerWaalsContact N-O 3.17Å; C299-H315 PolarHBondContact SG-NE2 2.89Å; C299-C326 VanDerWaalsContact SG-SG 3.69Å | ||
| 300 | V | 94.2 | Very high | 79.7 | Confident | 85 Ų | 85 | 102.5 Ų | 102.5 | 52% | 0.515 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -52.5 | -34 | 174.2 | -173 | 0 | 0 | 0 | 0 | 112.3 | H298 E303 N304 V317 | H298-V300 WeakPolarHBondContact NE2-CG2 3.49Å; H298-V300 PolarHBondContact NE2-N 2.84Å; V300-E303 PolarHBondContact O-N 2.78Å; V300-N304 WeakPolarHBondContact O-CB 3.49Å; V300-N304 PolarHBondContact O-N 2.91Å; V300-V317 HydrophobicContact CB-CG2 4.19Å |
| 301 | F | 94.7 | Very high | 81.6 | Confident | 46 Ų | 46 | 98.8 Ų | 98.8 | 20% | 0.202 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 177.7 | -176 | -98.1 | 0 | 0 | 0 | 112.4 | C299 N305 V317 K328 L329 T346 | C299-F301 PolarHBondContact O-N 3.5Å; C299-F301 VanDerWaalsContact O-N 3.13Å; F301-N305 WeakPolarHBondContact CE1-ND2 3.36Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.47Å; F301-N305 PolarHBondContact O-N 3.27Å; F301-N305 PolarHBondContact O-ND2 2.82Å; F301-V317 HydrophobicContact CB-CG1 4.47Å; F301-V317 HydrophobicContact CB-CG2 4.33Å; F301-K328 HydrophobicContact CD1-CB 4.42Å; F301-K328 HydrophobicContact CE1-CB 3.99Å; F301-L329 HydrophobicContact CD1-CB 3.98Å; F301-L329 HydrophobicContact CD2-CD1 4.47Å; F301-L329 HydrophobicContact CE1-CB 3.89Å; F301-L329 HydrophobicContact CE1-CD1 4.44Å; F301-L329 HydrophobicContact CE2-CD1 3.98Å; F301-L329 HydrophobicContact CG-CB 4.42Å; F301-L329 HydrophobicContact CZ-CB 4.27Å; F301-L329 HydrophobicContact CZ-CD1 3.95Å; F301-T346 HydrophobicContact CE2-CG2 3.84Å; F301-T346 HydrophobicContact CZ-CG2 4.35Å |
| 302 | C | 94.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 91.2 Ų | 91.2 | 0% | 0 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -72.9 | -33.9 | 175 | -75.7 | 0 | 0 | 0 | 0 | 112 | C299 N305 N306 E307 V311 I312 C326 | C299-C302 HydrophobicContact CB-CB 3.99Å; C299-C302 PolarHBondContact O-N 3.15Å; C299-C302 PolarHBondContact SG-N 3Å; C302-N305 CarbonylContact O-C 3.58Å; C302-N305 PolarHBondContact O-N 3.01Å; C302-N306 PolarHBondContact O-N 2.94Å; C302-E307 HydrophobicContact CB-CB 3.98Å; C302-E307 HydrophobicContact CB-CG 3.96Å; C302-E307 WeakPolarHBondContact O-CB 3.45Å; C302-E307 PolarHBondContact O-N 3.43Å; C302-V311 HydrophobicContact CB-CG1 4.44Å; C302-I312 HydrophobicContact CB-CG1 4.2Å; C302-C326 VanDerWaalsContact SG-SG 3.63Å |
| 303 | E | 93.8 | Very high | 85.5 | Confident | 96 Ų | 96 | 90.5 Ų | 90.5 | 45% | 0.449 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 173.8 | -179 | 179.7 | -127.2 | 0 | 0 | 111.7 | H298 C299 V300 N305 N306 I312 | H298-E303 VanDerWaalsContact CE1-CD 3.48Å; H298-E303 IonicContact CE1-OE1 3.44Å; H298-E303 IonicContact CE1-OE2 3.25Å; H298-E303 PolarHBondContact CE1-OE2 3.15Å; H298-E303 VanDerWaalsContact CE1-OE2 3.27Å; H298-E303 IonicContact NE2-OE2 2.62Å; H298-E303 PolarHBondContact NE2-OE2 2.96Å; C299-E303 PolarHBondContact O-N 2.96Å; V300-E303 PolarHBondContact O-N 2.78Å; E303-N305 PolarHBondContact O-N 3.21Å; E303-N306 PolarHBondContact O-N 3.48Å; E303-I312 HydrophobicContact CB-CD1 4.05Å; E303-I312 HydrophobicContact CB-CG1 4.36Å; E303-I312 HydrophobicContact CB-CG2 4.06Å; E303-I312 HydrophobicContact CG-CD1 4.38Å |
| 304 | N | 94.9 | Very high | 87.6 | Confident | 125 Ų | 125 | 84.2 Ų | 84.2 | 67% | 0.668 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.2 | -25.8 | 177.3 | -173.9 | 87.2 | 0 | 0 | 0 | 113.1 | V300 N306 | V300-N304 WeakPolarHBondContact O-CB 3.49Å; V300-N304 PolarHBondContact O-N 2.91Å; N304-N306 VanDerWaalsContact C-N 3.32Å |
| 305 | N | 92.9 | Very high | 89.4 | Confident | 75 Ų | 75 | 77 Ų | 77 | 40% | 0.401 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 7.2 | 175.6 | -66.1 | -26.1 | 0 | 0 | 0 | 113.4 | F301 C302 E303 E307 | F301-N305 WeakPolarHBondContact CE1-ND2 3.36Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.47Å; F301-N305 PolarHBondContact O-N 3.27Å; F301-N305 PolarHBondContact O-ND2 2.82Å; C302-N305 CarbonylContact O-C 3.58Å; C302-N305 PolarHBondContact O-N 3.01Å; E303-N305 PolarHBondContact O-N 3.21Å; N305-E307 HydrophobicContact CB-CG 4.36Å; N305-E307 PolarHBondContact O-N 3.47Å |
| 306 | N | 94.3 | Very high | 91.1 | Very high | 149 Ų | 149 | 72.2 Ų | 72.2 | 80% | 0.797 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 34.9 | -177.9 | -56.9 | 118.2 | 0 | 0 | 0 | 114.4 | C302 E303 N304 | C302-N306 PolarHBondContact O-N 2.94Å; E303-N306 PolarHBondContact O-N 3.48Å; N304-N306 VanDerWaalsContact C-N 3.32Å |
| 307 | E | 93.9 | Very high | 92.4 | Very high | 43 Ų | 43 | 69.4 Ų | 69.4 | 20% | 0.201 | 37% | 0.374 | C | S | . | . | trans | -64.1 | 156.3 | 169.4 | -64.9 | -80 | 174.1 | 0 | 0 | 110.3 | C302 N305 V311 I312 K328 | C302-E307 HydrophobicContact CB-CB 3.98Å; C302-E307 HydrophobicContact CB-CG 3.96Å; C302-E307 WeakPolarHBondContact O-CB 3.45Å; C302-E307 PolarHBondContact O-N 3.43Å; N305-E307 HydrophobicContact CB-CG 4.36Å; N305-E307 PolarHBondContact O-N 3.47Å; E307-V311 HydrophobicContact CB-CB 4.34Å; E307-V311 HydrophobicContact CB-CG1 4.17Å; E307-I312 HydrophobicContact CB-CG1 4.48Å; E307-I312 WeakPolarHBondContact O-CD1 3.49Å; E307-K328 VanDerWaalsContact CD-NZ 3.32Å; E307-K328 WeakPolarHBondContact OE1-CE 3.43Å; E307-K328 IonicContact OE1-NZ 2.71Å; E307-K328 PolarHBondContact OE1-NZ 3.23Å; E307-K328 IonicContact OE2-NZ 3.27Å; E307-K328 PolarHBondContact OE2-NZ 3.04Å | ||
| 308 | P | 92.6 | Very high | 93.1 | Very high | 80 Ų | 80 | 67.8 Ų | 67.8 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | trans | -62 | 148.4 | 179.9 | 25 | -34.5 | 0 | 0 | 0 | 112 | A310 V311 I312 | P308-A310 PolarHBondContact O-N 2.91Å; P308-A310 VanDerWaalsContact O-N 3.09Å; P308-V311 HydrophobicContact CG-CB 4.21Å; P308-V311 HydrophobicContact CG-CG2 3.84Å; P308-V311 WeakPolarHBondContact O-CA 3.39Å; P308-V311 WeakPolarHBondContact O-CB 3.4Å; P308-V311 PolarHBondContact O-N 3.18Å; P308-I312 PolarHBondContact O-N 3.12Å | ||
| 309 | E | 92.1 | Very high | 93 | Very high | 144 Ų | 144 | 66.8 Ų | 66.8 | 67% | 0.673 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -53.5 | -36.3 | -175.8 | -174.3 | 178.3 | -179.4 | 0 | 0 | 113.4 | V311 I312 N313 | E309-V311 PolarHBondContact O-N 2.78Å; E309-I312 PolarHBondContact O-N 3.4Å; E309-N313 VanDerWaalsContact CG-ND2 3.33Å; E309-N313 WeakPolarHBondContact CG-ND2 3.37Å; E309-N313 WeakPolarHBondContact O-CB 3.44Å; E309-N313 PolarHBondContact O-N 2.92Å; E309-N313 PolarHBondContact OE1-ND2 3.43Å |
| 310 | A | 89.6 | Confident | 92.8 | Very high | 84 Ų | 84 | 74.2 Ų | 74.2 | 69% | 0.694 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.7 | -31.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P308 S314 | P308-A310 PolarHBondContact O-N 2.91Å; P308-A310 VanDerWaalsContact O-N 3.09Å; A310-S314 WeakPolarHBondContact O-CB 3.29Å |
| 311 | V | 91.1 | Very high | 92.5 | Very high | 45 Ų | 45 | 77.8 Ų | 77.8 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -81.6 | -43.1 | 174 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | C302 E307 P308 E309 N313 S314 H315 | C302-V311 HydrophobicContact CB-CG1 4.44Å; E307-V311 HydrophobicContact CB-CB 4.34Å; E307-V311 HydrophobicContact CB-CG1 4.17Å; P308-V311 HydrophobicContact CG-CB 4.21Å; P308-V311 HydrophobicContact CG-CG2 3.84Å; P308-V311 WeakPolarHBondContact O-CA 3.39Å; P308-V311 WeakPolarHBondContact O-CB 3.4Å; P308-V311 PolarHBondContact O-N 3.18Å; E309-V311 PolarHBondContact O-N 2.78Å; V311-N313 VanDerWaalsContact C-N 3.28Å; V311-N313 PolarHBondContact O-N 3.2Å; V311-S314 PolarHBondContact O-N 2.9Å; V311-S314 PolarHBondContact O-OG 2.83Å; V311-H315 PolarHBondContact O-CE1 3.44Å; V311-H315 PolarHBondContact O-ND1 3.44Å |
| 312 | I | 93.6 | Very high | 92.3 | Very high | 22 Ų | 22 | 81.2 Ų | 81.2 | 11% | 0.113 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55.1 | -45.2 | 176.5 | -62.3 | 172.3 | 0 | 0 | 0 | 110.9 | R297 H298 C299 C302 E303 E307 P308 E309 | R297-I312 VanDerWaalsContact O-O 3.08Å; H298-I312 CarbonylContact C-O 3.52Å; H298-I312 WeakPolarHBondContact CA-O 3.37Å; H298-I312 WeakPolarHBondContact ND1-CG2 3.37Å; C299-I312 PolarHBondContact N-O 3.03Å; C302-I312 HydrophobicContact CB-CG1 4.2Å; E303-I312 HydrophobicContact CB-CD1 4.05Å; E303-I312 HydrophobicContact CB-CG1 4.36Å; E303-I312 HydrophobicContact CB-CG2 4.06Å; E303-I312 HydrophobicContact CG-CD1 4.38Å; E307-I312 HydrophobicContact CB-CG1 4.48Å; E307-I312 WeakPolarHBondContact O-CD1 3.49Å; P308-I312 PolarHBondContact O-N 3.12Å; E309-I312 PolarHBondContact O-N 3.4Å |
| 313 | N | 92.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 86.4 Ų | 86.4 | 42% | 0.422 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10 | -175.6 | -66.6 | -24.4 | 0 | 0 | 0 | 114.2 | R297 E309 V311 | R297-N313 CarbonylContact O-C 3.54Å; R297-N313 WeakPolarHBondContact O-CA 3.31Å; E309-N313 VanDerWaalsContact CG-ND2 3.33Å; E309-N313 WeakPolarHBondContact CG-ND2 3.37Å; E309-N313 WeakPolarHBondContact O-CB 3.44Å; E309-N313 PolarHBondContact O-N 2.92Å; E309-N313 PolarHBondContact OE1-ND2 3.43Å; V311-N313 VanDerWaalsContact C-N 3.28Å; V311-N313 PolarHBondContact O-N 3.2Å |
| 314 | S | 90.9 | Very high | 92.3 | Very high | 59 Ų | 59 | 82 Ų | 82 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -26.9 | 179.5 | 64.1 | 0 | 0 | 0 | 0 | 114.6 | R297 A310 V311 | R297-S314 PolarHBondContact O-N 3.1Å; A310-S314 WeakPolarHBondContact O-CB 3.29Å; V311-S314 PolarHBondContact O-N 2.9Å; V311-S314 PolarHBondContact O-OG 2.83Å |
| 315 | H | 92.2 | Very high | 92.3 | Very high | 24 Ų | 24 | 79.3 Ų | 79.3 | 11% | 0.111 | 42% | 0.418 | C | S | . | . | trans | -152.7 | 156.8 | -171 | 61.8 | -83.6 | 0 | 0 | 0 | 112.1 | R297 H298 C299 V311 C326 | R297-H315 CarbonylContact C-O 3.19Å; R297-H315 CarbonylContact O-C 3.21Å; R297-H315 PolarHBondContact O-N 3.19Å; H298-H315 CarbonylContact C-O 3.33Å; C299-H315 WeakPolarHBondContact CB-NE2 3.37Å; C299-H315 VanDerWaalsContact CB-O 3.26Å; C299-H315 WeakPolarHBondContact CB-O 3.39Å; C299-H315 PolarHBondContact N-O 2.97Å; C299-H315 VanDerWaalsContact N-O 3.17Å; C299-H315 PolarHBondContact SG-NE2 2.89Å; V311-H315 PolarHBondContact O-CE1 3.44Å; V311-H315 PolarHBondContact O-ND1 3.44Å; H315-C326 VanDerWaalsContact CD2-CA 3.42Å; H315-C326 WeakPolarHBondContact CD2-CA 3.33Å; H315-C326 PolarHBondContact NE2-SG 3.35Å | ||
| 316 | S | 93.8 | Very high | 92.4 | Very high | 42 Ų | 42 | 75.8 Ų | 75.8 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | trans | -87.1 | 162.1 | 167.1 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | R318 L325 | S316-R318 PolarHBondContact O-N 3.46Å; S316-R318 PolarHBondContact OG-O 3.3Å; S316-L325 WeakPolarHBondContact O-CB 3.34Å | ||
| 317 | V | 93.5 | Very high | 92.4 | Very high | 37 Ų | 37 | 72.1 Ų | 72.1 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -62.1 | -43.7 | 175.8 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | V300 F301 L325 C326 L329 | V300-V317 HydrophobicContact CB-CG2 4.19Å; F301-V317 HydrophobicContact CB-CG1 4.47Å; F301-V317 HydrophobicContact CB-CG2 4.33Å; V317-L325 PolarHBondContact O-N 3.2Å; V317-C326 PolarHBondContact O-N 2.96Å; V317-L329 HydrophobicContact CG1-CD2 4.26Å |
| 318 | R | 92.8 | Very high | 92.4 | Very high | 133 Ų | 133 | 74.6 Ų | 74.6 | 50% | 0.502 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -131.1 | 158.2 | 179.7 | -65.7 | -175.6 | -178.4 | 178.3 | 0.4 | 112.4 | S316 R323 | S316-R318 PolarHBondContact O-N 3.46Å; S316-R318 PolarHBondContact OG-O 3.3Å; R318-R323 CarbonylContact C-O 2.91Å; R318-R323 WeakPolarHBondContact CA-O 3.16Å |
| 319 | D | 91.2 | Very high | 92.5 | Very high | 35 Ų | 35 | 71.4 Ų | 71.4 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | trans | -84.1 | 167.2 | 174.3 | -166 | 7.8 | 0 | 0 | 0 | 112.1 | F321 N322 R323 L325 | D319-F321 PolarHBondContact O-N 3.42Å; D319-F321 VanDerWaalsContact O-N 3.16Å; D319-F321 WeakPolarHBondContact OD2-CD2 3.31Å; D319-N322 PolarHBondContact O-N 2.95Å; D319-R323 HydrophobicContact CB-CB 4.36Å; D319-R323 PolarHBondContact N-O 2.92Å; D319-R323 IonicContact OD2-CZ 3.46Å; D319-R323 IonicContact OD2-NE 3.37Å; D319-R323 PolarHBondContact OD2-NE 2.96Å; D319-R323 IonicContact OD2-NH2 3.59Å; D319-R323 PolarHBondContact OD2-NH2 3.43Å; D319-L325 HydrophobicContact CB-CD1 3.75Å; D319-L325 HydrophobicContact CB-CD2 4.14Å; D319-L325 HydrophobicContact CB-CG 3.79Å | ||
| 320 | N | 90.5 | Very high | 92.7 | Very high | 156 Ų | 156 | 68.6 Ų | 68.6 | 83% | 0.834 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.2 | 169.7 | -67.9 | 104.8 | 0 | 0 | 0 | 112.8 | N322 | N320-N322 VanDerWaalsContact C-N 3.28Å; N320-N322 PolarHBondContact O-N 3.1Å |
| 321 | F | 87.9 | Confident | 92.9 | Very high | 159 Ų | 159 | 69.8 Ų | 69.8 | 70% | 0.697 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 17.1 | 174.6 | -61.2 | -80.3 | 0 | 0 | 0 | 113.8 | D319 R323 | D319-F321 PolarHBondContact O-N 3.42Å; D319-F321 VanDerWaalsContact O-N 3.16Å; D319-F321 WeakPolarHBondContact OD2-CD2 3.31Å; F321-R323 HydrophobicContact CB-CG 4.41Å; F321-R323 PolarHBondContact O-N 2.84Å |
| 322 | N | 89.6 | Confident | 93.1 | Very high | 118 Ų | 118 | 71.8 Ų | 71.8 | 63% | 0.631 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 60.3 | 3 | -177.1 | -80.5 | -65.5 | 0 | 0 | 0 | 117 | D319 N320 | D319-N322 PolarHBondContact O-N 2.95Å; N320-N322 VanDerWaalsContact C-N 3.28Å; N320-N322 PolarHBondContact O-N 3.1Å |
| 323 | R | 92.7 | Very high | 93.2 | Very high | 110 Ų | 110 | 74.9 Ų | 74.9 | 42% | 0.415 | 38% | 0.377 | S | S | . | . | trans | -68.5 | 145.5 | 172.8 | -58.2 | 178.3 | -64 | -175 | -0 | 111 | R318 D319 F321 L325 D342 | R318-R323 CarbonylContact C-O 2.91Å; R318-R323 WeakPolarHBondContact CA-O 3.16Å; D319-R323 HydrophobicContact CB-CB 4.36Å; D319-R323 PolarHBondContact N-O 2.92Å; D319-R323 IonicContact OD2-CZ 3.46Å; D319-R323 IonicContact OD2-NE 3.37Å; D319-R323 PolarHBondContact OD2-NE 2.96Å; D319-R323 IonicContact OD2-NH2 3.59Å; D319-R323 PolarHBondContact OD2-NH2 3.43Å; F321-R323 HydrophobicContact CB-CG 4.41Å; F321-R323 PolarHBondContact O-N 2.84Å; R323-L325 PolarHBondContact O-N 2.84Å; R323-D342 HydrophobicContact CB-CB 4.46Å | ||
| 324 | V | 95.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 124.8 | 174 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | C326 L329 R330 D342 A344 | V324-C326 HydrophobicContact CG1-CB 4.4Å; V324-L329 HydrophobicContact CG1-CB 3.9Å; V324-L329 HydrophobicContact CG1-CD2 3.81Å; V324-L329 HydrophobicContact CG1-CG 3.87Å; V324-L329 HydrophobicContact CG2-CD2 4.41Å; V324-R330 HydrophobicContact CB-CG 4.23Å; V324-R330 HydrophobicContact CG1-CG 3.87Å; V324-R330 WeakPolarHBondContact O-CD 3.35Å; V324-R330 PolarHBondContact O-NH1 3.3Å; V324-D342 PolarHBondContact N-O 3.11Å; V324-A344 HydrophobicContact CG2-CB 4.5Å; V324-A344 VanDerWaalsContact CG2-O 3.27Å; V324-A344 WeakPolarHBondContact CG2-O 3.41Å |
| 325 | L | 94.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 73.4 Ų | 73.4 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | trans | -98.1 | -26.6 | 174.5 | -71.1 | 177 | 0 | 0 | 0 | 113 | S316 V317 D319 R323 P327 | S316-L325 WeakPolarHBondContact O-CB 3.34Å; V317-L325 PolarHBondContact O-N 3.2Å; D319-L325 HydrophobicContact CB-CD1 3.75Å; D319-L325 HydrophobicContact CB-CD2 4.14Å; D319-L325 HydrophobicContact CB-CG 3.79Å; R323-L325 PolarHBondContact O-N 2.84Å; L325-P327 WeakPolarHBondContact O-CD 3.46Å | ||
| 326 | C | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | trans | -61.1 | 117.3 | -177.8 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | C299 C302 H315 V317 V324 K328 L329 R330 | C299-C326 VanDerWaalsContact SG-SG 3.69Å; C302-C326 VanDerWaalsContact SG-SG 3.63Å; H315-C326 VanDerWaalsContact CD2-CA 3.42Å; H315-C326 WeakPolarHBondContact CD2-CA 3.33Å; H315-C326 PolarHBondContact NE2-SG 3.35Å; V317-C326 PolarHBondContact O-N 2.96Å; V324-C326 HydrophobicContact CG1-CB 4.4Å; C326-K328 VanDerWaalsContact C-N 3.29Å; C326-K328 PolarHBondContact O-N 2.99Å; C326-L329 HydrophobicContact CB-CB 4.01Å; C326-L329 PolarHBondContact O-N 3.19Å; C326-R330 WeakPolarHBondContact O-CB 3.45Å; C326-R330 VanDerWaalsContact O-CG 3.23Å; C326-R330 WeakPolarHBondContact O-CG 3.34Å; C326-R330 PolarHBondContact O-N 3.18Å | ||
| 327 | P | 94.3 | Very high | 94.1 | Very high | 72 Ų | 72 | 81.4 Ų | 81.4 | 47% | 0.468 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63 | -35.3 | -175.6 | 24.6 | -33.3 | 0 | 0 | 0 | 112.5 | L325 R330 T331 | L325-P327 WeakPolarHBondContact O-CD 3.46Å; P327-R330 PolarHBondContact O-N 3.39Å; P327-T331 PolarHBondContact O-N 3.06Å; P327-T331 VanDerWaalsContact O-N 3.09Å; P327-T331 PolarHBondContact O-OG1 3.06Å |
| 328 | K | 93.9 | Very high | 94.1 | Very high | 96 Ų | 96 | 82 Ų | 82 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 176.9 | -62.5 | -77.5 | 178.3 | 133.8 | 0 | 111.6 | F301 E307 C326 T331 Y332 | F301-K328 HydrophobicContact CD1-CB 4.42Å; F301-K328 HydrophobicContact CE1-CB 3.99Å; E307-K328 VanDerWaalsContact CD-NZ 3.32Å; E307-K328 WeakPolarHBondContact OE1-CE 3.43Å; E307-K328 IonicContact OE1-NZ 2.71Å; E307-K328 PolarHBondContact OE1-NZ 3.23Å; E307-K328 IonicContact OE2-NZ 3.27Å; E307-K328 PolarHBondContact OE2-NZ 3.04Å; C326-K328 VanDerWaalsContact C-N 3.29Å; C326-K328 PolarHBondContact O-N 2.99Å; K328-T331 PolarHBondContact O-N 3.45Å; K328-T331 PolarHBondContact O-OG1 2.87Å; K328-Y332 PolarHBondContact O-N 3.07Å |
| 329 | L | 95.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 76.6 Ų | 76.6 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.2 | -38.3 | 176.4 | -173.5 | 56.4 | 0 | 0 | 0 | 111.2 | F301 V317 V324 C326 T331 Y332 A344 T346 | F301-L329 HydrophobicContact CD1-CB 3.98Å; F301-L329 HydrophobicContact CD2-CD1 4.47Å; F301-L329 HydrophobicContact CE1-CB 3.89Å; F301-L329 HydrophobicContact CE1-CD1 4.44Å; F301-L329 HydrophobicContact CE2-CD1 3.98Å; F301-L329 HydrophobicContact CG-CB 4.42Å; F301-L329 HydrophobicContact CZ-CB 4.27Å; F301-L329 HydrophobicContact CZ-CD1 3.95Å; V317-L329 HydrophobicContact CG1-CD2 4.26Å; V324-L329 HydrophobicContact CG1-CB 3.9Å; V324-L329 HydrophobicContact CG1-CD2 3.81Å; V324-L329 HydrophobicContact CG1-CG 3.87Å; V324-L329 HydrophobicContact CG2-CD2 4.41Å; C326-L329 HydrophobicContact CB-CB 4.01Å; C326-L329 PolarHBondContact O-N 3.19Å; L329-T331 VanDerWaalsContact C-N 3.26Å; L329-T331 PolarHBondContact O-N 3.37Å; L329-Y332 VanDerWaalsContact O-CB 3.28Å; L329-Y332 WeakPolarHBondContact O-CB 3.36Å; L329-Y332 PolarHBondContact O-N 3.33Å; L329-A344 HydrophobicContact CG-CB 4.32Å; L329-A344 WeakPolarHBondContact O-CB 3.24Å; L329-T346 HydrophobicContact CD1-CG2 4.09Å |
| 330 | R | 96 | Very high | 94.5 | Very high | 85 Ų | 85 | 77.1 Ų | 77.1 | 32% | 0.321 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.4 | -33.3 | 175.1 | -71.1 | 174.3 | 72.9 | 78.9 | 8.6 | 113.3 | V324 C326 P327 Y332 S340 G341 D342 | V324-R330 HydrophobicContact CB-CG 4.23Å; V324-R330 HydrophobicContact CG1-CG 3.87Å; V324-R330 WeakPolarHBondContact O-CD 3.35Å; V324-R330 PolarHBondContact O-NH1 3.3Å; C326-R330 WeakPolarHBondContact O-CB 3.45Å; C326-R330 VanDerWaalsContact O-CG 3.23Å; C326-R330 WeakPolarHBondContact O-CG 3.34Å; C326-R330 PolarHBondContact O-N 3.18Å; P327-R330 PolarHBondContact O-N 3.39Å; R330-Y332 VanDerWaalsContact C-N 3.31Å; R330-S340 PolarHBondContact O-OG 3.23Å; R330-S340 VanDerWaalsContact O-OG 3.11Å; R330-G341 WeakPolarHBondContact O-CA 3.47Å; R330-G341 PolarHBondContact O-N 3.26Å; R330-D342 IonicContact CZ-OD1 3.17Å; R330-D342 IonicContact NH1-OD1 2.67Å; R330-D342 PolarHBondContact NH1-OD1 3.02Å; R330-D342 IonicContact NH2-OD1 2.75Å; R330-D342 PolarHBondContact NH2-OD1 2.91Å |
| 331 | T | 94.4 | Very high | 94.6 | Very high | 110 Ų | 110 | 70.5 Ų | 70.5 | 68% | 0.675 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -12 | 175.4 | 47.5 | 0 | 0 | 0 | 0 | 114.2 | P327 K328 L329 | P327-T331 PolarHBondContact O-N 3.06Å; P327-T331 VanDerWaalsContact O-N 3.09Å; P327-T331 PolarHBondContact O-OG1 3.06Å; K328-T331 PolarHBondContact O-N 3.45Å; K328-T331 PolarHBondContact O-OG1 2.87Å; L329-T331 VanDerWaalsContact C-N 3.26Å; L329-T331 PolarHBondContact O-N 3.37Å |
| 332 | Y | 95.6 | Very high | 95 | Very high | 86 Ų | 86 | 66.7 Ų | 66.7 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | trans | -72.9 | 142.1 | 174.4 | -172.8 | -104.5 | 0 | 0 | 0 | 110.3 | K328 L329 R330 C334 P335 S340 H345 T346 | K328-Y332 PolarHBondContact O-N 3.07Å; L329-Y332 VanDerWaalsContact O-CB 3.28Å; L329-Y332 WeakPolarHBondContact O-CB 3.36Å; L329-Y332 PolarHBondContact O-N 3.33Å; R330-Y332 VanDerWaalsContact C-N 3.31Å; Y332-C334 HydrophobicContact CE1-CB 4.45Å; Y332-P335 VanDerWaalsContact OH-CD 3.23Å; Y332-P335 WeakPolarHBondContact OH-CD 3.44Å; Y332-S340 WeakPolarHBondContact O-CA 3.44Å; Y332-S340 VanDerWaalsContact O-CB 3.31Å; Y332-S340 WeakPolarHBondContact O-CB 3.15Å; Y332-S340 PolarHBondContact O-OG 3.49Å; Y332-H345 WeakPolarHBondContact CD1-O 3.37Å; Y332-H345 WeakPolarHBondContact CE1-O 3.47Å; Y332-T346 HydrophobicContact CE1-CG2 4.42Å | ||
| 333 | V | 95.9 | Very high | 95.1 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 53% | 0.527 | 37% | 0.369 | S | S | . | . | trans | -117.3 | 116.4 | 173.5 | -178.4 | 0 | 0 | 0 | 0 | 106.5 | P335 | V333-P335 WeakPolarHBondContact O-CD 3.42Š| ||
| 334 | C | 97.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.014 | 35% | 0.35 | C | S | . | . | trans | -61.9 | 123.5 | -179.2 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | Y332 I336 G338 A339 H345 | Y332-C334 HydrophobicContact CE1-CB 4.45Å; C334-I336 PolarHBondContact O-N 2.99Å; C334-G338 VanDerWaalsContact O-CA 3.27Å; C334-G338 WeakPolarHBondContact O-CA 3.38Å; C334-G338 PolarHBondContact O-N 3.42Å; C334-A339 PolarHBondContact N-O 2.84Å; C334-H345 PolarHBondContact SG-NE2 3.1Å; C334-H345 VanDerWaalsContact SG-NE2 3.44Å | ||
| 335 | P | 96.1 | Very high | 95.1 | Very high | 106 Ų | 106 | 62.8 Ų | 62.8 | 69% | 0.688 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -13.8 | -177.4 | 28.4 | -35.5 | 0 | 0 | 0 | 113.6 | Y332 V333 | Y332-P335 VanDerWaalsContact OH-CD 3.23Å; Y332-P335 WeakPolarHBondContact OH-CD 3.44Å; V333-P335 WeakPolarHBondContact O-CD 3.42Å |
| 336 | I | 97.1 | Very high | 95 | Very high | 155 Ų | 155 | 65.2 Ų | 65.2 | 80% | 0.795 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -40.3 | -178.5 | -59.3 | 167.6 | 0 | 0 | 0 | 111.4 | C334 | C334-I336 PolarHBondContact O-N 2.99Š|
| 337 | C | 96.9 | Very high | 95 | Very high | 78 Ų | 78 | 68.5 Ų | 68.5 | 53% | 0.527 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -4.5 | -172.7 | 71.7 | 0 | 0 | 0 | 0 | 115.5 | A339 H345 | C337-A339 PolarHBondContact O-N 3Å; C337-A339 VanDerWaalsContact SG-CB 3.52Å; C337-H345 PolarHBondContact SG-CE1 2.84Å; C337-H345 PolarHBondContact SG-NE2 2.89Å |
| 338 | G | 94 | Very high | 95.1 | Very high | 49 Ų | 49 | 68.3 Ų | 68.3 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | trans | 73.3 | 2.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | C334 | C334-G338 VanDerWaalsContact O-CA 3.27Å; C334-G338 WeakPolarHBondContact O-CA 3.38Å; C334-G338 PolarHBondContact O-N 3.42Å | ||
| 339 | A | 95.8 | Very high | 95.1 | Very high | 21 Ų | 21 | 66.8 Ų | 66.8 | 17% | 0.174 | 40% | 0.398 | C | S | . | . | trans | -64.1 | 139.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C334 C337 | C334-A339 PolarHBondContact N-O 2.84Å; C337-A339 PolarHBondContact O-N 3Å; C337-A339 VanDerWaalsContact SG-CB 3.52Å | ||
| 340 | S | 95.2 | Very high | 95.1 | Very high | 45 Ų | 45 | 70 Ų | 70 | 32% | 0.315 | 42% | 0.417 | S | S | . | . | trans | -156.8 | 173.9 | -176.7 | -165.2 | 0 | 0 | 0 | 0 | 110.6 | R330 Y332 D342 S343 | R330-S340 PolarHBondContact O-OG 3.23Å; R330-S340 VanDerWaalsContact O-OG 3.11Å; Y332-S340 WeakPolarHBondContact O-CA 3.44Å; Y332-S340 VanDerWaalsContact O-CB 3.31Å; Y332-S340 WeakPolarHBondContact O-CB 3.15Å; Y332-S340 PolarHBondContact O-OG 3.49Å; S340-D342 PolarHBondContact O-N 2.8Å; S340-S343 PolarHBondContact O-OG 3.34Å | ||
| 341 | G | 94.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 69.1 Ų | 69.1 | 19% | 0.186 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | 62.5 | -123.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R330 S343 A344 | R330-G341 WeakPolarHBondContact O-CA 3.47Å; R330-G341 PolarHBondContact O-N 3.26Å; G341-S343 PolarHBondContact O-N 3.24Å; G341-A344 WeakPolarHBondContact O-CB 3.42Å; G341-A344 PolarHBondContact O-N 3.25Å |
| 342 | D | 94.6 | Very high | 95.1 | Very high | 78 Ų | 78 | 66.3 Ų | 66.3 | 42% | 0.417 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -62.2 | -28.2 | -174.8 | -72.3 | 8.3 | 0 | 0 | 0 | 113.7 | R323 V324 R330 S340 | R323-D342 HydrophobicContact CB-CB 4.46Å; V324-D342 PolarHBondContact N-O 3.11Å; R330-D342 IonicContact CZ-OD1 3.17Å; R330-D342 IonicContact NH1-OD1 2.67Å; R330-D342 PolarHBondContact NH1-OD1 3.02Å; R330-D342 IonicContact NH2-OD1 2.75Å; R330-D342 PolarHBondContact NH2-OD1 2.91Å; S340-D342 PolarHBondContact O-N 2.8Å |
| 343 | S | 93.4 | Very high | 95.1 | Very high | 76 Ų | 76 | 64.9 Ų | 64.9 | 53% | 0.531 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -107.6 | 11.9 | -178.5 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | S340 G341 H345 | S340-S343 PolarHBondContact O-OG 3.34Å; G341-S343 PolarHBondContact O-N 3.24Å; S343-H345 PolarHBondContact O-ND1 3.46Å; S343-H345 VanDerWaalsContact O-ND1 3.11Å |
| 344 | A | 94.6 | Very high | 95 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.008 | 40% | 0.403 | C | S | . | . | trans | -60.2 | 141.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | V324 L329 G341 | V324-A344 HydrophobicContact CG2-CB 4.5Å; V324-A344 VanDerWaalsContact CG2-O 3.27Å; V324-A344 WeakPolarHBondContact CG2-O 3.41Å; L329-A344 HydrophobicContact CG-CB 4.32Å; L329-A344 WeakPolarHBondContact O-CB 3.24Å; G341-A344 WeakPolarHBondContact O-CB 3.42Å; G341-A344 PolarHBondContact O-N 3.25Å | ||
| 345 | H | 93.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 68.3 Ų | 68.3 | 33% | 0.333 | 44% | 0.435 | S | S | . | . | trans | -154.5 | 150.6 | 175 | 55.4 | -87.6 | 0 | 0 | 0 | 108.9 | Y332 C334 C337 S343 | Y332-H345 WeakPolarHBondContact CD1-O 3.37Å; Y332-H345 WeakPolarHBondContact CE1-O 3.47Å; C334-H345 PolarHBondContact SG-NE2 3.1Å; C334-H345 VanDerWaalsContact SG-NE2 3.44Å; C337-H345 PolarHBondContact SG-CE1 2.84Å; C337-H345 PolarHBondContact SG-NE2 2.89Å; S343-H345 PolarHBondContact O-ND1 3.46Å; S343-H345 VanDerWaalsContact O-ND1 3.11Å | ||
| 346 | T | 92.2 | Very high | 94.7 | Very high | 121 Ų | 121 | 64.9 Ų | 64.9 | 74% | 0.742 | 41% | 0.412 | S | S | * | . | trans | -79.4 | 0 | 165 | 53.8 | 0 | 0 | 0 | 0 | 109.9 | F301 L329 Y332 | F301-T346 HydrophobicContact CE2-CG2 3.84Å; F301-T346 HydrophobicContact CZ-CG2 4.35Å; L329-T346 HydrophobicContact CD1-CG2 4.09Å; Y332-T346 HydrophobicContact CE1-CG2 4.42Å |
Retrieved 346 of 346 residues in 180.6 ms
(Link to these results)